metabolite_name	7122	7147	7150	7153	7184	7238	7406	7408	7421	7445	7486	7496	7506	7547	7658	7662	7744	7759	7762	7776	7791	7843	7847	7852	7855	7858	7860	7861	7862	7870	7874	7875	7879	7897	7899	7904	7906	7908	7909	7910	7911	7912	7938	7941	7947	7948	7955	7971	7989	8095	8096	8101	8106	8129	8226	8244	8264	8275	8283	8332	8336	8361	8374	8377	8406	8441	8444	8447	8452	8458	8462	8464	8466	8467	8475	8480	8483	8485	8496	8502	8503	8511	8513	8515	8523	8534	8537	8550	8564	8565	8573	8577	8589	8591	8592	8605	8624	8628	8629	8667	8675	8683	8692	8696	8728	8734	8735	8746	8749	8753	8754	8758	8764	8765	8774	8776	8778	8783	8784	8785	8788	8789	8794	8795	8800	8802	8803	8805	8806	8807	8809	8815	8841	8843	8844	8846	8847	8849	8878	8882	8892	8894	8898	8924	8932	8982	8998	9010	9018	9030	9033	9074	9079	9126	9148	LLDeep_0001	LLDeep_0003	LLDeep_0010	LLDeep_0011	LLDeep_0012	LLDeep_0015	LLDeep_0018	LLDeep_0021	LLDeep_0022	LLDeep_0024	LLDeep_0026	LLDeep_0027	LLDeep_0028	LLDeep_0029	LLDeep_0030	LLDeep_0033	LLDeep_0034	LLDeep_0037	LLDeep_0039	LLDeep_0043	LLDeep_0047	LLDeep_0052	UMCGIBD00072	UMCGIBD00122	UMCGIBD00030	UMCGIBD00167	UMCGIBD00208	UMCGIBD00032	UMCGIBD00529	UMCGIBD00371	UMCGIBD00145	UMCGIBD00613	UMCGIBD00004	UMCGIBD00053	UMCGIBD00269	UMCGIBD00250	UMCGIBD00327	UMCGIBD00249	UMCGIBD00461	UMCGIBD00266	UMCGIBD00347	UMCGIBD00645	UMCGIBD00361	UMCGIBD00485	UMCGIBD00041	UMCGIBD00126	UMCGIBD00082	UMCGIBD00442	UMCGIBD00412	UMCGIBD00539	UMCGIBD00077	UMCGIBD00141	UMCGIBD00389	UMCGIBD00112	UMCGIBD00508	UMCGIBD00588	UMCGIBD00106	UMCGIBD00393	UMCGIBD00458	UMCGIBD00254	UMCGIBD00593	UMCGIBD00233	UMCGIBD00238	UMCGIBD00027	UMCGIBD00064
1,2,3,4-Tetrahydro-b-carboline-1,3-dicarboxylic acid	63.0097	62.714	308.907	28.3744	50.5728	8.41296	0	66.047	24.8839	19.0402	27.2566	197.964	42.9366	26.284	124.372	56.5733	75.015	55.2298	29.5339	0	116.467	25.9269	207.604	38.1745	103.389	165.607	218.936	153.929	149.403	0	102.904	0	277.747	92.272	156.231	140.251	93.0417	97.8738	129.836	85.6131	40.8567	155.935	13.9859	17.024	21.5924	13.3245	90.3147	58.1956	0	20.0763	0	99.8396	0	19.0002	0	91.9574	0	47.858	78.3617	175.966	32.7725	31.8716	13.4262	9.80975	73.9552	73.3236	170.208	106.498	64.244	97.6011	19.2308	89.9991	51.7742	97.0359	114.013	0	14.1885	12.9684	19.0166	0	0	27.4695	0	0	0	0	22.1016	19.0649	52.27	0	45.3563	138.82	67.812	55.4971	20.8088	0	0	191.841	42.2241	240.424	40.4561	0	30.1931	60.6054	269.786	130.284	24.7556	0	80.3332	21.8356	58.4474	30.7882	105.744	115.717	65.8969	0	0	39.8839	104.755	38.973	37.2878	94.6129	51.3168	123.696	38.7091	0	78.1571	0	0	0	0	35.137	0	0	0	20.657	0	0	31.4336	0	83.284	216.099	23.4179	0	0	154.974	60.1987	254.336	32.4754	59.8809	35.4172	141.294	128.247	75.1501	0	0	210.851	48.5632	95.5001	54.9686	111.19	154.474	0	180.242	51.6111	0	62.5672	361.527	0	29.5933	13.563	148.777	112.816	47.1828	0	10.5158	75.7383	86.9142	30.038	9.7653	252.817	28.6466	25.8502	298.871	39.9513	0	42.7873	115.452	24.7889	194.963	0	58.8531	29.8179	0	62.8283	67.2941	38.3166	83.3242	31.297	0	0	15.1662	103.057	191.588	36.572	21.6215	34.5765	98.1557	17.6314	33.4605	56.9787	9.72163	17.9061	15.7519	0	120.042	25.3383	14.1214	20.7304	0
12.13-diHOME	507.955	162.325	123.417	1027.72	566.753	147.648	4120.85	41.0762	931.189	273.897	2743.15	1342.91	485.21	702.694	904.689	456.799	45.3954	433.5	886.264	655.769	286.362	875.593	1509.47	1152.7	260.575	1491.93	1633.49	221.023	765.166	3161.24	356.969	2091.95	96.0652	2566.18	424.183	135.842	515.256	964.594	127.484	1221.92	919.591	193.994	255.187	392.573	133.254	1008.92	1009.33	1060.17	226.278	544.664	1454.97	845.412	645.43	453.588	358.898	659.263	1301.42	697.1	80.7371	354.434	243.628	2000.35	3459.37	369.122	587.345	294.049	595.671	84.0576	891.985	475.908	1387.24	2180.62	1253.84	1882.82	0	0	1283.45	773.342	1157.82	987.057	182.466	1763.54	320.044	1648.53	244.253	802.304	447.28	423.986	577.656	1555.51	744.081	0	1948.08	2618.35	910.864	286.637	578.391	172.091	167.172	220.054	438.239	1970.06	343.175	1793.45	271.505	151.524	6608.61	742.494	1978.23	1124.6	222.398	155.616	294.695	93.964	360.096	774.065	104.348	303.749	384.707	252.974	589.111	251.194	549.655	181.892	1492.69	207.905	99.6676	654.458	474.014	230.843	107.609	448.107	1265.76	775.657	2797.22	760.887	44.7084	1532.47	481.795	892.487	3024.1	146.296	369.406	69.7476	205.056	69.7883	3702.84	301.148	260.098	1570.53	73.5577	654.015	252.628	91.1345	319.086	380.829	1271.31	301.383	192.299	377.346	1124.2	48.8851	145.798	130.52	255.379	1606.76	740.315	326.2	426.364	1389.62	142.271	400.599	242.191	2510.85	525.337	172.471	269.907	1779.4	224.608	170.915	317.881	144.84	285.949	133.031	616.967	210.579	158.892	272.339	648.288	432.95	70.2397	309.759	137.601	480.001	621.586	85.8585	2551.26	482.585	82.4844	45.0663	760.512	1869.6	275.966	64.816	566.07	558.276	701.292	594.786	249.298	147.704	90.2423	306.986	1032.85	263.892	276.599	774.146	1188.53	2601.85	389.19	753.2
13-docosenoate	311.94	0	31.5585	48.5136	49.7607	43.6943	40.7194	15.2236	0	24.463	0	84.0313	24.9542	18.1762	44.4828	0	15.563	51.2329	0	0	45.5515	28.1787	0	16.3222	35.9519	0	0	0	15.8333	0	0	0	634.523	29.5254	14.5582	0	0	35.2866	0	0	0	20.708	0	29.2893	38.856	26.7408	49.5604	0	0	288.139	0	0	0	0	0	38.2359	0	50.8614	12.8715	19.6776	0	0	0	9.41466	55.7733	10.3777	0	0	0	118.622	48.207	0	0	205.458	10.7156	0	0	9.19694	0	530.563	0	13.7433	0	0	0	27.753	0	0	0	0	0	0	0	195.133	0	0	0	19.0971	0	0	12.061	11.7885	105.152	0	20.7191	0	103.168	48.904	83.6927	15.4742	30.7788	16.9574	123.264	14.6281	16.6442	51.5509	32.3757	0	43.2814	8.04577	17.8822	15.1712	38.9087	11066.1	0	51.0551	148.528	0	0	0	0	0	0	16.9685	17.5812	103.925	26.9716	0	15.8543	0	10.5345	35.3356	15.3167	31.3658	0	19.1125	0	21.8726	89.1291	15.7314	24.9396	0	0	45.2909	0	0	0	19.7337	31.1284	20.2391	0	21.0683	79.2296	65.5017	30.6409	70.56	58.5625	39.0776	160.927	0	15.4294	0	138.314	166.842	0	67.9938	0	69.7612	0	162.377	61.4151	23.0232	0	0	0	0	0	22.5731	77.2682	21.1514	0	74.3747	0	0	13.9126	130.005	10.2023	35.7316	7.73406	6.47951	0	11.5089	0	9.0564	20.9658	51.7434	0	24.416	9.2631	0	0	5.80801	0	163.918	308.373	22.7921	21.6407	0	1066.01	8.01575
2-hydroxyhexadecanoate	22302.4	14313.8	32732.9	18518.8	8320.5	282.857	729.921	25285.3	3150.6	678.141	224.689	13783.4	18990.9	24444.8	3936.23	5346.37	6497.18	7674.86	128.76	3034.15	19856.9	249.868	1241.93	9455.5	19726.6	12465.5	6103.72	8614.88	6746.51	2701.04	6832.54	657.348	1505.03	378.919	12591.4	3731.01	4250.49	1338.74	8327.96	3597.02	6563.78	5224.51	397.925	4273.28	22861	1414.36	9389.77	531.553	4021.83	833.859	457.574	30092	273.779	369.217	361.953	22864.4	326.671	1521.4	31401.4	39500.9	535.002	987.478	3682.99	2769.71	596.404	3733.99	3381.62	5275.52	1442.5	20553.3	1925.65	445.559	19977.2	1955.75	495.361	1751.64	1575.88	570.634	10184.4	625.421	4648.12	7238.89	6688.3	2630.04	5821.5	798.668	512.952	706.007	440.603	1310.48	1457.51	10384.2	2072.22	437.738	3237.66	758.139	8640.15	9350.16	1699.32	697.865	176.712	320.294	14095.6	1330.33	9549.98	48744.8	372.364	9385.47	2340.15	2975.95	29947.7	767.244	20222.3	9636.35	11542	13635.9	23320.2	2496.95	37256.8	12074.2	23385.9	18370.9	1160	11425.5	1859.97	22210	20449.6	299.448	1325.13	665.724	1464.31	859.698	448.255	4515.4	1272.73	948.15	2522.92	1534.59	1165.84	668.741	446.767	33486.9	1283.19	7921.14	13500.1	12445.2	458.224	18516.1	613.44	1605.47	15416.1	26604.8	20591.1	16082.4	570.361	2869.91	20639.8	8461.58	16378.9	7512.67	6609.13	4801.26	3665.66	6655.1	3480.06	8588.06	11653.8	18029	3090.58	3701.85	963.146	6543.62	3528.56	357.542	10306.4	1118.51	3836.76	259.817	6023.93	345.215	5462.28	2251.94	527.261	8449.06	334.61	704.053	2541.95	377.033	154.72	3805.41	289.501	4841.47	3219.52	469.677	9832.12	2765.62	263.573	15816.6	4170.23	481.001	456.874	1306.81	4201.1	8334.62	1896.24	3361.81	2574.58	4811.67	3175.01	4766.14	5572.84	532.496	1000.7	4125.83	179.099	14082.3	3932.04	1319.01	420.037	387.185
2-hydroxymyristic acid	505.271	209.747	511.882	269.578	142.497	19.4416	58.6616	363.353	55.2289	18.7469	15.9691	307.516	231.979	903.345	101.128	267.835	248.713	87.3344	18.8323	66.0991	432.737	23.8313	74.0903	164.155	413.929	327.812	167.974	458.972	180.887	73.2321	342.117	25.2412	205.419	31.4437	366.783	228.566	111.032	48.5215	320.354	116.046	126.79	122.523	29.5309	99.8717	478.778	53.4317	325.766	68.0603	80.9447	19.1955	25.2551	583.212	20.3814	23.4643	31.8854	367.591	17.3051	56.1184	910.335	2191.84	34.9428	27.5613	134.457	123.05	24.1257	170.716	167.374	183.922	77.8982	440.72	65.5099	28.7881	362.994	71.443	29.5602	154.2	45.7452	27.4062	216.595	23.7362	329.601	235.647	564.943	70.7657	99.7202	43.5643	31.7686	26.3251	17.5771	41.1419	50.9475	290.554	79.9291	34.0382	104.493	26.1502	231.357	142.861	95.5999	38.8269	16.6592	35.6521	336.778	59.5945	294.539	541.58	32.3687	635.506	59.1199	47.5009	387.212	43.7053	524.246	524.652	176.546	262.716	536.324	58.8622	724.121	209.239	330.482	293.68	58.8396	99.1293	34.9348	222.624	284.869	25.1884	32.882	25.7009	51.9883	35.3837	29.8509	98.3095	30.2213	23.9932	50.144	42.4662	44.0687	42.245	22.3087	626.534	27.0287	254.964	103.644	390.131	48.1387	360.116	33.8439	44.1897	207.646	297.726	245.344	305.73	46.8403	157.583	306.604	215.07	379.671	151.398	181.393	159.203	135.8	214.003	172.027	312.181	247.918	320.452	88.195	105.672	68.6567	141.125	149.617	27.1015	249.104	60.2258	128.955	23.4932	239.002	14.9445	111.944	145.813	21.4062	162.393	30.1975	26.0613	99.8003	39.4039	17.7264	209.977	30.056	181.212	107.679	46.6956	292.554	84.7464	17.4613	1261.85	98.3047	16.2304	21.6164	52.0449	160.088	150.267	57.7775	117.809	213.655	165.086	127.355	196.831	224.656	25.2019	78.1543	160.639	19.1749	288.235	174.358	53.638	23.0944	17.7816
4-hydroxystyrene	603.603	345.589	32.4742	185.238	801.631	0	0	532.358	1767.87	0	1176.73	0	0	25.9046	2211.46	48.9818	306.247	1511	1421.58	38.6447	349.841	52.2929	151.741	538.659	18.2849	317.372	1908.85	16.4705	27.9442	68.5789	32.0888	19.8462	0	746.444	42.8755	1069.47	1391.55	905.257	26.5629	18.2664	1315.48	37.1544	0	409.575	0	236.535	442.006	0	0	0	301.301	2473.66	0	635.344	0	0	0	308.846	0	0	0	255.724	1618.1	0	1487.45	0	0	0	0	500.174	3064.37	918.432	286.16	2062.41	1984.06	264.033	455.865	442.127	342.015	0	0	1062.68	0	613.01	195.832	0	507.067	18.1951	859.188	0	1151.3	0	33.1672	4.07533	1413.23	28.2307	957.736	37.489	0	1347.19	351.853	141.79	0	352.274	0	130.351	148.523	0	0	228.188	26.5657	0	0	14.5081	9.9657	53.2049	0	107.729	570.263	10.6491	0	24.6307	775.76	435.017	563.419	0	166.96	0	0	0	0	0	27.7454	78.2411	0	182.225	0	0	550.165	1215.84	209.86	0	408.091	178.357	0	0	474.87	21.8715	22.8585	2049.72	0	0	2860.94	156.995	36.8432	0	612.952	147.021	0	25.1811	1206	0	0	43.093	26.8028	0	163.177	58.6743	0	6796.84	11.5015	563.129	844.481	947.748	1687.8	24.9798	0	489.897	33.1708	257.727	374.139	56.6832	1054.88	737.27	1550.25	57.2083	0	525.251	653.156	0	27.9476	1156.66	1433.25	0	16.7607	24.6505	0	1140.85	0	294.755	470.022	2178.22	0	0	3722.72	587.102	0	62.2269	7.90518	0	13.5744	398.82	0	25.4442	0	0	0	941.569	8.39774	1469.01
7-ketodeoxycholate	104.679	58.5466	204.919	22.8219	25.3694	0	0	0	47.1619	0	48.3654	203.213	85.7964	45.5304	106.411	207.72	76.1834	78.5838	0	0	109.671	0	134.437	78.7521	169.589	65.6606	168.973	87.8139	96.6818	153.948	194.618	0	130.619	115.496	188.279	107.529	33.0454	37.5835	119.819	85.5947	83.6354	131.508	0	25.672	0	32.9042	164.841	0	0	0	43.5214	150.765	69.4257	51.6246	0	135.6	0	0	99.8018	215.496	0	96.8921	57.2908	42.8415	93.617	210.886	170.714	113.631	0	166.118	66.6173	39.648	77.059	98.6386	50.2714	0	76.8543	71.7532	23.0589	0	353.903	69.5651	220.761	136.246	0	0	0	0	0	0	55.1578	130.866	65.307	36.771	119.681	0	86.8931	61.8979	0	37.1585	38.1081	0	124.647	65.5844	238.363	67.9214	0	0	0	0	133.9	0	253.601	277.091	62.233	29.3199	36.0216	98.6354	117.493	110.64	189.694	104.388	0	47.5303	83.1999	211.561	25.9244	0	0	0	0	66.9741	0	30.4329	0	35.1106	81.8251	0	41.3881	44.0291	0	204.18	0	117.946	86.5705	61.7488	0	149.959	0	29.4835	0	35.5989	72.5649	66.4494	137.378	121.853	119.606	29.8385	203.986	136.178	181.846	60.635	0	100.796	112.837	81.1248	134.794	186.562	86.0722	93.7574	68.6566	0	142.874	37.478	0	46.3141	120.351	23.7075	49.6125	0	18.6527	107.648	0	26.0335	36.276	0	55.7425	0	51.4329	108.323	35.7247	87.4728	52.454	0	188.61	0	0	63.123	44.2347	0	0	109.366	75.7079	29.2808	69.8303	0	67.3037	86.136	47.9102	283.084	35.8492	16.7334	68.5729	15.7568	0	62.4441	52.7509	38.568	34.4281	55.6986
9.10-diHOME	568.94	614.399	762.135	408.197	485.777	76.7609	1354.4	60.0387	1164.91	280.01	399.088	705.899	140.106	549.65	803.139	132.962	767.908	998.973	490.612	786.063	252.864	1013.86	1383.32	863.073	153.122	1017.12	930.774	12.0025	875.829	1840.2	926.183	1335.26	260.847	1270.46	230.889	161.783	517.854	1123.67	127.036	2611.29	737.237	1284.61	249.923	441.514	285.366	441.549	1665.73	1164.32	454.236	287.989	662.085	651.097	681.359	254.448	0	454.811	540.95	488.086	182.399	193.402	414.65	943.75	2166.21	290.268	463.541	200.189	64.3401	715.327	366.536	226.734	955.645	645.112	1184.84	1852.8	2139.65	0	967.336	477.603	702.997	1066.85	69.5373	1182.89	249.427	2430.62	204.355	304.45	532.537	421.335	476.115	556.136	217.068	430.889	1555.87	1027.99	619.11	128.747	532.471	51.8972	146.648	144.73	1040.12	575.023	1250.91	245.861	3.47394	263.313	4707.05	392.514	1184.19	853.769	451.336	97.6811	437.775	268.079	264.674	1448.04	40.3503	234.493	84.6487	178.198	281.831	384.369	648.772	210.735	1444.75	220.107	498.726	882.329	340.862	265.742	128.14	243.461	1095.74	537.759	906.944	759.306	80.8601	725.509	292.712	1644.74	2613.08	105.669	329.218	83.3908	121.168	92.6047	926.855	86.6767	148.112	666.184	709.779	387.936	57.0758	0	0	382.281	2124.28	278.565	697.57	2076.5	1886.06	546.577	71.7262	2392.66	1186.36	1203.27	764.047	646.175	1383.87	1224.11	222.071	828.834	141.825	640.164	480.476	350.429	3256.83	972.767	437.792	2536.41	539.425	171.393	304.251	36.3949	388.96	149.574	280.56	175.099	810.149	403.14	33.528	383.957	253.134	391.733	328.327	450.138	1477.83	456.497	537.998	53.2773	1111.13	947.852	568.567	311.564	557.14	285.605	695.392	905.72	425.054	982.202	482.88	200.191	1128.24	2166.7	691.333	542.338	597.592	1838.92	560.681	325.674
acesulfame	108.924	299.416	0	67.7737	353.968	0	0	16.2127	186.986	374.032	0	89.5255	0	15.7724	195.029	247.21	9.66965	2313.27	389.118	2185.39	108.496	2007.63	4510.84	0	0	30.3298	0	0	146.574	309.7	214.222	0	0	509.566	53.9701	0	114.142	29.3021	0	0	0	587.067	0	17.1112	49.8232	3035.41	0	598.569	347.278	54.0347	0	1526.26	369.953	0	91.9699	0	26205.1	2662.66	0	0	0	0	114.214	0	0	143.101	0	0	0	156.875	0	0	0	0	0	0	2120.15	69.3832	0	0	0	0	71.6313	0	5055.49	3936.29	2689.83	0	19.6778	0	0	0	0	0	621.578	478.742	340.94	0	0	153.355	85.8689	0	20.4875	0	0	27.0402	0	0	79.898	0	330.595	0	0	0	0	0	0	0	20.1286	0	0	274.867	132.35	14.1911	391.345	100.162	0	845.843	0	1819.74	0	80.6962	3073.83	2866.59	0	0	0	0	60.8638	3009.72	3582.95	0	150.463	0	27.5002	0	1871.1	232.681	0	0	0	0	0	0	15658.7	0	0	32.7479	0	543.892	13.0666	356.543	0	0	432.065	0	0	0	15.8941	154.046	0	27.9297	0	0	6295.89	35.0479	954.348	1700.67	391.285	0	0	0	0	0	50.5455	12.6388	0	0	161.116	0	1882.85	358.577	30.0336	0	0	0	0	0	7.47524	149.144	2939.2	0	0	167.913	0	81.6524	2911.84	115.993	0	97.3157	53.8761	0	42.1804	0	0	0	0	0	0	40.4591
acetytyrosine	32.4396	12.8977	0	0	32.448	349.777	0	49.168	34.7299	640.061	300.3	62.0662	0	17.1514	28.0208	127.958	38.2657	49.2251	26.7142	45.4408	48.2376	450.063	177.639	43.474	140.507	51.5455	95.2103	76.8605	99.8776	436.537	181.236	138.047	114.687	118.936	91.2545	111.48	36.7307	0	228.098	124.076	58.4897	142.402	442.968	36.5991	15.4104	431.136	156.395	93.671	35.1377	21.7698	103.89	67.556	101.892	364.307	23.2065	33.7856	0	150.216	47.5574	26.2702	44.4588	80.8133	684.714	113.014	15.552	289.257	187.7	47.3249	27.9536	93.6819	31.3538	128.753	33.889	157.889	229.819	113.057	28.3106	226.594	34.8732	55.5632	201.37	194.769	301.543	19.9768	205.318	27.0742	375.641	110.656	14.6877	69.4052	73.0117	118.765	257.275	44.1553	11.5995	520.625	52.0706	70.7131	0	61.6378	57.6667	51.6631	30.9405	0	48.5827	14.471	0	0	34.9622	15.0079	19.388	43.6097	80.9372	26.1308	38.6666	692.378	38.7056	11.7595	13.6546	20.7606	0	57.1382	22.165	14.7791	44.0773	76.659	0	160.237	24.9383	134.447	44.0794	36.5256	75.1684	15.1012	38.0127	17.8599	0	36.7052	22.1646	40.7149	190.37	70.9954	20.7814	16.856	95.2184	21.2505	86.0599	30.2734	34.3358	0	0	42.2355	37.2187	0	66.9816	352.987	641.355	12.3697	213.745	304.4	240.872	401.352	87.2635	350.485	325.904	216.05	200.251	190.099	84.493	307.571	59.4303	252.96	183.679	117.384	90.6384	137.651	321.198	200.078	51.4549	51.1004	43.5391	28.2711	299.176	91.9125	45.5509	25.2528	30.745	991.889	89.4238	111.888	78.1895	159.982	43.8024	28.396	38.4757	13.0156	50.2018	360.334	12.7157	87.0797	481.949	40.3619	207.867	24.5934	259.443	58.3546	167.811	47.1959	47.4471	197.695	35.1913	34.1169	46.219	92.7834	165.372	95.2549	247.149	256.357	39.5552	78.4486
adrenic acid	1564.25	0	326.695	145.656	316.818	1445.87	84.6033	289.225	95.7947	109.97	467.742	110.88	24.279	212.502	32.6908	0	24.3742	226.695	15.497	171.065	286.44	526.212	34.2853	166.048	22.2611	35.357	50.859	0	0	54.4988	21.5183	1495.42	0	79.2839	71.5215	0	9.71701	22.4761	0	0	120.954	0	249.284	634.797	611.521	535.836	4.29822	22.2303	81.1552	709.886	1379.75	30.3622	1265.39	617.039	604.873	100.454	103.58	970.677	30.2519	78.3672	291.915	245.595	518.124	712.425	46.3393	34.0069	0	23.2858	1047.42	169.358	596.669	193.463	614.902	148.704	15.6851	2845.5	324.015	1194.6	146.529	2433.9	0	611.579	23.2329	78.5827	2315.93	212.703	89.1762	931.629	195.637	593.509	73.2643	48.9222	41.7796	322.795	150.635	3564.45	169.389	84.7574	105.519	60.0025	676.154	757.338	15.5894	69.5169	0	91.3611	27.4628	64.1597	142.775	438.491	0	174.152	0	0	133.787	1.35973	138.446	159.006	51.2361	88.3458	36.5674	0	80.0266	110.491	279.192	34.8079	0	1086.81	1450.25	477.651	173.374	401.691	377.642	1577.95	50.5687	281.131	415.863	160.905	898.233	373.048	121.028	16.5367	1292.02	0	456.036	0	212.18	19.6496	72.945	207.013	46.0248	281.95	0	37.521	181.546	0	84.4831	22.1213	36.7187	0	2.17353	0	0	71.2209	39.5395	154.293	58.4796	25.0139	13.8866	13.3556	0	39.871	0	628.167	29.3805	0	43.6465	107.052	28.2518	425.533	152.403	0	180.276	197.931	29.3839	102.358	0	1671.22	133.974	0	700.321	13.3611	12.5052	170.087	128.023	412.638	84.417	21.8982	12.7242	201.454	155.486	136.138	0	54.563	50.9287	231.22	0	34.5309	61.7288	20.9403	182.646	174.743	22.2388	51.8218	633.083	178.886	37.5265	740.226	44.3591	127.831
alpha-linolenic acid	1119.99	537.849	1794.11	322.135	305.804	242.649	202.656	15.4604	557.688	513.069	3339.28	501.132	269.473	214.269	938.553	51525.4	39.4243	306.259	5735.54	181.179	508.908	503.927	490.217	326.938	38286.1	1741.28	452.549	246.276	482.829	1985.25	1406.06	135.067	3107.11	1391.33	419.352	261.583	2292.55	498.06	158.424	512.394	4855.64	582.844	170.151	1290.3	96.8903	344.44	425.118	783.356	584.149	755.868	76.998	657.894	255.833	1957.32	3665.43	808.164	3377.83	4892.77	1965.26	381.714	446.251	51.414	203.621	422.272	2411.3	4604.22	76.7066	23967.7	148.928	156.019	225.584	543.351	4483.87	1262.14	735.116	0	637.708	263.63	762.12	616.862	103.282	267.73	57.8338	1957.37	47.2639	145.397	2191.55	67.0044	76.8339	186.396	571.518	50.8844	2964.47	412.834	214.843	63.0686	6622.93	225.87	81.3782	122.326	434.315	4154.9	1587.17	614.256	236.7	17.2557	2067.74	1442.15	378.196	2027.4	129.114	0	607.299	10002.9	10456.3	414.637	161.083	464.092	560.357	3305.56	63.7526	402.591	3502.56	6826.69	53.8656	256.092	439.175	1424.8	2939.46	924.511	168.034	89.9607	17.3217	65.7269	241.836	429.831	45.9752	1054.16	76.5185	359.75	339.855	166.277	65.2237	1367.44	77.064	38.7991	1825.79	345.535	170.497	252.189	39.2409	58.8586	249.078	135.978	210.048	469.618	1767.81	32084.4	1356	8945.85	5418.18	3363.09	12201.1	13976.5	8461.29	1770.18	754.446	856.645	494.832	12059.5	13753.6	5003.91	4394.51	1444.38	3451.88	129073	110.339	1624.27	9009.3	2087.81	438.184	25036	356.254	7779.66	1626.98	184.614	5118.09	145.349	1988.8	252.23	779.332	4551.13	50929.9	1010.64	151.074	329.493	1294.56	484.696	93.2029	278.267	52.297	774.3	1212.83	212.965	5779.49	1820.63	9883.95	7289.35	235.703	113.955	371.512	294.833	434.876	8177.1	7511.26	549.293	4882.99	1723.49	848.673	15506.2
alpha-muricholate	51.2708	30.878	0	771.302	505.462	14360.8	2203.29	2879.63	3009.6	9042.52	240.09	1833.42	841.508	605.965	131.987	48.8503	1505.09	5213.71	4658.18	11459.5	0	11830.4	573.648	430.456	16.7204	1864.6	389.472	53.0783	48.3129	786.798	0	3928.28	49.6267	112.357	182.74	35.9004	23.5085	9689.91	62.778	1180.06	403.843	0	7305.49	500.836	20600.7	2012.34	362.392	0	26290.6	17341.3	2048.69	36.4571	40.9916	340.502	510.386	81.4965	0	7152.95	28.8178	411.444	0	1571.31	3665.08	563.11	1978.14	51.8982	26.6428	0	0	198.42	3117.34	2536.48	605.253	3267.16	0	0	12141.6	253.912	2287.23	477.925	0	1477.13	30.788	0	271.69	40.8767	13505.5	13183.2	6381.56	475.463	26.2343	0	240.79	1808.36	645.066	761.892	613.597	0	0	2110.88	2811.53	755.537	130.19	157.973	35.4099	42.4869	336.536	0	15391	14194.8	20.3432	12155.4	47.5828	43.6342	0	19.8289	71.644	9499.2	0	458.032	0	24.1992	474.379	567.234	3119.84	36.8944	0	1473.69	0	39741.7	7706.93	21801.3	8488.13	446.353	764.838	2458.84	123.391	3049.08	7890.61	4741.86	18838.2	30.6309	5246.02	47.4969	3180.37	0	278.052	35.302	8167.68	8961.82	35.5195	686.656	386.223	1958	511.58	31.3007	988.302	159.28	20.3489	26.8665	87.2018	37.0432	194.491	26.4747	25.0376	1018.12	217.499	16.9737	158.085	146.392	15.1022	171.122	34.1708	10120	480.476	63.3392	0	18139.6	0	7867.12	14.8467	0	10664	54.9417	2303.85	21189.9	25.9831	3724.1	478.747	771.883	162.667	37.8631	872.083	482.747	305.212	18.7753	3011.15	2717.51	27.0702	7514.81	28630	2863.69	0	51.3209	122.894	19049.5	26.0934	45.2145	2051.13	14.8455	0	1937.43	364.846	323.298	92.1972	27.1466	785.244	6156.79	265.652	2380.87
arachidonic acid	2755.37	237.613	6237.37	692.37	2314.71	2271.73	4525.04	494.67	893.767	660.095	10506.2	2173.1	974.876	958.88	640.39	229.73	429.322	1278.01	818.051	3080.61	408.036	5043.02	2025.24	3757.12	1048.77	1262.07	451.53	300.91	239.269	426.054	654.276	19142.6	197.265	1913.28	458.733	286.517	517.298	704.055	110.765	672.625	412.118	398.127	2715.26	1149.14	3724.39	2421.04	750.988	1228.28	1190.22	425.286	20377.7	1092.59	22746.2	10409.4	14016.7	718.712	2740.15	10948.7	602.722	1631.35	14857.7	773.51	594.809	481.381	455.241	1405.89	1344.53	634.413	18380.4	188.899	13522.6	539.487	4158.73	1926.47	459.443	39954	2059.87	962.814	1598.54	42288.6	235.15	3208.24	330.133	408.826	37695.3	7458.67	648.123	9767.3	156.484	23043.3	1339.09	973.129	703.391	2978.32	1248.43	37495.8	891.214	1500.49	4439.38	210.877	623.532	14139.2	777.53	2870.9	283.539	2092.03	1155.38	4295.52	688.05	6331.7	490.98	4295.46	284.465	1665.75	2126.14	104.255	3058.62	1993.7	603.477	2111.84	737.091	282.65	6544.51	839.455	2192.28	806.797	199.747	10874.8	21330.3	1007.19	1469.38	3004.69	4016.41	2553.8	2380.68	1375.46	826.934	4997.63	9460.76	9529.74	2116.03	1094.85	11254.1	199.893	7163.11	567.14	3344.29	670.435	2164.52	786.921	861.396	2089.94	262.958	2440.72	1002.99	357.6	2061.94	278.841	1787.92	324.931	538.617	323.575	781.983	1310.45	667.869	1915.21	1363.81	1016.3	450.775	747.146	601.371	1031.22	201.058	731.363	1096.68	342.28	1084.46	1208.99	1064.38	5345.41	3032.65	492.403	2113.75	682.072	509.477	558.703	422.561	30983.5	256.99	391.843	12399.8	776.132	545.465	6566.21	1101.11	4209.18	3347.05	441.462	292.346	439.836	5952.06	604.258	162.459	1451.12	833.272	2836.85	350.266	1440.62	1563.28	816.108	5382.36	1931.44	601.839	2033.7	12752.7	2460.53	866.142	11116.3	786.708	1346.12
azelate	1311.24	641.329	3488.51	235.188	667.264	84.0336	134.271	323.453	1203.73	233.181	502.258	1892.69	367.619	329.144	1914.53	6002.34	1828.15	1063.36	411.827	237.795	2160.42	288.487	1810.59	646.665	7929.34	1315.41	1750.66	17593.4	2182.24	1441.75	1906.24	290.06	22213.8	1541.19	1681.11	3010.74	718.032	1155.93	9773.68	8567.89	895.204	3017.88	981.477	1075.03	487.964	196.441	2230.97	1625.32	222.299	603.175	329.737	4657.36	644.012	510.106	171.826	1898.78	151.957	897.679	339.207	1101.22	210.119	1509.8	400.52	936.403	872.719	4531.14	13139.2	1728.44	711.137	1665.91	600.768	521.311	1259.84	1960.4	1320.48	1029.53	414.711	632.169	755.615	98.4243	16613.3	955.771	11846.4	2545.13	391.203	79.4523	253.738	855.205	534.925	641.729	1284.17	2080.18	2381.49	464.497	492.064	215.148	2053.68	4817.57	487.177	968.318	627.556	252.561	1022.97	541.462	8288.3	1313.3	360.542	223.501	216.994	427.532	1127.78	90.1859	2927.04	2973.05	757.841	484.631	2745.67	122.641	1974.48	765.681	1227.87	2581.86	857.675	694.843	995.088	2623.8	516.341	281.736	133.644	504.003	127.479	183.408	154.104	84.7117	151.67	281.67	1032.18	868.557	169.887	983.783	874.082	7200.23	296.275	10898.9	185.922	2591.74	312.399	2567.87	141.363	218.507	326.794	424.342	989.564	388.326	1013.34	7387.63	4230.74	1755.34	2270.27	4697.86	2465.13	5687.84	12298.8	3887.84	2269.59	1132.75	1869.34	2200.67	1568.69	1101.16	4475.43	3259.23	17363	1196.3	1184.03	4823.31	1488.58	1585.25	393.093	594.57	345.578	17410	362.937	435.303	1184.59	111.932	1117.37	1387.18	1106.4	1103.11	359.026	857.781	869.609	220.23	813.347	455.716	139.481	1252.06	325.717	220.57	396.323	631.82	5807.29	820.847	653.731	306.647	928.101	1282.44	534.916	9318.69	571.56	356.072	668.227	747.15	167.078	1773.27	1268.02	565.812	883.979	706.161
carnosol	22.162	274.862	327.807	267.64	0	0	66.4396	0	313.263	14.0662	983.762	21.3156	304.592	392.361	0	634.969	257.077	393.291	116.851	0	0	0	4352.28	37.5575	26.9367	592.622	159.077	62.2224	221.347	361.934	588.955	0	4588.07	32.2532	613.402	515.293	46.234	579.87	77.0088	123.183	142.844	1651.16	0	0	1019.71	27.1361	913.158	12.6811	18.4573	0	0	111.667	0	0	0	90.9964	0	107.887	1972.45	134.672	0	29.4959	0	0	34.1191	76.5739	539.946	60.1721	0	49.2333	155.323	803.133	1364.3	49.9754	55.5959	0	60.4492	0	0	0	366.684	165.045	0	0	0	0	0	17.8088	37.1837	0	917.711	713.953	257.987	8432.74	50.0495	0	0	84.8895	43.3872	0	115.322	12.269	432.074	768.202	77.0028	189.391	9099.66	25.8074	0	272.67	857.954	0	4963.99	183.162	429.216	769.047	195.576	31.3586	119.181	46.8795	2339.77	277.123	280.685	65.0522	66.7575	56.2346	0	0	105.577	93.0734	0	55.9093	34.6981	0	77.3819	0	551.266	0	118.832	56.362	230.881	40.2546	69.6079	42.0142	0	177.57	0	50.7717	0	0	87.3296	155.017	0	122.137	0	1397.51	31.1022	254.205	2505.52	515.998	3318.96	121.716	189.773	649.09	110.58	154.743	384.066	121.877	407.006	153.042	319.275	155.751	55.3015	81.7119	391.089	39.5301	137.282	284.566	1130.7	0	636.499	608.36	203.2	0	649.324	0	69.0591	0	206.664	0	0	226.823	110.562	0	107.256	0	0	42.4515	42.6977	0	42.0358	140.673	1679.31	252.237	818.232	13.8245	0	1100.66	522.395	1343.31	812.342	7.9714	0	0	0	1251.48	22.2666	15.7296	1061.73	770.488
chenodeoxycholate	0	0	0	1662.89	408.363	4134.9	4647.9	2443.67	3053.23	3481.2	1217.13	115.667	2658.16	342.101	1101.49	0	0	1845.93	2465.89	7771.34	0	7925.76	559.303	718.892	0	2119.72	0	0	324.57	2293.57	0	3040.05	0	2759.45	0	0	0	5606.55	0	0	879.313	15.8385	9527.57	919.102	7955.75	0	330.564	8371.41	20293.8	6820.08	5803.47	183.75	65.0602	862.651	4115.51	288.837	5742.28	6315.68	0	0	17018.7	1890.35	1113.31	182.03	1552.19	208.857	0	298.96	3907.73	0	5435.15	3243.17	825.229	2577.95	155.187	0	4619.73	1074.02	1025.67	3478.47	0	290.045	0	0	454.682	6785.22	6602.75	6721.28	4348.33	20695.8	360.852	0	835.16	3377.6	1557.77	4478.1	563.209	0	9130.17	499.871	2712.94	1793.34	350.855	289.054	0	0	2315.75	137.793	13384.8	5215.85	0	2741.94	13.468	0	0	0	0	5005.63	0	812.166	0	0	152.134	0	3671.85	0	0	6722.71	12880.5	10058.9	8047.4	13521.6	14061.9	305.006	6791.64	2761.61	56.0045	18606.3	3877.53	5922.05	7243.04	59.9213	1963.4	0	1294.02	0	1154.04	0	6038.45	9731.21	0	1461.25	468.444	3464.61	895.454	0	224.274	0	0	0	0	0	0	0	0	638.158	1147.01	0	299.561	603.372	0	219.186	0	5106.15	3568.32	205.266	0	9256.57	688.855	4524.76	77.6016	0	5074.26	204.501	124.639	9965.73	0	2231.84	33.667	0	106.685	341.133	0	16631	280.085	0	7244.89	145.451	0	2427.96	10700.8	2270.67	0	190.824	165.38	8392.56	0	0	0	0	81.4113	534.356	102.834	163.765	6238.03	0	171.961	7961.02	115.561	2892.68
cholate	502.463	90.4955	270.203	2467.31	2213.28	26054.2	57455.7	17242.4	16221.8	24456.5	2076.28	1100.27	6275.72	2905.92	4277.45	601.228	428.544	16369.5	28089.7	45175.8	82.672	29541.1	1714.54	4466.97	603.699	15431.6	303.601	1058.11	1208.67	5845.96	194.237	27168.4	290.973	3688.45	160.931	304.041	2712.17	30896	3172.36	420.543	625.674	246.095	48499.4	5015.27	34890.5	911.221	2989.44	39454.2	72626.7	26697.9	32399.5	1178.09	697.796	4819.63	39659.3	663.052	34305.5	30255.4	715.65	3473.46	67391.9	6066.32	7704.32	740.104	8193.25	1056.06	186.76	1124.02	63262.2	703.332	16725.8	17879.1	877.826	11694	950.381	623.26	30420.3	1779.18	1799.37	22917.7	145.862	1182.57	167.589	283.121	3271.44	34331.9	48148.9	49611.8	21740.1	87392.3	2759.66	286.919	8481.79	14857.5	2861.59	27637.2	737.602	276.981	63387.2	3086.37	16221.1	7588.34	1237.57	1579.51	506.196	675.806	12113.1	3378.29	52075.4	26917.7	421.007	47809.6	659.004	421.14	145.446	408.686	339.868	26677.4	270.695	4515.45	195.873	476.486	750.536	323.009	13973.5	827.878	159.991	36145.7	55925	53032.8	80467.8	70130.1	74711.8	2282.14	71821.8	13863.8	1086.64	84989.2	27661.3	54136.5	42195.7	623.467	30888.2	337.488	20072	1240.41	4647.45	1243.34	40869.7	41324.9	65.5645	3861.08	1963.05	20363.9	4931.69	872.869	448.465	292.482	712.298	283.893	2348.06	236.369	868.159	1333.12	192.563	1785.46	2342.64	285.214	363.142	4487.33	321.202	4834.47	384.953	26400.9	25661.9	1608.06	323.67	37974.6	1780.51	19746.8	139.814	105.639	37201.8	579.877	537.477	42428	126.577	27301.7	185.187	130.041	559.641	966.967	135.034	72571.2	1861.91	153.366	38803.3	1713.79	302.918	17764.6	50533.1	9478.39	870.78	1579.34	382.918	42547.8	2044.21	1318.75	1572.52	346.694	288.62	4392.59	424.031	747.723	28388.9	227.092	374.44	33630.5	516.952	13352.4
deoxycholic acid	67599.1	32517.6	44962.8	40411.9	58419.2	90.6133	124.433	55712.6	31893.5	32200.3	33620	50469.2	35301.2	42222.5	69977.9	52197	45022.3	56181.6	16.0039	57798.3	43314.3	95.5533	15155.4	66763.4	27939.6	50384.5	46062.1	44615.1	46310.3	35143.4	41171.2	28871.2	48211.4	48388.9	36725.5	40664.5	44353.6	39129.7	59353.5	50318	48119.3	19402.6	66478.5	44762.2	147.205	39322.6	92330.1	0	231.853	98.4084	3236.54	40581.4	49443.1	30749.9	858.619	73890.7	69.3639	28314.5	71596.1	52931.3	0	45510.9	42200	33469	56048.9	19965.9	42081	36564.2	185.842	38981	41058.3	38256	43954.6	36660.1	58042.5	1372.49	41838.5	59418.9	41638	5988.06	51402.9	65442.5	84016.2	50695.9	4795.35	180.575	79.4496	3268.16	520.7	0	42605.2	47154.3	62261.5	35325.8	37912.3	6936.53	53567.4	26904.8	186.101	33595.7	44747.8	24900.9	31170.5	4776.82	36030.1	58833.6	24854.2	387.475	157.658	20256.8	58320.8	114.71	12781.5	36752.3	55601.4	33181.2	42741.8	35635.6	58996.9	45845.1	85670.1	41972.8	64708	38875.7	52354.3	61627.1	24283	3644.02	59.5232	150.61	114.857	8865.35	40467.9	50241.7	27342.9	28263.1	18391.9	0	45147.9	11489.9	23849.7	23274.9	47807.6	49476.2	57.9639	45574.9	7305.02	56486.9	83704.5	1285.33	26352.3	19803.9	75201.3	102518	80980.8	38013.4	40894.7	28835.7	53070.5	56131.5	56113	77843.5	49330.3	54337	52541.5	75257.1	65946.4	61049.8	21766.9	40311.6	45923.2	59357.8	37219.3	17606.1	63995.1	13226.7	61071.8	1281.58	41543.1	25807.1	25733.9	39547.6	36300	62403.3	35986.5	0	31806.6	100.227	31600.2	27554.2	8242.2	40726.8	23865.8	0	44193.1	6266.06	11455.8	56232.9	34488.4	30021.3	616.441	40402.8	62370.8	50400.8	13985.1	30042	71679.9	41915.2	43278.8	71142.4	3515.94	26581.4	43310.2	28147.2	0	40172.3	51937.6	8223.77	39064.8	24783.3
docosahexaenoic acid	12086.4	234.76	1407.71	5532.83	2165.76	966.892	2348.97	106.216	224.375	169.094	6836.95	1010.3	628.392	373.231	350.912	110.27	166.821	957.008	1150.52	1240.08	1591.28	15456.2	630.915	4978.79	517.955	941.712	264.137	118.256	258.89	169.153	258.132	4111.51	106.388	678.145	246.795	135.816	1144.62	2577.03	83.8856	472.855	245.647	138.994	1539.3	503.968	1163.39	1841.8	464.421	555.07	729.283	865.429	13048.6	234.492	8431.36	9906.17	18092.3	720.275	763.351	5239.44	131.483	1693.21	9121.63	355.314	432.949	154.326	362.975	281.634	683.699	309.83	4429.1	181.824	33058.8	221.59	2202.63	7312.03	1416.2	7707.93	509.446	277.97	1745.35	14361.9	121.632	6393.07	981.354	682.12	11329.3	1519.83	166.567	3861.15	106.038	9134.05	821.891	353.866	464.223	3374.87	867.448	7250.6	285.717	542.397	4270.58	133.189	345.258	6526.55	132.257	3656.89	191.145	396.988	1767.8	5383.65	253.087	1524.77	637.263	16970.7	329.442	430.983	196.911	103.669	493.28	1293.59	393.732	489.408	412.386	112.907	28843.9	247.985	465.586	540.931	131.491	20179.9	8366.26	577.682	578.439	2265.45	1027.9	1864.89	2659.36	477.65	1947.3	2242.51	2586.13	6024.43	483.473	285.787	3152.63	99.6971	712.777	264.172	1099.91	148.213	10881.2	366.927	258.737	608.291	791.393	4398.04	185.667	743.779	2574.91	164.796	873.784	181.435	369.292	190.982	434.481	1693.89	338.488	1250.29	512.575	565.719	216.958	839.196	171.288	292.56	94.508	2120.53	203.598	164.208	452.068	374.857	301.876	2465.33	875.615	341.493	472.971	1411.94	322.486	383.911	221.951	4501.32	140.253	201.944	4810.74	1066.58	481.113	2255.7	341.78	25918	2068.72	3309.96	274.463	173.719	1154.05	859.023	46.353	526.224	334.158	4704.32	198.415	423.3	334.742	418.608	1281.87	1540.95	223.087	2125.49	4339.77	422.649	1756.95	5911.89	469.483	450.723
docosapentaenoic acid	17900.7	25.2904	256.7	1491.29	1094.9	4877.13	362.575	1333.59	426.543	596.175	612.979	330.106	72.5132	490.183	54.2708	17.7988	43.9018	598.89	181.819	181.405	1722.04	1609.28	68.062	1201.5	82.6253	122.583	341.076	23.5985	20.0888	750.551	52.3194	1858.23	0	151.588	115.799	25.3662	114.74	164.065	0	16.7344	564.236	0	957.509	1348.74	2200.38	2398.82	54.0722	48.5816	675.367	5594.72	1942.01	51.3517	4709.66	2664.33	1701.15	281.357	155.278	1354.54	51.1654	593.664	1031.39	763.062	3917.98	1479.55	257.508	46.7907	45.3954	85.312	1394.77	1198.15	4145.82	786.838	1135.55	1445.91	101.061	1772.69	924.601	2696.03	1201.63	4503.59	0	4091.42	106.874	188.391	2771.76	1009.63	560.118	1920.74	419.547	1019.38	220.056	122.233	67.3394	2173.47	301.241	2164.1	657.787	138.327	218.432	329.67	1432.64	1791.64	43.822	236.201	33.7967	93.3237	73.883	420.15	508.459	693.61	61.5352	3415.26	29.6025	23.567	176.032	32.1304	113.027	1621.97	129.373	95.8818	72.4335	14.8022	2089.4	398.607	465.073	66.0456	21.4563	1609.84	1156.05	2967.87	376.969	1035.42	320.485	4481.34	110.132	587.175	3384.27	163.75	1408.14	534.411	143.866	53.0612	2056.84	0	490.561	27.6614	464.262	39.1824	334.956	1070.38	39.5497	471.836	0	270.073	285.21	35.2856	210.4	47.4571	103.53	33.6286	17.8898	0	29.2946	370.525	109.167	581.199	179.667	88.7749	37.7478	70.0149	28.2164	74.2752	23.3719	4213.07	61.999	35.0323	122.469	354.943	156.09	1227.66	523.979	30.7618	616.385	661.762	279.328	1432.93	27.1303	2038.65	345.599	22.7305	1251.3	122.778	43.0238	1089.07	123.866	6600.13	257.897	392.699	30.3146	994.579	633.807	611.119	19.5198	107.087	78.0848	2090.01	38.6417	82.9999	197.668	37.6947	275.231	1317.96	191.605	261.946	2189.5	379.865	354.02	1438.52	204.94	637.357
dodecanedioic acid	85.4941	68.2156	57.6006	29.4696	69.5616	14.5927	57.2965	35.5413	73.2462	27.6434	35.6173	88.5635	65.3271	34.6497	181.176	200.85	118.688	62.5094	73.5288	32.0646	151.744	58.0839	272.244	63.5677	1073.98	88.9652	260.354	1616.78	224.257	138.313	143.221	56.5316	5316.09	208.884	157.51	166.032	68.2279	77.9663	2834.17	38.2139	85.7479	235.547	34.839	34.0441	25.074	31.2084	135.688	49.7456	47.8074	27.8145	33.8993	795.134	29.6948	26.6596	79.645	324.481	22.4573	36.9627	54.7568	239.451	20.8387	55.2669	31.1023	88.3144	78.678	318.409	1991.37	62.4942	57.1583	92.5329	66.6248	46.7056	45.1942	141.179	250.223	257.01	45.7064	56.2648	47.6766	40.4262	3559.37	120.518	788.428	153.889	116.344	34.3806	30.8837	51.977	28.9481	32.0688	53.5928	224.79	129.862	47.7589	41.0559	36.1506	79.3733	165.695	48.0253	45.0075	30.4118	21.257	234.12	75.0659	1028.2	40.225	61.541	67.265	38.4426	68.1388	48.8455	35.8254	106.499	215.005	104.802	87.8218	454.659	89.5241	346.474	259.672	175.18	166.887	386.171	135.137	59.6585	3932.22	52.1152	41.9249	74.8106	37.5442	36.1836	29.6894	45.582	0	25.4081	66.6633	41.4363	45.4227	50.2144	112.487	29.1183	1315.75	46.3971	1284.66	50.3579	732.872	28.6581	338.189	68.6345	37.9424	16.3257	53.0853	83.4928	36.667	185.044	355.541	157.86	46.33	120.57	487.677	0	638.574	1139.72	313.572	595.799	125.784	163.209	63.8432	104.527	144.872	1335.18	254.344	1103.78	90.5421	44.9628	264.248	206.28	40.9659	119.587	17.6414	46.954	1582.41	41.3342	41.3115	129.753	43.3004	0	44.7055	49.287	71.4159	49.5829	79.6298	36.4788	48.3762	51.7669	112.997	19.6916	103.792	22.1762	31.3191	37.6307	82.2502	213.399	21.3688	53.0029	64.4326	228.457	37.7973	86.4284	182.275	32.7053	18.8865	86.6562	35.8788	25.3497	32.192	186.493	89.1115	84.068	0
eicosapentaenoic acid	3367.09	62.9966	90.27	356.309	179.322	134.089	454.992	16.7903	52.9117	40.8228	297.213	150.982	398.732	51.655	51.7657	14.7532	32.1662	307.274	145.526	128.467	45.6547	1808.32	136.541	3209.47	89.0284	120.748	33.2015	16.3386	38.0949	26.5522	60.203	732.067	26.9679	179.085	56.4123	0	521.041	753.256	17.775	133.831	56.5585	24.0505	265.323	50.6836	219.172	199.446	175.601	144.231	62.2776	336.021	1240.84	39.4792	2996.99	1475.22	4072.39	88.2561	232.849	992.457	47.8321	314.829	3783.93	54.7611	55.1797	22.4684	102.383	53.119	140.251	81.0637	681.312	14.9206	5628.02	42.9537	327.293	2178.46	257.664	1075.7	115.465	27.4001	202.945	3684.89	0	2221.92	605.144	109.407	1141.14	746.939	37.4631	616.665	11.8282	2204.63	131.507	129.332	186.097	1776.17	73.4779	902.818	56.3742	92.6295	1513.39	27.3662	95.5116	2891.32	26.742	682.479	63.5414	82.6984	217.329	2033.62	42.7379	332.15	66.0822	8946.02	76.1433	193.007	84.4532	26.1126	91.8687	309.538	35.1034	67.4534	63.699	12.2638	2492.35	33.6504	71.0502	154.291	17.058	3332.67	981.931	118.728	78.6422	275.823	172.501	65.0506	310.637	44.1543	182.564	151.566	403.515	495.038	69.4758	73.062	475.035	13.2942	250.505	47.1855	174.153	52.1459	4607.83	106.168	32.6919	83.0269	163.578	2559.46	37.8949	191.969	241.079	16.9474	173.701	35.2577	87.9695	42.0951	108.9	279.48	108.804	204.042	103.672	176.973	31.8078	671.775	39.0914	71.5522	26.4108	216.42	72.7052	59.0116	88.3559	82.6906	115.495	919.754	262.244	130.371	122.941	87.8439	53.567	84.0069	59.0079	2926.09	35.5237	76.4534	561.365	264.438	133.099	754.385	48.0754	26952.3	295.498	305.899	24.2516	32.7778	303.624	60.0179	24.2222	92.8142	74.6361	2000.6	33.5359	88.0526	81.6831	51.6967	217.59	149.804	162.198	445.584	3071.77	157.273	580.798	929.372	126.12	110.44
eicosatrienoic acid	1231.91	17.9046	206.869	456.903	397.254	5983.65	1054.61	1480.64	645.386	880.546	2180.99	431.196	148.047	1035.38	62.4855	25.9125	0	231.37	309.309	283.862	1075.15	628.651	91.6793	275.906	74.2044	65.9519	232.878	24.5167	80.425	734.897	72.5307	2127.34	20.9232	163.977	63.6017	18.2252	31.8383	75.1058	0	21.7641	1969.77	0	778.706	4511.67	1922.39	2543.2	0	275.269	696.259	1803.11	880.16	42.4453	3022.42	1134.22	726.297	166.25	1093.53	3923.96	30.1431	296.452	722.77	318.881	2419.66	2858.55	643.699	27.6276	32.2667	56.2224	705.294	561.477	1438.22	705.343	793.841	342.335	23.2161	573.562	1412.41	3878.85	976.588	1654.93	0	2401.08	43.7678	912.511	1443.94	482.939	484.223	1756.69	303.444	1455.67	266.177	50.339	40.2393	1014.52	770.923	1399.53	1308.12	68.24	236.295	386.379	1526.97	1098.93	43.8982	189.907	20.479	50.8272	196.638	326.799	529.354	574.144	21.5361	329.586	0	23.0401	90.0435	0	40.5009	990.916	50.2325	109.693	54.2384	16.2668	91.9799	672.152	697.895	41.5784	61.5704	1125.68	679.627	1854.37	382.127	744.24	208.761	4277.49	127.629	2156.21	1781.19	140.465	1583.35	364.141	366.315	28.4286	1642.34	0	330.974	29.3226	2186.83	55.5652	142.208	800.394	31.9859	562.105	0	237.472	357.079	0	126.623	36.7896	60.1151	20.6384	22.7744	0	0	74.459	52.6081	1757.28	187.405	52.2305	64.1599	47.7507	19.439	66.8788	0	1338.9	58.2286	98.5461	42.8978	1252.82	35.4897	1844.22	338.973	26.9342	406.82	123.84	482.049	3834.31	28.0268	1523.47	1093.86	26.2192	650.515	86.4544	26.5274	1673.94	268.204	376.874	737.126	204.737	30.0504	968.378	177.662	390.777	14.6276	69.9709	133.714	1078.88	38.7944	46.7144	42.4955	0	150.514	1100.74	365.548	214.973	653.729	126.572	95.3037	6649.63	133.167	1263.07
eicosenoate	605.905	441.008	130.968	357.984	472.476	454.084	191.742	72.3717	46.3507	404.29	142.811	74.3788	381.817	139.221	99.8524	103.556	36.5806	46.8814	72.3692	31.4585	297.159	576.973	197.316	52.6042	731.089	97.2386	20.2052	43.8643	218.321	6.15556	94.7062	98.0052	435.437	136.32	90.2016	14.7238	166.335	147.331	19.141	97.3854	62.976	379.349	38.9959	736.237	321.921	74.4375	141.855	56.5748	104.636	600.282	70.0621	285.96	75.8236	107.337	105.558	333.183	171.782	779.205	498.768	225.27	48.3304	23.5646	60.5883	66.73	170.81	243.24	120.268	42.6256	147.74	80.0697	149.601	24.8289	142.66	209.998	82.7944	0	51.2041	144.299	75.8682	280.227	93.7143	72.1778	206.768	42.8847	108.554	497.941	36.935	80.7104	22.0446	65.6904	34.3464	122.651	67.6778	185.808	70.6692	134.384	23.3249	166.716	47.5035	0	86.6609	827.64	1963.31	102.952	422.339	168.986	925.168	76.5549	393.82	369.035	1334.46	240.667	954.23	240.223	992.566	1654.38	981.125	91.161	1549.51	155.098	259.659	285.828	196.309	5085.19	125.665	1344.74	1114.71	74.9408	110.564	167.059	32.7531	22.6495	22.7452	550.011	151.617	224.282	169.074	79.6654	584.133	0	53.0636	850.779	248.555	574.194	45.5331	554.797	83.9286	677.738	53.6071	129.42	555.507	33.2026	0	56.9431	54.0259	122.731	70.027	171.314	153.513	95.106	87.4468	27.7377	221.248	168.988	323.922	174.618	306.386	189.018	2109.49	32.6735	128.223	48.1778	440.657	270.127	65.2204	1625.84	54.4766	881.897	45.1828	6604.49	1509.02	186.214	28.459	38.4939	96.1996	226.273	45.3425	331.168	1257.6	47.2341	232.312	67.4448	41.0573	141.421	84.5524	764.792	53.2223	217.649	54.0939	24.9951	0	39.4218	54.1425	55.8039	306.022	180.104	49.3669	322.573	308.649	62.1584	72.4525	33.9819	34.9108	4921.07	2610.5	334.864	66.9666	246.446	7914.37	113.384
glycodeoxycholic acid	278.776	39.6771	47.9639	31.4756	85.8906	5.88313	0	2002.01	50.2776	227.651	65.8807	123.838	172.497	871.935	334.309	95.558	289.196	127.407	0	2559.3	143.109	0	617.716	382.488	275.496	131.238	108.982	474.08	121.9	543.769	117.394	0	95.1729	160.756	54.7016	87.576	47.7673	56.2475	801.515	380.159	470.962	34.1571	62.3823	587.211	0	712.125	182.622	0	0	0	0	140.223	260.278	29.9317	0	210.202	0	34.3467	81.678	122.567	0	520.674	2560.71	131.083	174.478	58.5763	138.601	109.787	53.2994	274.097	105.43	66.0569	213.298	107.135	205.585	799.862	260.579	1242.98	152.739	95.065	64.9434	3018.55	323.784	555.245	64.719	0	0	25.7607	3.51546	0	392.146	126.903	378.258	10288.6	479.92	24.9834	909.927	44.834	0	2657.86	1425.59	46.5921	144.941	35.5919	71.0151	87.5617	3068.53	0	0	0	1062.19	0	0	35.5825	256.695	183.209	37.6118	358.332	186.267	367.216	0	45.4379	310.91	35.9218	0	473.881	250.47	85.1684	0	0	0	36.2465	157.873	78.289	4500.21	0	0	0	41.9145	1147.01	37.6548	266.46	17.7619	76.6895	0	606.59	521.469	168.417	3275.05	0	0	74.7816	4881.24	6910.83	1580.98	74.5067	79.0068	201.418	128.309	350.802	427.589	331.21	172.223	155.362	273.434	656.73	392.601	249.989	164.904	366.193	377.978	271.977	403.179	74.2404	6642.57	55.923	229.314	0	231.701	704.377	0	145.323	106.003	293.894	214.468	0	72.9419	0	77.7759	116.753	0	246.186	137.075	0	38.2377	0	250.01	1175.03	541.641	218.054	0	6960.07	1376.37	72.5461	97.7799	117.696	1371.26	274.432	493.805	221.642	0	648.19	378.794	32.1876	0	52.8776	357.178	0	112.196	166.499
glycolithocholic acid	33.5143	0	51.6165	0	12.367	0	0	15.8674	10.3162	0	0	73.172	25.3864	0	40.6289	48.9748	69.6655	22.0924	0	109.131	96.3251	0	31.953	88.3706	75.687	0	30.3661	85.9941	24.0784	54.9231	75.9545	0	43.2019	66.9509	25.5615	49.3451	0	0	57.9231	44.97	115.274	0	0	11.6273	0	204.731	33.6591	0	0	0	0	0	90.7395	0	0	22.0071	0	0	12.7621	0	0	106.696	912.359	35.1145	0	78.4677	92.2436	24.3483	0	82.2628	31.5817	0	38.6148	41.1735	127.215	0	17.6522	230.01	51.8919	0	62.1061	211.585	81.0593	197.305	0	0	0	0	0	0	63.2	27.272	35.3799	956.34	72.5543	0	209.587	0	0	0	0	12.1083	0	47.6071	0	0	151.477	0	0	0	42.8912	0	0	24.2748	0	20.9606	0	89.4545	0	14.4844	25.0022	0	47.1559	0	15.1912	56.0771	15.1207	0	0	0	0	0	0	0	70.7698	0	0	0	0	0	0	0	0	0	0	0	0	0	126.656	0	0	0	148.215	207.038	39.5073	73.3147	39.7568	13.619	61.6982	129.247	111.657	152.993	68.3886	69.7905	109.634	162.385	55.4894	37.5084	11.9621	63.4519	38.4529	76.908	70.3485	0	161.072	36.6935	60.217	0	45.1768	141.304	15.3535	48.3154	0	62.2553	24.0804	0	28.2429	0	14.8076	120.382	0	154.273	21.3068	19.9453	28.5138	0	23.5998	210.279	67.6608	178.149	0	216.613	124.018	23.5128	0	0	151.517	137.381	32.768	91.7517	0	64.014	52.8505	0	0	27.2697	58.1905	0	9.52122	21.9895
glycoursodeoxycholic acid	0	0	0	101.769	28.3939	42.3319	5416.6	1131.91	37.4489	393.462	0	16.5327	129.909	224.731	58.2501	0	0	241.403	33.6284	598.221	16.7486	0	57.635	40.3714	10.7802	21.5526	16.3293	25.889	0	42.1097	18.0073	0	0	212.025	21.1668	0	12.0806	37.699	27.9145	20.8329	57.8851	0	0	78.9548	120.925	0	0	519.413	0	8917.46	22.9487	77.8946	65.5695	20.8819	0	20.3695	142.783	27.6275	0	42.5039	18.0263	281.518	21.814	8.51726	92.1341	0	0	36.7874	596.707	0	34.4223	146.494	30.5334	88.034	0	0	65.2196	9.2781	0	188.348	0	266.238	0	14.06	0	135777	417.279	61.6606	568.492	168.468	167.846	76.9984	42.6346	382.456	170.884	54.417	134.046	0	36.7426	2161.68	1205.5	0	22.5723	0	0	111.737	280.973	204.76	1448.31	162.405	27.1508	227.99	0	17.7171	0	12.3897	0	80.1937	10.4395	40.2225	0	0	27.263	0	65.5408	22.0365	17.3656	36.4343	63.6636	17.6016	7306.73	38.7436	148.032	9.21278	3997.11	63.2823	0	713.763	28.2768	1660.09	37.2834	0	28.3183	0	59.3416	0	64.7241	17.3861	20.1385	97.5133	0	144.927	996.345	267.399	362.788	0	16.0414	20.7513	0	17.6651	31.2906	13.3576	10.3973	25.2873	0	24.9979	17.9022	57.7441	16.8864	29.2648	21.5602	18.0424	27.0011	376.81	2076.15	18.5768	23.8101	644.276	20.3598	1202.01	0	0	103.231	74.5566	35.1901	2139.84	0	0	0	0	0	125.502	13.2113	187.201	0	0	6972.29	50.6505	704.968	46.1261	61.6918	3569.03	0	0	0	19.2164	89.2405	1242.43	56.0117	0	0	7.45024	56.9974	24.2981	0	20.605	26.9964	14.677	11.7751	50.3206
hexadecanedioic acid	82.9523	149.366	259.745	38.2441	91.3083	41.0556	241.552	57.7097	48.5998	30.569	75.3817	99.8362	153.335	76.0518	115.917	135.526	42.4314	127.436	87.0714	37.0263	91.8969	67.3994	346.716	106.626	178.725	112.918	321.227	195.752	209.188	23.9201	279.68	129.495	242.092	198.007	114.487	142.851	130.155	53.6036	83.2914	174.958	83.1647	190.387	73.946	42.0916	67.8221	8.81254	238.91	119.676	102.24	58.6023	145.365	209.99	141.586	177.157	128.052	102.822	79.0519	60.8328	119.333	136.033	95.8718	146.768	0	80.1727	80.2561	196.72	354.386	204.153	161.482	72.3985	47.3828	157.895	43.2591	231.066	106.407	607.601	31.6419	27.1286	37.9441	126.418	356.474	58.9002	219.451	110.68	223.684	78.1706	80.9002	87.7428	43.9308	140.887	116.502	184.475	167.006	0	34.6601	141.571	77.3323	148.375	104.461	166.079	50.4323	59.2286	97.0656	217.254	307.325	148.596	133.563	206.377	94.2012	67.5988	124.631	124.964	200.63	290.24	110.386	94.6566	203.944	55.451	177.497	67.4918	109.42	172.481	188.017	98.8698	91.5923	111.36	139.029	128.311	112.369	92.0806	212.036	113.736	108.722	42.0485	137.638	92.8459	105.176	183.286	63.1254	210.075	103.148	234.107	99.8216	176.092	142.539	208.771	241.307	146.294	145.522	102.138	96.3637	242.641	234.14	179.078	231.401	142.124	185.852	123.755	192.658	95.9087	74.3137	133.657	148.826	153.28	192.249	112.299	99.6703	93.8192	107.259	230.154	81.9714	183.769	170.516	90.1593	85.6732	154.169	87.3703	67.2439	204.294	27.0118	117.325	369.411	68.8099	107.492	127.889	64.3434	116.019	108.011	59.6394	187.123	127.464	143.523	100.106	99.3997	102.508	66.7413	74.4143	99.3869	55.4645	26.101	83.663	35.4761	75.5057	52.6697	123.256	105.771	178.599	59.8112	36.2155	146.053	105.83	0	84.0495	29.9924	45.0297	99.4859	176.488	125.827	78.43	71.1035
hyodeoxycholate/ursodeoxycholate	2333.79	1625.37	1472.94	4317.17	2086.11	2063.19	3881.1	4849.28	2784.49	6553.9	107.864	796.785	575.048	496.88	1128.18	3506.6	3889.97	2153.11	686.419	6367.8	576.204	402.88	584.049	1860.53	880.414	1390.94	776.749	1686.86	1029.39	5943.4	1159.9	2000.11	3380.12	2656.1	635.808	1031.35	2477.39	3882.33	3596.76	2666.82	982.234	795.917	378.477	1483.27	2194.32	2893.34	1995.25	40.0633	679.93	5593.35	1110.05	1408.66	923.221	781.504	362.74	843.514	0	3895.09	6723.97	2613.56	40.1518	4113.96	5405.61	85.6833	4058.19	1129.01	4636.94	1183.08	0	1749.17	3717.35	5961.49	3050.18	2255.72	1569.71	0	6067.9	1490.87	435.895	480.622	3491.78	1712.7	5741.44	2586.54	0	17794.6	7329.66	394.875	5621.67	61.4896	666.36	1303.76	3591.82	5636.99	3018.93	1607.08	1574.54	708.672	23.0272	1139.96	4828.62	424.204	1879.77	53.2636	2133.79	1075.68	722.239	0	6158.75	8343.79	3148.92	1468.56	1447.27	3371.28	2170.66	1348.96	6623.55	8396.91	3657.99	5716.98	4236.71	1978.71	194.829	161.547	2431.83	7120.01	610.24	307.789	56.7559	1076.72	19988.2	1347.92	7171.49	2057.41	1267.92	2645.52	84.0534	52.2307	3325.26	2325.55	4145.33	567.311	2789.84	1630.18	1048.98	3060.16	41.915	3998.88	2211.37	694.662	328.55	1911.45	737.33	1218.04	1480.33	3206.22	181.553	378.855	2139.17	3985.36	3983.5	3282.79	11972.8	2749.9	2498.77	552.899	1537.96	3059.27	232.18	1177.79	3669.78	1503.84	5740.07	6503.11	1527.37	464.126	3815.45	4304.76	1075.17	4350.46	666.432	4533.46	5644.37	2466.67	331.595	5762.09	618.593	641.153	136.948	504.021	82.1838	1323.62	222.366	110.119	955.515	126.62	11772.5	122.677	1013.22	3384.33	6950.09	4063.12	2020.37	723.82	121.961	2006.77	5779.54	1959.01	2495.08	6080.57	154.946	867.158	1122.89	789.188	286.351	1332.39	359.48	3823.11	458.381	853.826
ketodeoxycholate	99.5042	35.0661	53.1215	1195.91	486.149	19094.9	2504.31	13366.1	5173.93	19371.4	234.938	249.149	545.761	657.176	147.907	68.625	95.3785	5875.03	7028.88	31719.3	38.5698	3168.66	210.043	652.442	62.7363	3351.3	230.323	233.892	81.864	2727.73	43.0503	4342.03	93.1913	869.874	112.405	35.232	266.259	5020.84	68.0801	44.8789	179.666	34.2347	16126.2	973.167	49002.2	242.743	1147.26	740.165	41127.5	27916.6	1020.88	118.318	103.838	705.005	1383.4	409.316	1143.24	17176.4	55.9658	218.548	390.197	4099.81	505.301	40.573	5370.95	35.3348	36.6604	45.189	89.2199	143.027	8285.18	3053.29	242.877	2441.11	49.114	0	21754.6	279.236	507.616	3940.18	48.4909	200.821	42.3837	77.3042	0	79.4208	35685.2	22562.8	17829.3	1273.67	117.783	56.5244	760.474	1196.2	1156.11	8307.26	69.2788	1371	966.321	824.216	6435.44	590.317	47.908	76.6044	352.486	132.21	894.34	0	16006.8	24360.6	54.2683	32499.7	81.3176	18.7665	40.8353	22.2538	45.5365	20219	88.318	2057.56	21.9358	56.1218	138.4	156.674	1888.48	552.738	40.7988	884.507	568.478	30580.5	11284.9	22762.4	39884	944.831	24596.7	2662.57	163.026	5835.61	11410.6	4879.39	14272.2	0	14294	114.95	16168	24.2711	1200.21	294.612	12061.8	19664.9	0	687	213.637	7201.34	2261.82	282.4	63.4985	32.3155	67.8214	46.168	554.059	61.317	332.851	111.734	71.9022	138.027	801.829	30.7895	28.6989	454.647	23.9265	3203.45	33.2052	22707	1546.3	73.3295	37.3383	3935.1	85.969	10570.8	81.2897	49.4218	27742.4	203.827	42.2992	35120.3	30.8716	6588.21	15.0562	136.08	317.875	190.825	26.2104	6384.9	205.844	87.5707	635.219	313.202	51.0905	19119.5	38686.8	1890.15	65.3125	134.144	34.1755	43205.7	119.935	145.153	122.65	48.9311	40.163	1014.01	95.4509	114.537	16623.6	61.4504	55.3787	6420.74	131.753	3264.63
linoleic acid	7051.67	32288.5	7165.41	5086.04	33900.6	8312.41	3828.14	429.494	5847.39	12360.7	7629.06	6368.85	29102	11829.4	44957.8	31236.6	419.529	5107.07	55950.2	3991.23	24779.5	18252.1	28333	5668.16	17069.6	22608.7	10779.1	3156.23	66235.5	4776.24	3988.64	12361.7	12482.9	9839.92	25047.4	1790.37	93135.5	29609.4	521.034	33750.6	9655.47	13008.2	2208.15	46013.1	4290.18	9519.92	3791.26	24755.2	5014.99	3412.53	2572.57	7487.46	2673.3	5368.2	78762.2	5427.13	42054.3	29939.5	10289.1	38562.9	5232.31	1001.41	3905.59	47900.2	11728.5	27758.1	4648.01	10804	3240.68	1203.23	6536.78	3919.02	12532.7	15933.6	9553.76	2053.25	27874.2	5539.94	5302.18	7336.42	891.343	5915.25	29896.5	19003.8	3685.71	4061.84	1894.63	847.673	963.079	6127.45	7143.77	4374.67	27340.5	16724	21643.9	3682.71	27599.3	2011.48	2143.39	1716.84	11184.1	58984.4	86492	3062.06	16185.4	347.861	48723.7	10033.4	3247.99	9061.1	13437.7	129.154	36143.7	5602.08	60363	43090.1	3881.18	3559.73	12500.3	4020.29	9448.64	6244.2	3206.75	12370.2	1868.45	3166.51	29745.7	12078.6	4070.31	14099.7	1341.22	1523.25	1106.1	2822.2	4271.5	19695.3	1115.86	4401.36	5137.66	7453.15	4730.19	5079.64	3850.71	1902.24	256.509	1433.86	48080.9	952.086	3457.06	771.375	9445.57	1526.43	1961.63	3571.94	5081.29	8960.06	42533.7	21839.2	6235.53	38003.7	47859.1	1392.21	7614.73	12544.3	32770.7	33995.4	23672	4364.98	11408.5	28278.1	12209.8	19892.5	16923.5	19632.4	10336.8	72405.6	13104.8	62155.4	16330.2	45696.6	15989.5	16162	2423.79	13106.6	59056.1	40354.3	23047.5	4692.11	51721	3651.6	8494.08	21452.5	21314.8	20578.6	8752.13	78071	19644.4	20755.6	2113.28	1295.68	744.795	7061.93	13797	12959.3	65049.6	6698.59	22336.2	49853.6	68230.3	1432.79	77322.6	7940.22	29867	57773.3	46125.1	2504.38	47453.2	24965.5	49235.4	67270.8
lithocholic acid	10719	2298.38	9323.26	7920.26	10481.8	16.2067	0	5879.86	4716.66	1992.89	4910.32	7773.91	5064.26	4849.66	8927.44	10078.6	8506.14	5135.56	0	4875.52	7441.56	14.483	5001.76	8052.08	7325.53	6125.63	7913.98	5737.49	7259.87	7560.23	10721	1111.71	6644.61	8982.47	7308.22	6229.21	4407.04	3590.66	9121	7995.8	7235.64	6713.5	7737.51	6843.42	18.2031	9478.59	9181.46	0	57.914	13.6383	120.597	6898.03	6064.52	3040.63	34.644	13564.4	11.0574	1528.46	14132.6	8798.5	18.0934	4483.51	13487	4673.26	5524.68	6405.46	8227.94	6962.39	27.5764	4790.48	8314.27	1248.04	7834.26	5103.26	13424	0	4727.06	16856.4	7945.84	174.896	11709.8	7790.69	12663.8	9015.19	418.119	44.0863	0	38.2858	66.043	28.1954	5325.11	9769.05	7463.8	10604.9	6911.29	460.497	10214.1	5558.7	29.5144	5317.96	3995.38	3333.34	3598.83	3988.59	5905.84	9262.66	1280.76	49.6359	26.1743	345.963	5711.95	15.5107	2310.64	6104.43	7747.48	1316.94	5922.14	5780.11	8452.28	6396.8	13106.9	6295.71	7422.26	6150.95	5106.25	8703.37	4631.39	111.252	0	25.3252	39.8724	304.895	106.826	8612.67	94.1916	3336.06	3561.85	0	6150.56	226.42	431.02	5717	2416.38	8775.01	17.7649	9810.2	532.013	7455.24	5278.23	66.404	2922.59	3551.71	8654.45	7135.81	5810.56	8163.16	7876.45	3164.94	11609.2	10018.8	9060.28	10199.1	11534.9	12143.6	7626.57	12311.8	9813.78	11936.1	4008.98	6798.59	8149.37	8328.59	8313.11	692.197	10125.6	3933.58	9657.33	90.7491	5711.33	2015.58	6901.54	10049.4	2066.65	8901.89	5987.25	11.5018	5562.97	42.846	5484.54	7119.63	1232.95	8508.64	3634.22	0	6822.31	2532.21	195.851	7021.24	9217.96	3853.09	29.484	9402.6	10981.9	7369.37	2311.86	1249.07	9573.77	10558.4	5864.9	14280.8	2477.83	6320.1	7213.47	4445.43	9.29291	7212.59	8355.22	281.586	5887.3	3320.53
lysoPC(O-18:0)	22.9004	0	979.131	10.4078	0	15.4411	113.864	0	7.87893	14.1638	173.216	0	28.9321	0	0	0	0	0	9.87034	156.854	0	255.466	44.0029	85.8552	17.9064	23.4137	0	0	0	0	0	5247.35	0	30.2343	0	0	0	0	0	0	15.9712	0	244.275	238.524	0	9.07355	0	32.7729	26.3411	0	4904.95	0	6732.55	1368.15	2488.64	0	383.861	1590.28	0	0	614.192	26.1949	0	74.8088	0	0	31.7325	35.326	3235.06	0	179.89	164.126	0	64.169	22.6726	5236.7	13.9443	0	0	7774.81	0	890.378	0	10.6776	7153.72	225.973	19.2716	1908.98	6.97552	1531.87	37.2441	15.0829	43.2065	59.2794	0	12346.5	55.8412	88.0354	55.0621	0	31.0561	87.2727	0	62.4419	0	123.952	147.681	329.679	58.5171	53.5095	0	183.427	0	14.027	158.364	0	228.537	37.3275	0	204.917	0	0	0	160.738	45.6007	0	0	2426.14	4072.73	495.119	104.779	737.071	261.63	600.107	21.0384	62.4615	43.3385	238.626	1421.88	2059.74	55.9314	0	2487.31	19.393	1061.3	17.99	657.262	0	105.052	88.2221	97.9126	70.2138	0	61.0698	0	0	15.1651	0	54.2657	0	0	11.8688	30.6822	200.815	0	0	37.5871	13.472	0	24.8545	8.45464	0	0	0	18.0327	6.93509	0	87.2209	22.5882	70.5499	65.2245	31.3828	66.0279	0	0	24.8786	23.848	6049.04	10.0335	11.3993	1917.05	0	31.0913	287.48	80.5769	844.779	274.793	0	32.0359	100.571	72.3871	16.3705	0	216.509	101.919	58.9556	0	75.8581	16.2285	52.2359	866.579	12.7188	17.7878	28.7396	621.908	44.4028	100.67	1293.38	0	65.9779
maslinic acid	62.4388	1053.42	58.4696	34.1667	648.341	43.1086	150.103	24.8254	23.2059	5.92204	232.436	17.7135	58.4182	14.5423	80.9272	51.4698	180.496	83.2925	467.447	31.4649	0	96.0828	49.5058	55.0183	54.9233	490.274	1515.98	13.9761	29.4444	10.9992	97.9227	65.4258	326.624	425.58	314.873	66.6002	16.6044	125.291	835.792	0	2629.27	770.241	49.525	9.45352	0	19.8444	1367.56	0	0	12.4556	18.5963	67.8283	19.1212	34.9878	0	30.4156	66.1052	21.9399	46.8047	140.149	0	15.565	14.6736	19.2149	0	87.3674	223.859	140.948	0	76.1788	8.92231	285.997	114.875	378.21	22.6413	0	36.0162	0	26.5301	0	161.242	1049.31	543.497	97.7172	0	0	0	48.6371	5.7776	0	172.53	77.3444	1262.5	113.013	33.4729	0	34.3241	637.29	26.0744	174.989	45.4828	6.20802	30.7672	103.657	106.341	0	28.346	83.7294	48.6138	40.4777	109.172	0	143.204	1311.58	172.453	0	278.812	13.1701	104.038	0	1070.04	3185.19	278.159	199.215	31.2802	53.3086	1739.17	79.1444	0	0	0	0	246.502	14.6365	41.7887	0	0	84.8504	9.67398	0	10.8304	49.3334	0	21.9344	0	90.4067	0	101.021	178.496	151.406	0	0	0	76.6482	49.7617	3319.04	275.016	1844.59	227.101	195.188	200.325	155.575	135.361	1128.45	0	27.1314	35.3575	64.0724	82.6056	416.043	36.6685	0	925.565	14.6087	40.4711	247.081	250.918	134.2	132.918	118.819	15.0962	914.78	404.727	460.846	170.961	159.669	492.461	0	69.1025	33.4158	156.322	75.4829	38.4779	0	71.8798	27.9611	23.4771	401.099	21.7067	0	50.4736	8.83801	402.992	93.115	18.0805	2938.52	1150.26	103.037	222.445	6945.71	16.9436	13.6262	15.4686	127.831	11.4075	164.417	35.94	1449.99	323.008	53.4481
myristic acid	90.7895	38.2314	67.5632	414.545	52.7557	83.6998	87.1946	22.8744	15.0712	35.2854	22.6705	30.7474	65.3963	21.4595	36.9947	35.5479	39.765	22.6862	216.917	16.0875	29.696	212.942	52.4721	43.7809	314.791	42.2617	28.6132	35.869	28.6644	23.0548	71.2201	21.6767	76.7142	40.2911	35.1657	34.3442	39.422	19.2857	41.4752	28.5629	20.801	48.8888	44.8968	19.2777	284.717	121.548	61.1846	42.6316	107.416	27.4486	29.851	73.7232	21.7477	33.6259	394.761	225.996	56.2118	24.1345	247.206	451.176	121.763	15.7217	43.7857	30.1809	27.4556	15.2214	67.0807	58.0443	138.699	13.1571	91.5032	20.4315	37.0102	51.7121	133.044	0	21.8572	98.6311	14.8988	40.2521	94.8792	66.9571	78.1981	21.921	55.5349	438.761	57.2609	20.6307	14.6141	58.4188	47.555	124.205	36.9813	231.869	38.0156	46.3858	29.6578	726.642	53.9982	40.5658	15.1207	2170.08	209.049	280.808	99.5613	22.9092	287.316	78.2363	3036.17	132.77	62.9059	157.84	125.687	134.647	354.872	552.398	96.8118	150.404	119.991	194.96	25.6997	22.0918	41.6537	148.195	31.5346	99.6595	100.14	54.2785	56.1152	61.0213	77.6405	31.2968	28.4986	561.428	178.145	31.7591	36.3789	40.1732	288.472	39.136	22.7463	186.434	25.6385	1012.96	44.9985	216.967	52.4297	71.4692	1189.74	161.895	21.1671	164.045	0	106.685	84.2834	1539.75	282.499	48.8461	101.145	36.669	29.9951	33.9379	58.0921	75.7585	90.1104	72.8141	46.8291	57.6862	50.143	39.7525	56.5845	62.196	60.4697	30.6275	33.7555	61.3163	52.7557	24.1441	250.921	242.849	397.2	78.4135	24.5491	39.2575	80.2061	23.9051	105.898	87.8426	30.8304	122.224	81.0966	203.191	179.317	45.1658	47.0287	33.3351	28.0552	53.4657	20.8299	31.394	9.88129	72.8947	149.893	42.4572	31.405	595.344	40.4887	90.9737	109.387	46.462	51.1064	40.8483	91.6586	414.829	430.866	46.6359	51.8313	58.4393	35.7021	36.1039
nervonic acid	177.954	0	31.4151	79.5839	33.3968	11.3391	0	72.6215	0	0	10.4441	16.8145	48.2542	49.7551	0	0	0	16.5463	0	9.54886	53.3461	9.38479	0	0	47.3873	23.5089	0	0	0	0	0	0	35.9037	0	25.3174	11.1396	0	16.2319	10.0238	0	0	42.8485	0	15.4093	60.1545	0	0	0	29.4738	62.809	0	65.279	11.7649	0	0	80.1434	0	23.6949	33.1323	45.0889	0	0	11.4003	17.6706	23.3489	0	0	0	0	31.7861	12.632	0	58.5681	60.5408	10.9388	319.199	30.8143	13.0291	16.2981	43.4874	20.7487	0	0	0	0	0	0	39.0898	0	24.0951	0	19.9205	0	13.1269	0	0	0	47.9469	0	0	19.3	6.59764	34.7777	0	40.4824	46.5678	0	69.1946	34.5443	42.8082	56.4092	42.8075	63.2333	17.5916	28.3303	14.533	35.1195	26.7186	73.0715	43.3195	55.4189	22.1611	85.4743	369.866	28.1881	119.163	46.4575	0	29.6788	31.6362	0	27.6737	0	132.319	34.367	22.5315	82.4861	27.2613	59.7545	0	0	77.3844	22.8382	25.6184	30.8306	36.8914	0	145.523	40.7951	17.7327	18.9427	107.747	0	37.7355	0	0	23.529	13.16	47.459	0	0	0	12.305	16.0081	0	31.6183	27.2324	43.8664	17.7379	0	0	0	15.3633	9.23385	23.6434	7.78678	0	0	0	28.6851	54.0118	0	0	0	0	0	0	15.3106	0	0	0	13.7462	0	0	31.9708	36.7364	0	44.5434	10.6825	7.83848	0	0	0	23.8187	0	16.4495	0	10.4126	7.56015	0	0	5.51302	0	25.6721	36.2748	76.9343	0	0	45.2921	0
oleanolic acid	102.253	205.356	267.748	40.6278	208.849	12.8464	32.2321	26.8298	235.454	212.813	39.9494	31.2776	176.729	87.887	416.783	253.863	57.0619	69.6194	283.313	13.624	13.8177	35.9683	277.38	332.956	154.858	131.627	371.846	20.4837	293.067	136.209	242.331	0	321.457	197.232	151.31	83.0916	143.471	42.8755	332.984	135.511	273.612	547.401	0	303.337	49.9318	17.0048	393.558	733.442	0	0	0	499.864	0	0	0	78.0744	0	255.262	87.432	368.853	144.4	69.8191	0	21.4203	0	409.142	403.89	168.127	0	105.43	0	167.597	201.402	381.983	147.105	0	13.0683	0	50.9499	0	243.312	375.505	260.172	1127.9	0	0	26.9911	25.8578	99.7615	0	139.889	94.7521	530.368	227.583	23.2184	0	11.31	105.922	158.616	275.467	222.616	95.749	36.7011	82.0508	292.936	21.5461	1524.73	729.615	149.142	31.9625	217.545	0	354.018	309.122	73.5556	0	275.57	77.1098	216.634	277.935	491.466	334.304	116.864	191.044	16.5534	37.9598	253.083	47.5968	20.1542	0	0	0	0	27.2414	88.6146	439.477	122.335	0	0	0	24.0472	68.187	0	176.271	0	349.048	2146.66	215.287	66.9544	29.258	57.6019	0	0	0	1011.33	467.798	256.327	304.123	453.893	304.173	341.383	297.421	350.48	187.837	371.035	285.151	63.791	304.655	336.831	292.162	93.7457	16.4612	392.444	35.6678	36.6297	568.747	443.955	355.057	423.499	133.428	81.2215	336.838	241.172	402.253	205.627	1011.83	420.939	157.794	392.151	525.805	197.791	227.825	178.336	0	66.1908	342.033	17.5883	387.344	22.2839	101.218	43.4219	246.757	316.46	94.8554	59.6999	311.484	428.444	239.599	178.28	391.619	509.205	12.2763	17.8612	227.837	268.373	145.208	451.706	206.38	206.468	34.5551
oleic acid	10711.4	65958.3	5691.99	5892.4	51430.9	16767.7	13799.9	834.895	5511.65	10568.9	32645.2	8492.94	70113.2	18586.4	15190.8	13923.1	1059.17	2900.07	24470	2079.02	31640.6	14819.3	25159.9	3087.5	25227.6	20425.1	19611.3	1908.13	34293.5	2257.88	8058.95	28922.2	14621.8	81785.8	11896.9	1403.96	79303.9	38008.6	337.887	44447	27494.4	11221.7	2415.87	42137.1	11019.1	8968.67	5889.25	32361.4	3271.55	8505.97	2710.03	18055.4	4077.39	29790.4	37178.6	12250.5	76506.6	35489.1	13062.5	35477	3682.51	757.895	7087.34	28351.1	17367.1	16339.1	16883.8	16834.4	2574.66	541.422	3974.93	744.289	14880	8189.55	13836.7	1245.09	8289.81	3258.29	4134.58	7038.57	1316.48	10208.7	17533.4	30066.4	3530.44	18303	2567.71	804.489	863.317	3953.28	9735.62	26249.7	64320	11871.4	27813.2	6940.51	3154.17	2141.21	1061.46	645.581	4244.95	61270.7	77198.2	5802.21	43199.8	172.89	71590.9	2393.33	6213.32	9605.53	35982.5	289.36	73092.9	9642.11	24904.6	51107.9	23482	2697.63	31910.9	3847.51	14301.3	19002.6	6005.61	10203.1	1331.44	14078.1	56439.2	19928.1	6246.68	7144.13	420.423	819.024	623.014	5140.81	6450.19	9901.62	1802.71	9587.31	7389.13	4946.29	4537.12	6553.2	4682.73	18409.3	513.207	4774.12	97109.8	1526.22	732.795	1761.82	61993.2	888.291	1670.27	2807.45	10971.1	32052.3	18811.4	16924.4	23174.2	29702.9	30709.8	1807.23	2998.22	15891.3	37077.6	27494.5	20037.2	10423.7	57153.7	5205.67	30999.2	10038.1	37206.1	26213.9	27427.7	61477.9	43690.2	56743.5	14383.5	53638.7	66525.4	29808.4	708.809	11882	58455	19305	25882.1	6869.18	42411.6	3815.8	11816.6	39343.7	6313.3	94609	4153.1	70652.7	16055.3	18152.3	1745.37	603.061	227.449	2349.98	9024.49	1334.38	56967.8	43904.3	35665.8	33612.1	50704.9	15967.3	35037.8	3437.59	15212.6	51014.2	48072.4	8968.56	42633.1	77056.4	81465.6	31745.4
oxymetazoline	20.4309	49.0339	115.706	0	0	0	0	0	0	0	0	16.7896	83.8371	10.6778	0	332.701	131.163	20.968	0	0	31.3662	0	279.891	98.3754	103.083	0	0	351.021	183.563	58.6052	60.78	0	347.577	0	199.114	99.1973	15.1731	0	235.586	106.983	0	220.025	0	0	0	0	402.472	0	0	0	0	86.5799	0	0	0	153.331	0	0	78.1372	187.097	0	31.2424	0	5.852	0	82.729	173.632	77.8056	0	30.2627	0	0	7.49458	0	0	0	0	0	0	0	352.754	33.5549	295.627	181.475	0	0	0	0	0	0	0	332.379	65.3338	0	0	0	0	125.185	0	0	0	0	97.0144	31.0949	274.515	58.3577	0	0	0	0	96.9372	0	113.665	133.314	93.1344	0	132.322	21.4207	75.3601	155.407	112.804	132.361	0	36.5982	18.184	256.434	53.2242	0	0	0	0	0	0	0	0	0	15.5608	0	0	0	0	141.1	23.5875	384.969	0	284.691	0	152.759	0	0	0	0	0	0	26.5319	39.5684	56.0171	0	109.046	73.5496	95.4505	59.8801	61.2786	24.9359	33.3057	0	64.6436	93.868	0	27.0673	36.2296	111.561	34.1327	0	27.797	29.718	48.7399	0	19.3513	0	35.229	62.9202	0	0	0	0	17.0024	49.1293	0	142.843	96.3139	30.2223	0	0	18.2921	0	0	0	0	0	0	0	20.9549	83.7835	25.4933	0	13.8303	86.2117	0	119.559	31.3689	0	0	0	0	45.1996	0	0	0	0
palmitic acid	3874.95	3593.28	1623.7	12529.5	2175.52	1758.2	506.447	1132.61	351.149	1359.78	1075.41	424.132	5813.66	924.898	1754.36	1022.88	446.323	293.001	1066.71	319.523	2027.29	2429.92	1562.49	397.238	9333.61	1045.1	384.05	555.468	1324.3	167.15	527.856	1466.52	905.959	950.542	800.004	226.794	4902.07	1007.88	234.205	580.773	1104.9	2084.26	819.913	1702.26	5700.08	628.395	859.229	928.634	543.715	1479.69	370.369	3180.89	350.835	1009.38	1983.08	8755.06	2931.05	1393.65	5124.58	4530.19	1369.41	195.959	404.157	1643.5	1683	691.611	973.417	1055.02	3580.43	509.667	1359.43	371.51	1291.49	880.23	1928.03	237.768	754.27	910.623	437.624	639.486	1869.51	724.292	1001.83	324.627	1187.99	9674.47	1283.57	795.26	188.746	1098.98	573.023	1861.91	839.066	1490.41	1325.2	599.623	762.843	3482.89	482.345	706.061	744.677	10784.6	8492.33	6384.37	5404.65	1898.4	6253.29	1304.65	9644.6	6660.03	6137.43	2417.66	8293.7	3722.2	9759.14	7218.53	4153.05	2379.71	7847.23	4315.2	1031.57	1358.83	1040.18	4373.71	2257.04	7533.48	8136.04	1061.34	2247.34	1985.17	1499.37	789.194	134.923	7940.59	3727.9	2641.21	1522.12	574.345	11806.6	612.995	652.159	6644.78	2162.41	4828.03	1467	7380.91	2163.09	2134.47	1012.24	4587.63	6813.22	1373.63	103.31	2678.13	971.861	3486.45	1361.2	1301.54	1869.96	1136.94	1314.45	392.287	947.684	1079.19	909.616	2787.29	1278.18	1441.81	1911.92	547.877	625.726	737.159	2041.19	673.739	599.954	3724.79	991.391	1690.8	1711.26	9842.88	5792.63	990.077	219.745	900.339	1911.9	679.521	1229.12	1845.59	1681.72	1053.55	1734.57	1101.84	994.647	1559.99	801.22	3199.74	480.236	1887.56	301.357	580.021	44.2908	1202.42	934.737	943.231	1721.27	3945.23	570.143	1341.69	2551.36	1628.94	2011.47	633.719	359.153	5600.06	8024.67	1891.44	1410.93	3083.21	3521.4	1632.31
palmitoleic acid	111.672	105.316	25.4388	120.333	156.4	545.272	0	49.7691	34.1384	52.814	316.344	40.8009	161.515	49.415	27.4559	16.883	0	0	43.125	21.9966	69.4689	341.814	96.3901	65.9954	64.947	40.4245	68.6345	17.6576	30.3321	78.7898	44.7666	75.2499	37.311	82.7225	36.244	31.8675	978.483	70.0341	0	82.982	292.955	59.7782	44.3717	44.8644	127.778	199.438	29.8704	79.4966	0	193.933	39.9773	126.518	126.179	1551.03	290.06	96.3533	526.726	58.2919	22.3267	104.91	199.453	49.3564	315.209	170.359	34.8476	45.7884	28.5721	37.0946	44.4585	14.9564	531.052	0	85.1127	52.9352	100.298	0	50.2637	122.152	33.282	56.6505	20.7346	176.61	24.1909	34.9606	33.9423	231.403	52.2518	0	15.1722	72.8486	29.2883	89.814	52.2075	143.761	117.11	29.435	24.3298	0	28.0919	0	30.6609	1243.85	130.068	189.022	137.853	0	51.8629	72.9647	56.0806	259.117	23.1685	45.6949	328.045	1003.07	73.2523	411.967	169.795	63.3695	54.7876	266.39	0	30.7631	21.5943	109.551	46.2179	59.823	141.754	49.8212	229.385	25.2708	0	68.5608	0	174.673	132.717	40.6219	31.3904	85.8465	58.7549	0	27.5617	23.7505	51.4504	0	0	0	156.5	44.6059	0	79.6245	78.0441	0	0	0	58.8677	65.6748	70.7854	88.5911	54.1588	64.1905	56.4374	22.6542	28.1985	75.0058	66.1452	45.4488	72.1632	22.9155	57.7908	33.9293	326.985	52.0022	60.2975	67.67	26.1704	77.4199	140.994	77.3507	30.6314	548.264	210.188	39.412	52.9661	120.547	108.868	77.232	49.7856	60.6704	92.9219	15.6065	205.817	49.3935	20.1875	159.748	34.3879	137.346	94.229	45.8045	12.5218	30.1843	15.9164	72.7357	25.9672	19.2154	34.0902	783.107	40.6109	44.0924	134.402	129.664	85.4631	118.749	92.2256	4552.42	670.399	246.24	116.735	1723.46	133.54	127.172
palmitoylethanolamide	97.9045	0	0	17.3871	145.036	82.7692	0	17.4063	22.0459	126.464	129.18	44.6029	0	40.2543	66.8146	0	0	26.318	47.4182	45.0515	21.2302	86.0962	0	25.2671	15.7905	31.22	62.1749	0	23.556	12.8981	0	28.4455	0	39.6795	10.0632	0	22.705	61.5635	0	59.3041	120.657	0	15.1728	67.9121	185.515	190.789	30.1095	0	22.2705	117.689	31.0689	0	57.853	19.2181	33.128	57.9591	0	57.8515	0	0	19.54	35.0303	241.802	132.65	31.7015	0	0	0	57.119	99.1826	230.177	32.2099	87.7728	37.6491	14.3951	0	112.552	140.57	291.625	19.3219	0	0	0	10.498	0	15.0879	44.8652	49.4884	52.459	31.2201	86.2186	0	13.8436	116.029	103.862	0	659.58	0	103.685	79.0444	119.737	24.539	114.05	0	29.6261	0	0	0	45.3605	207.206	0	34.46	0	0	25.866	29.5595	0	62.2339	0	22.1821	0	0	0	169.645	24.1001	0	0	26.0784	27.4606	65.2354	0	78.8498	0	127.54	45.2473	28.3725	133.339	0	47.8453	41.4065	133.445	0	82.5375	0	0	0	0	0	0	67.3638	0	0	0	0	0	0	15.2673	25.669	0	29.3891	18.9759	16.0895	0	35.8765	0	16.7215	47.0882	0	16.6213	49.0392	17.3989	0	0	181.459	27.8216	0	11.6074	56.599	19.943	10.0737	0	0	23.627	0	0	14.7466	0	0	20.5141	0	0	0	0	0	19.6747	0	108.826	49.4403	19.3423	15.3284	59.508	38.0358	0	0	0	47.563	0	71.7721	0	0	0	180.657	0	95.3844	35.121	105.178	25.8887	66.6661	10.8293	38.0278
PGE2-d4	510.501	522.567	377.795	290.373	447.188	265.217	1458.62	453.4	271.688	269.799	390.499	478.977	553.81	340.453	557.215	524.111	332.917	644.798	372.417	420.197	418.526	277.164	930.605	646.993	331.317	550.22	557.856	330.633	594.441	157.29	630.321	649.794	658.423	621.838	400.056	441.508	368.508	378.55	345.088	382.625	383.524	840.755	594.495	370.099	425.355	292.427	853.944	680.155	731.013	274.315	643.538	615.058	561.454	545.34	853.649	564.651	546.014	367.453	484.953	404.993	677.159	395.193	216.917	254.303	477.535	458.1	582.103	495.72	1165.68	390.986	344.602	587.389	331.348	718.905	428.287	5130.17	304.764	371.303	349.255	801.283	717.794	455.832	686.896	395.641	1444.75	560.97	498.397	567.083	101.264	892.072	524.535	536.895	672.194	272.797	261.905	928.723	431.839	659.448	633.257	1052.08	382.047	264.823	338.488	796.662	622.673	633.702	892.555	1341.24	588.965	323.421	567.378	724.576	795.278	438.565	518.18	471.6	413.743	277.437	370.8	355.86	675.669	377.38	730.3	480.819	550.996	602.236	417.537	752.662	737.735	609.149	1356.1	764.055	672.084	187.24	736.494	196.316	531.929	1026.1	379.786	1234.04	436.189	694.309	559.093	480.782	941.354	695.245	1503.7	641.856	912.73	515.195	599.717	1498.33	1249.94	1203.66	1085.78	524.626	362.162	280.119	622.878	433.586	412.992	575.754	415.646	457.095	514.738	649.824	557.666	488.453	391.933	623.116	307.044	572.973	494.113	258.544	527.579	307.807	501.657	358.676	558.341	219.876	548.614	288.025	450.391	581.331	461.526	364.003	455.592	678.755	316.554	526.157	601.791	617.852	366.765	714.736	355.085	372.075	366.243	440.9	276.544	219.285	392.405	271.64	582.041	471.98	572.605	410.51	615.518	381.622	241.519	477.716	641.705	181.883	310.272	236.431	290.45	589.828	552.617	369.528	346.579	298.886
phenyllactate	12571.7	7455.51	576.981	3786.68	16835.2	0	0	11054.8	33334.1	20.7759	24343.1	59.8011	140.803	521.237	43162.4	1023.25	6267.55	31800.5	29283.6	749.602	7458.02	1081.62	3438.34	11406.7	287.704	6896.02	34872	394.144	528.295	1284.93	627.451	266.25	78.6168	14037.7	855.597	22127.3	26844.8	18389.9	548.473	293.547	26425.6	790.861	25.1806	8541.49	0	4762.47	9000.6	0	8.95072	3.66189	6726.19	49617.4	0.338775	13303	8.4765	103.791	15.108	5929.06	120.205	78.5605	8.35391	5403.56	32928.7	50.5601	32007.2	137.48	77.4129	4.80672	19.2609	9979.62	60850.7	17681	6202.97	41949	38527.3	8555.43	9218.83	9719.87	6810.23	6.95844	136.663	22100.2	35.8118	12560.2	4087.29	18.7419	10371.8	351.08	16580.3	0	23115.5	126.216	664.48	32.9939	26251.9	349.064	18902.2	862.253	0	28780.7	8088.85	2858.96	148.53	7300.5	66.4266	2943.84	3036.32	0	21.797	4861.18	618.664	21.3213	150.52	322.332	175.554	1091.19	58.5211	2313.17	11993.7	210.53	211.948	606.142	17400.9	8564.24	11519.7	104.269	3148.19	0	18.0676	1.0549	0	0	0	1553.83	4.32029	4051.38	42.9422	39.2193	11277.1	22993.4	4224.75	65.8967	8943.66	3733.94	7.05378	205.569	9189.23	445.227	468.202	41736.2	84.0886	0	56390.6	3329.78	782.846	67.2997	13265.4	3480.84	30.2266	516.259	24619.5	87.5231	76.6642	899.251	526.99	63.0936	3543.25	1247.26	122.571	136906	232.184	12731.6	18222.7	19984	36364	582.258	0	11002.8	740.107	5591.55	8849.81	1260.97	21609.8	16823	31513.1	1245.11	52.4171	11170.9	13899.1	26.1375	583.264	26487.6	32216.8	0	334.628	578.003	45.8579	24339.9	16.4493	6682.51	9961.13	44569.9	283.011	57.6435	72929.3	12904.6	143.248	1378	170.446	71.3596	307.703	8430.24	56.4205	573.554	0	85.4604	235.167	20651.3	180.993	30589.5
p-hydroxyphenylacetate	70.2521	18.3243	73.1743	0	0	46.5213	0	142.781	147.105	253.882	562.644	48.0573	19.8324	15.0686	136.45	37.3038	43.5131	164.459	400.156	156.867	13.1313	3029.77	142.796	362.632	25.5816	73.7794	72.5932	41.7594	48.868	55.6976	53.609	0	23.0886	129.121	112.465	40.1692	31.5396	0	32.3274	132.352	115.567	67.0646	786.712	20.1984	1339.96	151.027	21.5616	1340.52	258.45	965.27	116.41	37.761	568.296	153.623	162.296	0	0	1379.9	0	0	107.607	0	31.2933	17.113	50.5812	20.1701	56.0371	27.8083	75.0294	0	151.226	189.568	31.593	249.655	130.656	0	80.8211	1235.71	836.505	51.8001	0	19.1824	83.5897	905.61	85.9702	0	825.638	1614.37	2141.52	95.8195	81.5116	17.5818	33.8823	792.247	51.7086	461.138	96.1534	29.4066	78.0714	1746.79	3082.14	0	0	0	0	34.9486	0	0	100.237	747.362	0	0	599.055	0	0	192.173	0	0	0	0	18.8206	0	134.168	15.0929	85.3294	0	126.914	51.4283	648.72	665.089	61.137	970.455	0	20.069	49.5032	170.19	265.664	0	22.128	26.0209	56.0331	0	149.271	0	810.226	150.814	1253.68	26.1767	0	40.2974	104.474	112.827	278.081	107.662	37.1024	37.2546	82.9462	24.9233	39.2837	77.0645	99.7607	46.6764	21.9548	57.6897	103.246	129.953	72.4715	104.559	63.1975	317.159	0	116.598	0	2453.35	21.5315	19.5543	66.1887	116.97	158.057	63.1236	49.1343	18.8728	334.84	76.4058	68.7235	1194.14	114.402	824.459	28.464	160.99	555.357	425.779	105.404	0	192.633	162.517	0	2930.24	27.9763	2259.89	751.974	123.993	96.16	152.882	503.935	1014.73	179.787	68.2956	0	23.5272	202.319	16.165	18.3514	18.6551	110.303	93.7707	477.748	274.305	31.108	64.7326
sebacate	522.999	105.984	1345.28	75.2027	267.374	10.2746	39.7222	198.322	438.091	85.9976	91.5308	492.906	155.363	64.1162	436.112	1651.48	778.249	168.163	107.537	76.9934	699.312	110.444	1113.38	427.229	2198.85	238.39	509.614	3827.87	673.591	701.408	1362.96	89.4881	7201.69	759.259	1252.25	1542.82	351.5	165.505	2682.5	1092.89	803.43	1346.49	858.178	366.431	105.003	2744.77	2202.66	215.449	50.1914	194.294	141.352	361.196	258.338	174.082	68.2706	856.411	27.5536	137.551	122.307	1326.78	45.6897	360.796	91.7896	421.213	426.609	1679.83	2463.25	253.121	1686.71	561.904	321.761	226.124	298.643	617.45	628.816	0	151.169	209.918	264.458	29.6482	4181.54	333.45	2665.04	622.098	156.65	19.4883	55.9247	100.353	144.877	30.0141	311.227	1147.66	1674.18	151.017	183.439	38.9673	1546.16	895.463	70.3513	174.448	1168.4	65.3167	465.487	214.562	2625.53	496.835	141.38	46.592	59.4092	190.239	1440.08	19.6068	246.235	1503.8	379.312	94.1937	485.496	293.628	406.652	637.014	278.824	1540.79	266.667	586.768	621.753	1097.6	129.196	47.0546	39.8918	163.487	35.507	43.9711	42.7718	45.2267	23.9241	5079.56	449.244	146.621	105.886	728.733	80.4023	2828.66	177.118	3113.01	64.6751	684.697	109.728	9274.09	90.1151	73.0102	140.356	121.397	225.831	139.387	581.549	1429.36	1061.07	802.913	617.287	1292.79	1136.49	1912.17	1501.29	1476.39	1534.81	383.428	461.844	818.874	824.389	283.347	845.725	1619.62	2590.15	365.871	139.817	926.27	460.948	167.358	133.34	189.743	138.498	2732.33	98.063	150.741	380.463	109.584	149.197	191.37	447.284	211.601	107.702	190.802	209.28	49.7501	255.121	45.3565	46.9213	420.452	64.0819	36.6223	420.702	206.554	543.136	101.252	154.646	364.128	435.355	492.534	226.941	471.441	0	85.6806	1546.47	197.632	62.6491	430.5	974.272	252.174	776.683	187.956
stearic acid	3378.47	8989.03	1999.75	6824.79	990.142	1693.3	264.907	1302.67	131.892	651.701	223.754	169.065	12977.3	1650.2	426.906	593.782	380.258	76.9657	453.889	90.9399	705.421	1315.6	264.633	140.096	11305.1	300.761	152.84	435.486	1011.06	35.0869	387.478	853.137	1215.21	340.013	274.951	151.31	1668.8	621.799	194.002	37.7201	171.59	7618.2	369.489	288.265	4461.26	103.42	514.287	248.002	512.369	905.599	188.207	12121.4	281.271	111.48	421.371	9375.61	1264.19	313.471	10213.7	2791.53	916.562	79.9895	71.9998	346.574	3244.64	190.52	1006.58	805.265	5891.39	173.605	524.639	348.607	1292.97	433.674	1289.06	337.187	426.969	299.01	115.552	463.63	2653.7	81.9054	870.9	41.0164	2404.57	12469.2	468.597	4657.17	56.7348	374.812	146.612	2257.58	237.29	441.548	354.462	985.302	160.946	6208.7	253.603	356.618	84.6163	4371.62	5810.07	6675.38	15608.5	9733.21	2626.16	564.085	16081.3	7415.4	14884.8	5184.08	17011.5	8185.6	21061.5	8875.83	15324	2577.52	13798.1	6051.79	3194.53	7723.01	1741.51	4552.57	6653.93	19975.5	13971.2	398.565	1397.67	1391.27	2243.37	452.158	195.863	11384.4	12463.1	3523.18	3617.63	323.73	17015.6	79.8688	151.971	17796.5	4286.74	17296	1775.62	25137.6	426.028	14472.5	1004.62	7863.01	9666.92	1126.78	42.1714	2321.62	396.183	5615.52	333.801	1165.98	1456.59	827.668	1797.38	330.819	1731.38	1407.82	282.428	788.592	553.639	831.263	584.915	84.0794	116.239	208.76	3685.28	82.6941	235.644	2088.94	524.712	330.812	840.717	5330.87	7027.37	469.493	74.6964	158.463	530.287	149.925	419.013	1079.84	290.912	244.758	759.625	246.288	294.221	190.311	255.357	1780.62	173.239	248.08	193.965	231.662	10.7926	139.045	521.576	1022.91	348.902	870.799	118.925	1232.34	702.564	698.007	1054.06	265.506	43.9099	1506.62	2001.11	2401.26	204.801	410.809	456.48	501.627
taurochenodesoxycholic acid	26.4609	20.8145	0	29.9669	15.5281	376.405	130397	261.148	91.9393	202.929	123.494	149.971	584.385	178.571	150.424	31.2756	0	131.533	93.1832	1626.11	0	509.143	202.919	115.171	68.3103	32.7139	70.6824	16.5282	89.3371	18.974	37.3464	163.846	0	36.6919	15.717	50.8802	21.6152	52.3079	37.2278	29.3374	71.9926	60.7821	58.4818	739.248	204.895	0	27.1923	20860.8	65100.1	939.205	139.654	40.6672	49.1636	0	377.256	42.3918	55044.4	164.867	20.2384	52.7074	475.699	28.6895	1951.86	0	27.1708	184.307	0	27.7644	166.994	0	131.717	1835.42	16.8457	1105.28	66.1125	0	0	0	12.5177	495.758	37.9162	179.822	19.7923	20.6415	45.7509	28288.2	177.932	8420.89	406.631	84196.5	554.103	29.6278	73.1243	34673.4	178.244	356.553	241.02	0	150809	1141.02	697.606	44.1168	108.14	884.606	31.8386	0	9553.17	236557	209.678	53.3965	180.273	542.217	101.592	91.0789	36.3048	21.4885	94.1651	93.2099	0	177.296	24.836	66.5419	357.984	13.9689	0	24.095	54.4845	2298.4	1318.85	319.275	7631.24	2561.21	1381.25	0	433.549	72.9537	32.0122	104656	52.1535	8567.38	340.896	33.6716	13.6723	0	48.9518	52.0839	452.268	77.0067	2080.02	4287.57	0	0	616.761	2042.71	64.8091	32.0073	0	0	70.0808	27.3962	42.3243	0	21.8228	18.8499	14.3603	251.728	26.3047	14.8322	40.4979	114.784	0	24.2947	0	14.448	1216.67	37.4382	38.6362	5017.18	63.0922	2257.11	0	26.854	355.252	23.1751	21.0857	34432.1	18.8643	71.5307	22.2601	41.121	0	75.9854	87.5874	49578.7	33.1869	0	3035.32	27.8285	0	63.3378	1961.13	750.072	164.137	5.13547	51.7179	31.7017	1664.31	23.6884	0	38.8657	46.6366	0	232.711	0	43.1335	43.763	42.7467	140.772	15.5502	327.071
taurodeoxycholic acid	1478.14	33.0416	62.0994	319.145	0	7.54341	0	316.531	603.874	240.357	238.364	775.277	192.823	206.642	638.932	0	30.674	409.761	0	1628.67	524.579	0	55.5742	101.254	37.0204	26.4848	41.3952	23.1923	914.056	31.7154	23.8118	102.284	0	0	12.4796	707.566	523.115	16.3144	101.499	19.9142	1947.66	0	156.973	1194.4	53.945	12.3052	41.2812	0	0	0	0	0	813.537	124.557	0	136.237	0	62.4306	37.4108	19.4645	0	27.1085	26252.5	8.03531	0	22.1381	18.5752	22.976	0	12.2354	1221.73	2339.87	953.622	361.938	328.32	0	14.4929	28.9786	441.895	60.6728	0	3491.39	26.3264	29.8376	0	0	0	277.813	7.67695	0	354.726	0	57.5739	52130.4	2869.75	72.4105	2556.88	0	0	882.913	868.615	22.5602	86.7636	115.972	22.468	0	2691.18	0	0	8.6506	305.028	0	25.7898	265.938	35.2	85.0243	10.1529	23.7649	24.4969	97.894	0	26.4011	773.152	41.2141	0	18.2981	218.761	315.244	0	0	0	78.0025	229.998	9.02505	4271.78	20.9375	13.6209	0	23.6642	837.726	107.145	32.7128	9.18287	0	0	61.2177	59.3565	552.598	4815.27	39.8697	0	0	228.62	777.653	0	0	0	13.8649	0	21.0162	19.3876	15.8623	17.9227	0	21.9834	3311.38	55.6228	0	32.992	51.7966	0	20.7691	0	9.05722	827.875	26.7701	45.2837	0	177.136	217.014	0	23.8139	1937.94	49.996	0	0	133.356	0	26.0677	278.991	11.4253	158.296	676.594	0	63.0132	0	298.243	2693.67	16.8362	1049.9	0	348.929	67.9274	18.7194	43.0061	8.49394	600.934	38.8286	66.0734	43.8093	30.4203	63.8418	2194.81	6.36106	0	24.5715	38.1051	30.4399	529.103	530.02
taurohyodeoxycholate/ tauroursodeoxycholate	0	0	0	43.2676	10.3106	208.045	1619.48	52.8553	40.7437	84.702	0	46.3606	173.001	30.4079	0	0	0	133.039	17.0693	251.194	0	0	0	0	0	0	0	0	0	0	0	45.7379	0	0	0	0	0	0	0	0	0	0	0	59.3137	40.0793	0	0	526.134	343.418	345.336	25.3988	0	16.3705	0	0	0	90.6023	25.9558	0	126.306	0	12.9183	103.331	0	0	0	0	0	0	0	37.1029	1889.76	44.2663	255.455	0	0	21.9955	0	0	103.391	0	59.1962	0	0	0	74187	0	2769.13	591.32	115.682	92.1869	0	0	2637.15	170.343	110.799	66.8612	0	379.557	303.067	725.915	0	0	0	0	0	238.49	177.542	34.1596	16.0999	0	77.6304	0	0	0	0	0	26.2782	0	0	0	0	0	0	0	0	0	185.931	0	27.9765	28777.4	87.6274	371.014	0	63.1676	20.4783	0	592.666	0	988.265	75.2567	0	0	0	0	0	0	0	210.049	601.329	0	80.6608	0	81.4036	22.5056	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	144.88	0	0	493.18	0	177.883	0	0	260.848	0	0	8604.1	0	28.2903	0	0	0	0	0	31.1133	0	0	8754.17	0	7.44427	48.1241	544.41	148.017	0	0	0	0	52.434	44.9989	0	0	0	5.15502	32.6319	0	0	0	0	27.9479	0	30.9087
taurolithocholic acid	445.112	0	0	365.399	0	0	54.9822	31.5552	63.5703	0	121.654	471.959	145.828	0	130.549	20.8361	0	68.4143	0	649.574	241.333	0	48.8765	41.287	0	0	0	52.5784	226.498	0	5.32481	15.4304	0	0	0	479.131	38.9755	0	15.2206	0	192.155	0	21.1146	239.106	10.1332	38.1879	0	0	18.8362	0	0	0	350.079	26.2352	0	27.3134	0	0	0	0	0	0	3854.64	0	0	0	0	0	0	25.109	200.252	114.092	192.758	214.531	295.226	0	0	0	137.912	0	0	543.294	0	0	0	0	0	0	0	71.5344	125.12	0	0	13013.7	652.837	19.804	720.864	0	20.0895	1005.45	98.093	6.24727	16.474	170.768	0	0	189.501	47.1657	0	0	44.0048	0	25.2914	70.7391	0	0	0	0	0	30.5514	0	0	394.525	0	0	0	25.8486	0	0	0	0	0	53.0129	0	0	17.6612	0	0	0	65.2369	0	0	0	0	0	0	0	217.408	619.199	0	0	50.3939	47.4554	130.129	0	54.6458	54.374	0	33.3386	0	0	0	0	23.0041	22.5686	937.403	0	15.6734	48.9583	0	0	0	0	28.1574	96.51	0	0	0	65.9455	38.2885	0	0	83.3602	0	0	11.7426	88.9963	0	0	181.614	0	54.8895	233.988	0	65.0697	0	35.6173	326.482	53.5138	82.473	0	27.0107	47.6188	0	0	0	93.5184	22.7896	0	0	35.2589	0	903.381	0	0	0	0	0	124.505	82.3536
tetradecanedioate	200.958	241.183	323.626	95.25	162.599	72.4836	446.093	157.929	88.3851	85.4319	138.245	167.76	211.255	122.633	208.661	172.513	112.825	229.836	97.9043	173.413	161.898	111.815	498.308	217.843	204.838	186.85	269.497	214.324	258.804	124.833	273.927	250.607	272.606	260.089	134.575	193.528	152.198	99.3449	202.524	148.799	138.45	359.387	239.672	127.194	147.678	63.5666	293.807	207.696	289.132	104.873	169.813	304.288	221.684	180.115	322.37	219.842	204.078	121.504	248.773	144.568	246.454	173.226	90.721	107.023	150.769	219.783	252.129	211.089	399.537	153.495	142.228	222.892	110.025	262.693	182.577	1630.43	119.697	165.037	110.376	305.762	346.194	191.838	317.33	162.095	567.832	207.311	135.223	113.341	21.4066	341.134	222.126	261.443	250.327	110.071	107.946	339.508	170.009	283.091	245.152	362.194	153.201	93.4668	159.097	347.115	308.445	220.204	297.882	497.097	225.354	133.806	177.652	170.457	287.544	202.062	184.286	195.888	190.519	152.399	167.215	145.248	229.675	180.833	292.523	160.986	149.171	232.258	186.943	153.118	235.957	196.428	553.477	296.332	267.003	138.082	295.173	64.5743	213.823	382.655	147.518	482.594	163.583	253.971	199.015	207.084	324.173	289.718	525.091	258.909	308.528	128.337	200.136	569.586	440.189	457.624	453.98	219.402	154.692	114.082	274.521	240.906	173.66	209.946	175.739	192.321	250.17	238.556	237.224	199.125	123.083	278.588	126.175	305.812	202.472	114.499	189.893	146.701	200.763	129.166	315.725	77.7465	217.828	199.683	151.508	220.969	166.416	154.778	175.084	218.649	116.506	242.752	241.581	206.454	161.376	283.069	139.775	176.193	135.462	166.012	96.7011	36.5404	157.546	133.364	228.076	149.309	237.292	151.424	328.459	123.238	125.131	182.198	212.276	64.8569	148.844	82.7963	111.459	183.129	225.776	153.542	133.041	89.8154
undecanedicarboxylic acid	409.336	464.372	630.353	215.753	378.137	175.058	869.697	278.336	333.922	234.488	266.883	484.421	452.069	274.043	472.147	421.632	282.589	486.434	292.111	306.457	329.755	221.433	822.566	438.186	664.891	433.76	617.47	482.624	567.793	270.241	547.687	491.748	627.287	476.38	379.018	489.808	308.222	255.234	419.709	327.376	360.176	964.476	442.003	236.784	310.739	186.914	628.632	435.846	550.814	190.334	471.207	634.585	363.641	431.898	567.553	414.087	358.862	240.418	416.923	432.993	416.597	316.189	269.725	239.085	349.392	604.5	484.856	431.107	788.243	278.796	273.448	383.081	263.785	707.858	591.202	3235.48	249.479	305.301	329.812	611.561	511.856	350.136	629.752	371.218	976.115	411.951	416.539	395.033	140.885	566.26	432.83	536.836	572.757	221.54	209.7	630.768	308.79	545.511	399.775	723.734	242.058	181.389	750.467	607.26	585.969	414.825	621.507	954.056	390.857	223.989	337.146	467.569	600.825	393.347	408.605	401.874	319.394	236.274	489.829	309.033	502.571	421.375	685.231	305.891	420.71	602.283	318.537	461.074	501.165	386.139	998.68	511.086	565.174	267.858	508.481	269.649	372.616	685.175	261.886	792.416	293.796	856.037	359.881	525.148	558.764	482.586	984.782	465.179	592.124	337.911	347.753	1059.42	929.984	908.176	935.548	609.172	405.669	252.773	604.027	611.27	414.767	473.567	350.23	567.724	726.713	595.768	523.405	439.652	366.771	556.7	346.703	586.558	538.859	239.052	409.704	696.353	569.774	350.051	543.83	193.867	438.958	512.098	336.45	520.736	454.18	318.871	417.221	606.093	269.428	533.957	494.122	540.934	339.817	580.799	301.022	353.478	279.652	512.932	221.284	154.513	318.702	270.993	636.815	311.53	535.392	325.332	771.528	316.808	274.758	411.063	448.527	144.138	286.833	210.492	220.884	459.396	516.165	366.445	304.555	234.278
undecanedionate	203.581	167.526	737.486	84.4193	274.743	9.06466	0	89.2059	349.51	80.2691	58.1033	498.067	302.621	81.1163	273.195	661.914	281.029	203.395	89.9327	35.2824	442.49	120.058	527.617	281.268	1464.89	257.706	617.69	1501.83	746.974	486.443	475.818	58.0269	2026.53	318.073	613.731	675.529	207.145	194.498	873.807	1879.68	304.265	601.766	238.263	132.51	42.8383	69.2913	707.422	125.372	33.7498	93.8346	57.3427	764.662	114.597	140.886	93.4924	587.333	13.4008	112.485	79.3319	644.389	23.6276	174.072	99.0657	205.034	199.25	816.109	613.278	193.268	54.6917	250.308	139.73	66.6532	137.877	560.375	485.988	297.748	100.111	154.765	254.517	0	1496.8	228.443	1025.8	482.635	100.272	0	45.7284	44.4567	121.688	18.7916	134.692	705.499	513.179	73.7168	136.836	36.7158	233.004	164.516	0	164.446	44.2253	53.4892	244.587	138.843	886.61	171.79	92.6509	48.5027	35.1465	136.032	614.364	0	246.736	709.93	452.303	135.11	196.348	68.5381	506.075	509.326	340.239	663.301	379.345	354.786	370.463	741.219	115.849	31.5709	43.8842	84.7431	0	23.9648	34.7462	29.3588	0	89.4761	255.868	84.9491	64.4211	108.528	47.5025	1243.47	86.0588	1267.96	44.0704	168.768	74.6924	585.366	44.0269	98.5796	38.9722	46.0999	270.303	86.3367	269.471	728.251	679.936	155.967	233.77	1105.84	359.035	608.81	330.876	928.927	566.165	332.562	278.386	241.587	352.286	238.087	360.635	575.487	1014.08	153.96	239.601	404.496	418.702	122.864	83.2045	74.3547	59.6417	1070.35	76.3589	237.73	468.738	16.5802	178.122	284.651	152.744	104.877	57.0192	341.808	130.703	40.5111	115.3	85.8889	19.2417	340.446	25.629	37.8473	69.5473	137.601	636.393	54.2204	148.39	90.1393	374.953	229.394	176.799	312.209	34.2306	53.1959	163.258	248.144	42.6277	294.572	198.137	145.208	220.865	169.277
urobilin	708.803	1459.86	1817.8	56.7944	21.1268	0	0	0	16.6691	0	57.4142	102.871	7355.77	122.169	25.4827	35002.6	19057	659.382	0	46.4585	1029.74	0	36594.8	19876.6	22590.5	55.1233	442.88	35114.6	33903.7	1149.56	18471.9	15.3428	24270.7	80.2181	32706.8	7372.44	16544.3	11.404	20708.1	42023.8	14.4177	17153.9	0	45.8509	0	0	40872	0	0	0	28.576	15496.1	0	701.438	0	8164.28	0	11.7039	14185	27445.2	0	490.199	10.8507	2273.09	27.7355	37319.8	30776.1	5618.66	0	2943.53	21.9031	21.3444	140.946	57.1988	10.8415	0	0	0	18.9602	0	57559.5	3117.6	29121.6	1293.39	0	0	0	0	0	0	318.297	21937.2	25803.1	0	20.7599	90.8406	29.2815	2073.35	16.9202	0	27.2124	0	13309.6	354.342	35438	105.628	69.5733	0	0	17.0005	37404.1	0	25174.3	40477.6	22991.5	18399.4	18644.2	201.142	21107.6	22349.5	35108	21991.7	463.918	1987.34	138.845	26143.4	3709.68	0	0	0	0	0	0	19.3513	118.212	52.4669	110.295	0	168.528	10.7791	20.7598	34517.4	3768.32	27483.7	0	2808.3	0	10006.8	21.4188	24.7115	62.1721	0	40.6764	1074.79	5819.66	39893.2	27403.1	389.933	38012.5	38603.1	34483	27546.4	27862.4	31289.5	25809.8	1255.61	39852.8	38160.9	101.267	23117.9	24199.4	33251.2	17906.7	22.5861	22038.9	21078	34438.4	15.2068	2027.86	0	2978.8	17990.2	24.8226	3194.67	141.029	0	655.31	4309.61	141.051	5062.15	3837.01	16261.8	12.8173	0	573.929	25.3475	18.696	23.1844	39.3197	0	13.6917	13.2809	1801.51	3702.5	4758.76	12.9103	977.933	19897.4	3170.71	28405	2670.18	0	96.2444	5598.01	0	463.048	15.767	33.6532	521.085	14.0498

metabolite_name	FeatureID	Method	rtimes	quantified m/z	HMDB	Adduct
1,2,3,4-Tetrahydro-b-carboline-1,3-dicarboxylic acid	C18-neg_Cluster_0183	C18-neg	1.28	259.0722	HMDB32102	[M-H]-
12.13-diHOME	C18-neg_Cluster_0393	C18-neg	10.16	313.2383	HMDB04705	[M-H]-
13-docosenoate	C18-neg_Cluster_0530	C18-neg	16.99	337.3109	HMDB02068	[M-H]-
2-hydroxyhexadecanoate	C18-neg_Cluster_0219	C18-neg	13.93	271.2281	HMDB62548	[M-H]-
2-hydroxymyristic acid	C18-neg_Cluster_0144	C18-neg	12.52	243.1961	HMDB02261	[M-H]-
4-hydroxystyrene	C18-neg_Cluster_0004	C18-neg	2.55	119.0489	HMDB04072	[M-H]-
7-ketodeoxycholate	C18-neg_Cluster_0901	C18-neg	8.6	405.2644	HMDB00391	[M-H]-
9.10-diHOME	C18-neg_Cluster_0394	C18-neg	10.36	313.2385	HMDB04704	[M-H]-
acesulfame	C18-neg_Cluster_0025	C18-neg	1.02	161.9854	HMDB33585	[M-H]-
acetytyrosine	C18-neg_Cluster_0090	C18-neg	1.13	222.0765	HMDB00866	[M+H]+
adrenic acid	C18-neg_Cluster_0506	C18-neg	15.06	331.2641	HMDB02226	[M-H]-
alpha-linolenic acid	C18-neg_Cluster_0244	C18-neg	13.76	277.2172	HMDB01388	[M-H]-
alpha-muricholate	C18-neg_Cluster_0927	C18-neg	8.12	407.2798	HMDB00506	[M-H]-
arachidonic acid	C18-neg_Cluster_0354	C18-neg	14.31	303.2329	HMDB01043	[M-H]-
azelate	C18-neg_Cluster_0045	C18-neg	4.48	187.0965	HMDB00784	[M-H]-
carnosol	C18-neg_Cluster_0486	C18-neg	10.79	329.1757	HMDB02121	[M-H]-
chenodeoxycholate	C18-neg_Cluster_0832	C18-neg	10.56	391.285	HMDB00518	[M-H]-
cholate	C18-neg_Cluster_0930	C18-neg	9.13	407.2801	HMDB00619	[M-H]-
deoxycholic acid	C18-neg_Cluster_0833	C18-neg	10.77	391.2855	HMDB00626	[M-H]-
docosahexaenoic acid	C18-neg_Cluster_0472	C18-neg	14.09	327.2326	HMDB02183	[M-H]-
docosapentaenoic acid	C18-neg_Cluster_0490	C18-neg	14.45	329.2486	HMDB06528	[M-H]-
dodecanedioic acid	C18-neg_Cluster_0111	C18-neg	8.01	229.1439	HMDB00623	[M-H]-
eicosapentaenoic acid	C18-neg_Cluster_0351	C18-neg	13.62	301.2172	HMDB01999	[M-H]-
eicosatrienoic acid	C18-neg_Cluster_0361	C18-neg	14.78	305.2485	HMDB02925	[M-H]-
eicosenoate	C18-neg_Cluster_0373	C18-neg	16.12	309.28	HMDB02231	[M-H]-
glycodeoxycholic acid	C18-neg_Cluster_1196	C18-neg	9.52	448.3067	HMDB00631	[M-H]-
glycolithocholic acid	C18-neg_Cluster_1081	C18-neg	10.9	432.3118	HMDB00698	[M-H]-
glycoursodeoxycholic acid	C18-neg_Cluster_1197	C18-neg	8.1	448.3069	HMDB00708	[M-H]-
hexadecanedioic acid	C18-neg_Cluster_0268	C18-neg	10.78	285.2067	HMDB00672	[M-H]-
hyodeoxycholate/ursodeoxycholate	C18-neg_Cluster_0830	C18-neg	9.25	391.2851	HMDB00733*	[M-H]-
ketodeoxycholate	C18-neg_Cluster_0900	C18-neg	8.35	405.2644	HMDB00391	[M-H]-
linoleic acid	C18-neg_Cluster_0246	C18-neg	14.48	279.2329	HMDB00673	[M-H]-
lithocholic acid	C18-neg_Cluster_0731	C18-neg	12.43	375.2901	HMDB00761	[M-H]-
lysoPC(O-18:0)	C18-neg_Cluster_1871	C18-neg	13.94	554.3816	HMDB11149	[M+FA-H]-
maslinic acid	C18-neg_Cluster_1385	C18-neg	11.82	471.3475	HMDB02392	[M-H]-
myristic acid	C18-neg_Cluster_0107	C18-neg	14.01	227.2008	HMDB00806	[M-H]-
nervonic acid	C18-neg_Cluster_0672	C18-neg	17.96	365.3421	HMDB02368	[M-H]-
oleanolic acid	C18-neg_Cluster_1275	C18-neg	13.87	455.3528	HMDB02364	[M-H]-
oleic acid	C18-neg_Cluster_0250	C18-neg	15.27	281.2486	HMDB00207	[M-H]-
oxymetazoline	C18-neg_Cluster_0187	C18-neg	6.2	259.1813	HMDB15070	[M-H]-
palmitic acid	C18-neg_Cluster_0171	C18-neg	15.16	255.2326	HMDB00220	[M-H]-
palmitoleic acid	C18-neg_Cluster_0164	C18-neg	14.21	253.217	HMDB03229	[M-H]-
palmitoylethanolamide	C18-neg_Cluster_0515	C18-neg	13.73	334.2518	HMDB02100	[M+Cl]-
PGE2-d4	C18-neg_Cluster_0610	C18-neg	8.07	355.2428	Internal Standard	[M-H]-
phenyllactate	C18-neg_Cluster_0031	C18-neg	2.55	165.0545	HMDB00779	[M-H]-
p-hydroxyphenylacetate	C18-neg_Cluster_0019	C18-neg	1.47	151.0388	HMDB00020	[M-H]-
sebacate	C18-neg_Cluster_0064	C18-neg	6.18	201.1123	HMDB00792	[M-H]-
stearic acid	C18-neg_Cluster_0256	C18-neg	16.09	283.2639	HMDB00827	[M-H]-
taurochenodesoxycholic acid	C18-neg_Cluster_1574	C18-neg	8.29	498.2891	HMDB00951	[M-H]-
taurodeoxycholic acid	C18-neg_Cluster_1575	C18-neg	8.55	498.2895	HMDB00896	[M-H]-
taurohyodeoxycholate/ tauroursodeoxycholate	C18-neg_Cluster_1576	C18-neg	7.26	498.2896	HMDB00874	[M-H]-
taurolithocholic acid	C18-neg_Cluster_1465	C18-neg	9.71	482.2942	HMDB00722	[M-H]-
tetradecanedioate	C18-neg_Cluster_0177	C18-neg	9.44	257.1756	HMDB00872	[M-H]-
undecanedicarboxylic acid	C18-neg_Cluster_0138	C18-neg	8.74	243.1598	HMDB02327	[M-H]-
undecanedionate	C18-neg_Cluster_0079	C18-neg	7.19	215.1281	HMDB00888	[M-H]-
urobilin	C18-neg_Cluster_2021	C18-neg	6.51	593.3345	HMDB04159	[M-H]-