Metabolite_name	RefMet_name	008	011	017	029	033	034	040	041	046	047	055	061	070	071	075	076	080	081	083	084	088	089	092	093	094	099	100	102	103	104	107	109	111	115	116	117	118	120	124	126	128	129	132	133	014	018	023	027	035	039	042	045	048	058	064	066	068	073	074	077	078	085	090	091	098	101	106	108	110	112	119	121	122	125	130
Factors	-	Sex:Female	Sex:Female	Sex:Female	Sex:Female	Sex:Female	Sex:Female	Sex:Female	Sex:Female	Sex:Female	Sex:Female	Sex:Female	Sex:Female	Sex:Female	Sex:Female	Sex:Female	Sex:Female	Sex:Female	Sex:Female	Sex:Female	Sex:Female	Sex:Female	Sex:Female	Sex:Female	Sex:Female	Sex:Female	Sex:Female	Sex:Female	Sex:Female	Sex:Female	Sex:Female	Sex:Female	Sex:Female	Sex:Female	Sex:Female	Sex:Female	Sex:Female	Sex:Female	Sex:Female	Sex:Female	Sex:Female	Sex:Female	Sex:Female	Sex:Female	Sex:Female	Sex:Male	Sex:Male	Sex:Male	Sex:Male	Sex:Male	Sex:Male	Sex:Male	Sex:Male	Sex:Male	Sex:Male	Sex:Male	Sex:Male	Sex:Male	Sex:Male	Sex:Male	Sex:Male	Sex:Male	Sex:Male	Sex:Male	Sex:Male	Sex:Male	Sex:Male	Sex:Male	Sex:Male	Sex:Male	Sex:Male	Sex:Male	Sex:Male	Sex:Male	Sex:Male	Sex:Male
10-heptadecenoate (17:1n7)	10Z-Heptadecenoic acid	1.5168	1.1553	1.1131	1.2052	2.0886	0.8918	1.7882	1.0613	1.2286	0.7495	0.7031	1.0503	1.5467	1.0569	0.7742	1.4772	1.1157	2.0024	0.7178	1.4341	1.4961	1.1742	1.2317	0.9687	2.1211	1.2270	0.3689	0.5573	0.9686	1.9703	1.9154	0.9241	1.2997	1.3611	2.6128	0.2317	0.6364	0.3961	1.3868	1.2502	0.3376	0.7632	2.0142	0.6086	1.0715	0.6837	0.9048	0.2520	1.0909	0.7179	1.4216	1.3340	0.7110	1.5497	1.4722	1	0.7131	1.0520	1.0117	0.9164	0.7205	0.6654	0.9214	0.6382	0.3664	0.5605	0.2784	1.2267	0.5132	0.2946	0.8455	0.3561	0.9073	0.9217	0.9581
10-nonadecenoate (19:1n9)	Nonadeca-10Z-enoic acid	1.1373	0.8761	1.0127	1.2468	1.7402	0.6838	1.8416	0.9964	0.9575	0.6623	0.8790	0.9600	1.1757	1.0479	0.7125	1.4515	1.1268	1.7631	0.5975	1.1542	1.4255	1.7940	1.2973	0.8894	1.7017	1.0146	0.5242	0.6709	0.7794	1.5316	2.0381	0.7854	1.3102	1.2121	1.8974	0.4115	0.8758	0.3795	1.2397	1.0224	0.5328	0.5754	1.1288	0.6025	1.2976	0.7597	1.0832	0.3685	1.1985	0.8382	1.3091	1.3782	0.7900	1.3759	1.0998	0.7937	0.6961	0.8240	1.0347	0.8457	1	0.6325	1.2294	0.7317	0.5493	1.0970	0.4497	1.5263	0.6288	0.3758	0.7263	0.4335	1.2388	1.2284	0.8864
10-undecenoate (11:1n1)	10-Hendecenoic acid	0.5173	1.0630	0.9417	0.8072	1.5077	0.6820	1.5547	1.0645	1.7742	0.2835	0.7246	0.4624	1	0.9912	0.3692	1.1027	1.0024	2.2296	0.8021	1.6811	1.0166	1.8057	1.8561	1.1576	0.9477	0.7771	0.6089	0.2580	0.7014	1.1329	0.6986	1.0001	0.6660	0.8097	2.0414	0.6220	0.8189	0.3603	1.1568	1.0745	0.5273	1.3119	1.5579	0.5607	1.5140	0.7934	1.2056	0.5558	1.0259	0.8375	1.0983	0.6780	1.4048	1.0886	0.8719	0.7031	1.3621	1.1500	0.4554	0.7760	1.1819	2.0830	1.3390	0.8511	0.3116	1.3180	0.1055	1.2448	1.2180	0.3261	0.5575	1.0771	0.9979	1.5894	1.2235
1-(1-enyl-oleoyl)-2-linoleoyl-GPE (P-18:1/18:2)*		1.0298	0.6556	0.9633	1.8702	1.1050	1.0612	0.5801	2.1553	1.0240	1.3987	0.9388	0.8102	0.7735	1.6534	1.0570	0.9530	0.7034	1.1748	1.1119	0.6606	0.9387	1.0932	0.9365	0.6347	0.9187	1.0807	2.2143	0.6033	1.0088	1.4750	0.6396	1.1900	1.6023	0.2985	0.7417	1.5363	0.9907	1.1346	1	0.7992	1.3628	1.1456	0.6072	1.1563	1.2305	0.5742	1.4958	0.7558	0.5426	0.5027	1.2903	0.7420	0.9806	1.2946	0.7999	1.2301	0.8562	0.8665	1.4922	0.9140	0.5789	0.8732	1.8439	0.7312	0.8187	0.6604	2.1130	1.2189	1.0623	1.6048	0.9769	1.1311	1.1137	1.5988	0.5675
1-(1-enyl-oleoyl)-GPE (P-18:1)*	LPE P-18:1 or LPE O-18:2	0.5606	0.4004	0.6833	1.2597	1.2334	1.7185	0.6539	1.6522	1.1049	1.2974	1.3343	0.7567	1.0289	1.1516	1.4551	1.5064	0.7125	1.1403	0.7134	1.0170	1.5691	1.9910	0.7881	1.4720	1.2061	0.5298	1.7836	0.5082	0.3602	1.2336	0.6665	1.0876	1.5720	0.5728	0.8214	0.9486	0.5474	0.4629	1.0958	0.5750	2.2080	0.8109	1.1337	0.5914	0.6593	1.0738	1.3470	1	0.6070	0.7546	1.1276	0.8564	0.9178	1.0973	1.2009	1.3520	1.2563	0.7454	0.7788	1.1914	0.8613	0.8054	1.3766	1.1646	0.9500	0.9612	0.8922	0.7587	1.4550	0.6990	0.8332	1.2212	0.9748	1.2252	0.5785
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20:4)*	PC P-16:0/20:4 or PC O-16:1/20:4	1.0084	0.5955	0.6151	1.3046	1.0427	1.1275	0.6323	0.9316	1.0597	0.6791	1.2010	0.7760	0.9715	0.8112	1.0844	1.2591	1.1319	1.0436	1.0009	0.8594	0.7616	1.4785	1.0838	0.8947	1.2656	1.1364	1.4229	0.9818	0.6562	1.1515	0.7967	1.0582	1.3788	0.7457	1.3989	0.6486	0.7601	0.6793	1.3299	0.9336	1.4874	0.8896	0.9602	0.7241	0.9111	0.7980	0.7517	0.9066	0.5543	0.8584	1.2317	1.0255	1.1069	0.9365	1.1428	1.0217	0.9586	1.4278	0.8829	1.5168	1.0918	1.1843	1	0.9143	0.6431	0.6982	0.5618	1.1342	1.8885	0.8450	1.0752	1.4603	1.8287	2.0992	0.8143
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)*	PE P-16:0/20:4 or PE O-16:1/20:4	0.9071	0.4482	0.8328	1.7402	1.1431	1.9341	0.5429	1	1.1198	0.6371	1.4726	0.7562	0.8545	0.8114	1.2110	1.2073	0.8128	1.4383	1.4813	0.7234	0.6921	1.7117	0.4554	1.1960	1.6315	0.7569	2.1020	0.4672	0.8082	1.6886	0.6196	1.5005	1.3170	0.6179	0.8716	0.9265	0.7733	0.7654	1.1592	0.7684	2.7969	0.6382	0.7702	0.9642	0.6763	0.6961	1.1204	1.1463	0.5078	0.5849	1.6498	0.8162	0.9480	1.1187	1.2874	1.4731	1.0328	1.0820	1.8721	2.0019	0.8363	1.5599	1.3731	0.7275	0.7170	0.6780	0.6511	1.1782	1.6627	1.9650	1.1104	2.1205	1.6056	1.9277	0.9736
1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)*	PC P-16:0/18:2 or PC O-16:1/18:2	1.1801	0.8546	0.8930	1.1719	0.8760	1.1392	0.7743	1.4098	1.0628	1.0999	1.0290	0.7451	0.9906	1.2141	0.9771	1.4167	1.0256	0.9129	1.1185	1.0301	1.1254	1.1222	0.9123	0.6770	1.1063	1.0921	1.2517	0.5696	0.6458	1.1136	0.5440	0.8961	1.5249	0.7506	1.3872	1.1723	0.6875	1	1.1544	0.9314	1.1580	1.0212	0.9338	0.9964	1.0206	0.7742	0.6184	0.8645	0.6270	0.7040	0.9558	0.8338	1.0812	0.9611	1.0931	0.6047	1.0430	1.1976	0.7801	1.2752	0.6805	1.0428	1.0755	0.7028	0.7147	0.7056	1.0553	0.7815	1.2166	0.9404	0.6223	1.0883	1.2511	1.3674	0.5526
1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)*	PE P-16:0/18:2 or PE O-16:1/18:2	0.8723	0.4407	0.7614	1.4023	1.0502	1.4402	0.4831	1.1236	1.2710	1.0563	1.4164	0.6645	0.7900	1.1297	0.7386	0.7475	0.5739	1.0580	1.4359	0.6519	0.5774	1.1865	0.4247	0.6519	1.3299	0.7241	1.7736	0.4821	0.7954	1.5696	0.4538	1.4042	1.2281	0.4111	0.6280	1.3545	0.7382	0.8945	0.8467	0.6386	2.2328	0.7693	0.4922	1.2648	0.8641	0.5319	1.0272	1.1240	0.4558	0.4616	1.5026	0.5355	1	1.2126	1.4517	1.1201	1.1965	1.2686	1.4925	1.5774	0.6320	1.1649	1.4124	0.4769	0.7053	0.6401	1.0903	0.9573	1.3137	2.5853	0.9212	1.6792	1.1830	1.6148	0.5862
1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)*	PC P-16:0/18:1 or PC O-16:1/18:1	1.3258	1.0242	0.9678	1.1996	1.1527	0.8147	0.6945	1.5256	1.1379	1.2315	1.1676	0.7805	0.9231	1.6056	1.2686	1.8402	1.2241	1.0247	0.9938	1.3280	1.4224	1.1269	1.2222	0.7233	0.8674	1.3073	1.0985	0.6181	0.8020	1.1304	0.5118	1.0389	1.7765	0.9154	1.8974	1.0669	0.7977	0.9424	1.1830	1.3495	0.9629	1.0485	1.2855	0.7633	1.0042	1.1424	0.5427	0.6548	0.4944	0.8222	0.9615	0.8505	1.0857	0.8068	0.9570	0.5441	0.9248	1.0991	0.7116	1	0.7891	0.7635	1.4080	0.8859	0.6790	0.7352	1.0990	0.8543	1.3059	0.6525	0.6224	0.9906	1.1983	1.4507	0.5802
1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)*	PE P-16:0/18:1 or PE O-16:1/18:1	0.9374	0.5382	0.7881	1.2547	1.1525	0.9265	0.6744	1.1462	1.3637	1.2833	1.2867	0.7700	0.7442	0.9112	1.0234	1.2159	0.6255	1.1452	1.0483	1.0401	1.0424	1.0695	0.6565	0.7209	1.0139	0.8127	1.3452	0.5880	0.8639	1.2029	0.6597	0.9861	1.1816	0.6166	0.7990	1.6932	1.0002	1.0474	0.7459	0.9939	1.6613	0.8718	0.7384	0.9760	1	0.6257	1.1173	0.8574	0.5437	0.4827	1.3761	0.7278	0.8912	0.8530	1.1566	1.3791	0.9274	1.2782	1.4482	1.6645	0.6242	1.1904	1.4374	0.7196	0.8603	0.7210	1.4303	0.8534	1.5351	1.5596	1.2247	1.1829	1.0639	1.6363	0.5871
1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16:1)*	PC P-16:0/16:1 or PC O-16:1/16:1	1.2087	0.8506	0.8400	1.2656	1.1571	1.1183	0.8690	1.1123	1.2777	0.9454	1.1833	1.0073	1.2312	1.3473	1.1108	1.6494	1.1783	1.0775	1	1.3694	1.4114	1.0212	1.5026	0.6745	0.8787	1.2982	1.0945	0.8267	0.8316	1.2831	0.6809	1.1762	1.4795	0.8286	2.2753	0.6400	0.7351	0.8858	1.4070	1.2179	0.9545	0.9043	1.5163	0.7266	1.1987	0.8981	0.7678	0.4987	0.6231	0.8264	1.0867	0.9596	1.0950	0.7188	1.0051	0.9003	0.8282	1.4770	0.7541	1.3027	0.7355	0.9273	1.1413	0.9886	0.6174	0.6936	0.9420	0.7680	1.4755	0.5827	0.8660	0.9258	1.3937	1.2098	0.5475
1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)*	PC P-16:0/16:0 or PC O-16:1/16:0	1.1307	0.9566	1.0420	1.0533	1.0485	0.9462	0.8105	1.3614	1.3619	0.6683	1.3811	0.8445	0.9255	1.2719	1.2089	1.7766	1.1590	1.2194	1.2378	1.2908	1.0286	1.2832	1.2416	0.7870	0.9632	1.4642	1.3861	0.8930	0.7088	1.1006	0.7942	0.9377	1.6483	0.7310	1.8840	0.6135	0.7581	0.9856	1.2100	1.2729	1.1835	0.8080	1.3437	0.8174	0.9199	1.2331	0.7212	0.6888	0.7119	0.8158	1.1496	0.9985	1.1843	0.9648	1.0325	0.9049	0.8763	1.3552	0.8909	1.3306	0.9641	0.8645	1.3039	0.9528	0.6508	0.7531	0.6344	1	1.2544	0.7344	0.8188	1.0316	1.3954	1.0261	0.7201
1-(1-enyl-palmitoyl)-GPC (P-16:0)*	LPC P-16:0 or LPC O-16:1	0.4456	0.4330	0.6208	0.9226	0.8999	1.3608	0.5169	1.5126	1.1127	0.8553	1.0348	0.6479	1.0647	1.0205	1.0691	1.7445	0.7504	1.0229	0.7680	1	1.1320	1.1402	1.1967	0.9634	0.9699	0.4943	1.2725	0.9661	0.3943	0.8139	0.6840	0.8038	1.7854	0.4692	1.1514	0.7239	0.4866	0.3784	1	0.6355	1.2337	0.7574	1.1667	0.6045	1.0361	1.7210	0.8017	0.9468	0.5934	1.1236	1.4372	1.1546	1.4135	1.2018	1.2789	0.9341	1.1097	1.1221	0.4848	1.2354	1.1111	0.6914	1.5188	1.2384	0.9167	1.0099	0.5440	0.7925	1.9107	0.7933	0.7026	1.3105	1.3016	1.0543	0.7762
1-(1-enyl-palmitoyl)-GPE (P-16:0)*	LPE P-16:0 or LPE O-16:1	0.5522	0.4700	0.7711	1.1874	1.1163	1.9424	0.7859	1.2980	1.2184	0.7542	1.5695	0.7827	1.0544	1.0225	1.3891	1.5377	0.6727	1.1388	0.9297	0.9560	1.0253	1.6142	0.7545	1.6002	1.3664	0.5447	1.7412	0.6297	0.4073	1.1370	0.8508	1.1552	1.2692	0.5767	0.8896	0.7656	0.5895	0.5738	0.8703	0.6138	2.2527	0.7556	1.3118	0.6405	0.7847	1.1503	1.3686	1.0865	0.8134	0.7863	1.3062	1	0.9326	1.1601	1.4462	1.4590	1.0551	0.7014	0.9830	1.6760	1.0033	0.9473	1.3188	1.1292	0.8533	0.9417	0.5723	0.8826	1.3174	1.0050	0.8216	1.1955	1.0951	0.9465	0.7882
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4)*	PE P-18:0/20:4 or PE O-18:1/20:4	1.0110	0.4098	0.6665	1.7873	1.1744	1.3490	0.5255	0.9808	1.1216	0.5576	1.3106	0.7422	0.7067	0.8482	1.5436	1.3317	0.8533	1.2270	1.3604	0.7461	0.8753	1.6477	0.6064	1.1061	1.2474	0.9199	2.1505	0.6405	0.7994	1.1852	0.7676	1.4760	1.2813	0.5715	0.9126	0.7624	0.6888	0.6660	1.3345	0.6473	2.2117	1	0.6720	0.7657	0.9484	0.6862	1.0664	0.9466	0.5550	0.5104	1.1282	1.1510	0.8190	0.9267	1.2541	1.1462	0.8147	1.2424	1.3090	1.8091	1.0095	1.2674	1.4576	0.9493	0.8493	0.6230	0.4917	1.0872	1.6689	1.1159	1.1577	1.6990	2.3731	1.9301	0.6636
1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)*	PE P-18:0/18:2 or PE O-18:1/18:2	0.8735	0.4810	0.9371	1.5029	1.1317	1.0530	0.4899	1.4578	1.3851	1.0849	1.0125	0.6962	0.5866	1.4280	0.8439	1.0194	0.6094	1.0548	1.3167	0.8079	0.9073	1.0386	0.5375	0.5491	0.9252	0.8694	1.9706	0.6692	0.8364	1.1279	0.5316	1.1080	1.1041	0.3105	0.5735	1.5781	0.7302	1.0652	0.8307	0.5528	1.4426	1.0188	0.4660	1.1853	1.1605	0.5457	1.1869	0.8889	0.5498	0.3559	1.0698	0.5701	0.8970	1.0012	1.1316	1.1711	0.9570	1.2865	1.1249	1.3633	0.5561	0.8259	1.6053	0.6272	1	0.6423	1.1610	0.7755	1.2046	1.4698	0.9842	1.0949	1.2182	1.3612	0.4810
1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1)	PE P-18:0/18:1 or PE O-18:1/18:1	1	0.4933	0.7979	1.4524	1.4848	0.8354	0.6964	1.3093	1.6366	0.8432	1.2244	0.7699	0.5270	1.1166	1.1541	1.2373	0.6296	1.3389	1.2857	0.9433	1.1245	1.2464	0.6793	0.5896	0.8902	0.9359	2.1988	0.7982	0.7415	0.9460	0.6240	0.9916	1.1909	0.4211	0.7791	1.4360	1.0841	1.0435	0.8814	0.8634	1.2937	1.0679	0.5953	0.9307	1.1007	0.6610	1.2059	0.7666	0.4755	0.3470	1.1455	0.7261	0.8929	0.7705	1.1438	1.4487	0.8626	1.4133	1.2338	1.5265	0.6198	1.0525	1.9725	0.7678	1.0782	0.5972	1.2168	0.9096	1.9097	1.1706	1.3578	1.1432	1.2789	1.7329	0.5694
1-(1-enyl-stearoyl)-GPE (P-18:0)*	LPE P-18:0 or LPE O-18:1	0.5103	0.4663	0.7077	1.3465	1.3463	1.6665	0.6880	1.4765	1.3073	0.7410	1.4666	0.7278	1	1.3003	1.6224	1.6057	0.7718	1.0954	1.0090	0.9150	1.3144	1.6767	0.8564	1.5985	1.3345	0.5048	2.0158	0.6966	0.4665	0.9395	0.8394	1.2161	1.2990	0.4840	0.7908	0.7267	0.5884	0.5266	0.9955	0.5277	2.0151	0.9577	1.1415	0.5745	0.9614	1.3878	1.2784	1.0933	0.8071	0.7776	1.0961	1.0865	0.9463	1.1973	1.5174	1.2168	1.0132	0.7797	0.6831	1.3798	1.0293	0.8824	1.6259	1.2834	1.0130	0.9633	0.5299	0.8621	1.5475	0.8081	0.8134	1.2048	1.4155	0.9931	0.7759
11-ketoetiocholanolone glucuronide		0.3570	0.3570	0.3570	0.3570	1.7650	0.9873	0.3570	0.3570	2.1457	3.9509	1.9632	0.5633	1.2391	0.3870	1.3196	0.3570	0.6509	1.7278	0.3570	0.9454	1.2118	0.8571	0.3570	0.3570	0.3570	0.3570	1.8656	0.4852	2.2144	1.0903	0.6548	0.3570	0.3570	0.3570	0.3570	0.7698	0.3570	0.3570	0.3570	0.3570	0.7656	0.8850	0.5649	0.8519	0.3570	1.0298	2.4561	1.8076	0.8732	0.3570	0.3570	2.3149	3.1636	0.6774	0.3570	1.2520	0.3570	0.3570	1	0.4328	0.6969	0.3570	1.0473	0.4968	1.1572	0.6799	4.5767	0.6405	0.3570	0.6496	0.3570	0.3570	1.4800	1.0654	0.3570
12_13-DiHOME	12,13-DiHOME	0.7568	1.1685	1.8033	0.3825	1.3369	1.0248	0.6407	1.0023	1.4601	2.0292	1.3810	0.8716	1.0922	0.2738	1.6268	2.4199	0.8050	1.1164	0.2738	1.6577	1.7772	0.3639	0.6464	0.9582	1	0.7216	0.6179	1.5273	2.1793	0.9875	0.4842	1.7647	0.2738	0.7215	1.1178	0.7729	0.2738	1.0139	1.3575	1.3678	0.2738	1.5116	2.1302	1.7612	0.5970	0.2738	0.5788	1.1435	0.8058	0.7657	0.2738	0.3069	0.9215	0.5071	1.4038	1.1191	1.1327	0.2738	0.4213	0.8209	0.4948	0.5518	0.2738	0.6918	0.2738	1.6492	0.6072	0.5213	0.2738	0.9084	0.2738	0.2738	0.2738	1.4723	0.2738
1_2_3-benzenetriol sulfate (1)		0.3660	0.3660	1.6636	0.3734	0.3660	1.8855	0.3660	0.3660	0.3660	0.3660	0.3660	5.3392	0.3660	0.3660	0.3660	0.8080	0.3660	0.3660	1.3934	0.3660	0.3660	0.3660	0.3660	0.3660	4.5673	0.3660	0.3660	0.4912	0.3660	0.3660	0.3660	0.3660	0.3660	0.3660	0.5573	0.3660	0.3660	0.3660	0.3660	0.3660	0.3660	0.3660	9.0702	0.3660	0.3660	0.3660	0.3660	0.3660	0.3660	0.3660	0.3660	0.3660	0.3660	0.3660	0.6097	0.3660	0.3660	0.3660	0.3660	0.3660	0.3660	2.7319	3.5529	0.3660	1.0900	0.7520	0.3660	0.3660	0.8767	0.9100	0.3660	0.3660	0.3660	0.3660	0.3660
1_2_3-benzenetriol sulfate (2)		0.2143	0.0945	10.5754	4.6413	0.0945	11.1424	0.5027	0.2958	0.0945	1.2819	0.1249	28.9277	0.2100	0.6465	0.9052	10.3623	0.1522	4.2616	11.6038	2.1769	1.1108	0.0945	0.0945	2.3204	25.1705	0.3361	0.0945	3.2881	0.0945	2.1296	0.1775	0.0945	0.4761	0.0945	6.0434	0.5106	0.7302	0.3233	0.8177	0.0945	0.0945	0.3014	19.6439	0.0968	1.4834	0.0945	1.5809	0.5528	0.1946	0.6869	0.3042	0.1800	0.1394	0.9299	15.1269	1.3235	3.3175	2.6613	1.3123	0.0945	0.0945	33.1138	36.9492	0.4173	6.0234	5.2614	0.5546	0.1774	3.8990	23.0797	1.0368	1	0.3336	0.5233	0.0945
1_2-dilinoleoyl-GPC (18:2/18:2)	PC 18:2/18:2	1.1067	0.9216	1.3361	1.2171	0.5910	1.2344	0.6020	1.4161	1.0590	2.0806	0.7335	1	0.7694	1.3452	1.1769	1.3909	0.6478	0.7065	0.9883	0.9843	1.2912	0.8301	0.6158	0.3886	0.7943	0.6926	0.7909	1.0892	0.6801	1.0946	0.7295	1.0215	1.0935	0.4677	0.8288	2.0405	1.0478	1.6711	0.8079	0.5610	1.3324	0.9787	0.8872	1.9480	1.2774	0.6255	0.9396	1.4204	1.0900	0.7405	1.1182	1.0209	1.1156	1.3508	1.2505	1.1122	1.0758	1.2651	0.8613	1.0201	0.6636	0.9381	1.0862	0.8578	2.0529	1.5605	1.7645	0.6534	0.9118	1.6541	0.9198	0.9808	0.8866	0.9459	0.6025
1_2-dilinoleoyl-GPE (18:2/18:2)*	PE 18:2/18:2	1.3003	1.5345	2.9297	0.1953	0.1953	0.6873	0.1953	1.7765	0.1953	2.5746	0.1953	0.7216	0.1953	1	1.1326	0.1953	0.5123	0.1953	0.5328	0.5285	0.7037	0.1953	0.1953	0.1953	0.1953	0.1953	0.1953	1.7241	0.1953	0.1953	0.7601	0.1953	0.5334	0.1953	0.1953	1.4290	0.6894	6.5276	0.6670	0.1953	0.1953	0.3221	1.4345	1.8491	0.9065	0.1953	0.6586	1.2111	2.1579	0.1953	0.1953	0.5214	0.1953	0.6254	1.1378	1.2327	0.1953	0.1953	0.6760	0.1953	0.1953	0.1953	0.4142	0.1953	2.8859	1.2047	4.4177	0.1953	0.1953	1.5914	0.6994	0.1953	0.1953	0.1953	0.1953
1_2-dipalmitoyl-GPC (16:0/16:0)	PC 16:0/16:0	1.0679	1.0073	1.1458	0.9639	1.0688	1.1323	0.8508	0.9725	1.2377	1.1445	1.0777	0.9468	0.9810	0.8864	0.9031	1.2281	0.8296	1.1653	1.0020	1.2800	1.1186	1.0423	0.9279	1.0793	0.9089	1.0195	0.8953	1	0.9040	1.1254	0.9537	1.1581	1.0239	1.1352	1.3368	0.7587	0.9919	1.0034	1.0832	1.0264	1.1935	0.9004	1.2269	0.9488	0.8455	1.2034	0.8225	0.8308	0.8685	0.9053	1.1415	1.0410	1.1135	0.9674	0.9094	1.1649	0.9134	1.0198	0.9634	1.1991	0.8881	0.9877	1.0327	0.9345	0.8956	0.9279	0.7011	0.8683	1.0482	0.9096	0.9354	0.9276	1.0364	1.0889	0.9154
1_2-dipalmitoyl-GPE (16:0/16:0)*	PE 16:0/16:0	1.5204	2.4393	0.9601	0.4805	0.8082	0.4805	0.4805	0.9413	0.4805	0.4805	0.4805	0.7016	0.4805	0.4805	0.7878	0.5519	0.5376	0.6741	0.4805	1.4277	0.4805	0.4805	0.4805	0.4805	0.4805	1.3472	0.4805	1.5320	0.7810	0.4805	1.9230	0.4805	0.7875	1.5015	1	0.4805	1.0622	1.6262	0.4805	1.3507	0.4805	0.4805	1.9775	0.8195	0.9871	1.0903	0.4805	0.4805	0.6131	0.4805	1.3377	1.4822	0.4805	0.4805	0.4805	1.3435	0.4805	0.4805	0.9898	0.4805	1.0127	0.4805	0.6548	0.4805	0.4805	0.4805	0.4805	0.7384	0.4805	0.4805	1.1649	0.4805	0.4805	0.4805	0.4805
12-HETE	12-HETE	0.5308	0.3008	0.4133	0.6150	1.3946	2.1331	1.7998	0.9787	1.3951	0.3008	0.9603	1.1550	1.9388	1.2373	2.0268	1.9594	1.0990	1.1040	0.3008	1.7961	3.6604	3.3443	2.3192	2.1107	3.7273	2.1314	0.7571	0.3008	0.7718	0.5924	0.9167	0.6703	0.7321	0.7790	1.0717	0.8427	0.3008	0.5617	0.4850	0.7831	1.1776	0.8683	1.0213	0.7349	0.3008	0.3256	1.8962	1.1604	1.0708	0.7434	0.9352	0.8122	0.4792	0.3008	1.4914	0.6736	0.3008	0.6519	0.4397	2.4287	0.3008	1.7175	1.3882	1.9976	2.1309	1.1709	0.3342	1.0657	1.3913	0.3008	0.6362	0.4223	0.9153	0.9676	0.8793
1_3_7-trimethylurate	1,3,7-Trimethyluric acid	0.1015	1.2727	1.3865	0.1015	0.1015	0.1015	0.1015	0.1015	0.1015	0.8954	0.5262	0.1015	0.1015	0.1015	0.1015	1.1046	0.1015	0.1074	0.4864	0.7300	0.8212	0.1015	1.3462	0.2616	0.1015	0.1015	0.1015	0.2512	0.1015	0.3568	0.1015	0.1015	0.1015	0.1015	3.4134	0.1015	1.2562	3.7350	0.8778	2.2407	0.1015	0.1015	0.1015	0.1015	0.7774	0.4406	0.2366	0.1015	0.1015	0.1015	0.1015	0.1015	0.1015	0.1015	1.6820	2.0959	5.0353	8.3768	0.3765	0.1015	0.1015	0.1462	0.1015	0.1015	1.6109	0.2725	2.5956	2.2268	0.1015	3.5738	7.6947	0.1015	0.1015	0.1015	0.1015
1_3-dimethylurate	1,3-Dimethyluric acid	0.2659	1.5618	1.1002	0.1509	0.1509	0.1509	0.1509	0.1509	0.1509	2.9169	1.1658	0.1509	0.2755	0.3832	1.0636	1.1918	0.3379	0.2972	0.3421	1.3117	2.6149	0.1509	2.7696	0.4253	0.3064	0.2136	0.1509	1.1717	0.1509	0.2776	0.1509	0.1509	0.1509	0.2519	2.4077	0.1509	1.1101	2.8937	1.0827	2.2471	0.1509	0.1509	0.1509	0.1509	0.3755	0.4409	0.8412	0.1509	0.2405	0.1509	0.1509	0.1509	0.9364	0.1509	0.7698	2.2061	3.5348	3.8000	0.2868	0.1509	0.1509	0.1509	0.1509	0.3839	2.9561	0.3863	2.0091	1.6643	0.2686	2.3018	2.1652	0.1509	0.1509	0.1509	0.3535
13-HODE + 9-HODE	HODE	1.1213	1	1.3191	1.1156	0.8587	1.0516	1.1208	1.3505	1.1125	2.1058	1.1223	0.8555	1.2004	1.1173	1.4977	2.0463	1.3314	1.1409	0.6594	1.2545	1.9433	0.8872	1.1468	1.0383	1.3687	1.2167	0.6306	0.7204	1.1412	1.7076	1.1719	0.8715	0.9647	0.9633	1.7792	1.1950	0.5197	0.7619	1.0817	0.9497	0.5170	0.7529	2.0961	1.3635	0.9195	0.6698	0.9077	0.4806	1.0629	0.9833	0.8972	1.0499	1.0563	1.3217	1.1835	0.7903	0.7547	0.8548	0.9114	0.6313	0.5918	0.5893	0.7617	0.8930	32.2117	1.0093	1.3451	0.7569	0.4944	0.5507	0.6676	0.4208	0.6982	0.9214	0.7986
13-methylmyristate	Isopentadecylic acid	0.9742	1.2484	1.5724	1.2843	2.0410	0.9955	1.8373	1.2017	2.1960	0.3295	0.7494	1.0526	1.6092	1.5671	0.5700	1.9878	0.9650	3.6995	0.6860	2.9865	1.4783	1.5357	1.7687	1.3550	1.7075	1.0945	0.6711	0.4274	1.0298	2.3335	1.3648	0.8607	0.9487	0.7421	3.3100	0.4077	0.8391	0.5611	1.2081	1.6023	0.5260	0.9007	2.4186	0.9846	1	0.8951	0.8986	0.5094	0.9727	0.6052	0.8805	1.0929	0.9868	1.8588	1.4702	1.3575	0.8775	1.0935	0.8000	0.5647	0.9493	1.0156	1.4432	0.4856	0.4144	0.7495	0.1935	1.1846	0.6313	0.4764	0.7947	0.5317	1.0420	1.0588	1.6754
14-HDoHE/17-HDoHE		0.2062	0.2062	0.9280	0.2062	1.1537	1.1647	0.8668	1.2888	0.9698	0.3743	1.0302	0.4902	0.2062	0.2062	1.1610	2.3904	1.3371	1.6510	0.2062	1.2712	2.9883	2.7896	0.5422	2.2689	2.1754	1.1461	0.7360	0.2062	0.2062	0.2062	0.8429	0.2062	0.2062	0.5535	1.0544	0.2062	0.2062	0.3459	0.2062	0.2062	1.1100	0.2062	0.5495	0.2062	0.2062	0.2062	1.3954	0.2062	0.2062	0.8307	0.2062	0.2062	0.2062	0.2062	0.9088	0.2062	0.2062	0.2062	0.2062	1.1086	0.2062	0.7094	1.5084	0.6318	0.9639	0.9215	0.2062	0.2062	0.2062	0.2062	0.2062	0.2062	0.2062	0.6489	0.2062
1_5-anhydroglucitol (1_5-AG)	1,5-Anhydrosorbitol	1.0992	0.9232	0.9296	0.9683	0.6915	1.1018	1.2348	0.7548	0.8191	0.9641	0.7231	0.9919	1.2286	0.4825	1.0403	0.7778	1	0.8385	0.8526	0.9676	0.6247	0.9038	1.1808	0.8760	0.8380	0.9033	0.6428	1.1119	0.8627	1.2637	1.5804	1.3858	1.0785	0.7355	0.9520	0.6746	1.2983	1.4294	0.9799	0.6574	1.0844	1.1931	0.9443	1.3000	1.2028	0.9595	1.4673	2.2725	1.5643	1.1228	1.2695	1.0193	1.3235	1.4669	1.1761	0.3599	1.2713	0.7241	0.8707	1.1710	1.0854	1.1481	0.9811	1.0424	0.9326	1.4860	0.5074	1.0336	0.6180	1.0658	0.4163	1.0537	1.4769	1.1096	0.9635
15-methylpalmitate	15-Methylpalmitic acid	1.1290	1.1973	1.1481	1.1860	1.7771	0.9240	1.6693	1.1262	1.2027	0.3065	0.7920	0.9293	1.2289	1.1286	0.6809	1.3108	0.9165	2.3623	0.7192	1.8568	1.0430	1.6679	1.6914	1.1325	1.7411	1.0190	0.5518	0.4557	0.9066	1.6295	1.6741	0.9494	1	0.9353	2.1111	0.2942	0.8374	0.4192	1.1021	1.2714	0.4141	0.7413	1.6944	0.6908	1.1295	0.9191	0.9192	0.4530	1.0111	0.7923	1.1173	1.3186	0.8233	1.7344	1.3590	1.1126	0.8730	1.0194	0.9161	0.8152	0.9547	0.8551	1.1956	0.5116	0.3628	0.9383	0.2098	1.3564	0.8463	0.3862	0.8469	0.5103	0.9857	1.1270	1.1405
16a-hydroxy DHEA 3-sulfate	3beta,16alpha-Dihydroxyandrostenone sulfate	1.3920	0.4265	1.3450	2.2983	1.3050	1.1213	1.8608	1.1539	0.7691	0.4474	0.2513	0.3520	1.9320	2.0919	0.5861	0.5578	1.5964	1.2134	0.6768	1.8331	2.1721	0.6407	0.8837	1.2085	2.6829	2.2186	0.8476	0.7461	1.6733	0.3632	2.1310	0.3732	0.7720	0.6980	0.6586	2.4615	0.7626	0.3507	1.4787	1.1565	0.7992	5.4423	0.9326	3.5253	2.8872	0.8377	1.1327	1.5105	0.6337	0.4457	1.6165	1.0705	0.5778	0.7537	1.6927	0.5519	1.1129	0.5526	0.5204	1	0.2744	0.4500	2.4046	0.8057	3.3849	1.0123	0.7688	1.9253	1.1824	1.8634	0.2295	0.9110	1.3213	0.8798	0.6903
16-hydroxypalmitate	Juniperic acid	1.5249	0.7305	1.1040	1.1651	1.3037	0.8469	1.3124	1.0296	1.0304	1.5133	0.9480	1.0718	1.0334	0.7170	2.6544	1.3791	1.3617	2.2909	0.9117	1.5016	1.4892	1.0626	1.4211	1.0773	1.3003	1.2962	0.8076	1.0189	0.9914	1.6770	1.7706	1.1508	0.8214	1.8662	2.3078	0.6712	0.8857	0.5121	1.8368	0.8741	0.8316	0.7541	2.1068	1.1861	1.5163	0.9296	0.8514	0.6661	0.9644	0.8050	0.8023	0.8098	0.8042	1.5521	1.0182	0.8555	0.6179	1.1514	1.3466	0.9668	0.6765	0.5358	0.9289	0.6351	1.1836	1	0.7315	0.8035	0.6194	0.5828	0.8471	0.5788	0.6564	0.8319	1.5463
17alpha-hydroxypregnanolone glucuronide		0.1370	0.2502	0.3454	0.4699	1.6857	0.3606	0.3963	0.3658	0.1370	0.1370	0.1370	0.1370	1.6878	0.2422	0.9732	0.5686	2.0398	3.0136	1.1597	0.5468	3.0060	0.3546	0.9590	1.4701	0.1370	6.8725	0.1370	0.3915	0.4223	0.1370	0.1370	0.1370	2.5740	0.1370	0.1370	0.1370	0.1370	0.2902	2.5198	0.1370	2.0633	0.4800	0.3138	1.0482	0.8044	1.4912	2.6545	2.9273	0.7796	2.0008	0.5228	2.5945	0.3922	0.9315	1.2238	1.1291	0.2979	1.3022	0.7764	1.5785	0.1370	1.4077	1.7728	1	3.5614	2.1151	0.1370	2.8498	1.2086	0.9328	0.3426	0.6652	1.1819	0.4670	1.0840
17alpha-hydroxypregnenolone 3-sulfate		0.2194	1.1925	0.9400	0.3681	0.3765	1.1743	0.8685	0.2194	0.5788	0.2194	0.2194	0.2194	3.0166	1.1963	0.2194	0.4657	0.8976	1.3274	1.1039	2.4857	2.9535	2.1955	0.5881	0.5419	0.2194	2.6946	0.5343	0.6441	1.1884	0.3576	0.8685	0.2917	0.7584	0.2194	0.4126	0.2194	0.2194	0.7229	1	0.6167	0.8215	0.2194	1.4245	1.1955	3.5509	2.3527	2.6501	1.0697	1.6320	2.3115	0.2231	1.1087	0.6917	2.0095	0.9014	0.4877	0.2681	0.2194	0.5148	2.0221	2.1026	1.2825	3.6770	0.4959	3.0187	1.4796	1.7355	1.7994	0.8542	1.6032	0.2194	0.7307	2.1614	0.9727	0.5681
1_7-dimethylurate	1,7-Dimethyluric acid	0.4807	2.2962	1.6988	0.1877	0.2086	0.4101	0.0477	0.0477	0.1593	4.3430	2.1001	0.1508	0.7396	0.9987	1.0013	3.8459	0.5766	0.7654	1.0669	1.7740	3.6408	0.2137	4.6807	1.4105	0.5736	0.4376	0.1777	1.5092	0.1038	1.2880	0.1665	0.5450	0.1125	0.3767	5.3876	0.4911	2.2904	3.8066	2.1514	4.9930	0.0477	0.3554	0.0477	0.0831	1.6459	1.7250	1.4148	0.0477	0.3766	0.0477	0.0477	0.0477	1.4032	0.4373	4.7507	5.1654	8.5781	8.1310	1.3417	0.0477	0.0902	0.6215	0.6780	0.9898	6.2281	1.0521	1.9552	4.7075	0.5365	7.9418	10.2421	0.0779	0.0477	0.1356	0.5372
17-methylstearate	Xi-17-Methyloctadecanoic acid	1.0442	0.9970	0.9323	1.1959	1.7663	0.9081	1.1416	1.0029	1.1766	0.4250	0.6822	0.8174	1.0390	1.0510	0.8100	1.2256	1.0363	2.0324	0.7426	1.4073	1.0442	2.1393	1.2793	0.9142	1.7883	1.0026	0.7314	0.7395	0.8739	1.2983	1.2201	1.0671	0.8954	1.6573	1.6824	0.7485	0.9705	0.4180	1.1355	1.3652	0.7868	0.4994	0.8631	0.7386	1.1896	0.9910	1.0670	0.7148	1	0.9786	0.9804	1.1113	0.9520	1.3788	1.2840	0.8945	0.5863	0.8482	1.0805	1.1359	1.0734	0.8146	1.2018	0.6008	0.4641	0.9156	0.6325	1.5767	0.8294	0.4498	0.9526	0.6164	1.0669	1.6286	1.0712
1-arachidonoyl-GPC (20:4n6)*	LPC 20:4/0:0	0.6510	0.4946	0.5893	0.9664	1.0213	1.3168	0.8600	0.8929	1.1314	1.0140	1.1566	0.7106	1.1481	0.6038	1.1466	1.1648	0.5786	0.8988	0.6353	1.2817	1.0087	1.1217	1.4977	1.2549	0.9879	0.7284	1.1075	0.9432	0.5056	0.9465	0.9952	1.0515	1.5204	0.7099	1.0508	0.4906	0.7992	0.4172	0.8131	0.6628	1.3101	1	1.3085	0.5052	1.1771	1.3364	0.8915	0.8843	0.6323	1.4578	1.6559	1.7051	1.3535	1.2526	1.2012	1.0799	0.9984	0.8020	0.5956	1.3769	1.6252	0.6545	0.9862	1.5224	1.1717	0.9230	0.4287	1.0351	1.4215	0.6050	1.0173	1.1926	1.1789	0.7346	0.7104
1-arachidonoyl-GPE (20:4n6)*	LPE 20:4/0:0	0.8967	0.7736	0.6655	0.9467	1.1023	0.9790	0.6477	1.0076	1.0144	0.9448	0.8824	1	0.9084	0.7632	1.0765	1.0908	0.9086	1.1101	0.9098	1.0742	1.0140	0.9745	1.0767	1.1028	0.9925	0.6900	0.8417	1.1574	0.8708	0.7494	1.4022	0.9910	1.2971	0.8291	1.3015	0.6165	0.8646	0.7424	1.1183	0.7564	1.0140	1.0313	1.5550	0.8222	1.2299	1.3768	0.8640	0.9845	0.7802	0.9171	1.8289	1.6678	0.8739	0.8399	1.1966	1.1981	0.9911	1.0588	0.9046	1.2396	1.0096	0.8094	1.0396	1.1607	1.5316	1.2554	0.4708	1.0673	1.2024	0.9296	1.2735	1.1746	1.1704	0.9388	1.0750
1-arachidonoyl-GPI (20:4)*	LPI 20:4/0:0	1.1470	2.1548	0.8346	1.0568	0.8251	3.2040	1.3906	3.0630	1.2213	1.4871	0.7142	0.7798	0.9947	1.9602	1.2597	0.8263	0.8859	0.7566	0.7000	1.8146	0.9588	1.3646	2.1703	2.8038	0.9471	0.7452	1	0.9163	0.6578	0.9907	1.6283	1.5772	0.9617	1.0782	0.7845	0.9880	0.5994	0.7535	0.8777	1.3091	1.0393	1.3122	1.8210	0.6416	1.1972	1.1086	0.9663	0.5230	1.0831	1.0698	1.9572	1.1093	0.7322	1.4825	1.5544	1.0789	3.4082	0.6461	0.8344	1.2527	1.8924	0.9780	0.6653	0.7238	1.5886	0.8802	0.5302	1.2687	2.7348	0.7250	1.2999	0.7072	0.9856	0.7411	0.7477
1-arachidonylglycerol (20:4)	MG 20:4	1.0559	0.6764	0.3872	0.6805	1.2837	1.5471	1.4255	0.3872	0.9108	0.5893	0.3872	0.6512	1.2071	0.3872	0.6056	1.6249	1.2165	1.3473	0.7098	0.6805	0.3872	1.8035	0.3872	0.9063	1.0185	0.9609	0.9591	0.3872	0.5731	0.7151	2.1621	0.3872	1.6731	0.7445	1.6343	0.5339	0.3872	0.5943	0.3872	0.6322	1.0508	0.3872	0.3872	0.3872	0.5047	0.5523	1.3104	0.3872	1.0547	1	1.8089	1.5289	1.0203	1.3333	1.3343	0.8286	0.3872	0.5784	0.3872	1.0100	0.9165	0.4455	0.6686	0.3872	1.0672	1.1170	0.3872	0.8633	0.3872	0.3872	1	0.3872	1.4990	0.3872	1.0889
1-lignoceroyl-GPC (24:0)	LPC 24:0/0:0	0.8126	0.7137	0.4230	1.2491	1.0746	1.2651	0.4230	0.9774	0.9392	4.3516	0.9798	1.2015	0.4230	1.9619	1.2265	2.6704	0.5638	0.8296	0.6406	1.1289	1.6780	1.0647	1.8630	0.4350	0.4230	0.4230	0.6647	1.0487	1.5960	0.4230	0.5424	0.4230	0.6043	0.5679	0.7984	2.4635	0.6786	0.7522	0.4230	0.4230	1.2239	1.5627	1.3086	0.4230	0.4230	1.3927	0.4230	0.7794	0.7418	1.3357	1.5786	0.8572	1.0202	0.5235	0.4230	0.4230	1.0411	0.4230	1.2550	0.6269	0.7011	0.4230	1.2247	1.5850	0.6993	0.6699	3.6938	0.6217	1.1405	0.6960	0.7721	1.1598	0.5065	1.2922	0.8288
1-linolenoyl-GPC (18:3)*	LPC 18:3	0.6112	0.4149	1.0667	1.0568	0.8963	1.8850	0.6075	1.4376	1.0773	0.6837	0.9088	1.0783	0.7274	0.9847	0.7532	1	0.5876	1.0241	0.6717	0.8904	1.6560	0.6914	0.8387	0.5924	0.7148	0.2626	1.1392	2.1942	0.8070	0.9575	1.0502	1.0199	1.0944	0.2930	0.7374	0.9999	0.6145	0.8165	0.8611	0.4126	0.7536	0.8374	1.3297	1.7970	1.4341	1.2476	1.0946	0.9333	1.0146	1.1652	1.4359	1.1396	1.1325	1.0797	1.6113	1.7277	1.1692	0.6827	0.3567	0.7614	0.8184	1.0471	1.0986	1.6313	1.3903	0.9747	2.1916	0.8073	1.3154	1.4339	1.0706	1.4303	1.1370	0.7768	0.9819
1-linolenoyl-GPE (18:3)*		1.0632	0.7434	1.7820	0.9600	1.1955	1.7174	0.3028	2.1594	0.9655	0.9171	1	2.1650	0.6444	1.2140	0.7837	0.5814	0.5895	0.8984	0.7825	0.9091	1.7145	0.4600	0.6504	0.5167	0.9460	0.3028	0.9386	4.2943	0.8899	0.7002	2.1683	1.4633	0.9858	0.4717	1.2656	1.4588	0.7199	2.1629	0.9987	0.4643	0.3931	0.8128	2.1524	2.9887	1.7280	1.6123	0.8418	1.4389	1.6115	0.9129	2.0662	1.5512	0.9073	1.0492	2.4296	2.7864	1.3490	0.6270	0.3028	0.8082	0.5867	0.8548	0.9614	1.1693	2.0751	1.6630	2.8829	0.5763	1.1262	3.2243	1.6476	1.5441	1.2313	0.7710	1.4707
1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)*	PC 18:2/20:4	1.2321	0.7021	0.9041	1.3316	0.8404	1.2394	0.7823	0.9846	0.9796	1.2799	1	0.9462	0.7869	0.7584	1.1013	1.2747	0.5563	1.0687	0.9910	0.9436	0.9918	1.0227	0.9221	0.5475	0.7239	0.9376	0.8862	0.9999	1.0337	0.9450	1.0054	1.0076	1.0937	0.5741	0.8709	1.0314	1.0075	1.1782	0.8103	0.7413	1.4246	1.0710	1.0926	1.0333	1.2529	0.7709	0.8044	0.9467	0.8011	0.8517	1.3517	1.2491	1.0450	0.9792	1.1425	1.1849	0.9061	1.0579	0.9405	1.3764	1.0530	1.2550	0.8737	1.3882	1.2230	0.9646	0.8496	0.8925	1.1281	1.0486	1.1945	1.2444	1.0257	1.0238	0.7058
1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)*	PC 18:2/18:3	1.5741	0.9871	3.1569	1.5464	0.6460	1.8639	0.5825	3.1320	0.7990	1.1167	1.2561	1.5252	0.3460	2.5357	0.9411	1.2488	0.5372	0.5872	1.0266	1.2759	2.0459	0.8072	0.4673	0.2007	0.5140	0.5213	0.7963	2.0625	1.1147	1.3854	0.9844	1.3319	0.9803	0.3572	0.7976	1.8143	1.2722	3.6758	0.5755	0.5511	1.4032	1.3060	1.4603	4.2199	1.7661	0.9176	1	1.4752	1.6298	0.7709	1.1977	1.1566	0.9560	0.6927	1.2206	0.9795	1.0728	0.9712	0.3301	0.8382	0.5828	1.0155	0.5739	0.7844	1.1484	1.4300	4.7090	0.5686	0.8567	2.4287	0.8336	1.8510	0.8263	0.9440	0.3535
1-linoleoylglycerol (18:2)	MG 18:2	1.8906	1.3642	1.3683	0.7967	0.7334	0.9657	1.8330	0.5841	0.9939	1.1995	0.8764	1	1.3367	0.6755	0.6223	0.7253	0.9614	0.8420	0.6709	0.5921	0.8236	2.0838	0.8311	1.2984	1.0219	2.0864	1.9222	1.1916	1.6686	0.7362	2.1582	0.3084	2.2061	0.6168	0.8143	0.7997	0.4362	0.8674	0.8453	1.8007	0.8609	0.7310	0.8947	0.9097	0.7581	1.0258	2.7929	0.9268	1.2215	1.2942	2.3768	2.2575	1.3802	3.1982	1.3406	1.0018	0.8519	1.0698	0.8516	1.6477	2.1636	0.4980	0.7932	0.8310	1.7997	1.8600	1.1022	2.2541	2.2390	1.3615	1.0539	0.6665	1.5527	0.5925	0.5739
1-linoleoyl-GPA (18:2)*	LPA 18:2/0:0	0.9772	1.6932	0.8370	0.9889	0.3892	1.5835	0.4721	2.8748	1.8662	0.3892	0.3892	0.3892	0.6585	1.3415	1.2242	1.4012	0.8515	1.1671	0.7119	1.6313	2.8508	1.7362	1.1702	1.0921	1.4793	1.6213	1.5400	0.3892	1.7285	0.3892	0.3892	0.8068	1.0702	0.4538	0.8764	1.0628	0.3892	3.7701	0.8516	0.5659	0.3892	0.9958	1.0302	1.0162	0.3892	1.0213	0.5457	0.9258	0.3892	0.7023	0.6174	0.7979	1	1.7934	0.3892	0.3892	0.6714	1.1555	0.3892	0.6167	0.6143	0.3892	2.6194	0.8321	0.3892	1.8845	1.6949	0.3892	0.8401	0.9984	0.3892	0.4016	0.6704	0.6401	0.3892
1-linoleoyl-GPC (18:2)	LPC 18:2/0:0	0.6477	0.6513	0.9768	1.0303	0.8504	1.3519	0.6012	1.4575	1.1163	1.5740	0.8586	0.7535	0.9991	1.1452	1.0945	1.4436	0.7145	0.7828	0.7853	1.1115	1.3280	0.8920	0.9041	0.7623	0.9646	0.4708	1.0084	1	0.5381	0.9579	0.7557	0.9207	1.2356	0.5762	0.9563	1.3862	0.7469	0.7951	0.7332	0.6511	1.0442	0.8561	1.1024	1.2568	1.2125	1.2308	1.1059	1.1075	0.9480	1.0835	1.3533	1.1436	1.4058	1.2890	1.1534	1.1016	1.1841	0.8884	0.6093	0.9394	0.9247	0.6708	1.3062	1.0563	1.9094	1.2276	1.4799	0.8369	1.2299	1.1237	0.8498	1.0352	1.0347	0.8362	0.7692
1-linoleoyl-GPE (18:2)*	LPE 18:2/0:0	0.7630	0.9093	1.2306	0.8909	0.8870	1.1732	0.4345	1.6962	0.9999	1.8978	0.6332	1.1837	0.7973	1.2214	1.0881	1.4324	0.8349	0.8036	0.7860	0.8711	1.2464	0.6155	0.7111	0.5737	0.8392	0.3375	0.7104	1.7607	0.7454	0.6501	1.2899	0.7662	1.0951	0.7133	1.2238	1.5040	0.7330	1.2438	0.9121	0.6672	0.6873	0.7799	1.4922	1.7807	1.5749	1.2661	1.0521	1.1947	1.1816	0.8581	1.7848	1.3004	1	1.1695	1.3213	1.6898	1.1347	1.0382	0.7416	0.9189	0.6994	0.5558	1.2153	0.9101	3.0425	1.7850	1.5619	0.7897	1.0082	1.6349	1.0942	0.8681	0.8982	0.7016	1.1369
1-linoleoyl-GPG (18:2)*	LPG 18:2/0:0	1.0017	1.0653	1.1099	0.8621	0.9110	1.1308	1.2264	2.1180	1.2829	1.4011	0.7184	0.5524	0.6171	1.7003	1.0131	0.7372	1.0761	0.5329	0.8986	1.5348	1.3343	0.7818	0.7187	0.9910	0.7668	0.8275	0.8361	1.0609	0.6847	1.2242	1.6924	1.2113	0.5126	0.4140	0.4140	0.9881	0.4971	0.7914	1.3820	0.9545	0.7483	0.8198	1.8399	1.1714	0.6865	0.7048	1.1256	1.0214	1.3901	0.7305	0.9811	1.7738	0.9226	0.9472	1.4713	1.2174	1.9506	1.3922	0.6889	1.0690	1.2253	1.0776	0.7895	0.4140	2.1781	1.2712	0.6696	1	0.8039	1.2017	1.2140	0.6717	1.0686	0.4328	0.5644
1-linoleoyl-GPI (18:2)*	LPI 18:2/0:0	1.2324	3.2308	1.3733	1.0170	0.9735	2.8660	1.1506	3.3399	1.4779	2.9159	0.8103	0.8336	0.5592	3.2641	0.9520	1.1415	0.9754	0.8124	0.8287	2.4211	0.7671	0.9603	1.4287	2.4150	1.1361	0.8201	0.7102	1.1275	0.9483	0.4894	1.6229	1.8697	0.4703	1.1849	0.3517	1.4061	0.7013	1.1294	0.6124	0.8222	1.1970	0.8347	3.5682	1.0836	1.0562	0.7456	0.9636	0.6047	1.1509	0.9957	1.0846	0.7136	0.5979	1.6241	1.9976	1.0068	3.2919	0.5407	0.9031	1.3907	1.5595	0.9602	0.5235	0.5572	2.0108	0.7456	1.6262	0.7670	1.5234	1	1.0563	0.3809	0.9007	0.5814	0.5063
1-methylhistidine	1-Methylhistidine	0.8170	0.6537	0.6503	0.7950	1.3346	1.4152	1	0.6690	1.3116	1.2103	1.1728	0.6033	1.1085	0.4662	0.8845	0.6744	0.6748	0.9997	0.7621	0.9090	0.6843	1.0424	0.7256	0.9446	1.0225	0.6881	1.0388	0.7123	0.8978	1.0825	0.7761	0.7999	1.3723	0.7901	1.2224	1.1388	0.7814	0.9459	1.3182	1.0534	1.1773	0.7339	0.8031	0.8341	1.1483	1.0116	1.5501	1.6938	0.8992	0.9643	1.3823	1.0981	1.3651	1.5664	1.3072	1.0044	0.8561	1.3220	1.3666	1.3666	0.8110	1.1940	1.4039	0.8077	0.8310	0.7813	1.1424	0.8014	1.2302	1.0210	0.9673	1.1984	0.9675	1.3899	1.3220
1-methylimidazoleacetate	Methylimidazoleacetic acid	0.6607	1.0778	0.9804	0.8901	1.2706	1.1098	1.2102	0.7796	0.8634	1.3292	1.7550	1.0411	1.0702	1.0290	1.1481	1	0.7581	0.9610	1.3313	1.9242	0.7311	0.6906	0.9464	0.6400	1.1546	0.5497	0.7816	0.6626	1.3056	0.9349	0.9381	0.9594	0.7669	0.6201	1.4790	1.0731	0.9601	1.0987	1.2239	0.9183	0.4879	0.8797	0.7565	0.9685	1.4735	1.5136	0.9101	1.3048	0.9238	1.0937	2.2638	0.8820	1.2007	1.0163	1.2949	0.9492	0.8958	0.9810	0.8849	1.2682	1.3828	0.6656	0.8109	1.3516	0.9616	1.9387	1.2225	0.9901	0.7385	1.3389	1.0841	1.0119	1.1330	1.1569	1.4438
1-methylnicotinamide	1-Methyl nicotinamide	1.8166	1.6244	2.4428	1.0507	0.7574	1.3618	0.5148	0.7734	2.9704	0.9030	0.6381	0.6069	0.6076	1.1173	0.5902	1.4567	0.7860	1.4705	0.2777	1.8090	0.8867	1.1734	1.2904	0.6683	0.3651	1.8227	0.7319	1.1548	2.1524	1.4122	1.0239	1.0304	1.0523	0.9606	0.8351	0.6278	1.1622	1	1.3291	1.5976	0.4246	1.2923	1.1700	0.7579	0.8757	0.5655	1.0668	1.1426	0.8191	0.9670	1.1505	0.8714	2.7755	1.1914	0.8818	1.1481	1.1962	0.9666	1.0852	0.7166	0.6809	0.8988	1.2292	0.4078	0.4904	0.8363	1.0092	0.7833	1.6143	0.5477	0.8152	0.6536	0.8968	1.2345	1.3716
1-methylurate	1-Methyluric acid	0.4409	2.0305	1.8745	0.5903	0.4673	0.8091	0.5285	0.1393	0.4509	5.6546	3.4232	0.3952	1.1846	1.8660	3.0155	2.1458	0.7668	0.8506	0.9219	1.5511	5.6932	0.5985	5.1465	0.9615	1.0248	0.4165	0.4549	2.7282	0.3652	1.6255	0.4881	0.5436	0.4936	0.1393	5.7287	0.4710	2.8060	3.5224	4.9007	5.1580	0.1393	0.5523	0.3100	0.3423	2.7476	2.7540	2.4943	0.4108	0.7230	0.5483	0.4548	0.3757	3.7443	1.0453	4.6444	7.0714	7.0999	14.7280	1.4569	0.3469	0.2731	0.5843	2.3334	0.9459	13.7519	1.3319	7.3324	5.5472	0.9752	10.9165	5.7105	0.5667	0.1393	0.3799	0.9585
1-methylxanthine	1-Methylxanthine	0.1921	1.0177	1.1248	0.1921	0.1921	0.1921	0.1921	0.1921	0.1921	1.7469	0.8328	0.1921	0.5353	1.0880	1.5605	1	0.5711	0.3871	0.4548	0.6506	2.7014	0.1921	2.6682	0.8532	0.5288	0.2709	0.2216	0.9877	0.1921	0.6437	0.1921	0.2127	0.1921	0.1921	2.6591	0.1921	1.0060	1.9531	2.5927	2.2841	0.1921	0.1921	0.1921	0.1921	0.7969	0.9393	0.7101	0.1921	0.1976	0.1921	0.1921	0.1921	1.2878	0.2982	1.7441	2.2919	5.0057	5.7692	0.1921	0.1921	0.1921	0.2596	0.7786	0.1921	5.5705	0.7594	2.2639	1.9805	0.1921	5.3952	1.7826	0.1921	0.1921	0.1921	0.1921
1-oleoyl-2-linoleoyl-GPC (18:1/18:2)*	PC 18:1_18:2	1.0214	0.7263	0.8183	1.1202	0.8820	0.9466	0.7818	1.8835	0.7009	1.5636	0.8229	1.1705	1.1507	1.9946	1.3672	1.1463	0.9994	0.9470	1.1004	0.7847	1.6685	0.7790	0.8859	0.6118	0.7326	0.7650	0.8527	0.7587	0.9520	1.0617	0.5859	1.1777	1.0244	0.9868	0.8758	2.9803	1.1059	1.3491	0.8892	0.8794	0.9959	1.2162	1.0465	1.2912	0.9514	0.9286	0.7516	1.4500	1.1434	1.0356	1.1053	1.2181	0.8600	1	1.0825	0.8720	1.6667	0.9802	0.7296	0.6771	0.7233	1.2083	1.2384	1.0925	2.2033	1.2344	3.1398	0.6472	1.3278	0.9150	1.1604	1.5268	0.9005	1.3041	0.7232
1-oleoylglycerol (18:1)	MG 18:1/0:0/0:0	0.9005	1.9794	0.9995	0.7700	0.8161	2.2801	1.1837	0.3127	1.6727	0.4966	1.1814	1.4609	1.1394	0.3112	0.7933	0.7492	1.1880	1.4811	1.1524	1.4174	0.5998	1.0456	2.2759	0.3189	0.7771	0.9916	0.8220	1.7271	2.0566	0.6183	3.0969	0.3112	1.2417	1.4330	0.8581	0.6299	0.8288	1.0092	1.6095	1.8908	1.0201	0.5073	2.3637	0.4647	1.0146	0.9730	2.3857	0.4856	0.6846	0.9208	2.3245	1.1440	0.8835	0.4278	1.1358	1.5839	0.5816	1.1512	0.8876	0.9417	5.8748	0.4636	0.4368	1.1032	1.3360	1.6036	0.9275	1.3488	0.4378	0.6322	5.1956	0.5993	0.7762	0.4383	1.0005
1-oleoyl-GPC (18:1)	LPC 18:1/0:0	0.6291	0.6137	0.8439	0.9840	1.0382	1.1647	0.6779	1.4430	1.1468	1.1931	0.8345	0.8752	1.0235	1.1492	1.1401	1.5194	0.7468	1.0428	0.6769	1.1066	1.5488	0.9337	1.1454	0.8333	0.8114	0.5131	0.8925	1	0.6761	0.8282	0.7479	0.8949	1.3579	0.6678	1.1485	1.3934	1.0403	0.7055	0.9298	0.8365	0.8740	0.9990	1.3712	0.9347	1.3363	1.4535	1.1073	0.9895	0.8647	1.2774	1.3468	1.2357	1.3211	1.1307	1.0178	1.0598	1.2078	0.8886	0.6429	0.9217	0.9428	0.6725	1.4132	1.3802	1.8238	1.2093	1.5193	0.9213	1.6708	0.7685	1.0171	1.1280	0.9601	0.9412	0.9450
1-oleoyl-GPE (18:1)	LPE 18:1/0:0	1.0020	1.0482	1.2504	0.9930	1.0595	0.9405	0.4994	1.5477	0.9421	1.5431	0.6258	1.1499	0.7204	0.9003	1.3771	1.6417	0.5646	0.9769	0.5584	0.9489	1.7810	0.6671	0.8573	0.5616	0.7489	0.5029	0.6725	1.2241	0.6900	0.4473	1.1197	0.6828	1.0117	0.8877	1.0917	2.2173	1.5417	1.4016	0.9805	0.8709	0.7487	0.7709	1.6883	1.1680	1.2599	1.1314	0.8948	1.1944	0.9730	0.9992	1.7012	1.4250	0.9402	0.9540	1.3238	1.6906	1.0016	0.7609	0.8480	1	0.9485	0.5892	1.2405	1.1777	4.1532	1.6924	2.4432	0.7827	1.6157	1.0363	1.4187	1.0146	0.9350	0.8735	1.0088
1-oleoyl-GPG (18:1)*	LPG 18:1/0:0	0.9027	1.4343	0.7772	0.7183	1.3328	0.8934	1.0380	2.0794	1.5668	1.3108	0.6574	0.7810	0.8290	1.8985	0.5036	1.6191	0.7915	1.0917	0.6845	2.7677	1	1.5506	1.1832	1.6372	0.5809	0.9056	0.7913	0.9158	0.8688	0.6092	0.9401	1.9334	0.5036	0.6799	0.5036	1.0846	0.9690	0.8990	1.2040	1.5526	0.6342	1.2334	2.3581	0.7869	0.9489	0.7396	0.8560	0.7830	1.1177	0.5364	1.1197	1.1523	1.3133	0.5602	1.1039	1.2999	2.4960	1.0968	0.9157	1.4283	1.1293	0.9961	1.0483	0.8349	2.4195	1.1834	0.6577	0.7473	2.2365	0.6901	1.0674	0.9033	1.0267	1.0006	0.9473
1-oleoyl-GPI (18:1)*	LPI 18:1/0:0	1.0678	1.5868	1.1413	0.9762	0.7713	1.4086	1.1052	4.5483	1.8089	1.9239	0.6003	0.9746	0.4761	2.1827	1.4711	1.7750	0.7027	1.1643	0.5899	3.7161	1.1654	1.1449	1.8074	3.0333	0.5952	0.6446	1.1225	1.1661	0.8165	0.6370	0.9475	1.4689	0.6891	0.8425	0.4194	3.8005	2.0126	1.6232	0.9194	1.2463	1.7435	1	3.3606	0.9434	0.9984	0.6631	0.8540	0.7029	0.9022	0.8444	0.7828	0.6919	0.6124	1.0149	1.5935	1.2243	4.3136	0.5412	1.2732	0.7744	2.0787	0.9480	1.0438	0.8373	3.2118	0.8678	2.9748	0.9200	4.4537	0.7093	1.8509	0.6641	0.7891	0.8536	0.5051
1-palmitoleoylglycerol (16:1)*	MG 16:1	1.3133	0.5397	1.1596	0.5397	1.5938	0.5397	1.0010	0.5397	2.5094	0.5397	0.5397	1.1174	2.5910	0.5397	0.5397	0.5397	1.5277	1.8035	0.5397	0.5397	0.5397	0.5397	1.2459	0.7784	0.5397	0.5397	0.5397	1.6621	0.6125	0.5397	3.4796	0.5397	0.5397	0.5397	0.5397	0.5397	0.6801	0.5397	0.5397	0.8132	0.9897	0.7099	0.5397	0.5397	0.5397	0.5397	2.0958	0.5397	0.5397	0.9399	2.0037	0.9990	1.4074	0.9777	0.5397	1.4451	0.5397	0.5397	1.5512	1.0186	0.9432	0.5397	0.5397	1.1123	0.7357	0.6993	0.5773	0.9975	0.5397	0.5397	0.9166	0.8137	0.9436	0.8120	0.5397
1-palmitoleoyl-GPC (16:1)*	LPC 16:1/0:0	0.7789	0.8697	1.1301	0.8452	1.4886	1.3245	0.6821	1.0235	1.4101	0.9299	0.7131	1.2129	1.4639	0.8211	0.6540	0.9033	0.8669	1.3768	0.7520	1.1636	1.2718	0.7062	1.2462	0.8432	0.7428	0.3915	0.6877	1.3633	0.8258	0.9481	1.0766	1	0.9966	0.6187	1.1396	0.6866	0.7558	0.7540	0.8822	0.6525	0.7296	0.9811	1.9863	1.0027	1.9926	1.6196	1.4490	0.7275	1.2203	1.3992	1.6313	1.3838	1.3774	1.0449	1.1719	1.3179	1.1115	0.9321	0.6304	1.1531	0.8768	0.6582	0.9531	1.8511	1.4651	0.7630	0.6033	1.3152	1.4945	0.7963	1.1344	1.0537	1.0216	0.7170	1.1903
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)	PC 16:0/20:4	1.1476	1	1.1220	0.8931	1.0027	1.0671	0.9279	0.7760	1.1628	0.8956	0.9462	0.9078	0.9689	0.6594	0.9540	0.9407	0.7873	1.2010	0.8263	1.2976	0.9050	1.0915	1.0201	1.0300	0.9049	1.2371	0.8773	0.9633	1.3110	1.0384	1.2263	0.9899	1.0681	1.1305	1.1431	0.7368	1.1004	1.1204	0.9716	1.0989	1.2264	1.0037	1.0841	0.8410	0.9494	0.9611	0.8553	0.8218	0.7694	0.9818	1.3026	1.0690	0.9965	0.9550	1.0567	1.0142	0.8896	1.0769	1.0837	1.5159	1.0944	0.9675	0.7968	1.0480	0.9407	0.8414	0.5429	1.0204	1.1031	0.8981	1.1131	1.0635	1.1008	0.9999	0.9484
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)*	PE 16:0/20:4	2.0210	2.3028	1.9602	0.6032	1.3003	0.8697	0.8607	0.7753	1.4441	0.8011	0.6201	1.1458	0.6005	0.7023	1.2038	0.9088	1.4391	1.5334	0.7492	2.2758	0.8429	1.1226	0.9405	1.1148	0.7330	2.5030	0.4681	1.3945	1.2615	0.3430	1.8166	0.5937	1.6969	1.6419	1.2541	0.5287	2.0846	2.9430	1.5971	1.7623	0.8587	1.3617	2.6953	0.7265	1.0596	0.7540	1.0195	0.7090	1.0820	0.5378	1.8134	1.1343	0.7028	0.5307	1.1339	1.6982	0.6484	0.6116	1.4244	1.5794	1.1384	0.5244	0.6867	0.9771	0.8618	0.9172	0.5218	1.2524	1	0.4355	1.7949	0.4748	0.5940	0.6409	0.7858
1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)*	PI 16:0/20:4	1.0333	0.8531	2.1263	1.0311	0.4969	1.3309	0.7023	0.8100	1.2189	1.1113	0.5962	1.2750	0.6867	0.6072	1.2444	1.0529	0.8303	1.4339	0.8146	1.2883	0.8535	1.1425	0.5334	0.6975	0.5512	1.5497	0.6784	2.2613	1.2437	0.7509	1.6813	0.5735	0.9719	1.0234	1.4782	0.6712	1	1.6926	1.3047	1.2852	0.9611	0.8910	0.9674	0.8345	1.2302	0.9172	1.1346	0.6604	1.3311	0.7124	1.4048	1.2323	0.6876	1.1367	1.5091	1.8102	0.6466	0.7346	1.1943	1.3866	0.9298	0.8134	0.6999	1.2519	1.2920	0.7537	0.2728	0.9461	1.0691	1.3055	1.5838	0.7418	0.6614	0.6565	1.1266
1-palmitoyl-2-gamma-linolenoyl-GPC (16:0/18:3n6)*	PC 16:0_18:3	0.7048	0.5655	1.2266	1	0.9204	1.5764	1.0318	0.9640	1.4949	0.7410	0.7664	1.3723	1.0896	0.4087	0.5878	0.6609	0.6382	1.8287	0.6992	0.9104	1.1889	0.6819	0.8154	0.6366	0.3846	0.6336	0.8636	2.6006	1.7560	1.2384	2.1483	1.1015	0.8734	0.4195	0.5300	0.9051	0.7706	1.0949	0.8247	0.5074	0.7953	1.0030	1.1583	1.5567	1.5426	0.7928	1.0190	0.7252	1.2278	0.8268	1.4647	1.3225	0.7633	0.9548	1.7270	2.2715	1.3699	1.1615	1.0779	1.3623	0.7207	1.7635	0.6735	2.0114	1.3479	0.7032	0.6979	1.0379	0.9183	1.6482	2.2127	1.0973	1.0123	0.7724	1.3652
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)	PC 16:0/18:2	1.0942	1.0576	1.3268	0.9326	0.9371	1.0946	0.8470	1.0598	1.1789	1.1964	0.8514	0.9980	0.9796	1.0022	0.8791	1.0593	0.8826	1.0585	0.9171	1.3149	1.1088	1.0616	0.7666	0.8243	0.9265	0.9972	0.8542	1	1.1595	1.0748	1.0687	0.9543	0.9793	1.0298	1.0345	1.1645	0.9499	1.2585	0.8954	0.9776	1.1437	0.9245	1.0246	1.2664	0.9621	1.0464	1.0764	0.9320	1.0447	0.8966	1.1937	0.8723	1.0286	1.0902	1.0449	1.0096	1.0850	1.0855	0.9393	1.2621	0.8162	0.8765	0.8829	0.8747	1.1369	1.0530	0.9178	0.8621	0.9552	1.1265	0.9749	0.9506	0.9698	0.9043	0.9482
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)	PE 16:0/18:2	2.6147	3.9557	4.7138	0.6147	1.1818	1.0407	0.6985	1.0340	1.6778	1.3426	0.5083	1.4749	0.5520	0.9652	0.8698	0.8180	1.3749	1.3096	0.8631	2.5020	0.8933	0.8817	0.5336	0.6920	0.7167	2.4310	0.3863	1.8843	1.2330	0.3409	1.9253	0.5749	1.4843	1.6669	1.0051	1	2.1679	5.2589	1.4177	1.6967	0.6322	0.9489	3.0010	1.5227	1.0184	0.6528	1.4777	0.8077	1.6653	0.4742	1.9754	0.7928	0.8241	0.8073	1.2306	2.2350	0.7419	0.6030	1.3377	1.4139	0.6793	0.4002	0.6262	0.6402	1.0898	1.2670	1.4063	0.9359	0.6503	0.9895	1.4101	0.3493	0.4564	0.4637	0.9244
1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)	PI 16:0/18:2	1.1345	1.9652	3.5787	0.7138	0.6768	0.9056	0.9762	1.6393	2.2069	1.6523	0.5138	0.0859	0.1486	1.1199	1.2535	0.9264	1.0946	0.9710	1.3311	1.7345	0.0859	0.3889	0.0859	0.5792	0.7019	2.2865	0.3079	2.3809	2.3384	0.3440	2.6478	0.8830	0.8698	1.8959	1.1704	1	1.5143	2.4807	0.8138	1.1253	1.2820	0.6197	2.3027	1.3518	0.8424	1.0070	1.1022	0.7477	1.9659	0.5291	0.7930	1.0144	0.3639	0.9689	2.7136	3.0005	0.3750	0.4489	1.0775	1.3825	0.7281	0.9864	0.4244	0.9576	1.8646	0.8243	0.0859	0.5484	0.6114	1.0482	1.0465	0.3367	0.2783	0.0859	1.0954
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)	PC 16:0/18:1	1.1123	1.0604	1.2774	0.8731	1.0777	1.0729	0.9427	1.0195	1.3293	0.7817	0.7722	1.0581	0.9199	0.8658	0.8389	1.1056	0.8868	1.3100	0.7297	1.2841	1.0576	1.0785	0.9752	0.8232	0.7470	1.1963	0.8036	1.1024	1.3228	0.9099	1.1171	0.8377	1.0671	0.9980	1.2672	0.9846	1.2643	1.2407	1.0757	1.1739	0.8207	1.0327	1.2976	0.9353	1.1302	1.1618	1.1107	0.6688	0.9694	0.9554	1.1707	0.9474	0.9468	0.8591	0.9622	1.1387	0.9236	0.8737	0.9444	1.1653	0.8389	0.8017	1	1.0866	1.0260	0.8600	0.7884	1.0426	1.2293	0.7429	1.1400	0.8637	0.8400	0.9069	1.0915
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)	PE 16:0/18:1	2.8247	3.6177	3.0551	0.5976	1.2469	0.8171	0.9510	0.8345	1.6954	0.7158	0.4988	1.6601	0.6600	0.6352	1.1636	0.9202	0.8811	1.3965	0.6459	2.1451	0.9393	0.9954	0.7580	0.7645	0.6924	3.0373	0.4354	1.6544	1.2240	0.2427	2.4957	0.5008	1.2259	1.7215	1.1431	1.0256	3.9751	3.7964	1.5555	2.2611	0.7467	0.9908	2.8281	0.9608	1	0.6119	1.4098	0.6506	1.4205	0.5957	2.0817	1.0505	0.6323	0.5923	1.3127	2.8333	0.6749	0.5356	1.8341	1.9208	1.0892	0.4862	0.6307	1.0135	1.0902	1.1471	0.8468	1.1391	0.8433	0.5261	2.1249	0.4594	0.5040	0.6612	1.0285
1-palmitoyl-2-oleoyl-GPI (16:0/18:1)*	PI 16:0/18:1	1.2824	1.2808	2.3997	0.8114	1.0612	0.6429	0.8105	0.9262	2.3246	1.0407	0.4978	1.2011	0.4274	0.5322	1.1070	1.3896	0.6654	1.6041	0.6889	2.0819	1	1.2854	0.4582	0.7526	0.4044	1.6756	0.6590	1.8465	1.6905	0.4660	1.7443	0.6428	0.8325	1.0773	1.1188	1.5876	2.9825	2.0652	1.2735	1.6096	1.1435	0.6894	2.7732	0.9590	1.1004	0.4145	1.1253	0.3125	1.2542	0.3231	0.6500	0.6774	0.6271	0.8987	1.1859	1.9849	0.6700	0.6002	1.2164	1.3455	0.7471	0.6729	1.2114	0.9374	1.8781	0.6761	0.9734	0.8074	1.2756	0.6957	1.5861	0.5388	0.4945	0.8902	1.1836
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)*	PC 16:0/16:1	1.8267	1.2260	2.3059	0.9992	1.4497	1.2043	0.9728	0.6590	1.9402	0.5898	0.5999	1.8657	1.1525	0.7784	0.4343	0.6911	1.0365	1.8292	0.6637	1.5054	1.0531	0.7746	0.8759	0.8337	0.5449	1.2213	0.7310	2.0563	1.7341	1.1136	2.3475	0.8209	0.7532	0.6924	1.7595	0.8457	1.6950	1.9501	1.4474	1.0126	0.4962	1.0364	2.3649	1.0597	1.8125	0.7930	1.5659	0.3820	1.4500	0.7776	1.1729	0.8808	0.9765	0.7308	1.0550	1.9654	0.8989	0.5632	1	1.2459	0.6423	0.8132	0.7782	1.4429	0.9585	0.4747	0.4432	1.3705	1.0535	0.6746	1.6488	0.6030	0.7448	0.5889	1.6334
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)	PC 16:0/18:0	0.8292	0.8153	0.8756	0.8796	0.9634	1.2794	0.6704	1.0375	1.2668	1.0566	0.9405	1.0058	0.8544	0.8732	1.1524	1.1404	0.7187	1.1240	0.9285	1.1428	1.1108	1.0824	0.8342	1.0154	0.8822	0.7712	1	1.1019	0.9554	0.9453	1.1118	0.8911	0.9952	0.7972	1.0979	1.0001	0.9287	0.9149	0.7960	0.8085	1.2253	0.9629	0.9479	1.0552	0.8970	1.2910	0.8566	1.0423	0.9231	0.8966	1.3161	1.1197	1.1115	1.0236	1.1927	1.2694	1.0209	1.1426	0.8700	1.3365	1.0645	0.9940	1.1556	1.0030	1.1997	0.9681	0.6526	0.8344	1.2256	1.0610	1.0628	1.0276	0.8506	0.9734	0.9170
1-palmitoylglycerol (16:0)	MG 16:0/0:0/0:0	1.1013	1.0036	1.1709	0.7237	0.9194	3.4398	1.1928	1.3235	1.1002	0.8322	0.9224	1.0660	1.1286	0.5701	0.7818	1.2776	1.0493	1.2445	0.7098	3.9848	0.8028	1.5257	0.7152	2.0438	0.9256	1	0.8154	0.9511	0.5701	0.7574	2.0943	0.5759	0.8943	0.5701	0.9963	0.7487	0.7602	0.9154	0.9428	1.8265	0.5999	1.3612	1.2113	0.7805	0.5701	1.0051	1.4120	0.6713	1.2081	1.1228	1.5373	1.3144	1.1213	1.2619	1.4079	1.1370	0.5701	0.7282	0.9520	1.1038	1.3416	0.6623	1.0986	0.9373	0.9914	1.1090	0.9473	1.0701	0.9467	0.8787	0.9121	0.6320	0.9297	0.8628	1.2996
1-palmitoyl-GPC (16:0)	LPC 16:0/0:0	0.7571	0.9201	1.0138	0.8397	0.9620	1.1198	0.7149	1.1158	1.0980	0.9749	0.8654	0.8851	0.9973	0.9610	0.9451	1.0397	0.8059	1.1079	0.8301	1.1167	1.0452	0.9563	1.0065	1	0.8723	0.6897	0.8772	1.1863	0.8805	0.8511	1.0645	0.8144	1.1201	0.8508	1.0310	0.9022	0.8908	0.8273	0.8265	0.8960	1.0987	0.8979	1.1038	0.9972	1.0784	1.3566	1.1594	0.9754	0.9488	1.1371	1.3077	1.0950	1.1549	1.1738	1.0687	1.0805	1.0383	1.0467	0.7509	1.1716	1.1368	0.7907	1.0371	1.2404	1.2060	1.1052	0.8115	0.9718	1.1441	1.0212	0.9831	1.0769	0.9988	0.8646	1.0460
1-palmitoyl-GPE (16:0)	LPE 16:0/0:0	1.2147	1.4744	1.3353	0.5975	1.1465	0.8985	0.3884	1.2590	1.3590	0.9187	0.7321	0.9270	0.7242	0.9897	0.8782	1.0285	1.1240	1.1956	0.7931	1.5397	1.0500	0.8707	0.9206	0.9969	0.8123	0.9465	0.7382	1.5369	1.0624	0.5240	1.2012	0.6214	1.2709	1.0640	1.3861	0.5888	1.2475	1.2792	1.0918	1.2638	1	0.8754	1.8953	0.8365	1.1409	2.3912	0.8077	0.7606	0.7335	0.9009	1.5134	1.2441	1.0701	0.7562	0.8649	1.4301	1.0106	0.7857	0.6095	1.0695	1.0458	0.4911	1.3293	1.0063	0.9523	1.1340	0.6291	1.0574	1.2723	0.8670	1.0277	0.8195	0.7644	0.6807	0.9793
1-palmitoyl-GPG (16:0)*	LPG 16:0/0:0	0.4548	1.1354	1.5246	0.6027	0.8580	0.6591	0.4548	1.1991	0.4548	1.1035	0.4548	0.7270	0.4548	1.1109	0.4548	0.9284	0.7076	1.0004	1.1420	1.3890	0.5196	0.8341	0.6715	1.2951	1.1860	0.4548	0.5953	1.0299	0.4548	0.4548	1.5952	0.6742	1.1819	0.4548	0.4548	0.5139	0.8107	0.6425	2.1135	0.4548	0.4548	0.8511	1.4974	0.8081	1.1571	0.6494	0.6246	0.4617	1.2031	0.6677	1.1440	1.2436	0.8407	0.4548	1.2564	1.1762	1.4925	0.4548	0.8530	1.2493	1.7786	0.4548	0.8587	0.9996	1.1467	1.1720	0.4548	1.4588	1.9228	0.7650	0.7557	0.4548	0.7611	0.5914	1.1457
1-palmitoyl-GPI (16:0)	LPI 16:0/0:0	0.2304	1.7784	0.2304	0.3739	0.2304	2.6886	0.6238	1.8700	2.4455	1.8908	0.4773	0.6369	0.2304	2.7103	0.6336	0.2304	0.2304	1.3998	0.2304	5.5848	0.4293	1.3370	1.7274	4.9071	0.2304	0.7321	1	1.1238	0.7132	0.2304	0.9132	1.5199	0.2840	0.2304	0.2304	0.8346	2.0312	0.6530	0.6842	0.8778	1.4633	0.5803	6.0265	0.2304	0.2304	1.3349	0.8511	0.2304	0.7229	0.2304	0.2304	0.3531	0.2304	1.7250	1.0132	1.4610	2.8920	0.2304	0.2304	0.2304	1.4349	0.2304	0.2304	0.2304	0.2304	0.5188	0.2304	0.2304	3.8039	0.2304	0.7819	0.2304	0.3351	0.2304	0.3697
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)	PC 18:0/20:4	0.9287	0.8030	0.8306	0.9912	0.9739	1.0540	1.0025	0.8041	1.0590	1.1026	1.0130	0.8837	0.8771	0.7182	1.0672	1.0846	0.8209	0.9907	0.8957	1.0763	0.9083	1.1585	1.0643	1.0273	0.9862	1.1175	0.9641	0.9820	1.0934	1.0335	1.1444	1.0464	1.0167	0.9769	1.0147	0.7616	0.8591	0.8642	0.8174	0.8990	1.3316	1.1264	0.8739	0.8593	0.9537	0.9676	0.8440	0.9629	0.7899	1.0328	1.2079	1.1113	1.0275	0.9275	1.1709	1.0421	1	1.1058	1.1166	1.5540	1.1414	1.0358	0.8112	1.1073	0.9345	0.8953	0.5160	0.9105	1.0343	0.9817	1.1782	1.1612	1.0964	1.0763	0.8921
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)	PE 18:0/20:4	1.3732	1.4908	1.2976	0.6051	1.0234	0.9078	0.8875	0.8811	1.3414	0.9409	0.6694	1.0704	0.6745	0.7636	1.4328	1.0123	1.2619	1.3817	0.7650	1.7557	0.8904	1.3021	0.9491	1.1890	0.7907	1.7877	0.5957	1.2089	1.0245	0.4404	1.8648	0.5829	1.4843	1.2115	1	0.5635	1.3899	2.1584	0.9521	1.2336	1.1558	1.5051	1.7133	0.7984	1.0318	0.6908	1.1956	0.8575	1.1962	0.6529	1.8798	1.1912	0.7174	0.5322	1.2087	1.6211	0.7905	0.6857	1.3394	1.8649	1.1048	0.7177	0.6804	0.9381	0.9285	0.9878	0.5054	1.0805	0.9588	0.5402	1.8878	0.6516	0.7113	0.7650	0.7890
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)	PI 18:0/20:4	1.0264	0.9507	1.2387	0.9097	0.7869	0.9507	0.8900	1.1678	1.0049	1.0771	0.6864	0.9707	0.7483	0.8252	1.4911	1.1196	0.9510	0.8954	0.7824	1.1235	1.0011	1.2800	0.8850	0.8569	0.6494	1.1209	0.7963	1.0740	0.9443	0.7601	1.4410	0.7082	1.0367	1.2967	1.3524	0.8779	1.0204	1.0576	1.0542	1.2897	1.0057	1.2258	0.7680	0.7224	1.1607	1.1210	1.0803	0.7130	1.3181	0.8390	1.7203	1.2377	0.7743	0.9968	1.0057	1.3237	0.9559	1	1.1500	1.5671	0.9169	0.7516	0.8346	1.0401	0.9045	0.9236	0.5073	0.7949	1.0659	1.0223	1.3941	0.9389	0.8386	1.0663	0.8701
1-stearoyl-2-arachidonoyl-GPS (18:0/20:4)	PS 18:0/20:4	0.5617	0.1333	1.3449	0.4787	1.3278	1.4057	0.1333	2.1396	0.1333	0.6872	0.1333	2.3752	1.3627	1.7159	4.0549	2.4849	1.8457	1.2765	0.4996	1.5661	1.0175	1.3185	0.1333	1.5486	1	0.4459	0.3360	0.2103	0.8774	0.6792	2.2230	0.6945	0.1333	0.7265	0.1333	0.6511	0.1333	0.1333	0.4336	0.1333	1.5450	1.7002	2.2767	0.1333	0.1333	0.7347	2.0763	0.6533	2.2165	1.0539	0.6322	2.0357	0.1333	0.1333	0.7451	1.9113	0.7740	0.6235	0.5049	1.6549	0.3343	2.5873	1.3913	1.8737	0.9363	0.9937	0.4847	0.5047	0.6698	0.4856	1.6111	0.7124	1.7990	0.8747	0.1333
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*	PC 18:0/18:2	0.9101	0.7844	1.1452	1.0561	0.8743	1.1446	0.8378	1.0862	1.0908	1.3379	0.8748	0.9759	0.8839	1.0246	1.0521	1.1702	0.8284	0.9513	0.9813	1.1405	1.1610	1.1149	0.7705	0.7600	0.8955	0.7917	0.9170	0.9831	1.0127	1.0939	0.9734	0.9403	0.9301	0.8001	0.8354	1.3928	0.8625	1.1127	0.8341	0.8010	1.2069	0.9551	0.8386	1.3740	0.9552	0.9639	1	1.1070	1.0708	0.8390	1.0630	0.8642	1.0188	0.9991	1.1066	1.0684	1.1041	1.1203	1.0150	1.2676	0.7751	0.9899	1.0366	0.8668	1.3050	1.0458	1.0890	0.7674	1.0026	1.2800	1.0798	1.0335	0.9167	1.0512	0.8737
1-stearoyl-2-linoleoyl-GPE (18:0/18:2)*	PE 18:0/18:2	1.6212	1.8350	2.5344	0.6184	0.7416	0.9316	0.6672	1.0191	1.2639	1.4237	0.5209	1.3018	0.5476	0.8769	1.2545	1	0.9239	1.1009	0.7645	1.6288	0.9882	0.9260	0.5883	0.6314	0.5898	1.4247	0.4794	1.9484	1.0365	0.3340	1.9938	0.4338	1.1401	1.0438	0.7595	1.2675	1.6236	4.2059	0.9322	1.1581	0.7471	1.1604	1.6875	1.5781	1.0407	0.5192	1.5864	1.0097	1.8816	0.5129	1.8501	0.8027	0.7542	0.6225	1.2349	2.3865	0.7147	0.6931	1.4358	1.4640	0.7984	0.4531	0.6407	0.7207	1.6417	1.4063	1.6315	0.8487	0.8012	1.1309	2.0081	0.5741	0.4278	0.5278	0.8501
1-stearoyl-2-linoleoyl-GPI (18:0/18:2)	PI 18:0/18:2	1.3873	1.6145	1.9565	0.9240	0.9598	0.7368	0.8459	1.2688	1.3395	2.1370	0.8947	1	0.4954	1.3789	1.5218	1.3178	0.9038	0.9579	0.9488	1.5499	1.1698	0.9806	0.5883	0.6762	0.6999	1.2912	0.5955	1.3323	1.5039	0.5656	1.5428	1.0816	0.9655	1.2941	1.1142	1.9040	1.5901	1.8666	0.9826	0.9566	1.3185	0.7863	1.9188	1.1078	1.0619	0.9608	1.1034	1.0625	1.2359	0.7663	0.9853	0.9952	0.6440	1.2105	1.1462	1.4594	0.8373	0.8865	1.0470	1.7285	0.7282	0.6401	0.5053	0.9166	1.5066	0.9896	1.5762	0.5948	0.8592	1.3009	1.0637	0.7159	0.7128	0.9883	0.6489
1-stearoyl-2-oleoyl-GPC (18:0/18:1)	PC 18:0/18:1	0.8867	0.6654	1.1543	0.9223	0.9531	1.2057	0.8770	1.0413	1.5190	1.0370	0.8206	1.0525	0.7014	0.8681	1.0233	1.2726	0.6818	1.2775	0.7166	1.2646	1.1559	1.2511	0.8403	0.7199	0.6569	0.8641	1	1.3061	1.2693	0.9779	1.0242	0.7874	0.8661	0.6605	0.9698	1.5562	1.1766	1.1639	0.8719	0.8921	1.0309	0.9727	0.9245	1.2694	1.1331	1.0307	0.9661	0.8892	0.9304	0.7333	1.0753	0.7967	1.0370	0.8703	1.3588	1.3126	1.0471	0.9843	1.0466	1.3676	0.7592	1.0282	1.3230	1.0447	1.5611	0.9780	0.9391	0.8257	1.6156	0.9971	1.4482	0.9474	0.7780	1.0874	1.1646
1-stearoyl-2-oleoyl-GPE (18:0/18:1)	PE 18:0/18:1	1.5783	1.4602	2.2924	0.7102	0.7998	0.8094	0.8778	0.9498	1.1879	1.1281	0.6355	1.3770	0.5738	0.5220	1.7850	1.2384	0.6422	1.2302	0.6791	1.4676	1.3949	1.0417	0.6557	0.6364	0.6402	1.4833	0.6351	1.8266	1	0.3034	1.8394	0.3481	0.8648	0.9439	0.6679	1.5777	2.5750	4.2980	0.8784	1.1461	1.0949	0.9701	1.4906	1.4305	0.7104	0.4102	1.5120	1.1664	1.5204	0.4930	1.5976	0.8506	0.5472	0.5551	1.4753	2.9841	0.7019	0.6548	1.8995	1.6567	1.1642	0.5646	0.7662	0.8124	2.3410	1.4456	1.8899	0.8259	1.1130	1.1453	2.6826	0.7646	0.6003	0.7631	0.9264
1-stearoyl-2-oleoyl-GPI (18:0/18:1)*	PI 18:0/18:1	1.4627	1.5263	2.1292	0.8976	0.9159	0.4730	0.6218	1.6672	1.9824	1.5081	0.7111	0.9371	0.3433	0.8005	2.0151	2.0450	0.5338	1.3089	0.7278	1.8701	1.4720	1.0529	0.6151	0.7242	0.4027	1.3678	0.8856	1.3108	1.7046	0.5822	1.1556	0.5810	0.9244	1.0628	0.9767	3.5195	3.2555	2.1640	1.0656	1.4360	1.6745	0.6362	1.8300	1.1986	1.0098	0.6201	0.9274	0.9381	1.0460	0.4569	0.6823	0.7683	0.6739	0.8577	0.9712	1.8172	0.8906	0.9469	1.4675	1.2943	0.7341	0.6711	1.4728	1.0305	2.3758	1	1.9465	0.6372	1.6639	0.9084	1.4379	0.9497	0.6102	1.4289	0.8142
1-stearoyl-2-oleoyl-GPS (18:0/18:1)	PS 18:0/18:1	0.4734	0.7174	1.2337	0.5457	1.2641	1.1405	1.4464	1.2233	1.1162	0.7244	1.0315	1.9847	1.6933	0.9384	1.6567	1.7728	1.2287	1.2498	0.4217	1.2630	2.0255	1.4089	0.7226	1.4909	1.2845	0.4167	0.6918	0.2492	0.4912	0.7979	1.9379	0.5746	0.4345	1.1442	0.9115	1.0189	0.8511	1.0200	0.6602	0.6661	2.0887	1.1465	1.6977	0.9518	0.6356	0.7257	1.5576	1.2514	1.3051	1	0.5212	1.3792	0.2001	0.1863	1.1462	1.4775	0.7970	0.3516	0.7611	1.7750	0.4189	1.9591	0.9605	1.2952	0.9563	1.2599	0.8616	0.7974	0.5525	0.4938	1.2685	0.7660	1.3850	0.9580	0.7841
1-stearoyl-GPC (18:0)	LPC 18:0/0:0	0.4685	0.5166	0.7248	0.9584	0.8619	1.3097	0.7242	1.2252	1.0227	1.1722	0.9342	0.8348	0.8872	1.0668	1.2256	1.2654	0.7215	0.9334	0.8984	0.9547	1.0858	1.1111	1.0227	0.9428	0.9021	0.4739	0.9782	1.2355	0.7306	0.8229	1.0196	0.7618	1.0828	0.5352	0.7675	1	0.6160	0.5474	0.6543	0.5963	1.2902	0.9981	0.8523	0.9609	1.0794	1.3408	1.0901	1.0860	0.9629	1.0435	1.3047	1.0516	1.1323	1.1863	1.2889	1.1873	1.1516	1.0680	0.7668	1.2972	1.1519	0.7747	1.2363	1.3173	1.2581	1.0703	0.7525	0.7858	1.2481	1.0685	1.0441	1.1106	0.8170	0.8561	0.8961
1-stearoyl-GPE (18:0)	LPE 18:0/0:0	0.7042	0.9115	0.9669	0.7306	1	1.1269	0.6341	1.3693	1.1234	1.1594	0.7807	0.8798	0.7178	1.1194	1.2780	1.1708	0.9639	1.1484	0.7520	1.3275	1.1472	1.0815	0.9225	1.1219	0.8772	0.6919	0.8499	1.4265	0.8344	0.5407	1.2637	0.5766	1.3457	0.7929	1.1937	0.7476	0.9388	1.0952	0.7644	0.7789	1.1463	1.0563	1.5152	0.8491	1.2123	1.6290	1.1200	0.9176	1.0023	0.8980	1.6529	1.2354	0.9875	0.7841	1.1431	1.6082	1.0065	0.8425	0.6617	1.1427	1.0396	0.5958	1.2293	1.0814	1.2643	1.1557	0.7096	0.8762	1.2939	0.8326	1.2760	0.8371	0.7808	0.6915	0.8137
1-stearoyl-GPI (18:0)	LPI 18:0/0:0	1	2.2523	1.0190	0.8465	0.7688	2.0584	1.0654	2.0073	1.7250	1.6687	0.9065	0.7586	0.9966	1.7757	1.4887	0.7058	1.1007	0.9968	0.6448	2.7207	1.0984	1.7590	2.0112	2.6628	0.7262	0.5341	0.9769	0.8907	0.6085	0.8073	1.2152	1.5644	1.0668	1.6852	0.6510	0.9235	1.2951	0.6232	1.0179	1.7296	1.3825	1.3889	2.3838	0.3477	0.8015	1.9937	1.0134	0.7082	1.3509	1.3366	1.5697	0.9149	0.6506	1.2716	1.1653	0.8621	2.0646	0.4837	0.7010	1.2174	1.1081	0.8677	0.5020	0.6665	0.6305	0.9979	0.5960	0.7809	1.5065	0.5279	1.1770	0.6173	0.9174	0.6041	0.7129
1-stearoyl-GPS (18:0)*	LPS 18:0/0:0	0.2898	1	0.4645	0.2898	0.8983	1.6185	0.9940	1.2612	1.4256	0.2898	0.6355	1.0013	1.4278	1.4846	2.9542	2.0304	0.8150	0.8139	0.2898	2.0162	1.2054	1.7318	0.2898	3.0259	0.9735	0.2898	0.5208	0.2898	0.2898	0.2898	1.2481	0.2898	0.2898	0.5854	0.2898	0.2898	0.2898	0.2898	0.3685	0.4980	1.7626	0.7022	2.6475	0.2898	0.2898	0.5462	1.1155	1.3141	1.2863	0.7869	0.2898	0.8176	0.2898	0.2898	1.3056	0.9739	0.7734	0.2898	0.2898	1.3068	0.2898	1.7967	0.4347	0.8125	0.2898	0.2898	0.2898	0.2898	0.2898	0.2898	0.6725	0.2898	1.3541	0.2898	0.4581
21-hydroxypregnenolone disulfate	21-Hydroxypregnenolone	0.9955	0.7225	1.0291	0.6146	0.7843	1.4709	1.1977	0.7725	0.9833	0.4552	0.4330	0.2785	1.9465	1.8421	0.6165	0.6556	1.4938	0.6569	0.8805	1.3116	1.5571	0.9378	0.7238	1.4429	0.5851	1.0568	0.8172	0.8613	1.1944	0.8982	1.1551	0.9801	1.4369	0.6476	0.8765	0.6018	0.5710	0.4540	1.6169	0.9239	1.0604	1.3603	1	1.6393	1.3972	2.8259	2.1834	1.9320	1.4725	1.5159	0.6398	1.3817	0.7143	1.2592	0.8548	0.5029	0.7180	0.6439	1.4768	2.1388	0.7515	0.8673	2.1926	0.8199	1.7044	1.2941	1.1435	1.1639	0.9399	1.6656	0.3504	1.2395	1.9421	1.6636	1.0948
21-hydroxypregnenolone monosulfate (1)		0.2550	0.2550	0.2550	0.2550	1.1974	0.6088	0.9577	0.5053	0.8241	0.2550	0.2550	0.2550	2.7548	1.0439	0.2550	0.4420	1.9086	0.4933	0.9620	1.6038	2.1286	0.5443	0.4667	0.2550	0.2550	1.3641	0.8904	0.5316	1.3327	1.0811	1.8784	0.4491	1.4158	0.2550	0.2550	0.2550	0.2550	0.2550	0.8165	0.6515	0.6315	0.5834	0.2550	1.8348	2.3211	2.5413	2.4725	1.4725	2.2279	1.0350	0.4346	1.5684	0.2550	0.9267	0.2550	0.4680	0.5351	1.2407	0.8924	1.1528	0.7471	0.7916	4.4776	0.2550	1.5833	0.8225	1.9039	1.2004	0.8890	2.7180	0.2550	0.7664	3.1052	0.9650	1.6063
2_3-dihydroxyisovalerate	2,3-Dihydroxyisovaleric acid	0.3492	0.6777	1.0250	0.3492	0.5209	2.5655	2.2668	0.4427	1.0157	1.1222	1.0322	1.6513	0.7018	1.5313	0.6613	0.3492	0.4167	1.1322	0.4216	0.8114	0.7701	0.3492	0.5690	0.3492	0.8207	0.3492	0.3492	1.3200	1.5979	0.7658	0.4562	0.3492	0.8220	0.4063	1.1107	2.9501	20.0948	2.2647	0.4786	7.8398	0.7811	2.6962	0.3492	0.3931	0.9632	0.5310	0.7926	1.7292	0.9370	1.0369	0.9843	0.6406	2.4631	1.1730	1.5431	1.0869	0.4820	1.2849	0.8949	1.4490	0.7155	0.4562	2.0130	0.7233	4.4956	1.5591	3.7835	5.1503	2.3065	0.6337	0.3492	0.6724	1.1990	3.2564	0.7321
2-acetamidophenol sulfate	2-Acetamidophenol sulfate	0.3161	0.3161	0.3161	0.3161	0.3161	0.3161	3.8213	0.3161	0.6365	0.3161	0.3161	0.3161	0.3161	1.3656	0.3161	8.6627	0.3161	0.3161	0.3161	0.3419	1.5182	0.3161	0.3161	0.3161	0.3161	0.3161	0.3161	0.3161	0.3161	0.3161	2.2495	0.3161	0.3161	0.3161	0.3161	0.3161	0.3161	0.3161	0.3161	0.3161	0.3161	1.2115	0.3161	0.3161	0.3161	0.3161	0.3161	0.5836	0.3161	7.2743	0.3161	0.6214	0.3161	0.3161	0.3161	0.3161	0.3161	0.3161	0.3161	0.3161	0.3631	0.6273	1.7237	0.7551	0.3161	0.3161	0.3161	0.7885	0.3161	2.4040	0.3161	0.6277	2.9825	0.3161	0.3161
2-aminobutyrate	2-Aminobutyric acid	1.0254	0.6639	0.6112	1.3776	1.1166	0.8757	0.7446	1.1290	1.0007	0.5512	0.8660	0.5151	1.0818	0.8925	0.6325	1.2204	0.8535	1.1114	0.9939	0.7963	0.6132	1.8316	0.9743	0.7422	1.1477	0.7952	1.2843	0.8402	0.8727	1.5718	1.2036	0.9679	1.7096	1.5471	1.9170	0.7324	0.8021	0.7935	1.1821	2.1693	0.8300	1.3360	0.6439	0.8537	1.2735	0.6966	1.1584	1.1053	0.9897	1.0130	1.1983	1.0191	1.4020	1.2122	0.7314	1.0384	0.8901	0.9394	0.8749	1.4335	0.8947	0.9698	0.9113	1.0662	1	0.6720	0.9220	2.0060	1.3738	0.8379	1.4273	1.2869	1.1688	1.2614	1.1654
2-aminoheptanoate	2-Aminoheptanoic acid	0.8772	1.2797	1.1233	0.9299	0.7191	0.9607	1.1378	1.2721	0.4686	1.3172	1.7039	0.9926	1.4019	1.2710	1.6605	1.4015	1.2039	0.6419	0.8885	0.6307	0.8882	0.9967	0.7769	0.4603	0.8996	0.4537	0.7225	0.7909	0.4960	0.9067	1.3765	0.6515	1.4361	0.4612	1.0986	1.0425	0.8917	0.9678	1	0.5874	0.7200	1.1594	0.6194	2.0609	1.1653	1.1450	1.1622	2.2009	1.5603	1.4555	1.1742	1.4397	0.9528	1.0765	2.0150	1.4589	0.9215	0.9425	1.5536	1.1485	1.1076	0.7913	0.7307	1.4869	37.5814	1.6145	0.5722	1.2134	0.5317	2.7555	0.9817	0.8782	2.2238	0.6168	0.8944
2-aminooctanoate	2-Aminocaprylic acid	1.2232	0.3340	0.9157	0.6002	0.4884	0.5766	0.6216	1.7306	1.6822	5.5925	1.7589	0.2803	1.1906	1.9826	1	1.4115	0.7968	1.1357	0.2498	0.4412	0.8816	0.9517	0.8858	0.3343	1.2414	0.2848	0.3249	0.9213	0.7156	3.4442	0.5167	0.7707	0.5497	0.5765	0.7366	0.7834	0.7219	1.0834	0.5681	2.5859	0.5310	1.6860	0.6025	1.5851	1.6845	0.8823	1.2106	2.3258	1.2072	0.7069	1.0466	1.1149	1.5353	2.2736	1.3997	1.8116	1.2552	1.8564	0.8040	0.5981	0.8021	1.2207	2.2694	1.4929	9.5713	1.6030	1.2337	0.9835	1.0588	1.6573	0.5875	0.7485	1.5961	1.4567	0.9506
2-aminophenol sulfate	2-Aminophenyl sulfate	1	0.6801	1.1909	0.7045	0.8892	0.6709	11.2790	1.2366	2.4342	0.1172	0.4119	0.3961	0.1497	3.3519	0.5455	11.8247	1.3857	0.1383	1.0242	0.6744	3.1066	0.0755	1.7112	0.3111	0.6875	0.1659	0.6524	2.0963	1.3918	1.0557	8.8569	0.5538	1.8442	0.4350	0.3250	0.8354	2.1356	3.1390	0.5339	0.0126	0.0733	4.0753	1.7402	1.4446	2.9084	1.3763	0.6039	1.5073	3.3184	10.4840	1.1078	2.9784	0.8349	0.5035	0.4330	0.8485	0.2182	0.1775	0.5406	0.6850	1.6020	2.1342	3.4288	2.5390	0.3291	2.6997	0.1627	2.3370	0.4709	4.4629	0.4049	3.1794	8.2977	1.5747	0.1529
2-arachidonoylglycerol (20:4)	MG 20:4	1.0563	0.6740	0.3063	0.3063	1.0199	1	1.0482	0.3063	1.0202	0.9349	0.3063	0.3063	0.8509	0.4380	0.3063	1.3244	1.2617	0.7532	0.9070	0.7782	0.3063	1.3635	0.3063	0.9247	0.3063	0.3063	0.9252	0.5846	0.3063	0.3063	1.9731	0.3063	1.6744	1.1785	1.3172	0.3063	0.3063	0.7230	0.3063	0.6088	1.3465	0.3063	0.3063	0.3063	0.9287	0.3063	1.5294	0.3063	1.5116	0.3063	1.8602	1.5135	0.5509	1.1064	0.7275	0.3063	0.3063	0.7516	0.3063	0.7864	0.3063	0.3063	0.3063	0.3063	1.2784	1.0262	0.3063	0.3063	0.3063	0.3063	0.7436	0.3063	0.9012	0.3063	1.0147
2^-deoxyuridine	Deoxyuridine	1.0686	0.9975	0.5828	1.3265	1.3908	1.1240	1.2133	0.8391	1.7574	1.1501	1.4629	0.5424	0.9689	0.6449	0.8296	0.5918	0.7255	0.9630	1.2105	0.7652	0.5755	1.3039	0.5836	0.4807	0.4807	0.8304	1.1605	1.0479	0.7954	0.8982	0.8205	0.5806	1.1981	1.0512	0.7014	0.7852	1.1038	0.8590	0.7180	0.9629	0.4807	1.1005	0.7455	0.8681	1.4128	1.8369	1.0916	1.3754	1.5400	1.1076	1.0951	1.0025	1.3920	1.0960	0.7864	1.2675	0.6206	0.6360	1.2134	0.8520	1.0725	1.3920	0.9678	0.9519	0.4807	0.8373	0.7294	1.1091	1.4066	0.9049	1.2963	0.9865	1.0886	1.0631	1.4278
2-hydroxy-3-methylvalerate	2-Hydroxy-3-methyl-pentanoic acid	0.5040	0.5927	0.5837	0.4326	1.4673	1.3596	0.7385	1.2445	0.8918	0.7578	0.3683	0.5325	1.6024	0.5246	1.0742	1.1105	0.5111	1.0580	0.4672	1.8697	0.5788	0.9207	0.4969	0.5297	0.9169	0.5845	0.7559	1.1373	1.7449	0.7915	0.9048	0.4220	1.0543	1.4699	2.2460	0.9227	0.9153	1.0527	1.2529	1.8944	0.7767	0.7712	0.5497	0.6999	1.3519	1.2569	1.0134	1.5340	0.7984	0.8535	1.5081	1.5450	1.4638	1.4948	0.6928	0.9590	0.8379	0.6915	0.8888	2.8037	1.5847	1.1518	1.2211	0.8421	1.6157	1.2331	2.6404	1.1046	2.0271	1	2.5234	1.4424	0.9674	1.4770	1.4037
2-hydroxyacetaminophen sulfate*	2-Hydroxyacetaminophen sulfate	0.1621	0.1621	0.7620	0.1621	0.1621	0.1621	0.1621	0.1621	0.1621	0.1621	3.9679	0.1621	0.1621	0.7902	0.1621	0.1621	0.2519	0.1621	0.4470	1.1217	0.1621	0.1621	2.1949	0.1621	0.1621	0.1621	0.1621	0.2597	0.1621	0.1621	0.1621	0.1621	0.1621	0.1621	0.1621	0.1621	0.1621	0.1621	0.1621	0.1621	0.1621	0.1621	0.8783	0.1621	0.1621	0.1621	1.9084	0.1621	0.1621	0.1621	0.1621	0.1621	0.1621	0.1621	0.1621	1.1727	0.1621	0.1621	0.1621	0.1621	0.1621	0.1621	3.3257	0.1621	0.1621	0.1621	0.1621	0.1621	5.0089	0.1621	0.1621	0.1621	0.1621	0.1621	0.1621
2-hydroxybutyrate/2-hydroxyisobutyrate	2-Hydroxybutyric acid/2-Hydroxyisobutyric acid	0.9841	0.6880	0.6308	1.0657	1.1986	1.0336	0.9499	1.1889	0.8416	0.5969	0.4660	0.4741	1.1708	0.7561	0.5677	1.1568	0.6739	1.2504	0.9890	0.9144	0.6235	1.6728	1.3051	1.0035	1.2182	0.9949	0.7728	0.9922	0.7712	1.0310	1.5815	0.8472	1.2363	2.6185	1.9915	0.7613	0.9146	0.6731	1.0523	1.8837	0.9517	1.1333	0.5446	0.8197	1	0.6172	1.2682	1.0080	1.0689	0.6418	1.2111	0.9713	0.6800	1.3016	0.7988	1.2468	1.1600	0.8134	0.8609	1.7281	0.6438	1.2378	1.0454	1.1965	0.6351	0.7782	1.0920	1.4671	1.3061	0.6154	2.2707	0.9605	1.0962	1.7909	1.5373
2-hydroxydecanoate	2-Hydroxycapric acid	0.6883	1.6342	1.4750	1.3792	0.9156	0.8290	0.6502	1.1646	1.2002	1.3292	1.7450	0.8305	1.0507	2.1610	1.2962	1.8887	0.8762	1.1805	0.6211	1.3865	1.5310	0.9488	1.4978	0.6534	0.7678	0.5445	0.5982	0.6672	1	0.8318	0.8573	0.8993	0.9770	0.8614	1.0473	3.4148	1.3084	0.9282	0.8399	0.8631	0.3925	0.9260	1.1052	1.9129	1.7544	0.7531	2.0500	1.1186	1.2199	1.4121	0.8793	0.7307	0.8163	0.8455	1.3368	1.1637	0.5517	0.8621	1	0.7749	0.5246	0.7584	2.0648	1.1133	29.9560	1.4836	2.8769	0.9267	1.5423	0.8757	2.2381	0.9151	1.2951	1.2803	1.5530
2-hydroxyglutarate	2-Hydroxyglutaric acid	0.2673	0.5072	0.7386	1.7403	0.9239	1.0194	1.1455	1.2563	1.0396	1.0420	2.5100	1.1342	1.0406	0.7549	1.8505	1.7790	1.1362	0.9490	0.4938	1.0809	1.0795	0.9930	1.2770	0.8134	0.8539	0.8283	0.9304	1.0792	0.7927	0.6572	1.6339	0.9433	1.4332	0.6085	2.4085	1.1222	1.0982	1.2626	1.0706	1.1113	1.0005	1.0091	1.0110	0.8706	0.2884	0.9069	0.9130	0.8100	0.6988	1.0597	0.9125	1.1705	0.8154	1.0810	1.4532	1.1734	0.8893	0.5552	0.4253	0.9704	1.5790	0.8647	0.6719	0.9197	1.5828	0.7350	1.2362	0.8952	1	0.5188	0.9586	1.0035	0.9002	0.6059	1.1453
2-hydroxyhippurate (salicylurate)	Salicyluric acid	1.8577	0.2005	0.6785	0.2005	1.8221	1.0014	1.6349	0.3470	0.4822	0.6647	1.4740	0.5732	0.2588	1.9254	4.5328	1.0242	1.5602	2.6066	0.2864	0.7894	1.4362	0.6438	0.3234	0.2005	0.2472	0.2005	1.1205	1.8406	0.2005	0.4164	0.7937	0.2005	0.2005	0.4657	0.9986	1.7155	1.1463	0.7808	0.6014	1.4309	0.2005	0.8866	0.9823	1.0138	0.9444	5.5500	2.4453	0.3206	0.2005	1.3488	0.2005	4.6537	5.5528	1.8274	1.5430	0.7761	0.2005	6.0315	1.1120	0.2022	0.2005	0.2565	1.4620	2.0691	0.6584	1.1042	4.3458	1.0076	0.2005	0.8281	0.4517	0.9476	0.5179	0.2005	0.8160
2-hydroxyibuprofen	2-Hydroxyibuprofen	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
2-hydroxylaurate	2-Hydroxylauric acid	0.9248	1.1668	0.9148	1.2085	0.7321	0.6581	0.9549	0.8706	0.6227	1.1026	0.9391	0.5750	0.9491	0.7742	0.8197	1.5238	1.2720	0.9871	1.2390	0.9810	1.4668	0.8428	1.5326	0.7078	0.8198	1.4396	0.7939	0.9828	1.1449	1	0.9708	1.2484	1.0018	0.9711	0.8461	1.2621	1.1117	0.8991	1.1036	1.4230	1.2046	0.8192	1.2503	1.6068	1.4628	0.9315	1.7195	1.1804	1.1631	0.9802	0.9491	0.8603	1.5494	1.5870	1.0240	0.8703	0.9203	1.0369	0.8025	1.0209	0.9428	1.3585	1.5061	1.1981	8.8319	1.1470	0.8183	0.8699	0.9848	1.1180	0.6346	1.5812	1.3361	0.9043	1.0744
2-hydroxyoctanoate	2-Hydroxyoctanoic acid	0.7136	0.3318	1.2442	0.4603	0.4783	0.9266	0.4673	0.9953	1.2717	19.4582	1.6117	0.3932	1.0786	1.1360	1.0894	1.4360	0.5118	4.8856	0.4420	1.3733	2.0821	1.6847	0.6521	0.3420	0.8278	0.3128	0.5319	0.8302	0.9881	3.8323	0.5564	0.7850	0.3452	0.4803	0.8645	1.3630	1.0071	1.3328	0.9285	3.1535	0.4995	1.1996	0.5562	1.5781	1.4286	1	1.1061	2.1620	0.8917	0.8874	0.7901	0.6021	1.4936	1.8724	1.2673	1.5591	0.7807	1.0344	1.3412	1.1431	0.7066	0.8293	1.6228	1.1169	17.5213	1.1301	2.1409	0.4556	0.8886	1.6847	0.7574	0.6232	1.0706	1.1394	0.9475
2-hydroxypalmitate	2-Hydroxypalmitic acid	0.8975	0.8152	0.9638	1.0966	1.2255	0.8147	1.1277	0.9539	1.0223	1.1088	0.9879	0.8947	1.0052	0.9948	1.0577	1.5365	1.0753	1.2108	0.9180	1.0456	1.2151	1.2523	0.8975	0.8108	0.9961	1.0240	0.7581	0.8839	0.7011	1.2352	1.1446	0.7820	1.0084	1.0538	1.5978	1	0.7010	0.6120	1.0394	1.0806	0.7955	0.7517	1.0671	0.8608	1.1100	1.3490	1.1877	0.8462	1.3627	1.1477	1.1238	1.2391	1.0747	1.2525	1.0984	1.0581	0.6927	0.8786	0.9657	1.0826	0.7645	0.8724	1.0250	0.8207	0.9821	0.8911	0.6577	1.0485	0.5195	0.6639	0.8965	0.7719	0.9014	1.0098	0.8329
2-hydroxyphenylacetate	2-Hydroxyphenylacetic acid	0.6076	1.0740	1.6000	0.1468	2.2768	0.6941	0.9249	0.3318	0.7207	1	0.6086	0.7164	1.3233	0.7799	0.6880	0.8039	0.5807	1.0953	0.6070	0.9456	0.8828	0.5524	1.2503	0.9860	0.8451	0.4446	0.8019	0.7447	1.5076	0.9030	0.4320	0.8267	0.2545	0.7326	0.4568	1.0779	1.5747	1.4031	0.6061	0.6760	1.4137	0.9526	1.2167	1.2994	1.6403	1.4791	1.6740	2.4585	1.1326	1.8044	0.7796	1.8521	0.7095	1.5037	0.6808	1.6254	1.5888	1.3700	1.1018	1.0797	0.5612	1.4809	1.1658	0.7744	2.1779	2.3265	2.9290	0.7336	1.1170	1.5415	1.0111	0.8933	1.1616	1.3417	1.4693
2-hydroxystearate	2-Hydroxystearic acid	0.7092	0.8880	0.7771	1.0246	1.0657	1.0505	1.0115	1.0952	0.9225	1.1593	0.9849	0.8437	0.9968	1.1891	1.1303	1.2070	1.0998	1.1359	1.1109	1.2358	1.0716	1.4532	1.0889	1.2173	0.8780	0.8640	0.9158	1.0528	0.8033	1.0524	1.1651	0.9198	0.8546	0.8481	0.9012	0.9734	0.6725	0.5669	0.8045	0.8001	1.1298	0.9013	0.9652	0.8373	1.1208	1.3854	1.1255	1.1396	1.3947	1.0830	1.0159	1.0075	0.8042	1.2297	1.0328	1.0054	0.9183	1	0.9722	1.3774	0.8069	0.8861	1.0628	0.9425	1.1501	0.9599	0.7094	1.0440	0.9062	0.7491	1.1158	0.9331	0.8096	0.9930	0.8644
2-keto-3-deoxy-gluconate	2-Dehydro-3-deoxy-D-gluconic acid	0.2560	2.1483	1.6918	1.5740	0.5226	1.7373	2.3052	1.3604	1.4719	1.5540	0.7768	0.4980	0.3325	0.3189	0.9402	0.2048	0.2777	0.9713	0.5905	1.8271	1.7781	3.1005	1.3882	1.2120	0.4353	0.3361	1.1775	1.5308	0.2585	2.8809	1.0792	0.8699	3.1529	1.2898	0.2486	2.1851	4.1366	0.3496	1.4525	1.9227	2.5779	1.2348	2.5688	0.9124	0.1841	0.5447	2.8702	0.6983	0.6737	1	1.7528	1.2690	0.2655	0.4110	0.1640	0.7105	0.2127	0.2036	0.2512	0.2353	0.4743	2.8923	1.1321	1.5174	0.7054	2.6969	1.2526	0.7917	2.2746	0.1700	0.7800	0.2003	0.9041	1.9216	1.9298
2-linoleoylglycerol (18:2)	MG 18:2	0.1907	0.1907	0.8090	0.8551	0.1907	1.1265	1.1475	2.6592	0.7060	0.6773	0.6536	0.1907	1.5276	7.4155	0.1907	0.1907	0.3827	0.6914	0.1907	0.1907	0.1907	0.1907	3.0668	2.5986	1.7536	1.0962	0.9563	0.1907	4.0032	0.1907	2.5640	0.1907	0.9351	0.1907	0.1907	0.3827	1.2300	0.8429	0.6012	0.6886	0.6644	2.8446	1.1561	0.1907	0.1907	0.1907	1.2880	0.6375	0.1907	0.1907	1.2252	1.0210	1.6535	0.1907	0.1907	0.4448	1.5195	1.0548	0.1907	0.9265	1.1036	0.1907	0.8944	0.1907	0.9790	1.3392	0.7661	0.1907	2.1590	0.1907	0.6556	0.3702	0.1907	0.1907	0.1907
2-methoxyacetaminophen glucuronide*	2-Methoxyacetaminophen glucuronide	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	1.6166	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834	0.3834
2-methoxyacetaminophen sulfate*	2-Methoxyacetaminophen sulfate	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	1.7038	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728	1	0.5728	0.5728	0.5728	0.5728	0.5728	0.5728
2-methylbutyrylcarnitine (C5)	CAR 4:0;2Me	0.4842	0.8124	0.5537	0.4149	0.8338	1.1408	0.9088	0.9181	1.2000	0.9677	0.8261	0.6510	1	0.5846	0.6207	0.9229	0.9369	1.0069	0.5792	0.9699	0.7383	1.1615	0.5012	0.7331	0.9612	0.7329	0.9977	0.6594	0.8366	2.2913	0.9013	0.7885	0.8025	0.9226	0.6129	1.0190	0.7265	0.6538	1.3608	0.9476	0.7037	0.6947	0.6943	1.4418	1.1185	1.1614	1.7895	2.6898	1.5942	1.2387	1.4501	1.0814	1.5494	1.7257	1.6907	1.6295	1.2954	1.3228	1.5889	1.5360	0.9234	2.1213	1.3297	1.1073	1.3207	1.0463	1.5214	0.9918	1.4831	1.5472	1.4114	1.4840	1.7490	2.0684	4.4698
2-methylbutyrylglycine	2-Methylbutyrylglycine	0.3381	0.6020	0.2311	0.7731	0.8746	0.2311	0.8577	0.7450	1.2008	1.5545	2.1877	1.0175	0.2311	4.9308	1.1067	0.9994	0.9372	1.0678	0.3862	0.9493	1.0799	0.7696	0.7692	0.9165	0.9194	0.2311	1.1020	1.0470	0.5493	1.2021	1.0637	0.7526	0.3461	0.8153	0.2311	0.2311	0.7195	0.4966	1.3152	3.4346	0.7079	0.2311	0.6891	1.3455	0.2311	0.9597	1.1792	0.8282	0.9067	1.8845	0.9856	1.0199	2.6123	1.7616	1.3335	0.5192	1.1294	1.0075	0.8134	1.0310	0.2311	0.5256	2.3823	1.0285	0.9276	1.8921	0.5423	0.2311	0.9851	1.0128	1.2561	1.2034	1.0006	1.0809	1.1358
2-methylcitrate/homocitrate	Homocitric acid	0.0892	0.1350	0.0892	0.0892	0.0892	1.8366	1.4455	0.0892	0.0892	0.0892	0.0892	0.0892	0.0892	0.0892	0.3539	0.0892	0.2172	0.2343	0.0892	0.9858	0.0892	0.0892	0.2299	0.0892	1.0312	0.1412	0.0892	0.3739	0.1246	2.8903	0.4775	0.0892	0.0892	0.0892	0.7228	0.0892	0.0892	1.8621	1.4063	0.0892	0.0892	0.0892	0.0892	0.0892	0.0892	0.1237	2.7095	0.0892	0.0892	0.0892	1.6989	0.2154	0.0892	1.2793	1.0142	0.0892	0.1580	0.0892	0.0892	0.7882	0.0892	1.0359	0.0892	0.0892	0.0892	0.0892	1.4466	0.0892	1.6292	1.1506	0.7476	0.0892	1.9367	1.6233	1.6964
2-methylmalonylcarnitine (C4-DC)	CAR DC3:0;2Me	0.8689	0.9924	0.8962	0.7163	0.8102	1.4883	1.0144	0.9583	1.6457	1.4139	1.1278	0.8921	0.9900	0.5120	0.9981	0.9433	0.9086	0.9373	0.7618	1.4185	1.3060	0.7441	0.9558	0.9614	1.0236	0.7424	0.4810	1.0347	0.6784	1.1777	1.6369	0.6325	0.4756	0.5948	1.2015	1.0737	0.8927	1.1324	1.5589	0.7544	0.6828	1.0019	0.6774	0.8395	1.2797	3.0676	1.2769	0.9224	1.5078	1.3355	1.5877	1.5013	3.8985	1.3151	1.5581	1.6846	0.6793	1.7098	1.0568	1.8141	0.9287	1.7489	0.7287	1.0541	0.4756	1.1347	1.4572	0.7473	0.7998	1.9168	1.0139	0.9233	1.1458	0.9465	0.6395
2-oleoylglycerol (18:1)	MG 0:0/18:1(9Z)/0:0	1.2621	1.7828	1.2305	0.9347	0.6603	0.0781	0.9645	1.3288	1.3232	0.7915	1.4484	1.2836	1.3775	0.0781	0.8576	0.0781	0.5045	1.1422	0.5290	1.5150	1.3877	0.9206	0.0781	0.0781	0.0781	1.0633	0.0781	0.5433	0.0781	0.5526	1.4600	1.2387	1	1.3134	0.9826	0.7975	0.5991	0.0781	0.7792	0.7319	0.0781	1.8318	2.5856	0.0781	0.0781	0.8006	1.5250	0.0781	1.5099	1.0682	1.0913	0.0781	0.7716	0.7296	0.9778	0.8061	1.1422	0.9695	0.0781	0.9863	0.0781	0.8354	1.4176	0.8430	1.5030	1.3881	1.2124	0.5570	1.7697	0.0781	7.4119	0.0781	0.7579	0.5286	0.0781
2^-O-methylcytidine	2'-O-Methylcytidine	0.7702	0.9855	1.2212	0.8294	0.9838	0.8537	0.8686	0.9466	1.1630	1.1824	1.5434	0.6336	0.8864	0.6327	1.2686	0.9849	0.7752	0.9163	1.2636	1.0278	1.0477	0.9028	0.7711	1.5963	0.9948	1.0045	1.4905	1.0077	0.8437	0.9999	0.7044	0.6945	0.9025	1.0120	1.1828	1.2184	0.9726	1	1.3011	0.9643	1.2831	1.3811	0.9377	0.8114	1.1935	1.0932	1.0265	1.1742	1.6669	1.0090	1.0595	1.0621	1.3280	1.1326	1.1625	0.9665	0.8027	0.9975	0.9118	0.9775	0.7283	0.7114	1.2313	1.1002	1.4338	1.0356	1.0763	0.8129	1.0032	0.9012	0.7643	1.1108	0.6267	0.9533	1.1025
2-oxindole-3-acetate	2-Oxindole-3-acetate	0.4525	2.0573	2.8380	1.2170	1.2761	1.3325	0.2803	0.4224	2.2459	18.1683	0.9426	0.3566	0.7496	6.1065	1.8556	0.4862	0.4142	2.7482	1.0019	0.5980	1.4694	0.5091	1.5807	0.4990	0.4229	0.6923	0.5197	0.5420	2.6972	0.7077	0.5345	0.5327	0.6876	1.0032	1.2701	3.8879	3.0973	2.1673	0.3181	0.5091	8.4889	0.6143	0.4813	8.5091	0.9486	1.4617	1.1948	1.6775	0.7650	1.4646	1.3873	0.9638	1.9708	1.0404	0.7353	0.6866	0.9750	0.4561	0.6264	0.9365	0.4065	0.6152	0.9466	2.6385	2.0034	1	1.6114	1.7421	1.6889	0.6835	1.5248	1.5037	0.6218	1.2412	1.8756
2-oxoarginine*	2-Oxoarginine	1	0.4398	1.6140	0.6433	0.4301	1.3472	0.9608	0.8238	1.4946	1.0205	0.7547	1.0736	0.6293	0.4067	0.4224	0.8382	0.2573	0.6298	0.7344	0.6160	0.5461	0.6472	0.3834	0.5062	0.5763	2.2127	1.5315	4.2834	1.3488	1.2089	0.5518	0.2764	0.5828	0.4680	0.8551	2.4800	1.0379	1.4954	1.6358	1.2622	1.3488	0.4674	0.3151	1.5514	0.8143	0.6044	1.6130	1.4229	1.3286	1.0154	0.6178	0.6535	1.5697	0.7034	1.2627	2.8405	1.4849	0.9775	2.8208	0.8477	0.7398	1.4157	1.5237	1.5365	11.9546	1.0575	3.9475	0.7212	0.9432	2.0378	1.8585	1.2717	0.8982	1.7563	2.3084
2-palmitoleoyl-GPC (16:1)*	LPC 0:0/16:1	0.8543	0.7170	1.4032	0.8915	1.5757	1	0.6956	1.4308	1.3384	1.1235	0.6687	1.6888	1.3947	0.9197	0.7915	0.6741	0.7441	1.2109	0.5601	1.0624	1.1686	0.7076	1.3495	1.2336	0.7212	0.3054	0.6710	1.1705	0.8658	0.8859	1.1971	1.0400	1.0627	0.5236	1.1244	0.4420	0.7028	0.7701	0.7075	0.5593	0.6631	1.0150	2.8687	1.0220	1.6942	1.3290	1.3937	0.5326	1.4318	0.9837	1.2167	1.3024	1.1471	0.8613	1.2986	1.7309	1.0072	0.7561	0.5965	1.3780	0.7988	0.6120	0.8769	2.1710	1.5162	0.6522	0.7728	1.1178	1.1565	0.9001	1.1057	0.8250	0.8594	0.6478	1.0248
2-palmitoyl-GPC (16:0)*	LPC 0:0/16:0	0.6001	0.6320	1	0.8253	0.7838	1.4132	0.6594	1.2594	1.0920	1.1761	0.6324	0.8198	0.9054	0.9960	0.9374	1.2742	0.8647	1.3671	0.7377	1.1079	1.0118	1.0061	1.2391	0.9713	0.8503	0.4884	0.9569	1.6120	0.8258	0.7121	1.4001	0.6537	1.5154	0.5784	1.2212	0.8732	0.8654	0.8219	0.8477	0.8719	1.2145	0.8856	1.2115	0.6199	1.3281	1.8851	1.3207	0.8858	1.1802	1.0097	1.6718	1.4425	1.2206	1.2235	1.2499	1.6011	1.1743	0.9817	0.5805	1.4274	1.2943	0.6185	1.1655	1.9032	1.0807	1.2011	0.7063	1.1162	1.5417	0.9042	0.9893	1.1160	0.7595	0.8308	0.8506
2-piperidinone	2-Piperidinone	1.3006	0.3799	0.9148	6.1103	0.6605	0.4726	0.5659	1.0085	0.9047	0.3775	1.1608	1.0440	4.3031	0.4345	0.6362	1.5104	0.4889	1.6941	0.4556	0.5172	0.4969	1.1019	1.7763	0.6088	3.0139	0.4977	2.7224	0.5694	0.5794	2.0476	0.7036	0.4448	1.7535	0.4840	2.3973	0.5342	0.6541	0.3295	1.5390	0.4472	0.8823	0.9103	0.9738	0.6037	1.6731	1.1256	0.4778	2.2640	0.8756	0.3802	0.9757	1.3894	0.6670	1.2835	4.4914	1.0664	0.3176	1.0831	1.7465	1.2348	0.9170	2.0488	5.1591	3.6766	0.2496	1.9694	0.8251	5.6399	1.4639	3.7143	3.3284	3.2734	1	1.9177	2.6407
2-stearoyl-GPE (18:0)*	LPE 0:0/18:0	0.4356	1.2848	0.8425	0.6652	0.9684	1.3773	0.6535	2.3745	1	1.2733	0.5636	0.7230	0.8029	1.9101	1.0453	1.1992	1.0164	1.3537	0.6737	1.3957	1.4014	1.0035	1.0277	1.8182	0.6900	0.4546	0.7391	1.4326	1.0980	0.4641	0.9381	0.8603	1.1465	0.9376	1.0475	0.8118	0.7500	0.9406	0.4102	0.8470	1.2113	1.4226	1.6471	0.9081	0.9814	1.9325	1.0014	0.9162	1.1429	0.8322	1.8976	1.2075	0.9673	0.9536	1.2055	1.0912	1.6328	0.9759	0.4602	1.2632	1.2739	0.7427	1.4882	0.9249	1.6990	1.3132	0.6932	0.8970	2.1390	0.8530	1.2471	0.9481	1.0999	0.7221	0.7698
3-(3-hydroxyphenyl)propionate	3-(3-Hydroxyphenyl)propanoic acid	1.1097	0.1392	2.2724	1.2105	0.3722	2.8684	1.0879	1.0610	0.6766	1.4513	0.4781	0.9081	1.8307	1.0148	0.6507	0.7557	0.1392	0.7737	0.9454	1.6869	0.4239	0.3033	1.0807	0.1392	0.5696	0.4407	0.1392	1.6704	0.1392	1.6673	0.6824	1.6655	1.3390	0.9229	2.2952	1.4100	0.9563	0.8968	0.5938	0.1392	0.1392	1.9619	2.5359	1.1092	2.3691	0.4684	0.8808	0.6981	0.9852	0.7846	0.4950	0.3376	0.7216	1.0902	3.0920	0.8014	0.1392	0.1392	1.0932	0.1392	0.2231	0.6145	1.4729	0.3860	22.0874	3.0547	1.5065	2.2332	0.3934	2.1855	3.7252	2.6300	0.6141	1.1463	0.4298
3-(3-hydroxyphenyl)propionate sulfate	3-(3-Sulfooxyphenyl)propanoic acid	0.2312	0.1835	0.9780	0.9847	0.4481	5.0330	1.5188	1.7328	0.4842	2.1048	0.5032	0.6054	0.1835	0.6786	0.7257	1.1321	0.1835	2.5288	0.8375	1.7900	1.6099	0.6708	1.0153	0.2407	0.1835	0.1835	0.7354	2.1536	0.1835	1.6280	0.2461	3.7510	0.7044	0.1835	2.1767	0.8580	0.3699	0.5915	0.5623	0.1835	0.1835	3.1293	1.0675	0.8517	1.8217	0.3413	0.7460	0.8759	0.1835	1.4814	0.6977	0.1835	1.0533	1.0666	4.0617	0.9423	0.1835	0.1835	1.4223	0.1835	0.1835	0.5418	1.3613	0.6451	18.6088	2.5931	5.4765	2.7660	1.4184	1.8923	3.8502	2.5158	0.2806	0.8377	0.1835
3-(4-hydroxyphenyl)lactate	Hydroxyphenyllactic acid	0.5179	0.5489	0.7274	0.5754	0.5821	0.6036	1.0415	0.8085	1.0778	0.9847	0.8946	0.7039	0.7078	0.5889	0.5229	1.7890	0.5257	1.0883	0.7803	1.3305	1.0821	1.1140	1.0169	0.7785	0.4951	0.7105	0.7311	1.1021	0.8206	1	1.1835	0.5702	0.6765	0.4837	1.2351	0.8120	0.5389	0.8115	1.4792	1.2543	1.2294	1.1796	0.5799	0.7373	1.2595	0.8729	1.1861	1.9158	1.1179	0.9881	0.9280	1.3510	1.0879	0.9728	1.3766	1.2238	1.1077	0.9543	1.3419	1.8612	1.1655	1.0693	1.2109	1.3040	0.8993	1.2011	2.0531	0.9995	1.3574	1.4304	1.2521	0.7085	1	0.8562	1.9807
3_4-methyleneheptanoate		1.3884	1.7889	1.1665	0.6010	1.5065	2.2718	0.7500	0.9708	0.8564	0.7949	2.5120	0.6104	0.3256	1.4946	1.5748	0.7365	1.1871	0.5375	1.1660	0.5370	0.7121	0.9954	0.9378	0.7656	1.2651	2.2002	2.1738	0.7707	1.5152	1.9266	1.0234	1.2176	0.6327	4.5104	3.8057	0.5381	0.3256	3.0497	0.9620	1.1165	0.7892	0.4538	2.2682	1.8820	0.6976	1.1956	0.5792	1.4710	1.4930	1.5089	0.7838	0.3256	1.3733	1.0421	2.0133	1.0046	0.6924	0.9706	0.4620	0.7735	0.8465	1.2793	0.3972	0.7295	0.5199	0.5791	0.3256	0.6540	0.5140	1.3770	1.2606	0.9907	1.0090	3.1659	0.5740
3_4-methyleneheptanoylcarnitine		1.1312	0.2780	1.0016	0.2780	0.6287	1.0468	0.8485	0.2780	0.2780	0.7097	1.5309	0.6604	0.2780	0.2780	0.9735	0.2780	1.1815	0.2780	2.3697	0.3744	0.7935	0.7205	0.3177	0.2780	1.8875	0.4492	0.7121	1.0855	1.1826	1	0.4970	0.7513	0.5483	0.2780	0.2780	0.7301	0.2780	1.7540	1.1888	0.7507	0.2780	0.2780	0.2780	3.1035	1.1921	0.2780	1.6655	4.8293	2.1297	0.2780	0.2780	0.2780	1.6962	0.8998	0.9616	0.6974	0.8839	1.0753	0.2780	1.3456	0.6369	2.4124	0.2780	0.5302	0.2780	0.6639	0.2780	0.2780	0.2780	1.3352	1.0416	1.7872	2.9236	1.7021	0.3038
3_7-dimethylurate	3,7-Dimethyluric acid	0.9670	0.4601	0.2065	0.1181	0.9560	0.1181	0.1181	0.1181	1.4162	1.0330	1.3182	0.1181	1.0513	4.8613	1.5322	1.0821	0.4504	4.0127	1.8316	0.2729	1.5186	1.6844	0.7649	0.4300	0.1181	0.8085	1.6980	0.8364	1.1344	0.4223	0.3133	0.1181	0.1815	0.1181	0.6270	2.0738	0.1181	1.9464	0.3023	0.8665	0.1181	1.2969	0.3967	0.1181	0.6763	0.6080	0.7707	0.3080	0.1181	0.4564	0.1181	0.1181	0.7124	3.7308	1.4170	1.6495	2.5074	2.2363	0.1181	0.1181	0.6202	0.3793	0.4115	1.1489	9.7507	1.1957	7.4815	0.7488	3.9481	1.4927	1.0761	0.1181	0.1181	0.5832	1.9261
3-acetylphenol sulfate	3-Acetylphenol sulfate	0.3997	0.3997	0.3997	0.3997	0.3997	1.0240	0.3997	0.3997	0.3997	1.0301	0.3997	0.4725	0.3997	0.4894	0.3997	0.4828	0.3997	1.3114	0.3997	0.3997	1.6815	0.3997	0.3997	0.3997	0.3997	0.3997	0.3997	0.9499	0.3997	0.3997	0.3997	0.4975	0.3997	0.3997	0.3997	1.7705	0.3997	0.9760	0.3997	0.3997	0.3997	1.3210	0.3997	0.3997	0.9054	0.3997	0.3997	0.3997	0.3997	0.3997	0.3997	0.3997	0.3997	1.3995	3.2587	1.8919	0.3997	1.8225	0.9221	0.3997	0.3997	0.3997	0.8408	0.3997	8.8961	0.9109	6.6541	1.2135	1.5074	0.8297	1.0341	0.7646	0.3997	0.6734	0.4457
3-aminoisobutyrate	3-Aminoisobutanoic acid	0.8099	1.3190	1.0665	0.5290	2.4562	0.9473	0.6104	0.7176	1.0641	0.9380	1.3678	0.3922	1.0838	0.7475	1.4296	0.1305	1.3796	1	1.4042	1.0439	0.7209	1.3936	1.1562	0.5233	0.7633	0.6606	0.7828	0.5468	0.9092	0.9559	0.6941	0.5111	1.6072	1.7965	1.3176	2.7737	1.1794	0.8848	1.1310	1.1279	0.1580	0.7738	1.1547	0.6444	1.4256	1.2860	0.7356	0.8703	1.1309	1.7762	1.7854	1.0111	1.6969	1.2938	1.4755	0.4834	0.8258	1.1386	0.3602	0.4964	0.4989	0.8213	1.2059	0.9140	0.8868	1.0455	2.0443	1.4455	1.3507	0.9158	0.3941	0.7339	0.6317	1.4010	1.6415
3beta_7alpha-dihydroxy-5-cholestenoate	3beta,7alpha-Dihydroxy-5-cholestenoic acid	1.0001	1.2099	1.0777	1.2700	0.9877	1.0650	0.7112	1.0077	1.3450	1.7308	1	0.6848	0.3773	0.7281	0.5196	1.3235	1.1862	0.4999	1.5557	1.6064	1.2232	0.8735	1.4027	1.1606	1.8828	1.3229	1.0914	0.3331	0.4411	1.4299	0.3022	1.0298	1.2393	1.2684	1.3205	0.6351	0.3903	0.6203	1.0388	0.9661	0.4412	0.9224	1.5111	1.0368	1.3467	1.4069	0.9762	0.5876	0.8509	1.3011	1.2697	1.1522	0.7609	1.4608	0.8381	0.8808	0.5332	1.0261	0.3946	0.8055	0.5898	0.8596	1.7998	0.7089	0.8590	0.8058	0.8895	1.3529	0.9219	1.5226	0.2852	0.9497	0.6524	1.1151	0.8630
3beta-hydroxy-5-cholestenoate	Cholestenoic acid	1.0343	0.8009	0.9475	1.1785	1.1552	0.7687	1.1354	0.6844	1.1531	1.2164	0.6392	0.6731	0.7743	0.6634	0.6510	1.1443	0.8164	0.6688	0.6699	1.1157	1.1470	0.7759	1.0586	0.9109	1.5573	0.9713	1.2724	0.5939	0.5855	1.3252	0.4042	0.6825	1.0430	0.9406	1.0536	1.0069	0.4763	0.5828	0.8821	1	0.7264	0.6952	0.8439	0.6099	1.3098	1.5691	1.8210	1.0400	1.1655	1.1985	1.4322	1.1547	1.1956	1.3579	0.7287	0.8788	0.7036	1.2789	0.7439	1.0315	0.9519	1.0428	1.5441	1.1631	0.9630	1.0580	1.0308	1.1849	0.9648	1.2921	0.3072	1.0112	1.1443	0.7777	0.8879
3b-hydroxy-5-cholenoic acid	3beta-Hydroxy-5-cholenoic acid	0.3873	1.4549	0.3873	0.9917	0.7771	0.3873	0.8514	0.9480	0.3873	3.6916	1.0307	0.9434	0.3873	1.8053	0.3873	1.4085	0.7879	0.4479	1.5285	1.1854	0.3873	1.4045	0.7909	0.7083	0.9376	0.3873	1.2063	0.4044	1.4785	1	0.3873	1.6128	0.5245	0.3873	0.3873	0.9306	0.3873	0.4742	0.3873	0.3873	1.1350	0.7178	2.8346	0.8367	0.3873	1.2403	1.1268	0.7315	1.6196	0.8958	0.8700	1.0317	1.5926	0.3873	0.3873	0.3873	0.8029	0.8032	0.3873	0.8318	0.3873	1.1034	1.3414	1.3357	1.5988	0.6582	0.5595	1.1738	1.3039	0.3873	0.3873	1.3564	1.1694	0.3873	0.6091
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF)	3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid	1.1317	0.5862	2.5413	0.6917	1.7456	1.5601	0.9548	1.6582	0.8446	0.3128	2.9535	0.5432	0.4286	2.6544	0.5213	6.3915	1.1219	1.5038	1.3088	0.6774	1.2811	2.6386	0.1251	1.6723	1.1980	0.4397	2.7664	1.4474	1.6698	0.3781	0.5381	0.9481	0.6989	1.1340	0.3811	0.5480	0.0834	0.4393	1.1307	1.6757	0.5358	0.6318	0.0771	0.5714	0.2136	12.9711	2.3605	0.9048	0.0969	0.3416	0.3513	0.2283	0.8785	0.2256	0.4643	2.0011	1.5963	1.1019	0.6821	1.1516	1.7992	1.2704	10.3697	1.0665	1.1146	0.4043	1	1.1833	1.6176	0.0714	0.7149	1.3384	0.2595	1.5657	1.6982
3-(cystein-S-yl)acetaminophen*	3-(Cystein-S-yl)acetaminophen	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
3-hydroxy-2-ethylpropionate	2-Ethyl-hydracrylic acid	0.4826	1.3672	0.6329	0.7359	1.2796	0.9288	0.8342	0.8053	1.3258	0.8942	1.3057	0.3607	1.1661	0.8581	0.6351	0.8425	0.9819	1.7452	0.6771	1	0.9554	0.7824	0.7326	0.9234	0.8843	0.7504	1.0012	0.7721	0.9647	1.6921	1.0508	0.5473	0.7028	1.2155	1.4584	0.8132	1.0279	1.0055	0.8080	1.0971	0.5387	0.8762	1.2442	1.0060	1.2721	1.2621	1.1709	0.7702	1.0095	0.5824	1.2788	1.6535	1.5662	1.5318	1.3174	1.3947	0.7394	1.0185	0.9876	1.7549	1.0771	1.1815	1.1722	0.9382	0.7862	0.6114	1.3367	1.0300	1.5358	0.7763	1.0233	0.9914	0.7171	1.1202	1.1217
3-hydroxy-3-methylglutarate	3-Hydroxymethylglutaric acid	0.7640	1.6895	1.1507	0.9660	1.2709	1.0676	1.3387	0.9692	1.4598	1.6132	1.2649	0.9830	1.0153	0.8946	1.2529	1.1897	0.7825	1.0242	0.7233	1.2220	1.5436	1.4587	0.9041	1.6951	0.9294	0.9742	0.8549	1.0899	1.2773	0.8389	1.1072	1.2756	0.9247	1.3112	1.4438	1.2828	1	0.9948	0.9728	1.0603	0.7939	1.5622	0.9869	0.8694	0.9232	0.9594	1.3511	0.8748	1.0422	1.2257	1.2199	1.1003	1.2045	1.1014	1.6027	0.9465	0.8774	0.7685	0.9380	1.0598	0.6011	1.1885	0.7200	0.9667	1.0642	0.9400	1.4259	0.8002	0.8997	0.8815	0.8237	0.7840	0.9990	0.7528	0.9388
3-hydroxybutyrate (BHBA)	3-Hydroxybutyric acid	1.6260	2.4542	0.7310	2.1185	2.3434	1.3798	0.7476	2.6823	0.6487	1.0324	0.1875	0.3738	2.4081	4.1792	2.7137	2.5142	1.0757	2.5499	0.5307	2.8116	2.5309	4.0897	4.9140	0.9350	1.2462	2.5651	0.1873	0.3092	0.4390	0.6247	1.2949	2.7405	2.1792	16.8273	9.9522	0.4034	0.9297	0.3470	1.2048	2.8644	0.3009	0.4168	2.5856	0.6774	0.7938	0.6001	0.9720	0.2301	0.7603	0.7901	1.9928	1.2364	0.6264	1.7044	0.8472	0.2419	0.6156	1.0193	1.0474	1.4166	0.3135	0.5026	1.5699	0.4070	0.8204	1	1.9550	0.8187	2.0370	0.3091	0.6864	0.3999	0.4927	2.1421	0.4017
3-hydroxybutyrylcarnitine (1)	CAR 4:0;3OH	0.6710	1.7561	0.6776	0.8716	1.3677	1.1019	0.5606	1.6507	0.6752	0.8835	0.5293	0.5872	1.4722	3.3232	2.3786	1.8639	1.3369	1.1318	0.7257	1.2995	0.8117	3.2890	1.9911	0.8193	2.0406	2.1229	0.2631	0.7547	0.5413	0.5998	1.8010	1.4496	1.4882	6.7267	3.6126	0.6836	0.9975	0.5605	1.4175	2.6717	0.4409	0.8366	1.4498	0.7883	1.4664	0.7860	1.2368	0.6726	1.3603	1	2.0655	1.2036	1.2879	1.6264	1.9363	0.5503	0.9610	0.8557	1.2031	1.5772	0.4485	0.9495	0.6324	0.6350	0.6000	0.8431	1.0662	1.2540	0.9643	0.5951	1.2535	0.4931	0.9201	1.8560	0.6794
3-hydroxybutyrylcarnitine (2)	CAR 4:0;3OH	0.9507	1.7208	1.5026	1.2220	1.1125	1.0540	0.8203	1.1846	1.0629	1.4455	0.8268	0.8569	1.1085	2.7415	2.4958	1.7529	1.2627	1.1037	0.7450	2.9940	2.5070	1.5448	1.9567	0.6433	1.2977	1.0338	0.4417	0.6670	0.6897	0.4239	2.1454	0.8292	0.9793	3.4851	2.4773	0.6301	0.8935	0.5860	1.3353	1.3187	0.4403	1	1.8567	1.0330	0.9646	1.0137	0.8845	0.7536	1.2918	0.5380	0.8664	0.8126	0.8415	1.4425	1.3469	0.6178	1.0332	0.8296	0.9386	0.8693	0.7154	1.3237	0.6045	0.7250	0.6034	1.1663	0.8001	1.0818	0.5242	1.0960	0.7270	0.6712	0.7963	1.4531	0.4829
3-hydroxycotinine glucuronide	trans-3-Hydroxycotinine glucuronide	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
3-hydroxydecanoate	3-Hydroxydecanoic acid	0.9551	1.0469	1.1623	0.7428	1.0143	0.7528	1.6061	1.7499	1.2983	1	1.3908	0.6464	0.7795	1.3443	0.9055	2.1770	0.8138	1.9877	0.6228	1.2734	1.3556	1.1751	1.8395	1.0965	1.4246	1.5419	0.4603	0.7200	0.8565	0.6954	1.0699	1.5226	0.5454	2.8741	2.1152	0.8579	0.8427	0.3857	1.6067	1.3081	0.5477	0.9027	1.8132	0.7482	1.4258	0.7715	0.8418	0.5632	0.9501	1.0521	0.8720	1.0531	0.8040	0.8490	1.7064	0.4787	1.0685	1.2559	1.5473	0.9512	0.6448	0.9724	1.1270	0.6978	1.2656	0.8523	2.2836	0.6529	1.2236	0.4193	0.5289	0.3760	0.4959	1.8687	1.1653
3-hydroxyhexanoate	3S-Hydroxyhexanoic acid	0.8363	1.6126	1.0206	0.8348	0.9876	1.1505	1.1335	1.2935	1.3363	1.2379	1.4639	0.4625	1.4536	1.7612	1.1188	1.3309	0.8210	1.4219	0.6171	1.3697	1.2273	1.3463	1.3102	0.7344	1.0617	1.3634	0.6707	0.5235	0.6557	0.6472	1.3434	1.0427	0.9215	4.2035	4.8673	0.5733	0.8427	0.9155	1.3375	1.5657	0.4130	0.8505	1.5812	0.8340	1.0674	0.8973	0.9456	0.5782	0.9376	0.8271	0.9767	1.1174	1.2479	1.1085	1.5000	0.5262	1.1240	0.9630	1.0712	1.0071	0.7864	0.9442	0.8699	0.7179	1.1526	0.8628	1	0.7995	1.1318	0.6003	0.8869	0.5816	0.5039	1.4763	0.8508
3-hydroxyhippurate	3-Hydroxyhippuric acid	0.7243	0.1783	2.3204	0.6292	0.4509	1.9214	2.8744	1.0003	0.4690	2.3713	0.5777	1.2977	1.4571	0.9811	0.6156	0.6796	0.2371	2.0609	0.9694	1.3975	1.0734	0.2591	1.2175	0.4472	0.3320	0.0635	0.3660	2.7222	0.1958	1.3724	0.8025	1.0718	1.3288	0.1122	1.2996	2.5810	0.8060	0.9997	0.4781	0.2093	0.0291	3.0415	1.5268	0.9807	2.8188	0.7264	1.3575	0.8796	1.0110	1.0127	0.8449	0.4947	1.2632	1.4932	5.6132	2.2739	0.0291	0.0939	1.5760	0.1004	0.2585	0.5637	1.3189	1.1174	16.0108	2.8611	3.9685	2.7315	0.5436	4.3608	4.9232	4.4547	0.4519	0.7056	0.6654
3-hydroxyisobutyrate	3-Hydroxyisobutyric acid	0.5435	1.0934	0.8429	1.2208	0.5737	1.5048	1.1088	0.7582	1.4617	0.5463	0.5570	0.4796	0.9126	0.9068	0.2730	1.1386	0.8793	1.9127	0.8167	1.3134	0.7629	0.8689	0.9951	1.1134	1.0003	1.4402	1.0050	0.7440	0.6327	1.0173	0.9612	0.3578	1.3412	0.2730	0.2730	0.8939	0.9238	0.9755	0.7597	2.1299	0.7826	0.7770	1.0002	0.9685	0.9561	0.9417	1.2814	1.0512	1.5193	1	0.9679	1.3328	1.3482	1.8858	1.4708	1.3855	1.4298	0.8201	1.3136	1.3322	0.7761	1.2780	2.1947	1.1543	0.7183	1.3630	3.3811	0.8137	2.1683	0.7524	1.7249	0.9103	0.8335	3.0182	1.3706
3-hydroxylaurate	3-Hydroxydodecanoic acid	0.9883	1.1110	1.3304	0.6800	1.0854	0.6573	1.5469	2.3872	1.6823	1.2232	1.7004	0.5682	0.8678	1.5123	0.9750	2.1198	0.9421	2.6179	0.7156	1.2984	1.4048	1.1586	1.6473	1.0645	1.2412	1.9852	0.5831	0.6710	0.8629	0.9230	0.9707	1.3486	0.5667	1.3135	2.4265	1.2591	1.1379	0.3385	1.8066	1.5483	0.7700	0.9102	2.1284	0.6216	1.1103	0.8116	0.8174	0.5328	0.8368	1	0.7744	0.9459	0.9440	0.8923	1.9441	0.5990	1.0383	1.6318	1.4254	1.2138	0.6325	0.9774	0.9271	0.7412	1.0314	0.7627	1.9183	0.7056	1.4964	0.3001	0.7337	0.3808	0.4613	1.5185	1.2194
3-hydroxyoctanoate	3-Hydroxyoctanoic acid	0.8370	1.1955	1.0003	0.7145	1.3949	1.0171	1.2217	1.4866	1.1752	1.1472	1.4162	0.5418	0.7777	1.2903	1.1231	1.7429	0.7442	1.5308	0.5976	1.3170	1.1605	1.2732	1.5109	0.8836	1.2939	1.4040	0.5807	0.5632	0.8155	0.7576	0.8996	1.4180	0.6273	3.8446	3.1402	0.6655	0.7352	0.7193	1.4528	1.3210	0.4646	0.8900	1.5040	0.7386	1.2675	0.8066	0.7697	0.7214	1	0.9697	1.0271	1.0368	0.9904	0.9126	1.7904	0.4417	0.9223	1.1230	1.2775	0.8519	0.7043	0.9218	1.0129	0.7447	3.5139	0.9626	1.7856	0.6002	1.0866	0.5541	0.6537	0.4915	0.5326	1.6003	1.0579
3-hydroxyproline	cis-3-Hydroxyproline	1.1659	0.7120	1.1264	0.7569	1.1398	1.2010	1.1370	1.0081	1.0695	1.4391	1.1925	1.0415	0.8393	0.8034	1.0228	0.9590	0.8030	1.0274	1.0903	1.1308	0.9331	0.6614	0.9668	0.9444	1	0.9199	1.1284	1.2291	1.1261	0.9381	0.7403	0.8650	1.0029	0.8888	1.6055	0.6628	0.8448	1.1977	1.1918	1.0381	1.0269	0.6492	0.7932	1.1052	0.8446	0.8513	0.6077	1.1213	0.7701	0.6015	0.9777	1.0365	1.2530	1.1820	1.0379	0.7909	0.8479	1.0500	1.1438	0.8898	0.8634	0.8398	0.9365	0.8873	1.0834	0.9045	0.5409	1.1398	0.5036	1.0906	0.9436	0.8919	1.1305	1.0735	1.1698
3-hydroxypyridine sulfate	3-Hydroxypyridine sulfate	0.0837	1.8424	0.6238	0.4829	1.0149	0.4571	0.4698	0.3317	0.6411	14.1218	3.1448	0.5507	0.0745	1.3513	2.9990	2.8693	0.8774	0.9085	0.3193	3.0494	9.3148	0.5030	4.0532	0.3578	0.0977	0.3370	0.4187	3.2983	0.7632	0.1732	0.2200	0.2161	0.0745	0.3188	1.9629	1.9737	0.8001	2.1404	3.4637	1.2635	0.3268	1.2173	0.0745	1	0.2838	2.1094	1.7054	1.6358	0.2581	0.9509	0.9052	0.2806	5.1360	0.6589	3.3027	2.4024	4.3877	42.8746	1.9548	0.5218	0.8004	0.4775	4.2704	2.5771	10.6948	2.4957	10.1269	4.6901	1.5490	0.8311	5.9821	2.9392	0.9499	4.5434	0.2923
3-hydroxysebacate	3-Hydroxysebacic acid	1.0229	2.0643	0.5414	0.6789	1.6777	0.8768	1.0801	1.0747	0.5707	2.3081	0.9303	0.5953	1.3071	2.7892	1.5106	1.3344	0.7493	1.9996	0.4753	2.5452	1.2391	2.6098	1.8169	0.9095	1.2307	0.9616	0.4032	0.6668	0.7710	0.5310	1.5029	2.2941	0.9919	10.6522	4.2087	0.4032	0.6439	0.4738	2.0190	1.1844	0.5058	0.6742	2.5232	0.8456	2.6020	0.8637	1.0081	0.4898	1.2541	1.1904	1.2229	1.8120	0.4032	1.1941	1.6595	0.4705	0.6117	0.9311	1.6668	1.1048	0.4032	0.5576	0.6745	0.5799	4.1070	0.5910	1.8815	0.6278	0.6879	0.7615	0.5220	0.5302	0.5460	1.8738	0.8622
3-hydroxystearate	3-Hydroxystearic acid	0.8637	0.9556	1.2709	1.0028	1	0.9180	1.1563	1.4069	1.0979	1.2065	0.9844	0.6042	0.8821	0.8893	1.1165	1.8870	0.8180	1.3309	0.6657	1.1814	1.0655	1.1844	1.4082	0.8878	1.3419	0.7996	0.8815	1.1279	0.8480	0.9108	0.8394	0.9101	0.6012	0.8524	1.4911	1.2964	0.9589	0.8282	1.5671	1.1178	0.8416	0.9238	0.8697	0.8006	1.4229	0.8397	1.1321	0.9301	0.8372	0.7590	0.9039	1.0816	1.0293	1.1973	1.5391	1.1105	1.0478	0.8250	1.2524	1.0965	0.8677	1.0911	0.9535	0.8680	1.1043	1.1235	1.5058	1.1416	1.0824	0.7190	0.9402	0.7304	0.7230	1.1455	1.1988
3-indoxyl sulfate	Indoxyl sulfate	0.7755	1.4264	1.0897	0.7045	0.8944	1.5316	0.6326	0.2517	0.6597	1.2823	1.2823	1.4740	0.4521	0.7461	0.9910	0.7043	0.2698	1.8142	1.4886	1.0773	0.4839	1.2142	1.0845	1.6400	0.8730	0.6872	0.6929	0.3130	1.0449	0.8793	0.5123	0.6765	0.8423	0.7706	0.2878	1.1876	0.5423	0.9366	1.2604	0.6570	1.0023	0.9505	0.5089	2.7956	1.2083	1.2596	1.4016	1.6982	1.1863	1.1568	1.2415	1.4322	0.9196	1.4125	0.6322	1.1328	0.0515	0.2216	1.8515	1	0.6672	0.5289	1.4557	1.9422	1.0170	0.5422	1.3537	1.7430	1.3924	2.4919	0.5537	0.7730	2.0839	1.4036	0.9900
3-methoxycatechol sulfate (1)		1.0938	0.0412	20.8795	1.5308	0.1754	7.0797	4.1588	0.6056	0.2838	2.9840	0.3046	9.6880	0.0920	0.8106	1.3658	2.1460	0.2262	2.4323	2.1534	1.0276	2.4106	0.0434	0.1719	0.7632	9.6378	0.2115	0.0412	2.6465	0.0704	1.6204	0.2299	0.0986	0.6009	0.2085	1.6090	0.3563	1	0.6726	0.8830	0.1579	0.0412	0.3009	11.0599	0.1921	0.8572	0.8002	2.0022	1.0527	0.4944	2.9645	1.9091	1.2446	0.7358	1.0985	3.8959	2.1257	2.8733	1.3482	0.5023	0.1010	0.1464	7.1394	10.4038	0.5861	3.8004	2.9482	0.4529	0.3240	1.4070	13.9449	1.8157	1.6804	0.4491	0.6977	0.2132
3-methoxycatechol sulfate (2)		0.2790	0.2790	1.2769	0.2790	0.2790	0.2790	2.5447	0.2790	0.5112	2.2474	0.2790	1.7580	0.2790	1.7986	0.4735	1.7540	0.2790	0.2790	0.2790	0.4913	2.4710	0.2790	0.9007	0.2790	0.2790	0.2790	0.2790	1.6528	0.2790	0.2790	0.8834	0.2790	0.5117	0.2790	0.2790	0.3056	0.2790	1.0017	0.2790	0.2790	0.2790	0.9137	1.2533	2.7996	0.2790	0.2790	0.4799	1.5857	1.3278	2.5710	0.2790	1.5967	0.3184	0.6537	0.2790	0.6404	0.2790	0.4159	0.2790	0.2790	0.2790	0.6037	0.6438	1.0375	0.9983	0.2790	0.8939	0.2790	0.2790	3.6693	0.4817	1.6896	5.9497	0.2790	0.2790
3-methoxytyramine sulfate	3-Methoxytyramine sulfate	0.9535	0.9032	1.1327	0.8461	1.2444	1.9414	2.4056	0.4540	1.1721	0.9992	0.4540	0.4540	0.5745	1.0691	1.2238	1.4976	1.0547	0.9769	1.1258	0.4540	0.5688	1.1078	1.1011	0.4540	0.9467	0.4540	0.9359	1.3825	1.4582	0.4540	0.4540	1.3159	0.7523	0.4540	1.0008	0.9549	0.8336	1.7545	1.2072	0.7994	0.8451	1.1975	0.4540	0.8983	0.9019	0.4540	1.5165	1.1374	0.7792	0.4540	1.1638	0.4540	0.8420	0.4540	0.4540	0.8803	0.9197	1.2626	0.9937	0.4540	0.7181	0.4662	0.6752	0.9637	0.9563	1.5296	3.1386	0.4540	0.4540	1.0272	1.0936	0.8421	0.4540	0.4540	1.5021
3-methoxytyrosine	3-Methoxytyrosine	1.2681	1.0299	0.9907	1.2860	1.2724	1.1921	1.9197	0.9238	1	1.2355	1.2097	0.9151	0.8809	0.8246	1.4902	1.6819	1.4278	0.9337	1.1290	0.9125	0.9176	1.2030	1.0655	0.7775	1.0491	0.7079	1.2189	0.8676	0.8690	0.9637	0.9190	1.2668	0.8975	0.5897	1.2047	0.6834	0.9516	1.1730	1.5866	0.5873	1.1989	0.9809	1.5647	0.8257	0.9973	0.9584	0.7871	0.7669	1.1607	1.3541	0.7962	1.1457	0.4822	0.8801	1.1641	1.0010	0.5231	1.4709	1.2127	0.7026	1.3456	1.1261	0.9038	0.8043	1.1185	1.0760	0.8129	1.2545	0.6142	1.3946	0.5879	1.0505	1.3397	0.7500	0.6226
3-methyl-2-oxobutyrate	Ketoisovaleric acid	0.6722	0.7390	0.7788	0.9405	1.0484	1.1379	0.8893	1.0137	0.9363	0.7576	0.7057	0.7278	1.1602	0.7113	0.9858	1.1014	0.6603	1.1106	0.8145	0.8667	0.7968	1.1769	0.8681	0.8942	0.9483	0.8838	1.0453	1.0267	0.9319	1.0644	0.9753	0.7268	0.8577	1.1190	1.2028	1.0277	0.9587	0.8732	0.7549	1.3148	1.0522	0.7456	0.7616	0.8905	1.1188	1.1278	1.1058	0.8655	1.0501	0.9286	1.2222	1.1749	0.9844	1.2032	1.1960	1.2334	1.1714	0.9363	0.9515	1.4587	1	1.1528	1.2147	1.1017	0.9896	1.1804	1.5034	1.1121	1.0638	0.8246	1.7151	1.0870	0.9628	1.3667	1.2346
3-methyl-2-oxovalerate	3-Methyl-2-oxovaleric acid	0.5537	0.8553	0.7915	0.9316	0.8347	0.9609	0.8046	0.9085	0.7872	0.7777	0.7144	0.6477	1.4111	0.6369	0.9360	1.1694	0.5779	0.9705	0.6805	1.0147	0.6750	1.4279	0.5527	0.8776	1.1575	0.8400	0.9369	1.3079	0.8939	1.1312	0.9115	0.7117	0.9153	1.2885	1.1369	1.0204	0.8874	0.9525	0.9972	1.1960	0.9622	0.8482	0.7505	0.9880	1.2948	1.1007	1.1511	1.2860	1.0892	0.9292	1.2405	1.2135	0.8111	1.3571	1.5672	1.4303	1.1874	0.8461	0.9341	1.4391	1	1.2340	1.2466	1.1242	1.2799	1.3550	1.4675	1.1451	1.3762	1.2484	1.8869	1.2007	1.2211	1.4957	1.2690
3-methyl catechol sulfate (1)		0.1076	0.1926	0.3619	1.9098	0.1444	1.0368	0.5963	0.0889	0.2208	3.2576	6.0799	2.7090	0.0688	0.1866	2.6440	2.3992	1.0021	0.8081	1.0171	0.5941	2.2326	0.1466	3.2874	0.2596	1.3939	0.1398	0.3630	1.1774	0.2043	0.4142	7.3180	0.1003	0.0688	0.0688	0.6631	0.8059	0.2689	1.9329	1.8490	0.9073	0.1489	0.6384	0.0688	0.5237	0.3674	1.1414	0.6565	1	3.6394	0.5761	0.3702	0.5904	0.7626	1.8807	1.5800	1.8631	3.7881	12.0876	0.9595	1.0932	0.0688	1.0458	3.6397	3.3457	8.2684	2.6617	5.1955	3.4943	3.1219	0.9273	4.1364	2.7701	0.7294	2.6272	0.1857
3-methylcytidine	3-Methylcytidine	1.0433	0.8510	0.8078	0.8874	1.0208	0.8032	0.9387	0.7325	0.8867	0.9876	1.0866	0.6612	0.9719	1.0152	0.9417	0.7570	0.7558	1.4056	0.7059	0.8800	0.9048	0.9658	0.8205	0.7402	0.8554	0.8152	0.9017	1.1037	1	1.0533	1.0787	0.7917	0.8628	1.1970	0.9729	1.4888	1.3851	1.4368	0.6548	1.0751	0.9497	1.2748	0.6706	0.7517	1.1137	1.1161	1.3849	1.4912	1.1473	1.4039	1.5714	1.1233	1.6988	1.0610	0.8396	2.2824	1.2520	1.0009	1.0511	0.9803	0.4893	1.1019	1.0676	0.9492	1.1263	0.8961	1.2764	0.8936	0.7731	1.3354	1.0496	1.1242	0.9486	1.2087	1.2272
3-methylglutaconate	3E-Methylglutaconic acid	1.4146	1.8519	3.6196	0.7401	1.0374	0.6815	0.4399	0.5203	1.6039	2.4230	1.3351	0.4543	0.6064	0.4412	0.7005	0.7208	0.3073	0.9346	0.6758	0.6057	1.3174	0.7205	0.9258	0.4882	0.6624	0.5780	0.6738	1.0232	2.6408	0.8928	1.4354	0.7730	1.0549	0.6158	1.7404	1.2582	4.2818	3.2066	0.9659	1.2454	0.5079	0.6875	3.7604	2.1285	0.8768	1.1669	1.0012	1.1032	0.9620	0.8823	2.0780	1.1515	1	1.2115	1.6108	1.2754	0.6857	0.6643	0.8038	2.1142	0.4282	1.1541	1.2676	1.0252	0.7614	1.3767	2.2458	0.8321	1.2492	0.8527	0.6830	0.8563	1.1558	1.3944	1.6288
3-methylglutarate/2-methylglutarate	Methylglutaric acid	1.1519	1.9232	1.6494	0.3080	1.2614	0.9032	0.7568	0.2798	1.2761	3.1236	1.8438	0.7989	1.1723	0.3650	0.8915	1.5201	0.4199	1.4671	1.2276	0.4496	1.2127	0.6957	1.3597	1.2614	0.2798	0.6538	0.9393	1.0529	2.3551	0.3259	1.3381	0.4624	0.4950	1.4922	1.9919	0.8949	3.0621	2.4420	1.0096	2.6155	0.4382	1.8939	3.6756	1.7782	0.3783	0.9068	0.4480	0.5244	1.4142	0.3630	0.4853	1.2160	0.2798	0.8550	0.9224	0.3158	0.2798	1.4532	0.4849	1.1817	0.2798	0.8869	0.9559	1.4105	0.7129	1	1.7431	0.6445	0.5823	0.2798	0.2798	0.5778	0.6059	1.0652	1.4740
3-methylglutarylcarnitine (2)	CAR DC5:0;3Me	1.8548	3.9346	4.4834	0.4155	1.2608	0.5683	0.6019	0.3753	2.8293	5.9366	2.8841	0.8172	0.9615	0.4374	1.0723	0.7841	0.4071	0.9273	1.1073	1.1066	0.9408	0.6651	0.8127	0.2263	0.1499	0.3488	0.4556	1.7000	3.7748	0.9904	2.3837	0.8763	0.6197	0.3660	0.6781	1.0096	15.0239	9.9937	0.9677	1.4465	0.2328	1.0247	6.4089	2.7902	1.1452	3.4954	1.3662	0.8501	1.2810	0.4921	0.8403	0.7974	0.8478	2.9145	0.4987	1.6224	0.5657	2.1328	0.6222	1.8926	0.1499	0.6055	2.4915	1.6247	1.5159	0.9138	2.2531	0.8341	0.8049	1.1611	0.8561	1.0467	1.4881	1.0166	1.4172
3-methylhistidine	3-Methylhistidine	0.9103	0.1258	0.0326	0.4411	0.1426	3.8061	0.0355	1.0588	0.7392	1.7176	0.3203	0.4732	1.1343	0.0464	1.0682	1.0883	1.2930	2.1770	0.5026	0.0454	0.0257	2.7417	0.0297	0.4867	2.4091	0.0351	1.7376	0.2501	0.5428	2.5815	0.0580	0.6183	4.3589	1.7772	2.4745	2.7168	0.8119	1.0338	0.2376	2.9547	1.2924	0.0590	0.0383	2.5708	0.2397	2.7277	1.4298	3.2163	0.0424	0.4217	5.6921	0.1105	3.5754	2.1289	0.9836	0.4815	1	0.7837	1.1011	3.3542	0.1290	2.0353	2.0135	0.0481	1.0018	0.0372	3.7724	1.3582	1.2922	0.8632	2.8457	2.4433	0.2735	0.7139	4.1468
3-methylurate*	3-Methyluric acid	0.1269	0.1269	4.1217	1.2980	0.1269	0.1269	0.1269	0.1269	0.1269	0.2433	0.1269	0.1269	0.1269	0.1269	0.1269	0.1269	0.1269	0.1269	0.1269	0.1269	0.1269	0.1269	0.1269	0.1269	2.2535	0.1269	0.1269	0.1269	0.1269	0.1269	0.1269	0.1269	0.1269	0.1269	12.5966	0.1269	0.1269	0.3052	10.7759	0.1269	0.3062	0.1269	0.1269	0.1269	0.1269	0.1269	0.1269	0.1269	0.1269	0.1269	1	0.1269	0.1269	0.4122	0.1269	0.2014	0.2381	0.1269	0.1269	0.7628	0.1269	0.1269	0.1269	0.1269	5.1010	0.1269	1.3637	0.1269	1.0295	0.1269	0.1269	0.1269	0.1269	0.1269	0.1269
3-methylxanthine	3-Methylxanthine	1.0453	1.2575	0.6769	0.1318	0.4265	0.3024	0.1464	0.1318	1.6203	1.7897	1.1901	0.1766	1.4247	3.2573	1.5507	2.0746	0.5102	2.9486	0.6968	0.9127	2.9244	1.2690	1.3639	0.6240	0.1318	1.0699	0.8160	1.5146	1	0.4237	0.6421	0.1318	0.2657	0.1318	0.9717	2.2523	0.6567	2.1769	0.3567	1.2362	0.1318	3.0837	0.3713	0.1318	1.2260	0.6800	0.6244	0.4045	0.1318	0.9891	0.1318	0.2901	0.7181	3.7607	1.7658	1.7077	2.9253	2.4169	0.1401	0.1318	0.7859	0.2362	0.5966	2.7508	21.1583	2.2961	8.0193	1.5709	5.9428	1.1973	0.7336	0.1722	0.1318	0.6635	0.9949
3-(N-acetyl-L-cystein-S-yl) acetaminophen	3-(N-Acetyl-L-cystein-S-yl) acetaminophen	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
3-phenylpropionate (hydrocinnamate)	Hydrocinnamic acid	0.1498	1.2737	2.3858	0.6901	0.5714	0.1961	0.1414	0.2729	3.2562	2.2877	2.0873	0.0542	0.0542	2.2470	1.3956	1.5003	2.1314	2.7238	0.1455	1.3149	4.3765	0.6803	1.6841	1.3593	0.2022	0.5264	1.2273	0.5044	0.9480	1.4817	0.5846	0.0542	0.0633	1.3531	0.1304	2.0200	1.8939	2.4397	0.5615	1.1386	0.9082	1.0353	0.0542	5.4266	0.0542	0.8761	1.3464	1.4027	0.4502	1.2615	0.3315	0.8230	1.0283	0.5022	0.1130	1.2721	0.0542	0.0542	0.7479	0.5524	0.8023	0.0988	1.1887	0.8952	0.6746	0.2372	3.9380	1.4731	1.5245	0.7684	0.0616	0.0542	2.3421	2.1937	0.9717
3-phosphoglycerate	3-Phosphoglyceric acid	0.7452	0.5354	3.6226	0.4187	1.1597	1.1352	1.9537	1.8170	1.5728	0.5043	1.0504	1.1746	1	3.8381	7.3532	1.6973	0.9664	0.7584	0.7761	2.0667	1.3460	1.2787	0.4318	1.4805	1.3615	1.6541	0.8157	0.1433	4.1812	0.6844	4.3624	0.8163	3.3743	0.1890	0.2491	4.7921	0.3105	0.4343	2.2565	0.4577	0.6546	0.8676	1.2389	4.0781	0.8846	1.8168	2.0265	1.3966	1.2650	1.0379	0.4753	0.9900	0.4268	0.4516	2.6362	1.1411	0.5207	9.7509	0.8871	1.6998	0.6159	1.5869	1.6694	1.3969	1.2519	0.9382	0.3741	0.5641	0.1870	0.8029	0.4928	0.5209	0.6869	0.5612	0.6497
3-ureidopropionate	Ureidopropionic acid	0.4613	0.7993	1.0785	1.7823	0.7476	0.9183	0.8880	1.1562	0.8890	1.0333	2.2940	0.6157	0.6295	0.6408	0.8368	0.9599	1.0592	1.0032	0.6579	1.1637	1.3774	1.1818	0.8591	2.8228	1.0455	0.2498	0.5057	0.8170	0.2498	0.8925	0.9968	0.4821	0.6798	0.7539	0.5716	1.0132	1.3424	0.8390	1.0967	0.6134	1.1016	1.2176	0.8111	1.0133	0.5173	0.6344	1.1543	0.8232	0.8788	1.1885	1.1624	1.5089	1.3071	0.9600	1.3932	1.6370	0.4212	0.9121	1.3795	1.7109	1.0573	0.8580	0.7066	0.9450	1.6461	1.0490	1.2307	0.5592	1.6373	1.6558	1.1478	1.2670	1.1748	1.0800	0.7132
4-acetamidobutanoate	4-Acetamidobutanoic acid	1.6279	0.9500	1.4710	0.3842	0.8121	2.8896	1.8406	1.3086	1.2187	1.8577	2.2689	0.7999	1.4804	0.9060	1.0142	0.6233	1.1411	1.7763	0.7149	1.2051	1.0285	0.5736	1	0.4239	1.7010	2.3683	0.6238	0.7583	2.3049	0.7754	0.4649	0.7997	0.9834	1.4949	1.4398	7.7772	1.5270	4.2764	0.5021	2.9681	1.9035	1.7771	2.2859	3.6526	0.9651	0.9491	2.1619	1.3582	0.6628	0.7043	0.7673	0.7240	1.0462	1.0230	0.8409	0.8849	0.7372	1.9164	0.7236	0.7195	0.3800	0.7423	2.8884	1.5707	3.5767	0.9309	6.7150	0.9961	1.5074	0.8522	0.5039	0.7585	0.5020	0.7171	0.8896
4-acetamidophenol	Acetaminophen	0.7870	0.7870	0.7870	0.7870	0.7870	0.7870	0.7870	0.7870	0.7870	0.7870	7.5127	0.7870	1	0.7870	0.7870	0.7870	0.7870	0.7870	0.7870	0.7870	0.7870	0.7870	0.7870	0.7870	0.7870	0.7870	0.7870	0.7870	0.7870	0.7870	0.7870	0.7870	0.7870	0.7870	0.7870	0.7870	0.7870	0.7870	0.7870	0.7870	0.7870	0.7870	0.8349	0.7870	0.7870	0.7870	0.7870	0.7870	0.7870	0.7870	0.7870	0.7870	0.7870	0.7870	0.7870	0.7870	0.7870	0.7870	0.7870	0.7870	0.7870	0.7870	1.4500	0.7870	0.7870	0.7870	0.7870	0.7870	0.7870	0.7870	0.7870	0.7870	0.7870	0.7870	0.7870
4-acetamidophenylglucuronide	p-Acetamidophenylglucuronide	0.2969	0.2969	0.9056	0.2969	0.2969	0.2969	0.2969	0.2969	0.2969	0.2969	16.6369	0.2969	0.2969	1.3693	0.2969	0.2969	0.4134	0.2969	0.2969	0.4903	0.2969	0.2969	0.7372	0.2969	0.2969	0.2969	0.2969	0.2969	0.2969	0.2969	0.2969	0.2969	0.2969	0.2969	0.2969	0.2969	0.2969	0.2969	0.2969	0.2969	0.2969	0.2969	1.2532	0.2969	0.2969	0.2969	1.0944	0.2969	0.2969	0.2969	0.2969	0.2969	0.2969	0.2969	0.2969	0.7730	0.2969	0.2969	0.2969	0.2969	0.2969	0.2969	3.4755	0.2969	0.2969	0.2969	0.2969	0.2969	1.3047	0.2969	0.2969	0.2969	0.2969	0.2969	0.2969
4-acetaminophen sulfate	Paracetamol sulfate	0.1104	0.1104	1	0.1104	0.1104	0.1104	0.1932	0.1104	0.1104	0.1104	25.8110	0.1104	0.1104	2.8759	0.1640	0.1104	0.9881	0.1145	0.8670	1.3946	0.1104	0.1104	1.6086	0.1104	0.1104	0.1104	0.1104	0.4467	0.1104	0.1104	0.1104	0.1104	0.1104	0.1104	0.1104	0.1104	0.1104	0.1104	0.1104	0.1104	0.1104	0.1104	1.4693	0.3018	0.1104	0.1104	1.4309	0.1104	0.1104	0.1104	0.1104	0.1104	0.1104	0.1104	0.1104	1.0791	0.1104	0.1104	0.1104	0.1104	0.1104	0.1104	6.2312	0.1104	0.1104	0.1104	0.5045	0.1104	4.9070	0.1104	0.1104	0.1104	0.1104	0.1104	0.1104
4-acetylphenol sulfate	4-Acetylphenyl sulfate	0.1872	1.3311	3.2437	0.6197	0.1872	0.7815	0.3948	0.4737	0.7235	1.1122	0.1872	0.1872	0.1872	0.7034	0.7619	1.2055	0.9596	1.1179	0.1872	0.6011	2.1688	0.4973	0.1872	0.1872	0.1872	0.1872	0.4960	0.9474	0.1872	0.1872	0.3921	0.2755	0.1872	0.1872	0.1872	1.9055	0.4736	1.4585	0.1872	0.6255	0.2635	1.4105	0.1872	1.7634	0.1872	0.3132	1.1529	1.1250	0.1872	5.4399	0.2648	0.8017	2.4900	0.1872	0.1872	8.0378	0.1872	0.5719	2.8561	0.1872	0.1872	0.4883	1.3930	1.5356	1.8427	2.6225	7.1114	0.7947	1.0404	1.7764	0.5341	2.3760	2.2244	0.1872	0.1872
4-allylphenol sulfate	4-Allylphenol sulfate	1.3518	0.9444	2.0161	4.1601	1.2169	11.6469	1.0464	5.6974	0.5195	1.1727	1.0414	0.1545	0.0094	0.1873	0.5813	0.4712	1.5937	5.4016	0.1248	1.1956	1.6292	0.5860	2.3038	1.1291	1.4567	0.6311	0.6074	0.6068	0.7220	0.2525	1.1382	0.7983	0.4762	0.3906	2.3171	1.2868	11.8546	1	0.7590	1.7102	0.2289	4.9376	4.0107	0.7231	2.7661	0.6768	1.4593	4.0152	0.1110	1.7017	0.2716	0.8096	0.8355	0.3183	0.2964	0.4872	2.8341	2.0479	0.2981	0.0599	0.9042	0.9578	0.2973	1.0220	1.8413	3.7189	4.8452	1.3098	4.7203	1.1329	0.8608	0.9545	0.6038	0.1216	2.0684
4-cholesten-3-one	Cholestenone	1.2679	0.5847	0.8580	1.0111	0.9562	0.8428	0.6954	0.8963	0.9150	1.2563	1.0179	1.4425	0.7939	1.0365	1.1165	1.0162	0.8052	0.9551	0.8137	1.1328	1.0610	0.7977	0.6889	0.6776	0.9705	1.0542	0.8634	1.3678	1.1543	1.0621	1.5147	1.1307	0.8562	0.8206	0.6471	1.0213	1.1378	0.7477	0.6588	1.2613	1.1421	1.0894	0.9943	0.8768	0.9959	1.0895	0.9396	0.9017	1.3513	1.0063	1.3260	0.8178	1.0981	0.7698	0.7449	2.1830	1.0180	1.2996	1.3093	1.3998	0.6872	0.5402	1.0715	1.6817	0.8096	1.1334	0.7975	1	0.9907	0.8747	1.5374	0.8678	0.9296	1.0274	1.0355
4-ethylphenylsulfate	4-Ethylphenol	0.1381	13.2687	31.0945	1.6422	0.4734	0.2324	0.4416	1.5269	0.3889	1.5853	0.1169	0.1022	0.0234	0.7226	1.1276	3.0606	0.7293	1.4911	0.7090	1.4969	5.6011	1	0.9234	0.5378	0.2545	0.3190	3.4390	0.1541	1.0631	1.4402	0.2949	0.1187	0.0297	0.1873	0.3580	13.6141	0.3137	4.5763	0.5391	1.4815	2.4570	1.0701	0.1468	6.2071	0.1884	0.8533	9.6243	1.2513	0.2743	84.1880	1.6712	1.4714	0.6570	0.5557	0.3609	34.8342	0.2172	1.2461	7.0387	0.5415	0.3640	0.5176	1.7781	6.0664	0.8628	8.0103	5.6309	0.9148	1.3603	1.2244	4.3932	8.2276	5.9210	2.5830	0.8624
4-guanidinobutanoate	4-Guanidinobutanoic acid	0.7330	0.7549	1.0030	0.5075	0.4887	0.6600	1.1541	0.9663	1.2250	1.9137	0.9511	0.9202	0.8680	0.6395	0.5536	1.1353	0.8832	0.7649	1.0862	1.0494	1.5090	0.5929	0.8506	0.3235	0.5813	0.6436	0.7397	1.5006	0.6312	0.4433	0.7689	0.4709	1.4293	0.2862	1.2133	1.6812	0.5942	1.1308	0.6629	1.1811	0.4622	0.6480	1.0544	0.8321	1.1982	0.6365	2.1579	1.7949	0.9917	1.8766	2.5290	1.0874	1.5166	1.5834	1.1587	1	0.8493	1.0015	1.3391	1.8205	1.0378	0.8944	1.3658	2.6691	3.3991	2.2906	2.8128	0.7663	0.7324	3.3599	0.4739	1.7698	0.9385	1.0236	1.1383
4-hydroxy-2-oxoglutaric acid	4-Hydroxy-2-oxoglutaric acid	1.0326	2.1266	1.7718	0.4405	0.5779	0.9780	1.2820	1.2015	1.5088	1.0457	0.9112	0.8122	0.9926	0.6735	0.6457	0.6007	0.9138	1.6216	1.8109	1.1420	1.2759	0.7318	1.0629	0.8393	0.6535	0.9739	0.5358	2.2432	2.1486	0.7367	1.4204	0.8156	1.2876	0.5510	0.8058	1.6480	1.4453	1.2633	0.5375	1.4935	1.3980	1.2054	1.4387	1.7654	1.0432	1.4631	0.9113	0.9866	1.2485	0.8868	0.9428	0.9533	0.8051	1.1498	0.6583	1.2662	0.8602	1.1912	0.8276	0.6619	1.2294	1.3019	0.7952	0.9101	1.0937	1.3282	0.7796	0.9748	0.8602	0.5241	1.0173	1	1.2255	0.7660	1.2510
4-hydroxychlorothalonil	4-Hydroxychlorothalonil	1.0716	1.0768	1.4577	0.9129	1.1495	0.5949	0.7720	1.1179	1.5906	1.9120	0.4615	0.8337	0.5238	1.1653	0.4333	1.2797	1.2163	0.9149	0.8817	1.2994	1.9043	1.0517	2.6455	0.7415	0.6186	0.5567	0.7341	1.4633	1.7290	1.1750	2.1009	0.3354	1.6625	1.2724	1.7084	0.4832	1.5484	1.2642	0.6907	1.1935	0.4559	0.6696	1.0693	1.3835	0.7477	0.5385	1.4264	0.7842	0.7357	0.4267	0.8479	1.3079	1	0.9779	0.3213	0.8313	0.4426	1.0130	0.8453	0.6083	0.4616	0.7493	0.9749	0.8217	1.6084	1.6537	1.0714	1.2547	2.0594	1.2041	1.1261	1.2064	0.4512	0.5877	0.9658
4-hydroxycoumarin	4-Hydroxycoumarin	0.2610	1.8742	1.1017	0.3243	2.7219	0.2610	0.2610	0.4071	1.7595	5.7009	0.9023	0.2610	0.2610	2.9276	0.2610	2.8192	0.9929	2.1017	0.3044	0.3277	2.2751	0.5338	2.0145	2.2390	0.4261	1.0071	0.6557	0.4386	0.7874	0.3136	0.2610	0.2610	0.2610	0.2610	0.2861	5.0661	0.7157	1.6969	0.2610	2.9119	0.5365	0.3402	1.7260	1.1520	0.2610	4.5989	1.1455	5.9810	0.3791	2.6168	0.3088	0.6439	0.5134	0.2610	0.2610	0.8098	0.2610	0.2610	0.4093	0.2610	0.2996	0.2610	0.2610	0.9522	2.4523	0.2610	5.5900	1.5307	0.5334	1.1496	0.2610	0.2610	0.7279	1.1851	2.5417
4-hydroxyglutamate	Erythro-4-hydroxy-glutamic acid	0.4780	0.2652	0.2684	0.6289	0.2652	1.6546	1.3534	0.2652	0.5445	0.5218	0.2652	1.2096	0.6103	0.4521	1.7976	0.7055	0.9935	0.2652	1.6884	0.9101	0.2652	1.6702	0.3499	2.2332	1.3021	1.5954	1.0900	1.5393	0.3223	0.9032	1.4704	0.5948	0.3265	1.4198	0.4374	1.0345	0.7276	1.0575	0.2652	0.2652	0.8112	0.5658	1.1730	0.6109	0.8088	0.7104	1.2828	2.3713	1.0167	0.2652	0.4817	0.2652	0.2652	0.4650	1.8793	1.3833	0.6033	1.2416	6.2394	1.5606	1.7079	1.1628	0.9538	0.7732	0.9166	0.2652	1.5765	0.8100	0.8900	2.5637	1.9601	0.8472	1.0065	1.8815	2.8190
4-hydroxyhippurate	4-Hydroxyhippuric acid	0.9277	0.4086	2.3072	0.9525	0.5156	2.7287	2.7586	2.0535	1.0158	3.1856	1.6956	2.4060	1.6227	0.6105	0.7231	2.0221	0.7797	0.6630	0.6122	0.9284	1.4677	0.8018	0.7187	0.6795	0.8350	0.4232	1	2.2716	0.5014	0.7765	0.8978	2.9631	1.0114	0.1320	1.1504	2.3340	0.7108	1.5715	0.8811	0.7136	0.1227	1.0258	1.5500	2.9106	1.9379	2.0164	1.2256	1.3959	0.8257	0.9943	0.7859	1.1203	0.7015	0.6761	4.2059	3.1512	0.1801	1.4006	4.3643	0.4994	0.5164	1.0504	1.4005	0.7929	3.4730	3.7366	8.2217	0.9036	0.6203	3.5837	1.1291	3.8202	0.6517	0.4556	0.4938
4-hydroxyphenylacetylglutamine	4-Hydroxyphenylacetylglutamine	0.4501	0.6199	1.1761	0.3588	0.3994	0.3588	1.1817	0.3588	0.4985	2.7995	1.4752	2.2628	1.5197	0.3588	0.9272	1.1158	0.3791	1.3398	1.2775	1.5125	1.3890	0.6646	1.3039	0.4882	0.3588	0.3809	0.3588	0.6847	1	0.3588	0.7292	0.3588	0.3588	0.3588	0.6197	3.1111	1.0658	1.1921	0.9281	0.5624	0.3588	0.7061	0.4900	1.9428	1.7763	1.4311	1.7494	1.4900	1.0864	0.7790	2.2062	0.9945	0.5809	0.3588	0.9639	4.3997	0.4844	0.5458	3.7008	0.3588	0.8593	0.3588	1.3552	1.7994	0.8955	0.7047	4.7286	1.3787	0.3588	1.2099	0.8122	0.5790	0.5726	1.0044	0.9677
4-hydroxyphenylpyruvate	4-Hydroxyphenylpyruvic acid	0.5872	0.6434	0.5426	1.3262	0.7406	0.9818	1.1603	0.5523	0.6787	1.3361	1.8712	1.6136	0.8318	0.6207	0.8221	2.0759	0.6940	1.2292	0.9974	1.0608	0.8589	0.7941	0.5632	1.3505	0.4644	0.6550	0.8352	1.3057	1.0108	1.8104	1.3812	0.9941	0.5517	0.5072	0.7835	0.9041	0.6842	1.1013	2.0066	0.7460	0.9824	1.2077	0.7289	1.3632	0.9671	0.6880	1.0531	1.8824	0.9806	0.6810	0.7737	1.2236	0.9911	0.4622	1.4740	2.1148	0.8952	1.0201	2.1539	1.8276	1.0433	1.3798	1.1577	1.4132	1.1034	1.3079	1.7747	1.0388	0.7948	1.9964	1.9595	0.7614	1	1.0334	1.7277
4-imidazoleacetate	Imidazoleacetic acid	1.1683	1.0557	1.5382	1.2632	1.3631	1.0419	0.9343	0.3923	0.1747	1.3310	0.4468	1.4053	0.1747	0.2802	0.1747	0.1747	1.0523	0.4711	3.1129	0.8866	0.9075	1.7181	1.0424	0.1747	0.1747	0.1747	0.1747	0.6844	0.1747	0.7280	1.1123	0.1806	0.1747	0.1747	0.5560	0.1747	1.9548	0.1747	1.7143	1.1023	1.7673	0.8550	0.1747	1.5297	1.7543	0.7973	1.0206	0.8464	1.2181	0.1747	0.2698	0.5774	0.1747	0.8342	0.9794	1.0475	0.1747	0.6368	0.1747	0.8476	1.2826	0.7022	1.0476	1.7128	1.2286	1.9831	0.6091	0.6170	0.6761	0.1747	0.1747	1.7320	0.3625	0.9336	0.9619
4-methyl-2-oxopentanoate	Ketoleucine	0.6040	0.7887	0.7862	0.8844	0.8500	0.8228	0.8301	0.9666	1	0.8924	0.5679	0.6013	1.3951	0.8096	0.9237	1.2341	0.4931	1.0208	0.5710	0.9853	0.6654	1.4075	0.7205	0.8446	1.1125	0.7768	0.9117	1.3086	1.0232	1.0036	0.8632	0.7669	0.7683	1.1549	1.0143	0.9458	0.9150	0.9036	0.8435	1.2351	0.8351	0.8643	0.6525	0.9238	1.3238	1.1003	1.1539	1.1685	1.0546	1.0683	1.3079	1.1985	1.0851	1.3045	1.3374	1.4095	1.2513	0.8520	0.8419	1.6414	0.8768	1.2335	1.4584	1.2271	0.8277	1.3482	1.3800	1.1752	1.4024	0.9462	1.8316	1.2106	1.2995	1.5392	1.2455
4-methylcatechol sulfate		0.3703	0.5935	0.7304	0.1893	1.0697	1.1840	0.0989	3.0442	0.4917	1.9456	2.9942	0.7179	1.2531	1.3722	0.6885	0.8749	2.3469	6.7070	0.7950	1.1716	1.4057	2.0507	0.6857	0.3570	1	0.4183	3.8572	1.7015	1.1361	2.5485	0.6949	0.5368	1.0009	0.7936	3.8400	1.0566	1.0460	0.9970	0.4614	0.6560	0.3405	2.6005	0.9794	2.3568	0.6508	1.0490	2.3343	1.8304	0.9616	6.0511	0.8526	0.4212	0.9996	0.6865	1.1574	4.7304	0.0130	0.2468	1.5699	1.9314	0.5695	0.8754	0.6640	0.9204	0.9829	1.0124	4.5848	0.7996	0.8607	6.3912	0.1539	1.4790	1.2895	2.4984	1.2774
4-vinylguaiacol sulfate	4-Vinylguaiacol sulfate	0.3061	0.3061	0.3061	0.3061	0.3061	1.3269	0.4395	0.3061	0.3061	25.7517	0.3061	0.5549	0.3061	0.3061	0.3061	1.0009	0.3061	0.3061	0.3061	0.3061	0.6282	0.3061	0.3061	0.3061	0.3061	0.3061	0.5359	0.3061	0.3061	0.3061	0.3061	0.3061	0.3061	0.3061	0.3061	1.9801	0.3061	7.6468	1.0610	0.3061	0.3061	0.3061	0.3061	9.4027	0.3061	0.3061	0.3061	0.4883	0.3061	0.3061	0.3061	0.3061	0.3061	0.3061	0.3061	0.6198	0.3061	1.8302	3.8100	0.3061	0.3061	0.3061	0.3061	0.3061	3.6179	0.3429	13.1952	0.3061	0.3061	0.5702	1	0.5692	0.8628	0.3061	0.3061
4-vinylphenol sulfate	4-Hydroxystyrene	0.1386	0.7901	0.9203	0.6089	0.5933	1.2338	1.2459	0.3723	0.2121	12.4835	0.3000	0.4558	0.1801	2.2187	2.9794	14.6390	0.5815	0.7473	0.5110	0.8960	6.5842	2.5526	4.2366	0.4142	0.1774	0.2875	0.3171	0.9835	0.3080	0.2711	0.6592	0.3907	0.2037	0.1185	0.4056	12.9476	0.2076	3.1483	0.7220	0.2617	1.5812	1.9185	0.4488	2.7337	2.3776	1.1388	0.7985	5.5007	0.5479	2.3294	1.9018	1.6037	1.2827	0.5906	2.4196	5.7113	2.1028	3.4048	24.9336	0.4826	1.0746	0.3411	5.0987	2.3940	1.2663	0.9533	45.2310	1.2463	1.2357	1.2070	2.5784	3.0890	1.4272	0.2863	1
5_6-dihydrothymine	Dihydrothymine	0.8904	0.6288	0.7569	1.2871	0.7808	0.9150	0.9673	0.9968	0.9767	0.9286	1.3173	1.0810	0.9260	0.6949	1.0724	1.0597	1.0175	1.3360	0.7803	0.8629	1.0120	0.8364	0.6656	1.7022	0.6573	1.0557	1.5305	1.2176	0.7569	1.5507	0.8176	0.8502	0.6783	0.6429	1.0154	1.1847	0.8591	0.8730	1.1318	0.9431	0.9906	0.8680	1.0608	1.1936	1.0081	1.4619	0.9427	0.7946	1.1092	0.6877	1.0979	0.9915	1.5681	1.1187	1.5637	1	0.8040	1.1167	1.0317	1.2668	1.0032	0.9295	1.1728	1.1028	1.0950	1.2035	0.9361	1.1771	1.3484	0.9503	1.0598	0.7871	0.8751	0.9504	1.6856
5-acetylamino-6-amino-3-methyluracil	5-Acetylamino-6-amino-3-methyluracil	0.3215	1.2301	0.7180	0.2109	0.5499	0.7431	0.0658	0.0658	0.2083	14.8732	3.5895	0.1753	1.6651	0.8365	1.7977	3.8444	0.5921	1.0010	0.5474	2.1813	9.0886	0.1932	6.9465	2.0389	1.1060	0.2997	0.2831	2.2636	0.0983	2.7578	0.0777	0.6033	0.0913	0.3839	4.7504	0.8684	0.8488	2.3300	1.9674	4.4479	0.0658	0.4169	0.0833	0.2361	0.7205	1.2905	2.9848	0.0658	0.5261	0.0658	0.0658	0.0658	3.8996	0.7659	6.0720	4.9531	6.4553	8.1453	1.4761	0.0658	0.1024	0.5479	1.7420	1.2790	10.1115	0.7883	3.6204	5.0066	1	6.5857	7.5078	0.2398	0.0658	0.5519	0.3798
5-acetylamino-6-formylamino-3-methyluracil	5-Acetylamino-6-formylamino-3-methyluracil	0.5249	0.8067	0.3320	0.2430	0.4891	0.5348	0.2430	0.2430	0.2430	7.9148	2.3456	0.2430	1.4738	0.2430	0.6911	4.4548	0.3366	1.1560	0.2430	1.4788	6.4832	0.2430	6.6421	2.8058	0.9350	0.5814	0.2430	0.9522	0.2430	2.2048	0.2430	0.8552	0.2430	0.2430	9.2090	0.7990	0.5287	1.9565	0.6714	4.5052	0.2430	0.5281	0.2430	0.3407	0.4214	0.5827	1.8054	0.2430	0.5812	0.2430	0.2430	0.2430	2.3798	0.7340	4.2151	1.3978	3.8074	3.0163	1.9764	0.2430	0.2430	0.8803	0.5451	1	4.3713	0.3547	1.2704	6.2381	1.8445	3.3397	8.3170	0.2586	0.2430	0.5635	0.2430
5alpha-androstan-3alpha_17alpha-diol monosulfate		0.7816	0.7121	0.4112	0.4112	0.9892	0.6577	0.4771	2.3449	0.4112	0.4747	0.4112	0.4112	1.5594	0.7998	0.4112	0.4112	0.5500	0.5331	0.4112	1.2563	0.6812	1.1296	0.9514	0.6087	0.4112	0.4112	0.4112	0.8183	0.4112	0.6350	0.9127	0.4112	0.7554	2.2858	1.4215	0.5159	0.4112	0.5550	0.4112	0.4112	1.0511	0.4112	1.0081	0.4112	2.0657	1.5756	1.6859	3.5641	0.4112	1.4954	1.0857	0.9919	0.8642	1.9235	0.6618	1.0221	2.2443	0.4112	0.4112	0.4112	0.4112	1.6336	0.7104	0.4112	1.1032	1.3310	0.4112	3.4139	6.2577	1.9868	0.4112	0.6850	2.1183	0.6811	1.8174
5alpha-androstan-3alpha_ 17beta-diol 17-glucosiduronate		0.1687	0.1687	0.1687	0.1687	0.1687	0.1687	0.9957	0.1687	0.1687	0.1687	0.1687	0.1687	1.3296	0.1687	0.1687	0.1687	0.7716	0.1687	0.1687	0.1687	0.1687	0.1687	0.1687	0.1687	0.1687	0.1687	0.1687	0.4736	0.1687	0.8277	0.5866	0.1687	0.1687	0.1687	0.1687	0.1687	0.1687	0.1687	0.1687	0.1687	0.1687	0.1687	0.1687	0.1687	0.8363	0.9020	1.7708	2.0495	3.4050	1.8026	1.7167	1.0178	0.1687	0.1687	1.0754	0.6981	1.0239	1.0568	1.0043	1.4971	0.8476	1.3736	0.1687	1.1956	0.1687	2.0359	0.1687	0.8056	0.4670	1.4427	0.2647	0.8742	0.9897	0.1687	0.8062
5alpha-androstan-3alpha_17beta-diol disulfate	5alpha-Androstan-3alpha,17beta-diol disulfate	2.8267	0.0651	1.0081	0.2855	0.2242	0.9978	0.7693	0.6047	0.2306	0.0651	0.0651	0.0786	1.1168	0.3486	0.0651	0.0651	0.3451	0.0651	0.2515	0.7325	0.0651	0.6831	0.7254	1.0022	0.2551	0.3709	0.0651	0.4818	0.1335	0.0651	0.0651	0.3118	0.5452	0.6523	1.3765	0.0651	0.0651	0.9913	1.3710	0.8702	1.2170	0.1218	0.5468	0.2727	2.8907	5.8208	3.5551	2.9140	1.6764	2.7622	1.4936	1.0459	0.0651	4.4536	1.9291	0.3642	1.6364	0.9879	0.9042	1.1576	0.7954	2.0151	1.3543	0.0651	1.6359	1.7621	1.0431	2.8418	2.3628	1.9043	0.3959	2.0034	4.8735	1.6369	3.1785
5alpha-androstan-3alpha_17beta-diol monosulfate (1)		1	0.4811	1.3281	0.2728	1.2836	1.4528	1.8179	1.6330	0.4075	0.2098	0.2352	0.5029	3.2398	0.6219	0.3440	0.4750	0.8310	0.7187	1.2674	0.6565	1.1096	1.0925	0.9477	0.4717	0.4976	0.1236	0.8173	2.0108	0.1917	1.2620	2.9197	0.4489	1.2111	1.0552	1.8696	0.5643	0.3803	0.3065	0.4076	0.7272	1.4168	0.0671	0.9741	0.5793	4.0518	1.0598	1.7834	5.0987	0.7679	1.6606	2.3636	0.8888	0.4102	2.0595	0.5266	1.3102	1.9779	1.6122	1.1325	0.7090	0.2210	2.1446	1.0737	1.0728	0.8660	2.0235	1.0695	2.6111	1.9151	3.4073	0.4871	0.6705	1.5427	0.4520	1.9116
5alpha-androstan-3alpha_17beta-diol monosulfate (2)		0.4194	0.0651	0.5160	0.1723	0.0651	0.4744	0.3346	0.0651	0.1585	0.0651	0.0651	0.0651	0.5693	0.0651	0.0651	0.0651	0.0651	0.0651	0.0651	0.3317	0.0651	0.0651	0.0651	0.2812	0.0651	0.0651	0.0651	0.4396	0.0651	0.0651	0.0651	0.0651	0.0651	0.0651	0.8371	0.0651	0.0651	0.8311	0.6793	0.4618	0.5895	0.0651	0.0651	0.0651	3.1326	11.8922	5.0138	2.4678	4.0521	2.7940	1.6316	1.5076	0.0651	6.1665	2.7525	0.6574	2.4458	2.9723	0.2454	0.5980	0.7546	0.7187	1.1080	1.2469	0.8920	1.8101	1.8007	4.5889	4.5087	1.8140	0.1944	2.5604	4.0868	1.2783	7.5813
5alpha-androstan-3beta_17alpha-diol disulfate	5alpha-Androstan-3beta,17alpha-diol disulfate	0.7968	1	0.0701	0.3046	1.0149	1.2369	0.8026	1.5180	0.4919	0.5217	0.0701	0.2573	1.4552	0.1851	0.3494	1.4591	3.0027	1.3638	0.3308	0.5510	2.7525	0.2929	1.2500	0.3340	0.4157	0.6871	1.5671	0.5007	0.2502	0.5444	4.2578	0.5336	0.6716	0.9911	1.1706	0.2804	1.4875	0.3749	0.1039	0.7015	3.0853	0.0701	0.4344	2.2225	1.7455	2.0170	2.9015	3.2500	1.0497	1.5359	1.3945	2.6693	4.0755	0.8789	0.5224	0.6285	1.5366	1	0.5390	0.9076	0.6789	1.0370	1.2805	1.7376	0.7682	1.6327	1.7163	4.2894	1.9545	1.7181	0.4779	0.7745	3.7542	1.0241	1.8441
5alpha-androstan-3beta_17beta-diol disulfate		1.2432	0.9743	1.6664	0.3199	0.6696	1.6009	1	1.3750	0.5407	0.2274	0.2205	0.3299	1.7469	0.7566	0.3135	0.6941	0.2654	0.7754	0.5296	1.0595	1.0240	0.6822	1.3829	0.5269	0.5050	0.1692	0.3222	1.1086	0.1334	0.9421	2.4463	0.4849	0.9025	0.8915	2.7713	0.3794	1.0996	0.7742	1.2334	1.3414	1.3089	0.1838	0.9800	0.2187	2.0584	2.3271	1.5649	2.4553	0.8709	1.4733	2.5032	1.4842	1.2894	1.7129	0.9860	0.9133	1.7300	1.1411	0.5341	3.5717	0.3436	1.4753	0.9577	2.1112	0.9531	1.7590	1.3003	2.8518	1.8979	1.3773	0.8853	1.2015	1.1918	0.4269	2.6338
5alpha-androstan-3beta_17beta-diol monosulfate (2)		0.5846	0.4918	0.9852	0.1884	1.2569	1.4760	2.0904	1.3247	0.6165	0.2182	0.1817	0.3148	4.3412	0.8560	0.2889	0.9588	0.6972	0.7563	1.0148	0.7256	1.6373	1.1752	1.3164	0.2804	0.3484	0.2090	0.6975	1.9576	0.1817	1.2033	2.7509	0.6336	1.0586	0.8816	2.0474	0.3593	0.6503	0.2096	0.3771	0.8947	1.1244	0.1817	0.8418	0.6193	3.5862	0.8397	1.3519	4.1724	0.6409	1.4009	3.6492	1.2028	0.6661	1.4815	0.6167	1.3620	1.7059	1.7006	0.7222	1.2641	0.2084	1.9174	1.1846	1.5280	0.7055	2.5476	1.6610	3.8546	2.4971	2.9866	0.5805	0.8493	1.5388	0.1817	2.9364
5alpha-pregnan-3(alpha or beta)_20beta-diol disulfate		1.3975	1.8180	1.5910	0.2990	9.8642	2.1754	1.8340	1.1216	0.3494	0.1275	0.7863	0.2213	4.9663	0.5699	4.2811	0.6415	1.9938	7.0153	4.3103	1.6121	8.1924	0.3594	8.8694	20.5640	0.6543	30.5180	0.3523	2.2611	0.5291	0.5203	3.5644	0.9125	3.7704	1.1530	0.7900	0.6381	0.3675	0.2987	10.3576	1.5575	7.2797	0.3866	1.2079	1.8827	0.7886	0.8750	0.9299	1.5223	1.4319	1.0683	0.3945	0.9603	0.1275	1.1736	0.3722	0.1275	0.5908	0.2125	1.0813	0.9551	0.6486	1.0516	2.1269	0.1432	0.7275	0.9957	0.1730	0.5372	1.5396	0.9100	0.1275	0.6824	2.1574	0.2759	1.0043
5alpha-pregnan-3beta_20alpha-diol disulfate	5alpha-Pregnan-3beta,20alpha-diol disulfate	0.8327	1.5199	0.8104	0.5826	10.4149	1.6119	3.7044	1.1139	0.3994	0.2496	1.6472	0.4402	2.8971	1.3111	4.1106	3.4179	2.1454	6.9836	2.9237	1.2214	10.3728	1.0081	6.8720	8.6518	0.6495	23.2954	1.0206	1.9570	0.6664	0.7568	7.2832	1.0552	1.9270	0.6796	1	0.5493	0.4826	0.2685	6.8443	0.8872	3.6020	0.8086	0.9849	2.4629	0.7939	1.7080	1.0652	1.5356	0.8574	0.8263	0.4725	1.2903	0.5532	0.9436	0.4170	0.1481	0.3827	0.2544	0.9607	0.6347	0.3931	1.1732	1.9437	0.4780	0.8904	0.8633	0.6915	1.0974	1.0426	1.1016	0.1932	0.7433	2.0198	0.8846	0.8174
5alpha-pregnan-3beta_20alpha-diol monosulfate (2)		0.4792	0.6216	0.5340	0.4982	26.3568	1.3480	3.2108	0.9859	1	0.6864	1.6992	0.4907	3.5406	0.8219	5.6285	1.9787	2.9499	14.0091	4.6564	0.9447	19.6064	1.1994	7.9583	6.0289	0.4273	37.9977	1.6222	3.6889	0.7380	1.2097	6.7320	0.7909	1.8568	0.5929	0.6535	0.6824	0.5246	0.3969	5.9018	0.7277	4.0779	1.0139	0.5861	1.9642	0.7821	2.1465	1.1149	1.6766	1.2960	0.7071	0.5191	1.5150	0.8279	0.7329	0.4299	0.3213	0.3557	0.7006	0.6091	0.2880	0.3375	0.6130	2.4697	0.2306	0.5024	1.0100	1.0580	1.4015	1.3167	1.0592	0.1842	0.8458	2.0027	0.8652	1.4498
5alpha-pregnan-3beta_20beta-diol monosulfate (1)		0.8850	1.0893	1.1010	0.5578	22.8094	2.0670	2.0124	1.7679	0.6545	0.3799	0.8904	0.3436	3.9875	0.5594	5.5999	0.5077	2.4206	10.2017	4.8215	1.2816	10.5758	0.8694	7.5063	8.8595	0.4314	24.3255	0.8058	3.7942	0.8650	1.0780	3.5498	0.9921	3.1563	1.0079	0.8791	0.8550	0.6169	0.5423	5.5320	1.2885	4.3367	0.7526	0.8326	1.6825	1.1246	1.2234	0.9757	1.4985	2.1629	0.6346	0.4585	1.1003	0.3168	1.1658	0.5274	0.1860	0.7849	0.5241	0.7901	0.4778	0.5750	0.7874	2.0986	0.1161	0.5669	0.9279	0.4670	1.6593	2.8758	0.8798	0.1161	1.0528	1.8221	0.5737	1.6265
5-bromotryptophan	5-Bromo-tryptophan	1.2276	1.2764	0.9199	1	0.6775	0.4532	0.9170	0.8852	1.1095	0.6173	0.7220	1.0555	1.1182	1.0969	0.7227	1.3084	0.8459	0.8128	0.7710	1.3392	0.9491	1.0710	1.1044	0.9005	1.0517	0.5499	0.5998	1.0776	1.0632	1.0130	1.0312	1.0955	1.0107	0.6465	0.7884	0.7191	0.8415	0.8568	0.6799	0.6368	0.8764	1.0151	1.0627	0.8511	1.0877	1.1942	1.0701	1.5596	2.0367	1.2854	0.7676	1.1537	0.8540	0.7579	0.7251	0.6633	1.0174	1.2879	1.0095	0.8192	0.7583	1.2646	1.2975	1.1849	0.9335	0.8027	0.7475	1.0794	0.9062	1.0436	0.9063	0.9011	1.4940	1.4964	1.3459
5-dodecenoate (12:1n7)	5-Dodecenoic acid	1.5038	2.0087	1.0295	1.1105	1.7245	0.8859	1.1447	1.7735	2.0669	1.4038	1.0418	1.3343	2.1120	1.7983	0.9624	2.0659	1.5290	1.8657	0.6123	1.5847	2.1578	1.2531	1.2682	1.2251	1.3524	1.7351	0.5123	0.5157	0.9990	2.6712	0.9021	1.9283	0.7995	1.4105	4.1049	0.8333	0.7712	0.4794	2.3033	1.3338	0.7804	1.1571	4.0077	0.8423	1.1871	0.8013	0.8762	0.3673	1.0038	0.8757	0.7782	1.1444	1	0.7209	0.9679	0.6888	0.9451	0.9687	1.5410	1.3347	0.4470	0.7946	0.8378	0.5019	0.3761	0.6146	0.4332	0.7784	0.5617	0.4170	0.5702	0.3953	0.6630	1.1447	0.8148
5-(galactosylhydroxy)-L-lysine	5-(Galactosylhydroxy)-lysine	1.0907	1.2747	1.0878	1.1120	0.8962	0.9247	0.9449	0.8796	1.4346	1.1072	1.8111	0.9034	1.2461	0.4012	1.6196	0.5642	0.8093	0.8725	0.8408	1.2733	1.0985	0.6622	0.7626	1.4571	0.8650	0.6864	0.7463	1.1447	0.9953	0.9131	1.0720	0.6060	0.9194	0.5186	1.0006	0.8974	0.7791	1.0337	1.0963	0.6391	0.7284	1.5632	0.7226	0.7076	1.1148	1.1788	1.4560	1.3679	1	0.8883	1.3275	1.1758	0.9954	1.1674	1.2392	1.3104	0.8215	1.0617	1.7966	1.5872	1.0343	0.6762	1.4457	1.0544	0.9684	0.8398	0.8089	0.9791	0.6352	1.3710	1.0353	1.0676	0.9474	0.9303	1.1001
5-hydroxyhexanoate	5-Hydroxycaproic acid	0.1987	0.2660	0.1987	0.4776	2.1730	0.1987	0.7262	0.1987	0.1987	1.9424	1.6079	0.1987	0.1987	0.1987	0.1987	0.1987	0.9571	1.8311	0.3931	0.7442	1.5435	0.5726	0.1987	0.6097	0.1987	0.1987	0.7454	0.9982	0.8452	0.1987	1.0951	0.1987	0.1987	1.5413	1.6042	0.1987	1.0952	2.0464	0.1987	0.1987	1.5622	0.9569	0.1987	1.9627	0.1987	2.3201	1.1653	1.0483	0.1987	0.1987	0.1987	1	1.8282	0.1987	0.1987	0.1987	0.2430	0.7459	0.6804	0.1987	0.1987	0.1987	0.5894	0.5353	1.0498	0.1987	0.1987	0.1987	1.0010	1.0488	0.1987	0.1987	0.1987	0.1987	0.4136
5-hydroxyindoleacetate	5-Hydroxyindoleacetic acid	0.4290	1.1297	0.8710	0.4290	0.5579	1.3777	1.3962	0.4290	1.1809	2.3234	1.4035	0.6452	0.4290	0.6233	0.8657	0.8834	0.4290	0.6451	1.2315	1.5351	1.5646	0.9532	0.4290	0.4290	0.4290	0.8064	0.4290	0.6181	1.5640	0.4290	1.0243	0.7233	0.8634	0.8176	0.4290	0.8373	0.8268	1.1463	1.1573	0.6249	0.4290	0.8076	0.9757	0.4290	1.3017	0.4290	0.6381	1.0828	0.8379	1.5162	1.2415	0.8981	0.6514	0.8220	0.4290	0.9314	1.1457	1.1921	1.0561	1.5776	0.4290	1.0476	0.9518	0.9601	1.6166	1.1372	1.9065	0.9133	1.0475	1.0903	1.2797	0.8351	1.0804	1.1496	0.6276
5-hydroxylysine	5-Hydroxylysine	1.1096	0.7841	1.1863	0.6997	1.0916	0.6970	1.1438	0.7825	0.8954	0.9649	1.1092	1.5408	1.2214	0.5001	1.3863	0.5777	1.0612	1.0216	0.7141	0.8865	0.7764	0.6018	1.0136	1.0782	0.9009	0.9718	0.6885	1.7769	1.1852	1.0933	1.7018	0.7030	0.7940	0.4648	0.8881	0.6043	0.7072	0.8527	0.6936	0.9446	1.0249	2.3138	0.8650	1.1455	1.0786	0.8614	1.1671	1.2171	1.0272	0.8216	1.1444	1.2309	0.8522	1.0460	1.3794	1.2074	1.4040	0.8397	0.9377	0.9829	0.6284	0.6773	1.2062	1.7836	0.9331	1.6151	0.5729	1.1321	0.7741	1.2243	1	0.8291	1.0833	2.1200	1.1012
5-methylthioadenosine (MTA)	5'-Methylthioadenosine	1.1029	1.1086	0.9698	0.9327	1.0672	0.9944	1.2390	0.7628	1.3106	1.3338	1.1197	1.0415	0.8749	0.4330	0.6255	0.7635	0.6951	0.9639	0.8243	0.9586	0.7550	0.6893	1.0796	0.8084	0.7010	0.6356	1.0237	1.5318	0.6731	1.1717	0.9989	0.6469	0.9380	0.8216	0.9852	0.6554	1.0235	1.2296	0.9453	0.9062	1	0.9022	0.8153	0.7601	1.2359	1.1401	1.1712	1.5074	1.2216	1.2090	1.2357	1.1862	1.4717	1.2985	0.8802	1.6945	1.0962	0.4763	1.3129	1.2770	0.9961	0.9686	0.9635	0.9485	1.0190	1.1152	1.3920	0.9532	0.9191	1.2058	1.2476	1.2435	1.1694	1.0329	1.3952
5-methyluridine (ribothymidine)	Ribothymidine	0.7914	1.1983	0.8842	0.9277	0.8646	1.1197	1.0332	0.7343	0.8929	1.0850	1.0796	0.9123	0.9057	0.8179	1.0483	1.1439	0.8951	1.0716	0.9425	1.0599	0.9784	0.8616	0.9458	0.6125	1.0962	0.7236	0.9361	1.2230	0.8702	0.8421	0.9166	0.9447	0.9731	0.6553	1.1231	1.1679	0.7332	0.6782	0.9847	1.1109	0.6465	1.1641	0.8745	0.9942	1.2002	1.1204	0.9728	1.1878	1.1742	1.0878	1	1.1129	0.9866	1.1473	0.9150	1.0079	1.0769	0.9946	1.0720	0.9242	0.8470	1.1025	1.0937	1.0997	1.0586	1.1751	1.1067	1.1444	0.8759	1.2141	0.8508	1.0058	1.1355	1.1605	1.4304
5-oxoproline	Pyroglutamic acid	0.7977	1.1441	1.1625	0.7855	0.9239	0.7781	0.8350	0.9775	1.0604	0.8311	0.8461	0.8789	1.1010	1.0050	1.0639	0.7297	1.0544	1.2793	0.9077	1.2421	0.9976	0.8426	0.9410	0.9696	0.7811	0.8110	0.8247	0.9371	1.0696	0.9833	1.1173	0.8684	1.1200	0.7965	0.8343	1.0980	0.8508	0.8808	0.9236	1.1914	0.7083	1.0551	1.1080	0.9992	1.0799	1.3444	0.9258	1.0742	1.1018	1.3649	0.9560	1.0640	1.2808	1.6076	1.2779	0.8644	0.9307	1.6469	0.8422	0.9926	1.0213	0.9972	1.1937	1.1729	1.2191	1.0812	1	1.0495	1.1570	1.3143	0.6478	1.2388	1.1323	0.9688	1.2069
6-hydroxyindole sulfate	6-Hydroxyindole sulfate	0.6807	1.4888	0.8693	0.7114	1.0171	1.6061	0.6792	0.1909	0.5188	1.3710	1.5038	1.6731	0.2007	1.7651	0.9396	0.7771	0.1997	2.1466	2.1538	1.0585	0.5301	1.6000	1.1823	2.0069	1.1420	0.5381	0.7303	0.1698	0.7618	0.9008	0.4944	0.7874	0.8240	0.6791	0.2713	1.1397	0.4625	0.6377	1.7755	0.6249	1	0.9786	0.3746	4.0121	1.4487	1.4145	1.6763	1.6620	1.1711	1.3075	1.1510	1.4548	0.8780	1.5655	0.5748	1.2384	0.0196	0.1682	2.4445	0.9024	0.7422	0.5394	1.3989	2.3499	0.8132	0.5077	1.4402	2.2079	1.4041	3.1402	0.4961	0.7453	2.2536	1.7290	1.0172
6-oxopiperidine-2-carboxylate	6-oxopiperidine-2-carboxylic acid	0.7306	0.4509	0.5867	1.0554	1	1.9114	1.0605	0.7176	1.0350	0.7762	1.4237	1.4078	0.7438	0.7611	0.8982	1.1474	0.3770	0.8118	1.1961	1.0665	0.8745	1.6665	0.9027	0.7684	0.8316	1.2692	1.5132	0.8771	0.6961	0.8177	0.8458	0.9907	1.5301	1.1945	1.1146	0.5334	0.6065	1.2081	1.1027	1.1199	1.9242	0.6081	0.6290	1.3261	0.4304	1.0508	1.5962	0.9199	0.8988	0.2975	0.5689	0.7471	1.2503	1.1471	1.1879	0.7728	0.6632	1.8754	1.1177	1.1742	1.0458	1.1398	1.1603	1.0529	0.4928	0.4925	1.9914	0.9975	1.3379	0.9049	1.3821	0.7672	1.0756	0.7579	1.1170
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)	7alpha-Hydroxy-3-oxo-4-cholestenoic acid	0.7017	0.6436	1.4324	0.9164	0.8955	0.6660	1.1562	1.2975	1.1556	1.2273	1.0159	0.8465	0.8931	0.8230	0.8247	0.9401	0.7371	0.7209	0.7459	0.9759	1.0040	0.8614	0.8155	1.1342	1.0876	1.0800	0.9846	1.1495	0.9402	1.0774	0.8733	0.7677	0.7615	0.4620	1.1080	1.7561	0.5754	0.6871	0.7408	0.7818	0.9091	0.6969	1.3175	1.0275	1.2070	1.1923	1.2865	1.3886	2.0902	1.5897	1.4313	0.8543	1.4569	1.1589	1	1.8150	1.0826	2.4063	0.8099	0.9604	1.1675	0.9299	1.3902	1.5882	0.9419	1.2021	0.8579	0.8495	0.8597	1.2163	1.4244	1.1481	0.7991	1.0156	1.7116
7-hydroxyindole sulfate		0.4485	0.4485	0.4485	0.4485	0.4485	0.4485	0.4485	0.8559	0.5290	0.4485	0.4485	0.6946	0.4485	0.7454	0.4485	1.0168	0.4485	0.6012	1	0.4485	0.4485	1.5615	0.9214	2.0042	0.4485	0.4485	0.4485	0.4485	0.4485	0.4485	0.4485	0.5380	0.8380	0.4485	0.4485	1.0965	0.4485	0.4485	2.0327	0.4485	0.8698	0.5827	0.4485	1.3893	0.6962	0.4485	0.4485	1.5205	0.4485	0.9227	0.9017	1.2527	1.0506	1.3795	0.4485	0.4485	0.4485	0.4485	0.5023	0.4485	0.4485	0.4485	4.4366	1.3650	0.6756	0.4485	1.1531	1.2745	1.9479	1.6030	0.4485	0.4485	0.8864	1.7808	0.4485
7-ketolithocholate	7-Ketolithocholic acid	2.3532	1.7354	1.6228	0.5662	0.6898	2.4299	1.0233	0.2601	1.0247	1.2837	0.6865	0.4314	0.2601	1.0495	1.3580	1.0324	0.7103	1.6925	5.3255	1.0871	1.2141	1.2060	0.9543	0.8554	0.2601	0.7604	0.7757	0.7917	0.8854	0.4516	1.7809	2.2960	0.6005	0.8788	0.4077	0.8633	3.7548	0.9919	0.7477	0.5705	1.6175	0.5131	2.5345	0.5903	1.4739	0.4613	1.2435	1.7518	0.2601	0.5632	1.2369	1.5351	0.4970	1.4985	0.2601	0.7620	0.2601	0.7231	0.5287	1.4927	0.4104	1.5014	1.2149	0.8887	2.9420	0.2601	0.7629	1.4982	1.1979	0.8942	0.4172	2.0714	1.0081	0.6130	0.2601
7-methylguanine	7-Methylguanine	1.1340	1.0463	1.2988	0.9997	0.9064	0.8937	1.1395	0.8405	1.3673	0.9312	1.1299	0.7446	0.8659	0.7893	1.4291	1.0468	1	0.9918	0.9569	1.1012	1.0590	0.8453	0.8444	0.8051	0.7628	1.0720	0.9043	0.9849	0.9153	1.0559	1.2000	0.6717	0.9253	0.8306	1.7543	1.0241	1.1166	1.1256	1.3397	0.8495	0.7837	0.8209	1.0894	0.8769	1.2303	1.2029	1.0541	0.9536	1.0538	1.1182	1.0556	1.1185	1.0626	1.2001	1.2640	1.1500	0.8577	1.2179	1.3310	1.0451	0.9021	0.8613	1.0369	0.7938	1.2033	1.1258	0.8130	0.9720	0.7990	0.9708	0.8822	0.9111	0.8750	0.9947	1.1430
7-methylurate	7-Methyluric acid	0.4506	1.0357	0.4114	0.1144	0.7846	0.6497	0.1835	0.0120	1.7949	3.8944	2.4264	0.2510	1.6794	4.3770	2.2306	1.8732	0.4607	2.9991	1.2240	0.8203	3.5745	1.7561	1.7481	0.7053	0.2658	0.4683	1.0066	1.5145	0.8853	0.6216	0.2915	0.1181	0.2258	0.0120	1.0022	3.0347	0.3970	2.1574	0.9978	0.8268	0.0120	2.2876	0.1527	0.0751	0.8538	1.2264	1.4693	0.6226	0.0120	1.1064	0.1109	0.2665	1.4193	4.6965	2.6916	3.1256	5.1265	3.8615	0.2916	0.0486	0.5148	0.5255	0.8467	1.5526	28.8826	1.2142	7.1839	0.7665	3.9194	0.0120	1.1410	0.3393	0.0120	0.6737	1.3968
7-methylxanthine	7-Methylxanthine	1.1013	1.0115	0.6526	0.1653	0.3630	0.1860	0.2258	0.1653	1.4614	1.4549	1.1474	0.1653	1.2104	2.8367	1.3047	1.5812	0.3634	2.4450	0.6665	0.8217	2.4020	0.9316	1.2290	0.4386	0.1653	0.9885	0.8537	1.1339	0.8488	0.4053	0.7103	0.1653	0.1653	0.1653	0.8505	1.9510	0.6643	2.3062	0.2787	1.0901	0.1653	2.0182	0.3109	0.1653	1.2058	0.5309	0.5551	0.1653	0.1653	0.6173	0.1653	0.2422	0.6763	3.0350	1.4616	1.5097	2.7371	1.9360	0.1653	0.1653	0.6177	0.2303	0.5824	1.8563	24.6957	1.6762	7.7588	1.3583	5.4009	1.1366	0.7595	0.1653	0.1653	0.6143	0.8482
9_10-DiHOME	9,10-DiHOME	0.8829	0.8289	1.6587	1.2479	1.3051	0.8755	0.6912	1.1583	0.9249	2.2297	1.3910	1.0672	0.7025	0.3859	1.7494	2.8152	0.9256	0.5969	0.3859	1.4440	1.1660	1.0163	0.7928	0.8294	0.9191	0.9677	0.9601	0.8991	1.4042	1.1443	0.6405	1	0.4945	1.1347	1.0556	1.7993	0.7902	2.0157	1.1442	0.3859	0.9341	0.9287	2.3168	1.0150	0.9591	0.3859	0.7599	1.0980	0.5780	1.1378	0.3859	0.6807	1.2825	1.0141	0.7897	1.0102	1.2913	0.8288	0.8956	0.3859	0.5970	0.7441	1.2959	1.0793	59.7391	1.5186	1.8217	0.3859	0.8125	0.7512	0.3965	1.4956	0.6912	1.4031	0.5972
9-hydroxystearate	9-Hydroxy stearic acid	1.4452	1.0020	1.4730	1.5648	1.3977	1.0862	0.9980	0.9041	1.8989	2.5023	0.7760	1.9504	2.5285	1.0433	2.2126	1.9187	1.9681	1.4701	0.4576	1.4349	2.4852	1.0087	1.1504	0.6806	1.2687	1.4698	0.5169	0.6931	1.5897	3.9800	0.9543	1.8946	0.5104	0.7696	4.9107	1.0298	0.7897	1.3313	2.8650	1.3805	0.7656	1.5631	3.6179	1.3441	1.9466	0.5202	0.7741	0.4125	0.8352	0.9067	1.0822	0.8552	0.8270	1.0967	0.7740	0.8162	0.5705	0.6539	0.8713	0.5289	0.6839	0.5000	0.7002	0.4462	1.7586	0.6145	0.1402	0.8215	0.4635	0.3690	0.1402	0.3544	0.5183	1.2013	0.7356
acesulfame	Acesulfame	0.0215	1.6364	0.0215	0.0630	0.3227	0.0215	0.0327	0.0215	0.0215	0.0215	0.0215	0.0968	1.0608	0.0215	5.5532	2.5148	0.0215	0.0215	0.9392	0.0215	0.0215	1.0989	0.1128	2.1292	0.0215	0.0215	3.1757	0.0215	0.0215	4.5138	0.0215	0.0215	0.0215	0.0215	0.0701	0.0215	0.0215	1.5200	0.0215	0.0215	3.4512	0.0215	0.0215	0.5289	0.0215	0.0215	1.2641	0.0215	0.0273	0.0215	0.0215	0.0215	0.0215	0.0215	0.0215	0.0215	0.0215	0.0215	0.5679	0.0215	0.0215	0.0215	0.0537	0.0215	3.4538	0.0215	25.3205	0.0215	0.0986	0.0215	0.0215	0.0252	0.0215	11.1279	0.0215
acetoacetate	Acetoacetic acid	1.0154	1.4091	0.3423	2.1771	2.2207	1.1481	0.7621	0.9602	0.6268	1.0504	0.2338	0.4233	2.0047	2.7303	0.9303	1.1959	0.6969	0.9837	0.3597	1.8146	1.5056	4.0763	4.6045	1.0827	1.2894	1.0645	0.2338	0.3695	0.2338	0.7335	1	3.3358	1.9578	13.3400	2.1511	0.3427	1.3633	0.6609	0.5655	1.4838	0.3267	0.3534	1.1227	0.4423	1.1015	0.5054	1.1808	0.6518	0.8369	0.3976	1.3557	0.7120	1.1615	1.6692	0.8853	0.4320	1.0443	0.4187	1.0286	1.2105	0.3685	0.8724	1.2799	0.4694	0.7423	0.5500	2.6969	1.2404	1.6498	0.4290	0.7631	0.5073	0.3817	1.4330	0.4618
acetylcarnitine (C2)	CAR 2:0	0.8956	0.9033	0.7959	1.0027	1.3017	1.1213	0.7612	1.2344	1.0831	1.3585	0.7297	0.6604	0.8885	1.1414	1.0754	1.3208	1.0163	1.2814	0.8565	1.2693	0.8685	1.3921	1.3491	0.8885	0.9504	1.1029	0.3447	0.8216	0.9971	0.7248	0.9045	1.1209	0.8707	1.5132	0.7025	0.8284	1.0368	0.6571	1.3622	1.0470	0.6661	0.8609	1.1533	1.0611	1.1580	0.9430	1.0360	1.2539	1.2077	0.7930	1.1261	0.9021	1.2669	0.9618	1.3367	0.6423	1.2648	1.0057	1.0822	1.2774	0.5399	1.0554	0.8478	1	0.6696	0.9746	1.0673	0.9377	0.9632	0.6076	0.7465	0.7980	1.2783	1.4516	0.8218
acisoga	Acisoga	0.3071	0.7123	0.4779	0.7229	1.3095	0.8839	1.2835	1.1298	0.5639	1.3750	1.6737	0.6812	1.4539	0.9866	1.5309	0.5678	1.2549	1.6184	0.8231	0.8328	1.3377	1.0398	1.5551	0.4753	1.1002	0.3500	0.7879	2.0599	0.9421	1.2342	1.0175	0.8721	1.7035	0.8217	0.9444	1.2412	0.4359	0.2210	0.9192	2.0367	1.6999	1.8419	1.0490	0.4462	0.5715	1.0021	2.2107	0.9903	0.5516	1.1522	1.8327	0.7049	1.5849	0.8339	0.5211	1.2833	0.2210	0.9979	0.2210	1.9115	0.2210	0.7175	1.6836	0.7620	1.9578	0.9154	1.4439	1.1552	0.6094	0.9719	1.7895	1.1024	0.6926	0.3768	1.2280
aconitate [cis or trans]	cis-Aconitic acid	0.6794	1.1028	1.0391	0.6705	0.8108	0.9571	1.0059	1.0108	1.0924	1.1104	1.1495	0.8123	0.8431	1.0830	1.6713	1.3441	1.0797	1.1938	0.8790	1.3022	1.4452	1.0918	1.0533	1.4212	1.1633	0.9771	0.8377	0.9719	0.7769	0.6472	1.2699	0.8560	0.7982	1.0884	1.5621	1.1529	0.7898	1.0496	1.1720	1.1967	0.6802	0.9759	1.1344	0.8945	0.8812	0.8095	1.0225	0.8908	0.9827	0.9789	0.9769	1.0974	0.8419	1.1925	1.5237	0.9196	0.9119	1.0571	1	1.5146	0.9508	0.8848	0.8129	0.8844	1.0130	0.9433	1.0648	0.7982	1.0091	0.8308	1.2670	0.6933	0.7291	0.6673	1.1074
adenine	Adenine	0.7411	0.9566	0.8581	0.8811	1.3944	0.9596	1.4647	1.0214	1	1.0906	1.3274	0.8107	1.1764	0.7848	1.3407	0.6133	0.7477	0.7345	0.7412	0.4748	0.9544	1.0165	1.1136	1.3385	1.0857	0.9895	1.1693	1.0047	0.7557	0.9394	1.4140	0.6653	1.1681	0.8552	0.7450	1.0129	0.7735	0.9371	0.9062	0.5241	1.2440	0.8565	1.1291	0.7810	0.8461	1.0156	0.9772	1.2948	1.1443	1.4774	1.2396	1.4198	1.0140	1.2297	1.0923	1.5587	0.8540	0.6271	1.1689	1.3650	0.8517	1.0397	1.1470	0.8416	1.0486	0.9419	1.1836	0.7307	1.9332	0.6565	0.7695	1.2065	0.7027	0.8312	1.1348
adenosine	Adenosine	0.9572	0.6930	1.6485	0.9908	1.0553	0.8509	0.9597	0.6534	1.1731	1.0038	1.4669	1.2455	0.9265	0.7599	1.5006	1.1628	1.0784	0.8141	0.8542	1	1.1022	1.2719	0.7685	0.7336	1.2521	1.0739	1.2089	0.5186	1.2373	1.0786	1.3825	0.9019	1.2273	0.7902	0.9095	1.7898	1.1411	1.1736	1.3160	0.7183	1.7601	0.6825	0.7710	1.3333	0.9709	0.9729	1.0487	1.0912	1.0004	1.1207	0.7876	0.7270	0.6208	0.7931	0.9306	1.4788	0.6051	1.5053	1.0711	0.8754	0.7649	0.9450	1.0734	1.0251	1.0745	1.1088	1.0839	0.9337	0.6672	1.0191	0.8196	0.9655	0.9655	0.9064	0.8778
adenosine 3^_5^-cyclic monophosphate (cAMP)	3',5' cyclic AMP	0.9665	1.1198	1.1985	1.1151	0.5706	0.9894	1.0253	1.0186	1.2087	1.1254	1.0532	0.8488	0.8708	0.9944	1.0679	1.2178	0.9408	0.9603	1.2098	1.3095	0.7677	1.2508	0.7821	0.7558	0.8651	1.0771	0.5550	0.7311	1.2137	0.9223	1	1.2375	0.8812	0.5869	0.7020	1.4525	1.0937	0.6285	1.1033	0.8168	0.7763	1.2459	0.9431	1.1168	0.9019	0.9914	1.0011	1.2474	1.1360	1.4138	0.9451	0.8368	1.0225	0.9197	0.8982	0.9829	0.7297	1.3107	1.0177	1.2835	0.7226	1.0478	1.0401	0.8569	0.7980	1.1907	1.2792	0.8116	0.5037	1.1410	0.8910	1.2075	0.9595	1.0283	1.2844
adenosine 5^-monophosphate (AMP)	AMP	0.7374	0.7586	2.8513	0.6176	1.1201	1.4136	1.6036	1.4013	1.0436	0.8338	1.5934	1.5110	1.2621	2.2004	2.9807	1.5952	1.0560	0.9392	0.3774	2.0271	1.3073	1.4540	0.7128	1.9568	1.6810	0.9001	0.6437	0.1190	3.5463	0.8204	3.0986	1.0070	1.4005	0.7924	0.8369	2.2047	0.6131	1.0316	1.5559	0.4688	2.3460	0.7573	1.3974	2.4826	0.5573	1.0436	1.4892	0.9075	1.4131	0.9540	0.4098	1.1330	0.1846	0.4956	1.9233	1.3767	0.6624	3.5926	0.6105	1.2742	0.6447	1.8060	0.7624	0.8719	0.9040	0.9342	0.6361	0.6148	0.5033	0.4836	0.8182	0.5188	1	0.5593	0.6236
adipate	Adipic acid	0.5136	1.2948	0.3758	0.5934	0.9006	1.0214	0.8369	0.5646	0.9160	2.3187	1.7077	0.6360	2.1835	1.6980	1.4021	1.4351	0.5119	1.0232	1.6577	0.8754	0.9543	2.0841	1.0706	1.4252	0.8444	0.6809	1.5331	0.6146	0.3758	0.6378	2.2763	0.9310	0.9580	3.9137	3.1604	1.6480	1.6058	0.6302	1.6564	0.3758	0.3758	0.9892	1.0474	1.5174	1.0648	0.3758	0.9716	0.3758	0.9519	0.8642	0.7158	1.9387	0.4395	0.6827	1.1056	0.4471	0.3758	1.2436	2.4895	1.1264	0.8086	0.3758	0.7937	1.1201	7.2669	0.3758	2.9998	0.3758	0.8487	0.7892	0.3758	0.4946	1	0.4616	2.4214
adipoylcarnitine (C6-DC)	CAR DC5:0	1.1167	2.4382	0.7000	0.4787	0.8964	0.8965	1	0.8482	1.8547	1.8089	0.6497	0.7261	2.7898	1.4549	1.0830	0.5755	0.7739	0.7241	0.8475	1.5721	1.0185	1.2005	0.7440	0.9435	1.4004	1.1647	0.8106	0.6657	0.7039	0.8357	1.5387	0.7349	1.3389	2.1685	2.1713	0.8584	0.7117	0.6350	0.5053	1.2554	0.5234	0.6759	0.9449	1.4937	1.7825	1.9750	1.3036	1.8649	1.5771	1.5715	1.0244	0.8491	0.9093	1.7516	1.1927	0.6525	0.9067	1.7538	2.0526	1.2406	0.8478	0.7166	1.1547	0.5902	2.1003	1.0953	1.1089	1.0010	0.5618	0.8780	0.6776	0.6978	1.2607	0.8802	1.4404
adrenate (22:4n6)	Adrenic acid	1.2484	1	0.8057	0.9232	1.1039	1.1845	1.7667	1.4345	1.1028	0.7322	0.9693	0.8288	1.1835	0.8245	0.8493	0.9619	0.8894	1.4195	0.9220	1.4842	1.0770	1.0740	1.4946	1.8404	1.1200	1.4824	0.7947	0.8634	0.8159	1.1306	2.0756	1.3656	0.8758	1.2715	2.2452	0.7407	0.7288	0.7489	1.0815	1.4038	0.9945	1.3385	1.4974	0.5766	0.9777	0.6739	1.0218	0.7707	0.9824	0.9332	1.0364	1.1737	0.7626	1.3498	1.0635	1.0473	1.9908	0.9889	0.7577	1.2861	1.5162	1.1742	0.5224	0.8204	0.8655	0.5716	0.4237	1.2403	1.5552	0.5913	1.0821	0.7733	0.6261	0.7858	0.7077
adrenoylcarnitine (C22:4)*	CAR 22:4	0.3454	0.7282	0.5998	0.5290	0.5506	1.0891	0.5423	0.8074	1.0345	0.3454	0.7323	0.8554	1.1934	0.6797	1.7650	0.6532	1.0437	2.1927	1.1149	0.7700	1.0936	0.6023	0.9383	1.1049	0.8085	0.6018	0.5335	1.4087	1.0235	0.7938	0.9225	0.7523	1.1797	0.6441	0.9777	0.7424	0.7245	0.5096	1.3111	0.5071	0.7291	0.6205	0.9909	0.7708	1.1140	1.3543	0.9272	3.1661	1.3200	0.9047	1.3337	1.6684	1.3269	3.1536	3.4251	1.0106	0.9312	1.6827	0.9612	2.3402	1.8553	2.2384	0.8326	2.7427	1.5195	1.1738	0.4432	1.5870	1.3672	1.0091	0.7855	1.5708	2.0519	1.0296	1.6078
alanine	Alanine	1.0601	0.9146	0.8765	0.9250	0.7335	0.8750	0.9640	1.0420	1.0730	0.9514	1.3639	1.0147	0.8791	1.0463	0.6284	1.0853	1.0159	0.9242	1	0.9614	0.8616	0.8977	0.8800	0.8865	0.7878	0.8985	1.1697	1.3336	0.9828	1.1832	1.4184	0.6918	0.8208	0.5958	0.9352	1.1215	0.8722	0.9474	0.9783	1.1458	0.9622	1.2019	1.0068	1.2275	0.9783	1.1880	1.0693	1.3095	1.0568	1.1108	0.8876	0.9486	1.0060	1.0366	1.0929	1.2431	0.9931	1.0971	1.0190	1.0478	1.1394	0.8732	0.9378	1.1155	0.9124	1.0958	0.9027	0.9046	0.8100	1.2261	1.2128	1.0697	1.1885	0.8027	1.2856
allantoin	Allantoin	0.6161	1.0824	1.3370	0.8673	0.8452	1.1265	1.2104	1.1173	1.1779	1.1828	0.7986	0.6852	0.9848	1.0467	0.9430	0.7275	0.5930	0.9838	0.8896	1.0807	1.0166	0.9142	0.9097	0.7320	0.6517	0.7759	0.6015	1.1418	0.8851	1.0056	0.9887	0.7653	1.2810	1.0002	0.8689	1.4189	1.0369	0.7855	0.9298	1.1682	1.0810	1.0473	1.1170	1.0794	0.7628	1.2533	1.2470	1.0779	1.2000	0.9515	1.2749	0.9872	1.1250	1.1153	0.9291	0.9038	0.9809	1.0874	0.9174	0.8703	0.7526	1	1.0125	0.9284	1.0542	1.2733	0.7538	0.8376	1.0312	1.0132	0.8138	0.9609	1.0208	1.0969	1.0646
alliin	Alliin	0.0998	0.3137	0.1801	0.0998	0.0998	0.0998	0.5667	1.5946	0.0998	1.2024	0.3896	0.0998	0.1746	7.4239	0.1268	0.0998	1.0109	1.9510	0.0998	3.7446	2.9825	0.0998	0.4601	0.0998	2.1572	0.5135	0.1533	2.5932	0.7244	0.0998	0.0998	0.0998	0.0998	0.0998	0.0998	0.8191	5.0307	0.2058	4.2147	0.0998	0.0998	4.6399	0.0998	0.1719	0.3724	1.5066	1.7229	0.9779	0.0998	0.3996	0.2660	0.0998	7.4456	0.0998	0.0998	0.7584	0.0998	0.8970	0.0998	0.0998	0.5484	0.0998	1.0636	10.4487	2.4834	13.1263	0.0998	0.0998	3.3036	5.6779	1	0.0998	2.6668	0.6824	0.0998
alpha-CEHC	alpha-CEHC	0.5119	0.5119	0.5119	0.5119	0.5119	0.5119	0.5119	0.5119	0.5119	1.6990	0.5119	0.8944	1.1056	0.5119	0.5119	0.5119	0.5119	0.5119	0.5119	0.5119	0.5119	0.5119	0.5119	0.5119	0.5119	0.5119	0.5119	0.5119	0.5119	0.5119	0.5119	0.5119	0.5119	0.5119	0.5119	0.5119	0.5119	0.6713	0.5119	0.5119	0.5119	0.5119	0.5119	0.5119	0.5119	0.5119	0.5119	0.5119	0.5119	0.5119	0.5119	0.5119	0.5119	0.5119	0.5119	0.5119	0.5119	0.5119	0.5119	0.5119	0.5119	0.5119	0.5119	0.5119	0.5119	0.5119	0.5119	0.5119	1.7768	0.5119	0.5119	0.5119	0.5119	0.5119	0.5119
alpha-CEHC glucuronide*		0.3322	0.3322	0.3322	0.3322	0.3322	0.3322	0.3322	0.3322	1.2298	4.0046	0.3322	0.3322	1.0167	0.3322	0.8697	1.0426	0.3322	0.3322	0.3322	0.3322	0.6646	0.3322	0.3322	0.3322	0.3322	0.3322	0.3322	0.3322	0.3322	0.3322	0.3322	0.3322	0.3322	0.3322	0.3322	0.3322	0.3322	1.3546	0.3322	0.3322	0.3322	0.3322	0.3322	0.3322	0.3322	0.3322	0.8567	0.3322	0.3322	0.3322	0.3322	0.3322	0.3322	0.3322	0.3322	0.3322	0.3322	0.3322	0.3322	0.3322	0.3322	0.3322	0.3322	0.3322	0.3322	0.3322	0.3322	0.3322	0.9833	0.3322	0.3322	0.3322	0.3322	0.3322	0.3322
alpha-CEHC sulfate	alpha-CEHC sulfate	0.3989	0.3989	0.3989	0.3989	0.3989	0.7257	0.3989	0.3989	2.1296	4.5014	0.3989	0.3989	2.0010	0.3989	1.1253	1.2405	0.3989	0.6842	0.3989	0.3989	0.3989	0.3989	0.7766	0.3989	0.3989	0.3989	1.2794	0.3989	0.3989	1.4189	0.3989	0.3989	0.3989	0.3989	0.3989	0.3989	0.3989	1.7232	0.3989	0.3989	0.7311	0.3989	0.7461	1.8113	0.8883	0.3989	1.2782	1.4202	0.5050	0.9646	0.9340	0.3989	0.3989	0.3989	0.3989	0.6869	0.3989	1.1035	0.6424	1.0713	0.6133	0.3989	0.5336	0.3989	0.3989	0.3989	0.8479	0.3989	1.5693	0.5659	0.3989	0.3989	1.0354	1.2770	0.3989
alpha-hydroxyisocaproate	2-Hydroxyisocaproic acid	0.4584	0.6339	0.4638	0.7322	0.5788	0.8947	0.7865	1.5915	0.6039	0.8888	0.3239	0.5386	3.4512	0.7294	0.7005	1.2810	0.5963	0.8628	0.5289	1.1662	0.5958	1.1054	0.6682	0.7618	0.7602	0.6774	1.0373	0.9633	0.9174	0.8378	0.7960	0.5908	1.0732	1.3025	1.0267	0.8049	0.5611	0.6351	1.1658	1.6481	0.9901	1.0135	1.2507	0.8785	1.1684	1.1896	1.1883	1.5372	0.8555	1.0539	1.1403	1.2977	1.4068	1.2573	1.7853	1.1124	1.1258	0.8135	1.0654	1.4171	1.2966	1.2124	1.1683	0.9582	0.5590	1.2694	1.8342	1	1.1640	0.9071	2.0061	1.0661	0.9409	1.3917	1.4124
alpha-hydroxyisovalerate	2-Hydroxy-3-methylbutyric acid	0.5414	0.4867	0.7544	0.5450	1.9265	1.8025	0.6159	1.2629	0.8660	0.7088	0.5349	0.5623	1.6761	0.5610	0.8233	1.1262	0.5520	1.2971	0.5048	2.4219	0.5423	0.8960	0.7261	0.6492	0.7071	0.6310	0.7447	1.0384	2.1398	0.7503	1.0060	0.4007	1.1700	1.9391	2.6792	1.1592	1.4192	1	1.2375	2.9189	0.9029	0.8476	0.8960	0.5947	1.1692	1.0241	0.8100	1.1512	0.6392	0.7745	1.6875	1.4826	1.4595	1.4170	0.8666	0.9240	0.7738	0.7555	0.5679	3.0020	1.8820	1.1686	1.1185	0.7579	1.0851	1.0553	2.6616	1.2857	2.4535	0.9204	2.5598	1.2389	0.6185	1.3594	1.3745
alpha-ketobutyrate	3-Methyl pyruvic acid	0.8153	0.9277	0.7864	1.4532	1.6055	1.1436	1.0893	0.7937	1	0.4212	0.5617	0.6041	1.1973	0.4498	0.5647	0.9978	0.8379	1.3089	0.9884	0.5888	0.6475	2.2073	1.1092	1.2673	1.5210	0.6551	0.9575	0.8419	0.5894	1.3345	1.8772	0.8780	1.2203	2.8553	1.5896	1.0143	1.2159	0.6757	0.8853	2.5543	1.1623	0.8728	0.7323	0.7963	0.8448	0.7426	1.2874	1.1328	1.2716	0.7411	1.5727	0.7692	0.8506	1.0097	0.7033	1.5660	1.3926	0.8898	0.8458	1.2139	0.5416	1.3542	1.2673	1.3678	0.7282	0.8243	1.0705	1.9015	2.1740	0.7036	2.4170	0.8020	1.4976	2.3930	1.8768
alpha-ketoglutarate	2-Oxoglutaric acid	0.8387	0.8635	1.3026	1.1098	1.2290	0.7462	0.7921	1.0023	1.1343	1.2730	1.2140	0.7020	0.8281	1.0057	1.6509	1.4811	1.0321	0.8906	0.8629	0.8070	1.4404	1.1084	1.0161	0.9337	1.3709	1.2102	0.9514	1	0.9483	1.0171	1.4509	0.8861	1.0731	0.5533	1.7896	1.7257	0.7432	0.7324	0.9989	1.0242	0.8420	0.8973	0.7992	0.7844	0.9714	0.7321	0.9561	0.7529	1.2807	1.2043	1.1311	1.0490	1.5136	1.0999	1.3359	1.0086	0.9534	0.9054	1.1056	1.3762	1.1996	0.9771	1.0072	0.9725	1.1021	1.1071	0.7907	0.9053	0.9571	1.2788	0.9624	0.8824	0.7977	0.8902	0.9568
alpha-tocopherol	alpha-Tocopherol	1.0379	0.9065	1.0308	0.9458	1.0154	1.1006	0.9280	1.0030	1.1904	1.1846	1.0079	0.9727	0.9181	0.8557	1.0529	1.3125	0.6297	1.1274	1.0358	0.9353	0.9736	0.9822	0.9926	0.5709	0.7667	0.9177	1.0716	1.2781	1.0456	0.9462	1.1938	0.7815	1.0872	0.7685	1.0353	0.9017	1	1.0109	0.7914	0.9770	1.1684	1.0398	1.2241	0.9965	1.0721	1.1315	1.1425	0.8470	1.0560	0.9429	1.2978	0.9521	0.9435	0.8591	1.1182	1.3843	0.8152	1.1831	1.1415	1.4033	0.9613	0.7359	1.1775	1.1570	0.9864	1.0116	0.8670	0.8920	0.8996	0.7672	1.2022	1.0050	0.9172	0.9760	0.8074
androstenediol (3alpha_ 17alpha) monsulfate (2)		0.6897	0.5868	0.7444	0.6866	0.7249	0.7603	1.9207	0.8984	0.7766	0.4581	0.3200	0.4162	3.7223	0.6817	0.4201	0.4775	1.1516	0.6247	1.3860	1.3880	2.3312	1.1157	0.5268	0.4757	0.4264	0.6103	1.0343	0.7712	1.1653	1.0735	2.3673	0.5268	0.7941	0.6610	0.9934	0.6143	0.6576	0.6386	0.5768	0.6362	0.6687	0.9815	0.6749	2.6636	3.6947	2.6499	4.3812	2.5224	3.0372	2.0721	0.9826	1.1874	0.7305	1.8607	1.0704	0.4430	0.8444	1.7241	1.3131	1.1259	1.6296	1.0250	2.7813	1.0436	2.1191	2.2045	1.2041	2.1959	1.4350	2.5935	0.2894	1	2.1471	1.6869	2.1279
androstenediol (3alpha_ 17alpha) monsulfate (3)		1.1232	1.3161	0.7696	0.5338	0.9055	1.1128	0.8887	1.2270	0.4733	0.3244	0.3583	0.3849	1.9369	1.0542	0.3270	0.4888	0.9790	0.6003	1	1.2544	1.0623	1.3298	0.7271	1.5615	0.3846	0.3672	0.9703	0.9687	0.5230	0.9758	1.2314	0.5957	1.3389	0.9342	0.9758	0.7103	0.3482	0.3837	0.6284	0.6048	0.6890	0.4780	1.0183	0.9738	1.8317	1.5716	1.9441	3.2087	1.1212	1.2255	1.2310	1.1474	0.8680	3.4889	0.7414	1.0853	1.8214	0.7464	1.9308	1.1777	0.7291	3.9906	1.1253	0.6962	1.8267	1.5315	0.8098	2.4935	3.3910	1.5798	0.4104	1.1201	2.4495	1.7896	1.2720
androstenediol (3beta_17beta) disulfate (1)	4-Androsten-3beta,17beta-diol disulfate	1.3107	0.9575	2.6937	0.6018	0.7947	1.7778	1.6266	1.0251	0.5620	0.1752	0.3988	0.4796	1.7170	0.9448	0.4860	0.6529	0.7503	1.1052	0.7770	1.0022	0.9142	0.9182	1.2407	1.0502	0.8145	0.4604	0.5460	1.5266	0.3790	0.7741	1.3456	0.6875	1.2258	0.4502	1.3619	0.7401	0.8446	0.6273	1.9621	1.3286	0.7914	0.7725	1.2420	0.6516	2.2481	0.9415	2.2502	1.5803	0.9487	1.2221	2.6394	0.9967	1.6489	1.5198	1.1345	1	1.4356	0.7076	0.9824	6.1541	0.7484	1.0135	0.9276	1.2102	1.9547	2.1144	0.9088	1.8781	1.5816	1.0157	0.7743	1.0838	0.8829	1.0014	1.0173
androstenediol (3beta_17beta) disulfate (2)	4-Androsten-3beta,17beta-diol disulfate	1.1650	0.7469	1.0820	0.6547	0.8695	1.1589	1.2976	1.0714	0.6555	0.3882	0.3581	0.5005	1.6273	1.0570	0.4567	0.4631	1	0.6684	0.7095	1.2210	1.2717	0.8478	0.7376	0.9780	0.7122	0.8602	0.7703	0.7662	0.8581	0.6889	1.3569	0.7160	1.0293	0.7740	1.3013	0.6899	0.9134	0.5320	1.1408	1.0653	0.8858	0.9135	1.1217	1.0984	1.7567	1.7759	1.9957	1.8760	1.3792	1.4915	1.0075	0.8890	0.9782	1.5197	1.0132	0.5694	0.9562	0.8605	1.1385	1.2145	0.7799	0.8354	1.4990	0.8771	1.4458	1.6090	0.9915	1.6779	1.3592	1.3153	0.4622	1.1386	1.4154	1.4272	1.0974
androstenediol (3beta_17beta) monosulfate (1)		0.5776	0.4003	1.3736	0.3863	0.8439	1.2727	2.9280	0.6872	0.6583	0.1798	0.3353	0.5237	3.0468	1.2070	0.3421	0.5589	1.2190	1.0454	0.9956	0.6603	1	1.5812	0.7984	0.7127	0.5672	0.4580	0.9393	1.8040	0.4597	0.7357	1.6146	0.7911	0.9988	0.4776	0.6532	0.5361	0.6624	0.1819	1.0761	0.8139	0.6747	0.4617	0.7657	1.2248	3.6744	1.1839	3.0212	2.0571	1.4675	1.4353	2.7790	0.7922	0.7226	1.7297	1.1782	0.7410	1.1342	1.1342	1.2304	1.8326	0.6596	1.2993	1.0551	1.0595	1.3390	2.3704	1.2779	2.1453	1.5180	2.1385	0.3157	0.9325	1.5411	1.6137	1.4227
androstenediol (3beta_17beta) monosulfate (2)		1.9730	0.7759	3.1756	0.5891	0.9272	1.9588	1.7695	1.1439	1.0713	0.2880	0.4551	0.5704	2.4684	0.8824	0.6286	0.8839	0.8303	0.8436	1.1103	1.7154	1.6069	1	1.5105	0.7205	1.2615	0.4233	0.7668	2.7460	0.3773	1.3646	2.7438	1.0011	1.8614	0.7855	2.8866	1.1070	1.3796	1.9688	1.9681	1.7553	1.0718	1.0664	1.1090	0.5965	2.0419	0.8855	2.0929	1.8333	0.7900	1.5908	2.3601	0.7676	1.4929	1.2991	0.6423	0.5496	1.2569	0.7067	0.3752	2.0939	0.2478	0.6423	0.7323	0.8190	0.9072	2.4800	0.7371	1.6213	0.7093	0.8112	0.4830	0.8936	0.6433	0.7997	0.9472
andro steroid monosulfate (1)*	5alpha-Androstane-3alpha-ol-17-one sulfate	0.8749	0.2674	1.0569	1.5119	1.4198	1.1265	1.8227	1.0890	1.0642	0.8584	0.2190	0.3127	1.8990	2.5152	0.5783	0.5761	1.5995	1.4576	0.5655	1.9581	1.7714	0.7814	0.7591	0.9177	2.4002	1.3648	0.9144	1.1131	0.9906	0.3869	1.9294	0.4169	0.5600	0.8701	0.8268	1.7457	1	0.4532	1.0482	1.3017	0.8934	5.0422	0.8113	1.7598	3.2284	1.5226	1.4568	1.9191	0.8167	0.5145	1.8693	1.3649	0.6312	0.7608	1.3250	0.8590	1.0430	0.6844	0.5301	0.7776	0.1753	0.3336	2.0956	0.8890	2.3481	1.0146	0.9622	1.8188	1.3245	2.1090	0.1952	0.7152	1.2132	0.7936	0.7993
androsterone sulfate	5alpha-Androstane-3alpha-ol-17-one sulfate	1.4164	0.9140	1.1237	0.2927	1.2208	1.4145	1.0661	1.7512	0.6219	0.5339	0.3537	0.3590	2.1990	0.9519	0.4671	0.6019	1.0741	0.8905	0.9330	1.2603	1.2055	1.0350	1.1768	0.8165	0.4173	0.3192	0.8710	1.5342	0.3967	0.9524	1	0.4978	1.4501	1.5649	1.7510	0.6429	0.6084	0.7094	0.3977	1.1030	1.5903	0.1913	1.2469	0.4603	2.3440	1.2184	1.0525	3.4843	0.7954	1.4706	1.2798	1.0733	0.5829	1.8652	0.4413	0.9609	1.8194	1.0930	0.8087	0.5552	0.2929	1.8855	1.2450	0.9235	0.8643	1.5412	0.8403	2.0287	2.0039	1.9044	0.3259	0.8205	1.4167	0.5308	1.2938
arabitol/xylitol	Arabitol	0.9993	1.2102	1.2074	0.7334	0.7319	1.2696	1.1783	1.0350	1.2024	2.1721	0.9429	0.9189	0.9653	0.8518	0.9962	0.8552	0.8522	1.1407	0.9573	0.9798	1.1878	0.7056	0.9604	0.8392	0.8815	0.6698	0.6623	1.3428	0.9713	0.7737	0.9787	0.6876	0.8955	0.7746	0.9309	1.2475	1.0207	1.3808	0.9168	0.9151	0.6232	1.1249	0.8675	1.2519	0.9625	1.3233	1.2668	1.5277	1.3621	1.3086	1.3736	1.3275	1.2548	1.1376	0.9575	1.5223	1.0014	0.9425	1.0708	1.0284	0.9428	0.8204	1.0124	1.2636	1.5258	1.2988	1.0724	1	0.8965	1.3103	0.9652	1.0007	0.9625	1.0489	1.0873
arabonate/xylonate	Arabinonic acid/Xylonic acid	0.8037	1.1736	1.3860	0.6861	0.5643	1.3438	1.0560	1.0570	1.2253	2.1200	0.9066	0.8236	1.1690	0.9961	0.6440	0.6865	0.7597	0.9098	0.7066	0.9055	1.6316	1.0915	0.8723	0.5169	0.7205	0.4803	0.5458	1.0955	0.6329	1.5651	0.8827	0.9362	1.2075	0.5975	0.6344	1.3804	1.8892	1.3508	0.8375	1.0296	1.0919	1.0865	1.0129	0.9778	0.6921	1.2075	1.4482	1.0829	1.0093	0.7657	1.3605	1.1778	1	1.1803	0.6817	1.0628	1.1609	0.7050	0.5833	1.5454	0.5111	0.8902	0.9735	1.2996	1.2092	1.5981	1.2296	0.7344	1.2286	0.9082	0.8062	0.7965	1.0821	1.1957	0.7691
arachidate (20:0)	Arachidic acid	1.0428	1.3166	1.0739	1.1268	1.1871	0.9656	1.0249	1.2117	0.9070	1.3279	0.7653	0.7209	0.8266	1.0944	1.1175	1.5115	0.9664	1.1949	0.6648	0.9794	1.1672	1.5979	1.7779	0.8034	1.1091	0.8522	0.7103	0.7446	1.0196	0.8173	1.0671	0.7138	0.9649	1.3572	1.3027	1.1725	0.7817	0.8660	0.7863	1.2099	0.7081	0.7982	1.1951	0.8226	1.1047	0.9672	0.9229	0.8130	1.0040	1.1993	1.3195	1.4539	0.9810	1.3064	1.0363	1	0.8805	0.7417	1.7752	0.7955	1.0528	0.7872	1.0923	0.9661	1.9072	1.1993	3.3004	0.9966	0.9579	0.7348	0.7720	0.7290	1.1297	0.9315	0.9610
arachidonate (20:4n6)	Arachidonic acid	1.0706	0.8522	0.9052	1.0285	1.1471	0.9562	1.3293	0.9085	1.2778	0.8165	1.2689	0.6710	1.1636	0.7672	1.1343	1.2507	0.9468	1.3009	0.6350	1.3021	1.1531	1.3032	1.3362	1.5020	1.4498	1.5249	0.9392	0.9375	0.9892	1.2253	1.3595	0.9376	1	1.0696	1.9228	0.6053	0.7412	0.4760	1.1884	1.2418	1.2654	0.9265	1.3434	0.5368	0.8312	0.9116	0.9739	0.6741	0.7922	1.1812	1.2675	1.4805	0.8297	1.0962	1.1454	1.0072	0.8631	0.8675	0.7866	1.2717	1.1219	0.9065	0.6918	1.0153	0.7759	0.7325	0.5584	1.1790	1.0455	0.5407	1.1360	0.7423	0.8946	0.9235	0.8366
arachidonoylcarnitine (C20:4)	CAR 20:4	0.4099	0.6683	0.6489	0.6252	0.6009	1.0373	0.8470	1.0775	0.9221	0.9999	0.8715	0.7795	0.9520	0.7462	1.6474	0.9116	0.9066	1.9676	1.1834	0.8197	1.1468	0.5928	0.7646	1.1645	0.8011	0.5021	0.5232	1.2126	1.1004	0.9437	0.7426	0.9011	1.0548	0.8099	0.9037	0.7934	0.8434	0.4778	1.5121	0.5621	0.9809	0.7235	1.0065	0.8935	1.2875	1.5938	1.0831	2.9766	1.4178	1	1.4166	1.8851	1.1637	2.9071	2.9671	0.9995	1.2237	1.7676	1.0034	2.3897	1.6109	2.6422	0.8268	2.6691	1.7979	0.9828	0.7152	1.4132	1.7277	1.0831	0.7063	2.0021	1.9691	1.0828	1.5773
arachidonoylcholine	Arachidonoylcholine	0.6714	0.2752	1	0.9175	0.6795	1.8960	1.6632	0.7108	1.8118	1.4184	1.6225	0.7650	1.3255	0.6156	1.8959	1.0055	0.4400	0.8457	0.3238	3.4925	1.6179	2.5141	1.4987	1.6875	0.6315	0.4965	1.2337	1.5076	0.1421	1.4922	0.9838	1.3746	1.2764	0.6028	0.4394	0.2692	1.1273	0.9830	2.2443	0.3820	1.3598	1.3682	1.6769	0.1270	0.4967	1.6634	1.4213	0.8991	0.8317	1.4839	0.8218	1.2787	2.2706	1.6193	1.8865	1.2038	1.1548	0.1549	0.4119	2.2109	1.6849	0.4366	0.5484	1.8587	0.6221	0.6043	0.4495	0.7950	1.4704	0.2376	0.7378	1.0096	0.3865	0.2502	0.2806
arachidonoyl ethanolamide	Arachidonoyl-EA	0.6270	0.7466	0.8980	0.5393	1.1172	1.3701	2.0021	0.9852	0.9110	0.3883	1.0917	0.8595	1.0334	0.4974	1.2417	0.8916	0.9228	1.5910	1.2652	1.4689	0.8893	0.6112	1.2119	1.4838	0.8774	1.3719	0.6420	1.2300	0.8512	1.2392	2.0288	1.1791	0.6791	0.8376	1.4328	0.3883	0.5343	0.4646	1.2508	1.0873	0.6825	0.8491	1.0842	0.4625	1.0611	0.6862	0.6378	0.5870	0.9870	1.1786	0.8878	1.0204	1.0076	2.1001	1.7210	0.8271	0.6081	1.7006	1.4520	1.3977	1.4292	1.4306	0.3883	1.4979	0.3883	0.9482	0.5573	1.2621	0.6602	1.2642	0.6791	1.2230	1.0251	0.9924	0.7366
arachidoylcarnitine (C20)*	CAR 20:0	0.4885	0.9709	0.5437	0.9721	0.9974	0.9473	0.6021	1.3038	0.9137	0.9641	1.1852	0.8222	0.7304	1.4009	1.3696	2.0124	0.8877	1.0026	0.8355	0.5867	1.0296	1.1975	0.4504	0.5012	0.9762	0.4504	0.5826	0.4504	0.8642	0.8175	1.4209	0.5687	1.1215	0.6292	1.3697	2.2524	0.7002	0.6496	0.4504	0.7184	1.0488	0.4504	0.4504	0.9475	1.0431	1.7520	0.6672	1.0905	0.9421	0.6693	1.5237	1.0614	1.1167	1.1050	1.7103	1.6656	1.5825	1.8360	1.4099	0.8990	0.6915	1.0977	0.4504	0.9398	1.3981	0.9291	2.8649	0.4504	1.8755	1.0393	0.7584	1.2157	1.0776	1.0821	1.2547
argininate*	Argininic acid	0.7243	0.3667	1.5627	0.7696	0.5674	2.1837	1.0568	0.5880	1.6051	1.2643	0.5277	0.8890	0.5122	0.2860	0.6350	0.9604	0.3353	0.7211	0.5895	0.8474	1.0872	0.6346	0.4551	0.4099	0.5896	0.9683	1.0727	3.4853	1.4163	1.0751	0.4246	0.3486	0.6378	0.4671	1.7032	2.1977	0.7918	1.4474	1.1539	0.8526	1.1744	0.5276	0.3292	1.1186	0.6826	0.5553	1.4130	1	1.1943	1.1461	1.1007	0.5579	1.3269	0.7824	1.3436	2.3650	1.0414	1.5497	2.3150	1.0946	0.7583	1.2445	2.6674	1.5368	4.9875	0.8378	2.7275	0.7047	0.8910	1.2690	1.8318	1.1294	0.7216	2.2029	2.0946
arginine	Arginine	0.8363	0.9156	0.6734	1.2344	0.7476	0.9242	0.8902	1.3457	1.0819	0.9437	0.9575	1.1454	1.1136	1.2430	0.7169	1.1587	1.0486	0.7136	0.9087	1	0.8087	1.0843	0.9373	0.7459	0.7165	0.7337	1.1095	0.9702	1.0238	1.1972	0.8098	0.9671	1.0290	0.6494	0.8972	1.1446	0.7658	0.6093	1.1053	0.9231	1.0830	1.1311	1.0086	1.1260	1.0859	1.0552	0.9656	1.2672	1.1619	1.4862	1.0228	1.1700	1.3200	0.8119	0.7456	1.0287	1.2316	0.8184	0.8415	1.2864	0.7686	0.9166	1.1847	1.1148	1.2586	1.0797	0.7864	0.7699	0.8820	1.2628	0.9418	0.9570	1.1193	0.9065	1.0953
asparagine	Asparagine	1.1058	1.0573	1.0546	1.0089	1.1297	0.7645	0.8452	1.2086	1.0512	1.0260	1.0807	0.9797	1.0305	1.0675	0.8390	1.1567	0.9615	1.0409	0.8154	1.1255	0.8874	1.0356	0.9844	0.9236	0.8678	0.9646	1.0310	1.1812	1.0183	1.0821	0.8334	0.8473	0.9181	0.8214	1.1772	1.0818	1.0390	0.9550	1.1579	1.2576	0.8835	1.0229	0.9593	1.0552	1.1145	1.0769	0.9239	1.0221	0.8537	1.2177	0.8751	1.1452	1.0952	0.9523	1.0715	0.9348	0.9636	0.9074	0.7261	0.8498	0.9117	0.8715	0.9468	0.9815	1.1549	1.1626	1.0408	0.9398	0.9402	0.9787	0.8848	0.8902	1	0.7596	1.0046
aspartate	Aspartic acid	0.5477	0.7139	0.8314	0.8817	1.3057	1.0854	1.3400	0.9942	0.8797	0.7591	0.6926	1.6561	1.0940	1.0822	0.8462	0.7452	1.0682	1.0595	0.9832	1	0.9138	1.0024	1.0643	1.6380	1.3463	0.5538	0.9013	0.6775	0.8483	1.1059	1.7551	0.6263	0.8353	0.8679	0.6048	1.0130	0.8487	0.9416	0.6687	0.5738	1.2518	0.8662	1.4540	1.2231	0.9347	0.8854	1.6302	1.1376	1.8803	0.8120	0.9860	0.7461	0.5053	1.2279	0.8071	1.5326	0.9193	1.0013	1.0990	1.4995	1.1244	1.6620	0.9577	1.6611	1.6102	1.3403	0.6954	1.1428	0.9189	1.6066	1.1493	1.1999	1.2436	0.9185	1.4048
azelate (nonanedioate)	Azelaic acid	0.8357	0.8744	1.4082	0.6854	0.9598	0.6677	0.8425	0.7537	0.7148	1.2799	1.1921	0.8974	1.0729	0.8723	0.7994	0.9565	1	0.9202	0.7713	0.8832	1.0589	1.0564	1.1048	0.7175	1.0326	1.4945	0.8389	1.5816	1.1927	0.9677	1.1777	1.0846	0.9407	1.4341	1.7532	0.9199	0.7897	1.2273	0.8717	0.5390	0.5275	0.5496	0.6629	1.0163	0.8832	0.6311	0.7146	0.6249	0.8347	0.8760	1.1521	1.0140	0.7891	1.4166	1.1468	1.1428	0.7634	1.1428	1.3738	0.9714	1.3239	0.8306	1.0382	0.9312	57.0089	1.1987	1.3516	1.0020	1.1478	1.5464	1.1102	1.0767	1.5120	1.0998	1.0190
behenoylcarnitine (C22)*	CAR 22:0	0.5855	0.7547	0.6958	0.8414	0.6896	1.0157	0.6831	1.1780	0.8758	1.2567	1	0.8641	0.8219	1.4681	1.3690	5.8954	0.8484	0.8677	0.7570	0.7260	1.5895	1.5688	2.0649	0.6880	0.9063	0.5277	0.8252	0.7057	0.8355	0.7522	1.0540	0.7282	0.8242	0.7232	1.2159	5.3569	0.7107	1.3671	0.4946	0.6190	0.7860	1.1148	0.8165	1.0313	0.9599	1.2620	0.7176	1.1837	1.2722	0.7769	1.8350	0.8364	1.0344	1.2210	1.5549	3.2666	1.4220	1.8563	4.2009	1.2095	0.7618	0.9533	1.2073	1.3061	4.4187	0.6055	11.1541	0.6802	2.3398	1.2266	1.2147	1.2895	1.3058	0.8857	1.2912
behenoyl dihydrosphingomyelin (d18:0/22:0)*	SM 18:0;O2/22:0	0.9348	0.9654	1.6616	0.7407	1	1.8895	0.8586	0.6345	1.2889	1.0784	1.1569	0.5075	0.7861	0.5371	1.6190	1.0875	0.6549	0.7185	0.8593	1.1486	0.7233	1.7678	0.7548	0.6569	0.6602	1.7792	0.4416	1.2374	1.1213	1.4232	1.7124	0.8831	1.0807	1.3260	1.2544	1.0739	0.8495	1.2402	0.4686	0.6195	1.0964	0.8763	0.9834	0.6103	0.6024	1.0770	1.8534	0.7838	2.3682	0.8401	1.4989	0.7100	0.6192	0.8863	1.3661	2.6341	1.6687	1.0859	3.2580	3.2151	1.3763	0.7898	0.6640	1.1884	1.2191	0.5930	0.4538	0.5624	0.8615	0.7610	2.3458	1.2222	0.9030	1.1461	1.2116
behenoyl sphingomyelin (d18:1/22:0)*	SM 18:1;O2/22:0	0.8876	0.9763	1.1420	1.0234	0.9982	1.5285	1.0582	0.9297	1.2521	1.2407	0.9343	0.9396	0.7860	0.9928	1.0063	1.1467	0.6653	1.1494	1.1243	0.9999	0.9596	1.2186	1.0376	0.8673	0.8603	0.9702	0.8995	1.0315	1.2018	1.1076	1.0588	0.9584	0.9750	0.8162	0.6959	0.9755	0.9076	1.1152	0.6396	0.8170	1.0204	1.1673	1.0475	0.9610	0.8483	1.2465	1.1214	1.0249	1.0970	1	1.2824	0.8087	0.8273	0.9199	1.1063	1.4275	1.2766	1.3400	1.3504	1.4224	0.9743	0.9993	0.9380	1.1844	0.9438	0.9031	0.9136	0.7862	1.0972	1.0358	1.2346	1.0833	0.8761	0.9001	1.0362
benzoate	Benzoic acid	0.3054	0.7734	0.7784	1.1810	1.3961	1.3050	1.1508	1.1908	1.0851	1.0022	1.3392	0.7595	0.8308	1.0593	0.4917	0.7072	0.7397	0.7951	0.9435	0.4875	0.8552	1.0024	0.3054	1.1713	0.8746	1.5560	1.1064	1.0136	0.6230	1.4347	1.0861	0.9371	0.9906	2.4990	1.4642	0.5621	0.6853	1.2218	0.3054	0.8884	1.3221	1.0716	1.3364	0.9775	0.7161	1.1189	0.9530	0.9753	0.3054	1.0496	0.9912	1.3440	1.3308	0.6283	1.2611	1.2154	0.9735	1.0769	1.1619	1.2454	1.3073	0.9107	0.7758	0.9978	0.7880	0.7344	0.8826	0.6057	1.2431	0.9531	1.0916	1.4560	0.4566	0.9198	2.2314
beta-alanine	beta-Alanine	0.8983	1.1721	0.8691	0.6615	0.6677	0.9104	1.0541	1.1208	1.3847	1.0073	0.9721	0.7469	1.0190	0.7004	0.8935	1.1523	0.8105	1.4654	0.9977	0.6598	0.8300	1.0491	0.6338	0.8497	1.1352	0.7181	1.5483	1.1325	0.8388	0.8576	1	0.8450	1.7001	0.9655	2.0295	1.5163	0.7115	1.0125	1.3300	1.5510	0.7940	0.7756	0.6996	0.9232	1.1061	1.2140	1.2519	1.2528	1.0582	1.6385	0.9573	1.3246	1.6660	1.0321	1.2851	1.1094	0.6701	1.3809	1.3619	0.8925	0.7808	0.9559	1.1456	0.7979	0.7314	1.0887	1.3411	1.1910	0.7975	0.7409	1.5189	0.9818	0.6893	0.9167	1.5115
beta-citrylglutamate	Beta-Citryl-glutamic acid	0.6112	0.8848	0.8427	0.7901	1.4543	1.3348	1.1344	1.0338	1.2984	1.0649	0.6506	1.1262	1.8138	1.2355	1.2250	1.0163	0.8588	1.0569	0.7761	1.2805	1.1695	1.0861	0.9347	1.6036	1.1434	0.3752	0.7838	0.8175	0.6878	0.6949	1.6546	0.6518	0.8903	0.6864	0.8532	1.2689	0.9457	0.9583	0.5047	1.0890	1.4236	1.0133	1.0442	0.9143	0.6356	0.8797	1.2852	0.8190	1.2844	0.9983	1.1347	0.9016	0.6889	0.9387	1.0191	1.1048	1.1938	0.6202	0.4796	1.3547	0.6520	1.3757	0.8693	1.1677	1.1151	1.0922	1	0.9372	1.5351	0.8841	1.2670	0.8769	0.9950	0.5822	1.0452
beta-hydroxyisovalerate	3-Hydroxyisovaleric acid	0.5139	0.6418	0.3642	1.2583	1.2027	4.2218	1.5706	0.8341	1.0327	0.8064	1	0.4840	0.7674	0.6760	1.2180	0.7686	0.4813	1.0249	0.5314	0.5428	0.3633	1.7777	0.7946	2.3027	0.8364	2.0437	0.9544	0.8989	0.7803	1.4185	0.9102	1.0320	0.7783	1.1148	0.6773	0.6618	0.7731	1.3488	0.8444	1.2218	0.7598	0.7050	0.5997	0.5677	1.2230	1.1675	1.4027	1.0558	0.8712	1.0579	1.1497	2.0051	1.5948	4.0283	2.2447	1.1175	0.8964	0.6434	1.0547	2.4397	1.7259	1.6570	0.9928	1.2903	0.7007	0.5028	1.5243	0.6989	1.1520	0.7456	1.3090	1.0227	0.3495	1.1619	1.0662
betaine	Betaine	0.6085	0.6675	0.7169	1.2211	0.9188	0.9806	1.2140	1.0800	0.7973	1.2814	0.8735	1.0546	1.1401	0.9244	0.9917	0.9792	1.0766	0.8885	0.8841	0.8126	1.6295	0.9579	0.9816	1.0199	1.1255	0.5992	1.0945	1.0225	0.6997	1.0218	0.6808	1.0558	0.9058	0.9290	0.8983	0.9373	0.5809	0.5172	0.9535	0.6915	1.0809	0.9298	0.8420	0.8942	1.0310	0.8844	0.9710	1.3359	1	0.9667	1.4101	1.2295	1.2652	1.0424	1.3231	0.8840	1.1721	1.0920	1.0373	1.1874	1.0904	1.2360	0.8947	1.0880	1.2573	1.3481	0.7234	1.1560	1.0838	1.3672	0.8698	1.1340	1.6335	1.0443	0.9558
beta-sitosterol	Sitosterol	0.8267	0.6226	1.2588	1.6716	0.8126	1.3327	1.3236	1.0886	2.3955	2.7176	1.5207	1.0419	0.3586	1.5887	0.9537	2.3116	0.4015	2.1908	0.9593	1.0819	1.7506	1.1668	0.5855	0.9782	0.9302	1.3352	1.0226	1.4629	1.4057	1	0.3397	1.0024	0.7629	0.3599	0.9221	2.2054	0.5982	1.4342	0.2463	1.2263	1.7117	1.4639	0.9659	1.1672	2.2002	0.9534	0.5918	0.8632	0.3733	1.1697	0.5866	0.4750	1.3367	0.8464	1.1989	1.2598	0.7835	2.5607	1.3360	1.1526	0.7593	0.5969	0.8943	0.8797	1.2089	0.9278	1.3387	0.6604	0.7807	0.9972	0.9491	1.3459	0.6099	0.9114	0.5312
betonicine	Betonicine	0.4041	0.7621	0.2465	73.0184	0.2465	0.2465	0.2465	0.8738	0.2465	2.3946	0.2465	3.9481	0.2465	1.4937	273.5246	1.8903	0.4679	0.2465	0.5878	0.7951	0.2465	0.5445	2.5072	0.2465	0.2465	0.2465	3.4014	0.2465	0.8384	0.2465	0.6695	0.4436	3.1101	0.2465	0.7639	53.6302	0.3925	1.8315	0.2465	0.2465	0.2465	0.6072	0.2465	0.3569	0.2465	1.1553	0.6584	1.7831	0.2465	0.2465	0.2465	0.6916	0.2465	0.2465	1.6124	2.7944	1	1.4271	12.5007	0.2465	0.5451	0.2465	2.0933	0.2465	0.8333	1.4962	18.0848	0.2465	0.2465	0.8457	0.6827	4.6369	0.4196	1.0683	0.2465
bilirubin (E_E)*	Bilirubin	1.2310	1.1042	1.0917	1.5339	0.7000	0.3582	1	1.5671	1.4648	1.9290	0.4134	0.4667	1.1870	0.7608	0.2753	0.8581	1.1693	1.9035	0.3350	0.7189	1.1830	2.0936	1.7597	0.9738	0.6957	0.9980	0.7449	0.5122	0.7463	0.4459	0.5423	0.6620	1.7488	0.8687	1.2238	0.4702	0.4228	0.1792	0.3155	1.1618	0.4300	0.5176	1.0512	0.2759	3.1428	2.8403	1.5198	1.9908	2.2139	1.0820	1.5529	1.4488	1.2601	1.4974	1.0833	0.5018	1.0551	0.8256	0.8215	0.8966	1.8244	1.0510	1.0955	0.9143	0.3826	0.8654	0.3317	1.8166	1.2207	0.6092	0.5340	1.6248	1.4612	0.7267	1.5814
bilirubin (E_Z or Z_E)*	Bilirubin	1.1870	1.1483	0.6640	1.4232	0.7357	0.4969	0.9064	1.5267	1.7765	2.0288	0.5457	0.4302	1.0814	0.9559	0.3428	0.9675	0.7838	1.2873	0.6805	0.8296	1.0193	1.8942	1.3058	1.0083	0.6423	1.4566	1.1478	0.9914	0.8167	0.6147	0.6679	0.9787	1.3449	0.8585	1.2435	0.5238	0.8621	0.3272	0.4039	1.5599	0.6717	0.7138	1.1651	0.4102	1.7899	1.7266	1.2669	2.2716	2.5115	1.1515	1.5085	1.4390	1.4744	1.2052	0.8957	0.8871	1.2891	0.2717	0.9087	0.9753	1.4560	1.2266	1.1198	1	0.7168	0.9984	0.5683	2.3559	1.6872	0.8152	0.9749	2.1013	1.6683	0.9051	1.8078
bilirubin (Z_Z)	Bilirubin	1.0162	0.8296	0.8485	1.2196	0.7341	0.4396	0.8125	1.2728	1.5041	2.0862	0.5491	0.4469	1.0310	1	0.3315	0.8688	0.6894	1.2321	0.5134	0.8410	1.0199	1.9159	1.1677	0.8833	0.7714	1.2594	1.0115	0.7415	0.9897	0.8158	0.8288	0.8959	1.6462	0.8154	1.0711	0.8720	0.7466	0.3174	0.4505	1.3227	0.6151	0.7173	1.0408	0.5336	1.4078	1.6574	1.0479	1.8786	2.4744	1.0957	1.3484	1.1757	1.5443	1.1804	0.7953	0.7477	1.1698	1.0893	0.8238	0.7694	1.1612	1.1043	1.0199	0.8695	0.5794	0.8501	0.6255	2.0970	1.6959	0.7812	0.8555	1.9345	1.4892	1.0929	2.2213
biliverdin	Biliverdin	1.2523	0.7771	1	1.1270	0.5802	0.3022	0.8713	1.4139	1.3053	1.6680	0.3795	0.3442	1.0872	1.5891	0.4750	0.6572	0.9641	1.0934	0.4493	0.7850	0.9113	1.9272	1.3042	0.8392	0.6807	1.6447	0.8961	0.5073	1.2277	0.5013	0.9334	0.8194	2.7287	0.8305	1.0715	1.9103	0.5071	0.1794	0.4617	1.2223	0.4359	0.5512	0.9635	0.7195	1.9243	2.0238	1.1727	1.8483	2.7036	1.1646	1.5411	1.3220	1.5668	1.2606	0.8869	0.5368	1.0688	3.2606	0.8561	0.7057	1.1560	1.1367	1.0456	0.8816	0.4599	0.8483	0.3705	1.9193	1.3012	0.9763	0.6074	2.2362	1.5077	1.0262	1.8955
butyrylcarnitine (C4)	CAR 4:0	0.7507	0.9297	0.6124	0.8875	4.3269	1.3322	0.8397	0.9691	0.8013	1.5875	1.2346	2.6723	0.5267	0.9649	0.6867	0.8637	1.1098	0.9498	0.9579	0.9983	1.1254	0.9152	2.2321	0.8710	0.7713	0.5601	0.5212	3.2879	0.8120	1.2290	1.1307	0.6870	0.5603	0.8164	0.7902	0.8963	0.9593	0.9103	0.8336	0.6765	0.6255	0.8817	6.4760	1.2159	0.9930	1.1953	10.7433	1	2.4026	1.1996	0.9974	0.8166	1.5307	1.7478	1.3957	2.2616	1.8217	1.1213	1.4449	1.3217	1.0920	1.3100	0.8214	1.1506	5.3504	0.7554	2.0547	1.2993	0.6085	1.0424	1.8158	1.0902	1.5442	2.1529	1.2539
caffeic acid sulfate		0.2689	0.2689	1.4915	0.4081	0.2689	0.7009	0.2689	0.4696	1.0583	1.7751	0.2689	0.3010	0.2689	0.6725	0.2689	1.1602	0.2689	0.6953	0.2689	0.7806	4.5091	0.2689	0.2689	0.2689	0.7207	0.2689	0.2689	8.3319	0.2689	6.0763	0.2689	0.5498	0.2689	0.2689	0.2689	3.4911	0.7280	1.9858	0.2689	1.2107	0.2689	0.3750	0.9663	0.6030	0.2689	0.2689	0.8865	1.5362	0.2689	1.5924	0.2689	0.2689	0.9756	0.2689	0.2689	0.2689	0.6611	17.0002	0.2689	0.2689	0.2689	0.2689	1	0.2689	247.8868	5.2009	0.4072	0.5834	4.1605	3.1951	1.8938	1.4589	0.2689	0.2689	0.2689
caffeine	Caffeine	0.8014	3.2725	4.3226	0.0853	0.0996	0.2480	0.0309	0.0309	0.0973	1.6612	1.1061	0.0309	0.4426	1.5303	0.5427	3.9943	0.4694	0.5565	2.0323	1.5770	2.6324	0.1413	3.3129	1.1137	0.6928	1.1854	0.1778	0.6005	0.0309	1.1509	0.3772	0.3783	0.0698	0.5256	21.3136	0.6532	5.4323	5.5585	2.0884	5.5626	0.0309	0.2407	0.0309	0.0309	1.9945	1.2902	0.5779	0.0309	0.1463	0.0309	0.0309	0.0309	0.9383	0.2054	5.0329	3.2884	14.2924	14.7843	1.2398	0.0309	0.1525	0.6476	0.1771	0.7875	4.0996	1	1.6418	5.8997	0.5796	9.8424	19.6003	0.0309	0.0309	0.0309	0.4628
campesterol	Campesterol	1.1336	0.5406	1.1802	1.5455	0.9164	1.6285	0.8767	0.6667	1.8665	1.9903	1.2685	1.1380	0.3067	1.0822	1.0809	2.1997	0.4720	1.9223	0.6768	0.7099	1.7277	1.2745	0.4830	0.6191	1.1435	1.2070	1.2512	1.3576	1.2743	1.2321	0.4108	1.0750	0.7419	0.5691	0.9028	1.7986	0.4391	1.3537	0.3827	1.1250	1.6558	1	0.9629	1.2312	2.3538	0.8982	0.7807	1.0241	0.4024	0.8089	0.6895	0.7165	1.2427	0.9614	0.8638	1.3960	0.8872	2.3840	1.2738	1.2887	0.7829	0.7300	0.9423	0.7608	0.7160	1.0244	0.6040	0.7730	0.5589	0.9956	1.0085	1.4887	0.7430	1.3335	0.2765
caprate (10:0)	Capric acid	1.0352	1.2166	1.5812	1.0247	1.4801	0.9739	1.0624	1.6530	1.3378	0.8415	1.0011	0.8979	0.9976	1.4695	1.1825	2.2224	1.2395	2.5039	0.8643	2.3773	1.8865	1.4273	1.5216	1.0209	1.1496	1.2590	0.9503	0.8411	0.9616	1.7140	0.7369	1.4498	0.7629	0.7997	3.1651	0.8731	0.8426	0.6726	1.7684	1.5652	0.6955	0.9078	2.1029	1.4285	1.0609	0.7348	0.7478	0.4410	0.6828	0.9381	0.7507	0.9216	1.1163	1.4388	1.1724	0.9476	1	1.4614	0.9998	0.7094	0.6829	0.7891	1.3532	0.6063	1.2497	0.6372	0.4474	0.7889	0.6882	0.5488	0.7767	0.6422	0.5465	1.1155	1.0668
caproate (6:0)	Caproic acid	0.9809	0.7304	0.5709	0.8914	1.0789	0.9441	0.9615	1	0.9236	1.0839	1.4953	0.5709	1.3165	0.8513	0.9094	1.1632	1.0330	0.9263	0.9290	0.8842	1.0757	0.5709	0.5709	1.1054	0.9345	1.4844	0.7764	1.1158	0.8654	1.5755	0.8955	0.9385	0.9385	1.8298	1.9454	0.8849	0.9225	1.2255	1.1448	1.1591	1.5566	1.1381	4.6641	1.4056	1.0919	0.7455	1.1697	0.5709	0.7627	0.9665	1.0069	1.4570	1.5502	1.0928	1.3336	0.8066	0.9985	1.1246	0.9877	1.2848	0.9841	0.9295	0.9291	0.5709	1.3203	0.7146	0.9546	0.5709	0.7190	1.2132	1.5814	1.2360	0.9089	0.5709	0.5709
caprylate (8:0)	Caprylic acid	0.6127	0.9296	1.1718	0.6482	1.8285	1.0700	0.9214	1.4690	1.4548	2.4797	1.2549	0.6621	1.1532	1.4254	1.5445	1.1992	2.6538	0.9527	0.6810	1.0653	1.4898	1	1.2143	0.9147	0.8459	1.7114	0.9477	0.8102	0.9186	1.1553	0.5015	1.0935	0.7060	0.7776	2.6497	0.6350	0.5649	1.1114	1.8444	1.3163	0.8567	1	1.5524	1.0787	1.0088	0.8636	0.6708	0.5052	0.7860	1.1913	0.6701	0.9367	1.5383	1.2819	1.3293	1.0441	0.8004	2.5789	0.9495	1.1401	1.1068	0.5085	1.4482	0.8591	1.9998	1.1050	1.8798	0.5633	0.8622	0.5405	0.8287	0.3895	0.4567	0.9409	0.9570
carboxyethyl-GABA	N-Carboxyethyl-gamma-aminobutyric acid	0.9733	1.0808	1.1231	0.8218	0.9253	1.0229	0.8580	0.7844	1.1800	1.7479	1.2798	0.9127	0.8143	0.8424	1	0.8515	0.8676	1.0006	0.7462	1.1831	1.4092	0.9602	0.9914	0.7921	0.8875	0.8760	0.6490	1.1150	1.1740	1.0692	0.9493	0.8712	0.8262	1.0565	0.6274	1.4122	0.9749	1.2390	0.9477	0.6550	1.0385	1.0277	0.8665	0.9748	1.1244	1.5054	0.9395	1.2907	1.3154	0.9693	1.1966	0.9603	1.1745	1.0872	1.0601	1.2718	0.9778	1.0692	1.1007	1.0602	0.4645	0.8106	1.0941	1.0099	2.2020	1.0389	1.4499	0.9400	0.9486	1.4678	0.9559	1.1569	1.1438	0.9997	0.7752
carboxyibuprofen	Carboxyibuprofen	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
carnitine	Carnitine	0.8488	0.7540	0.7792	1.0727	1.0538	0.9240	0.7492	1.0233	1.0298	1.0482	0.8715	1.0280	0.8750	0.8979	0.7895	0.9197	1.1767	0.7936	1.0934	0.8807	0.9043	1	0.7749	0.9294	1.0671	0.9195	0.8462	1.0634	0.8822	1.0685	0.9415	0.9405	0.9015	0.7662	0.6608	1.0657	0.9853	0.8653	1.1109	0.9687	1.0264	1.0055	0.8025	1.1063	1.0476	1.0465	0.9619	1.1555	1.3334	0.9544	0.9712	1.0079	1.3244	1.1834	1.0078	1.0592	1.2035	1.0167	0.9608	1.1445	0.9012	1.1905	0.9529	1.3110	0.9689	0.9121	0.8202	1.0883	1.1212	0.9172	1.1071	1.0928	1.4612	1.1866	1.0711
catechol sulfate	Catechol sulfate	0.1745	0.3672	3.4763	0.4405	0.8704	1.4782	1.0074	0.8895	0.9007	2.4900	0.8695	0.6573	0.2909	2.4461	0.8900	1.8210	1	3.0189	0.7195	0.8690	3.3359	0.8038	0.8145	2.0799	0.6019	0.2174	0.4839	3.5591	0.5667	3.6708	0.5156	0.4569	0.3263	0.2958	0.7382	3.7300	1.3024	1.4156	0.3899	0.6182	0.5359	1.7310	1.0947	1.3212	0.5681	2.0433	1.6036	1.5648	0.4532	1.4422	0.2756	1.7076	1.1691	0.5558	0.7413	1.8404	0.7533	3.2256	1.1639	0.1549	0.3277	0.7701	1.5323	1.5607	14.6815	2.0614	4.6123	1.4520	1.3052	1.3227	0.8826	1.4153	2.1464	2.2038	0.4059
ceramide (d16:1/24:1_ d18:1/22:1)*	Cer 40:2;O2	1.2699	0.8752	1.5531	1	1.6409	0.8297	1.4166	1.0714	1.5146	0.2782	0.8002	1.1758	0.8944	0.8664	0.5815	0.7254	0.5083	1.7519	0.9689	0.6304	0.7816	1.0985	0.8351	1.0816	0.8081	1.1230	1.0199	0.9829	0.7869	1.1301	2.6738	0.6214	1.1215	0.5468	1.0952	0.5244	1.3832	1.2506	1.5775	0.9946	0.7148	0.9159	1.4362	0.6493	1.1509	0.9744	1.4653	0.9326	1.7931	0.7330	1.5912	1.2686	1.1282	0.8524	0.7285	2.2059	0.6732	0.9595	0.6470	1.1010	0.9120	0.8907	1.2980	1.3561	0.8463	1.5752	0.6307	2.3646	0.7215	0.9337	1.6984	1.3318	1.1991	1.2391	1.5640
ceramide (d18:1/14:0_ d16:1/16:0)*	Cer 36:1;O2	1.0139	0.9610	1.2435	1.0251	1.3751	1.2323	1.6394	0.9210	1.0768	0.5850	1.0463	1.1606	0.7615	1.0910	1.0121	0.9697	0.4897	1.3066	1.1752	0.9147	0.9256	1.1334	0.9886	1.2591	0.7806	1.1084	1.4091	0.9332	0.9087	1.1784	1.7625	1.1302	0.8266	0.6196	0.9111	0.7408	1.5463	1.3074	0.8514	0.9607	0.7593	1.2234	1.6901	0.6995	0.8834	0.9754	1.3490	0.9308	1.1059	0.7316	1.1354	0.9109	0.8365	0.9243	0.8492	2.5213	0.9806	0.9433	1.2582	0.8531	0.9011	0.7301	1.3396	1.1825	0.7055	1.3527	1.0714	1	0.8568	0.9466	1.8058	1.2353	0.7192	1.1844	1.0313
ceramide (d18:1/17:0_ d17:1/18:0)*	Cer 35:1;O2	0.6966	0.6776	0.7278	1.0017	1.4104	0.8930	1.8778	1.1040	1	0.3425	1.3866	1.0612	0.5861	0.8481	0.9573	0.7074	0.5264	1.1752	1.5361	0.7562	0.6508	1.6682	0.5026	1.4952	1.3339	1.6752	1.5275	0.6893	0.6980	1.3618	1.8761	1.3999	1.3784	0.7486	0.6425	0.2478	0.7338	0.6461	0.8719	0.7983	0.8517	1.1069	0.9725	0.8507	0.8208	1.4070	1.3524	0.6199	1.3124	0.5706	1.4773	1.1293	0.7959	0.8094	1.0029	2.1767	0.6213	1.5282	1.1834	1.3547	1.0880	0.5731	1.3664	0.7216	0.3551	1.1564	0.3831	0.9555	0.7615	1.0447	2.2170	1.0925	1.1801	1.0395	1.4250
cerotoylcarnitine (C26)*	CAR 26:0	0.5465	0.7818	0.6429	0.9154	0.6016	1.0067	0.8387	1.2394	1	1.1068	0.8023	0.7902	0.6954	1.3128	1.3196	1.2656	0.5343	1.0226	1.1049	0.8514	1.1189	0.8655	0.9015	0.6058	0.6753	0.4250	0.5905	0.8115	0.6909	0.8172	0.8442	0.7368	0.9829	0.6869	1.0018	1.2863	1.0533	0.9630	0.5147	0.6865	0.7572	0.8105	0.6753	0.8728	0.6077	2.1428	0.8634	1.1629	1.4368	1.0360	1.8369	0.7519	1.0539	1.1946	1.3324	1.9308	1.2065	1.3847	1.3909	1.7148	0.7226	1.2554	1.1403	1.3917	1.2161	0.6936	1.6346	1.0586	1.4682	1.2221	1.0463	1.5506	1.0653	0.8656	1.5168
Cetirizine	Cetirizine	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C-glycosyltryptophan	C-Glycosyltryptophan	0.6377	0.8200	1.0853	0.5102	1.2082	1.1663	1.2678	0.4570	1.2145	1.6845	0.8086	0.9675	1.2755	0.8388	1.5835	0.9493	0.6006	1.1036	1.0581	0.9014	1.0998	1.0594	1	0.8260	0.9880	0.9580	0.9754	1.1931	1.1458	1.0745	0.9954	0.8714	1.4689	0.8725	1.2154	1.1839	0.7243	0.6374	0.9608	0.8264	0.8241	0.8710	0.9027	0.8284	1.0758	1.5352	1.4917	1.4779	1.2165	0.8542	1.1362	1.1621	1.4173	1.4050	1.2137	1.5266	0.8746	1.4401	1.3892	0.8148	0.4813	0.8901	1.2389	1.3352	1.1611	1.1372	0.9404	1.1575	0.9008	0.8284	0.9831	0.9015	0.9476	0.8282	1.0827
chenodeoxycholate	Chenodeoxycholic acid	1.5456	0.2836	0.7786	1.1616	1	1.2832	1.1107	1.1533	0.6771	1.6777	0.5482	0.9272	1.0354	0.3976	0.5325	1.1432	1.5237	0.5789	1.9781	0.6860	1.1794	0.4762	0.8691	0.3122	0.8316	1.4404	0.6612	1.3632	0.6963	1.1294	0.9192	0.5125	2.1271	1.0993	0.5849	0.6599	0.5590	1.6233	1.1578	1.0301	0.7422	0.3616	6.2514	3.5107	2.2159	0.5049	1.4834	0.8610	0.5211	1.5320	0.9160	0.7555	1.4882	2.1135	0.5778	0.8867	1.0146	1.4595	0.9135	3.7580	0.7469	0.9300	2.3010	1.0237	0.5589	1.6761	0.8268	1.4043	0.9064	1.8415	2.4072	1.6484	0.9176	1.1153	0.7198
chiro-inositol	1D-chiro-Inositol	0.1195	0.4838	5.1023	0.1195	0.1195	3.1428	1.7285	0.1195	6.1956	0.1195	1	0.1195	0.1195	0.1195	0.1195	0.1195	0.3593	2.5542	0.1195	0.1195	6.5712	0.1195	0.1195	0.9180	0.1195	0.1195	0.1195	0.9187	0.1195	0.1195	0.1195	0.1195	0.1195	0.1195	0.1195	0.1195	0.1195	0.1195	0.1195	0.1195	0.1195	0.1195	0.1195	0.1195	0.1195	0.1195	0.1195	0.1195	0.1195	0.5414	0.9534	0.6294	0.6372	0.1195	0.1195	0.6875	0.1195	0.1195	1.8070	0.1195	0.1195	0.1195	0.1195	1.6843	0.1195	0.1195	3.0805	0.1195	0.1195	0.1195	0.1195	0.1195	0.1195	0.1195	3.9654
cholate	Cholic acid	2.0464	0.5826	0.5801	0.8203	0.3589	2.9301	1.0567	2.3527	0.4415	9.9191	0.1721	0.7502	1.6442	0.4238	1.2907	1.0715	0.4541	0.5436	0.1721	0.7119	0.6161	0.5787	0.2207	0.5415	1.2485	0.7157	7.0097	0.6827	0.4303	0.7208	1.2728	0.5661	1.9490	0.4464	0.1936	2.3679	1.6779	33.7716	5.1076	0.5194	0.9550	0.6825	103.6087	21.7050	2.0694	0.1721	0.9764	0.8994	0.5357	0.9702	0.1721	0.9088	1.0138	0.6749	2.0926	0.4644	1	0.4352	16.4956	0.9571	1.3731	2.4048	5.4277	1.7149	0.1721	4.2357	7.5930	1.9010	2.8572	1.4310	2.1061	3.2252	2.8184	5.7576	0.6713
cholesterol	Cholesterol	1.0452	0.8394	1.1879	1.6465	0.9821	1.3834	1.0724	0.7841	1.2310	1.1137	0.9588	0.9553	0.8079	1.5144	0.9941	1.7649	0.6913	1.0993	1.0035	1.4334	0.8945	1.2661	0.8213	0.7739	0.8169	1.1489	0.8471	1.0898	1.0429	1.2322	1.1681	0.8544	1.1431	0.7101	1.0510	0.9625	0.8329	1.0696	0.7291	0.8228	2.1838	0.9209	1.1319	0.9598	0.8868	1.2137	1.7474	0.7886	1.1571	0.8312	1.3123	0.8797	0.8204	0.9397	1	1.5643	0.9018	1.4332	1.4580	1.5801	0.9065	0.8284	1.0179	1.1343	0.8627	0.8772	0.6839	0.8760	0.8475	0.9793	1.1937	1.1178	1.0641	1.1468	0.7744
choline	Choline	1.0488	0.8997	1.0663	0.8676	0.7403	1.1068	1.3394	1.0071	1.1687	0.9884	1.0885	1.1417	0.9808	0.9126	1.1377	1.1427	0.7700	1.1073	0.7800	1.0775	0.8917	0.8886	1.0194	0.7509	0.7970	0.7064	0.8522	1.1635	1.0892	1.2262	0.9864	0.8973	0.9176	0.7538	0.8796	0.8224	0.9099	1.0874	1.0837	0.7591	0.8305	1	0.8968	0.9532	0.8667	1.1792	1.2531	1.1330	0.8750	1.0607	1.1796	1.2242	1.1141	1.0906	1.3570	1.0429	0.8879	0.9012	1.3374	1.3066	1.0809	0.9540	1.2283	0.9885	0.9636	1.1612	0.8966	1.0313	1.0018	1.0758	0.8637	1.1091	0.9509	0.9189	0.9628
choline phosphate	Choline phosphate	0.6952	1.0806	1.3642	1.2183	0.7097	1.0298	0.9761	1.1227	1.2179	0.8774	0.9808	0.8605	0.9490	0.9236	1.3352	1.8349	0.9716	0.7925	0.7197	0.9984	1.0547	1.1968	0.5888	1.3423	1.0904	1.0748	0.9592	0.6782	1.2352	0.9498	1.1106	0.6690	0.5478	0.8395	0.6781	1.5735	0.9461	1.2077	0.8656	0.8580	1.5103	1.1816	0.9923	1.3995	0.8282	1.2733	1.1289	1.2068	1	1.0907	0.8082	1.2603	0.9276	0.7272	1.3515	1.2566	0.9232	0.6266	0.8702	1.0996	0.9408	1.3910	1.4385	1.0884	1.0467	0.9247	1.0656	0.9389	1.0561	1.4109	0.9597	1.0900	1.1427	0.8871	0.8824
cinnamoylglycine	Cinnamoylglycine	0.1893	0.9004	8.6901	0.3939	2.3780	0.1477	0.2686	0.5171	1.9570	9.5805	5.2334	0.0492	0.0677	1.3267	2.5396	6.2708	3.9402	7.0526	0.4008	1.8726	6.9103	1.0488	3.5533	0.6515	0.1331	0.3671	0.6959	0.9719	1.7096	1.0369	2.2940	0.1875	0.2670	0.3551	0.4287	2.3042	1.2984	0.6234	1.1613	0.5429	0.5800	1.3348	0.1883	6.3778	0.0352	1.1263	1.5882	0.8650	0.3050	1.6933	0.5459	1.6277	1.4462	0.6436	0.0298	1.5480	0.0298	0.0430	0.9354	0.2846	0.7709	0.0298	2.2186	0.9312	0.8001	0.3241	2.9499	1.0281	1.2000	1.1714	0.0298	0.0791	1.7424	3.0035	1.0406
cis-4-decenoylcarnitine (C10:1)	CAR 10:1	0.7913	1.2077	0.5209	0.5738	0.8190	1.2894	1.1080	1.9257	1.0610	1.7015	1.3546	0.6328	0.8251	1.2013	1.0149	0.6978	1.2635	0.4344	0.8749	1.0700	0.6765	1.1274	0.5031	0.7492	1.1548	1.3294	0.7524	0.6349	0.7294	0.9781	0.6715	1.2951	0.7271	0.7513	1.0589	0.5622	0.4389	0.8089	1.2759	1.0797	0.5447	0.8839	1.5797	1.0860	1.0257	0.9839	0.8633	1.5091	1.0088	1.5270	1.3809	1.0954	1.7434	1.4596	1.5763	0.8818	1.1665	1.4496	0.9388	1.2600	0.8458	1.3406	0.6756	0.8433	1.2050	0.9272	0.5626	0.6621	0.6358	1.0784	0.5270	1	1.1218	1.4124	0.9108
citrate	Citric acid	0.8826	1.1812	0.9697	0.9101	0.9032	0.8552	0.8427	1.0587	1.0853	1.0838	1.0187	0.7016	0.8131	1.3040	1.2249	1.1525	1.0292	1.0869	1.0126	1.0815	1.2183	1.0675	0.9669	1.0494	0.9788	1.1905	0.9127	0.8747	1.0085	0.7680	0.9613	1.0237	0.9826	1.0059	1.3009	1.2149	0.8637	0.9637	1.0107	1.3503	0.8708	1.1386	1.0935	0.8770	0.9058	1.0069	0.8299	0.9204	0.8269	1.0756	0.9908	1.1802	1.0896	0.9640	1.0977	0.7822	1.0340	1.0614	0.9973	1.1366	0.7841	0.9248	1.0223	0.8683	0.8943	1	1.0706	0.8301	1.0366	0.8033	0.9406	0.8373	0.8776	0.9768	1.0188
citrulline	Citrulline	0.7619	0.9210	0.9481	0.8093	0.7604	1.0262	1.0113	0.9505	1.0831	1.3108	0.9074	0.9830	1.0148	1.0535	1.1982	1.1190	0.8605	1.0175	0.8535	0.8053	0.9365	0.8588	1.1476	0.6035	0.7649	0.7689	0.8779	0.9834	1.1650	0.9286	0.9716	0.7608	1.1475	0.7753	1.0149	1.0244	0.8672	0.9219	1.0820	0.9125	0.7982	0.9531	1.0111	0.9159	1.1334	1.0859	1.1591	1.0822	1.1062	1.0070	1.0031	1.0645	1	1.1928	1.1050	1.0419	1.0020	1.0006	0.8686	1.0929	0.8319	0.9641	1.2210	1.0493	1.0325	1.0889	1.4735	1.0292	0.9442	0.9184	0.9642	1.0102	0.8760	0.9785	0.8987
corticosterone	Corticosterone	2.4789	2.2336	0.8647	0.4404	0.1302	0.1302	0.3897	1	1.8145	0.9775	0.1302	0.1302	0.8260	0.1302	0.2884	0.1302	1.1291	0.6112	0.1302	5.1300	1.2922	1.4595	0.8380	0.1302	0.1302	0.9438	0.4215	0.3212	5.2002	1.2674	0.3792	0.4084	0.9735	1.8309	0.3726	0.7728	1.4994	11.0402	0.6411	2.6366	0.4588	1.3332	1.8217	0.1302	1.5269	0.6327	1.4565	0.1302	0.1302	1.1537	1.2929	0.4973	0.9728	1.6870	0.1302	0.4673	0.1302	0.3877	0.1302	0.7775	1.2180	0.4579	5.5633	0.5815	2.6167	1.1700	1.4849	1.6754	0.9217	1.0123	1.0829	0.1302	0.9506	1.7323	0.1302
cortisol	Cortisol	2.8431	2.9289	1.9466	0.7015	0.6083	0.5796	1.1181	0.9275	1.5155	0.7320	0.7077	0.6674	1.2785	0.4302	0.5801	0.7407	0.8191	1.3036	0.7035	3.2222	1.1542	1.4281	0.8469	0.5719	0.9670	1.2105	0.6378	1.2479	3.0396	0.9731	1.2732	0.8694	1.5410	2.1058	0.6315	0.8204	2.6090	3.2258	0.9981	2.2345	0.7778	1.1945	1.8072	0.9788	1.2829	0.8791	1.7024	1.2095	0.6460	1.3530	0.8757	1	0.8882	1.2065	0.4687	0.6953	0.5085	0.7136	0.4920	1.4037	1.0881	0.8343	2.5537	1.0076	1.8249	1.4573	1.8423	1.3646	1.0671	1.0341	0.9687	0.7079	0.9546	1.3957	0.3582
cortisone	Cortisone	1.4614	1.2865	1.2502	0.8534	0.6935	0.5347	1	1.2033	0.9447	0.6417	0.6553	0.5602	0.9126	0.6532	0.7807	0.9768	0.9666	1.0393	0.6947	1.3826	1.1380	1.0784	0.9437	1.0308	1.0042	1.1806	1.0110	1.1792	1.4733	0.9294	1.1538	0.9729	1.1746	0.8883	0.7840	1.1539	1.0863	0.9709	0.9158	1.5966	1.0026	1.1439	1.1736	0.9449	1.3996	0.7891	1.2456	0.9628	0.8735	1.1701	0.8105	0.9948	1.0772	1.0150	0.4859	0.8381	0.6410	0.8118	0.7094	1.0315	1.0603	0.9916	1.5187	1.1311	0.8355	1.2360	1.1537	1.1761	0.8664	1.3781	0.6587	0.8115	1.3150	1.1770	0.6488
cotinine	Cotinine	0.1820	0.1820	0.1820	0.2588	0.1820	0.1999	0.1820	0.1820	0.1820	0.1820	0.1820	0.1820	0.1820	0.1820	1.3415	0.1820	1.0177	0.1820	0.1820	0.1820	0.1820	0.1820	0.1820	0.1820	0.2918	0.1820	0.1820	0.1820	0.1820	0.1820	0.1820	0.1820	0.1820	0.1820	0.1820	0.1820	0.1820	0.1820	240.2057	0.1820	0.1820	0.1820	0.1820	0.1820	0.1820	0.1820	0.1820	0.1820	0.1820	0.1820	24.4910	0.1820	0.1820	63.2136	0.5179	0.1820	0.1820	0.1820	0.1820	0.1820	0.1820	0.1820	21.4451	0.1820	32.0371	0.1820	0.1820	0.1820	0.4615	1	0.1820	0.1820	0.1820	0.1820	0.2288
cotinine N-oxide	Cotinine N-oxide	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
creatine	Creatine	1.4758	0.7035	1.0736	1.6152	1.3920	1.2029	0.6597	0.9927	0.9977	0.7187	1.2437	1.4195	0.8024	0.9676	0.9843	1.3014	1.2644	0.9693	1.0870	0.6155	0.6171	1.7310	0.7678	0.9137	1.3379	1.1009	1.0560	1.2948	1.6397	1.3977	1.1738	1.2428	1.1345	1.2702	0.5182	1.4806	1.4065	1.0069	1.1916	1	1.2282	0.8771	0.8087	1.7067	0.9132	0.8786	0.9852	0.6969	0.8002	0.8722	1.0465	0.8563	0.9424	0.9577	0.7396	0.9198	0.9078	0.8480	0.9199	1.3960	0.8125	1.0246	1.1827	0.9650	0.8303	0.7843	0.5026	1.0835	0.9325	1.3184	1.8606	0.9426	1.4856	1.0576	1.1570
creatinine	Creatinine	0.8504	1.0586	0.9141	0.9120	0.9754	0.9332	0.9881	0.9025	1.1206	1.0305	1.0445	0.7867	0.9355	0.9346	0.9439	1.0363	0.9207	1	0.8980	1.0293	0.9208	0.9627	0.8534	0.9325	1.0082	0.9646	1.0823	0.9939	1.0210	0.9369	0.9545	0.8602	1.0130	0.8977	1.1315	0.9753	0.9805	0.9814	1.1577	0.9646	0.8716	1.0309	0.9000	0.8941	1.1673	1.2455	1.1844	1.2060	0.9688	1.2691	1.1747	1.2926	1.2849	1.1033	1.1791	1.0708	0.9441	1.1346	1.2972	1.1666	0.9894	1.0561	1.2689	0.9998	1.0013	0.9871	1.2725	1.1366	1.1550	1.1814	0.9598	1.0824	0.9486	1.1479	1.1511
cys-gly_ oxidized	CYS-GLY, oxidized	1.1424	1.2380	1.0759	0.5780	0.8062	0.6475	0.6445	1.1072	2.6005	0.9337	0.9283	0.3978	0.8707	0.8557	1.3515	1.3302	0.5634	0.6807	0.5550	1.5537	0.8898	1.6378	0.5060	0.6762	1.2622	2.4906	1.4300	0.4363	1.2705	0.5266	1.2743	0.7986	0.9181	0.4776	1.1023	1.4640	0.9853	0.8197	1.1434	0.9219	0.3859	0.5971	0.8710	0.9413	1.2532	1.2439	1.5826	1.5164	1.0363	2.9378	1.2097	1.2387	2.3767	1.8645	1	0.8599	0.5285	2.4201	0.9145	1.6940	1.1564	1.1924	1.1505	0.5659	0.9298	1.1663	1.2464	0.7204	0.8615	1.2214	0.4612	1.0060	0.6666	0.8263	1.5664
cystathionine	Cystathionine	0.5859	1.6575	0.7817	1.1901	0.5149	1.0216	0.9962	1.9621	0.5673	2.5271	0.7606	0.8065	0.7449	1.2595	0.2136	0.4437	1.2170	0.3392	1.4550	0.7679	0.6144	0.8438	4.3171	1.0038	0.6603	0.3801	1.6044	1.5560	0.2136	1.3044	1.1383	0.6532	1.2758	0.4414	0.6485	4.0748	1.3059	0.7797	0.9088	0.6144	0.4628	0.6570	0.5971	1.2832	1.1412	0.7352	2.8061	1.5584	1.2113	1.0856	0.9126	1.1827	1.1622	0.3797	1.8041	3.2948	0.8218	0.7860	1.7036	0.9534	0.5489	0.8680	1.6791	1.1728	1.1423	1.6229	26.1506	0.7566	0.7666	2.1099	1.4538	0.9742	1.5597	0.9357	4.4963
cysteine	Cysteine	0.8254	0.9380	0.9431	0.8864	0.7951	0.6951	0.6485	0.8952	1.1427	1.0797	1.2305	0.7968	0.9805	0.6950	0.9176	0.8218	1.1613	1.1941	1.2002	0.9842	1.4777	0.9576	0.8678	0.7894	0.9480	0.8130	0.8269	1.1289	1.4272	1.2321	1.0343	0.7573	0.8537	0.6829	1.4378	1.3733	0.9043	0.8491	1.0570	0.8514	1.2669	1.0927	0.9089	1.1377	0.9574	1.2044	0.8750	1.0932	0.7655	1.1507	1.1476	1.1232	1.2232	1.0288	0.9363	1.0632	0.9403	1.5009	1.2082	1.1723	0.9384	0.9065	1.2991	1	1.0785	1.7008	1.2771	0.9147	0.8686	1.3673	0.8270	1.0407	1.1214	1.2841	1.2720
cysteine-glutathione disulfide	S-Glutathionyl-cysteine	2.0691	1.6534	2.4815	0.7059	0.7150	0.5154	1.9771	1.3392	1.3397	1.1813	1.6433	0.7896	0.8432	3.3716	3.8477	0.6266	1.3759	0.7089	0.9196	2.2029	1.7481	0.0713	0.3020	0.1869	0.3054	0.5774	0.5999	0.0747	3.5520	0.8567	1.1159	1.7009	2.2236	0.5717	0.2266	3.6833	1.3269	0.6274	1.3829	1.5086	0.1998	0.7799	1.6901	1.5267	1.4434	1.9486	1.2141	1.7972	0.2142	1.4031	0.4225	2.5945	3.3446	1.9241	0.3128	1.1171	0.8039	5.1390	0.1353	0.4348	0.7962	0.9076	1.5462	0.1840	0.8485	0.8616	1.0078	0.5426	0.9693	0.8919	0.7098	1	1.1557	0.5194	1.3899
cysteine s-sulfate	Cysteine-S-sulfate	0.4284	0.9233	0.7128	0.4952	0.8422	0.9281	1.5346	1.5960	1.2295	1	1.1442	1.2279	1.3878	0.8388	1.1112	0.7488	1.2371	1.5163	2.7366	1.1318	1.0055	0.8101	0.9168	1.2663	1.3258	1.2053	1.0767	1.7282	2.1589	1.0296	1.2902	1.2624	0.8100	0.5555	0.5420	0.6072	0.6307	0.7604	0.8297	0.4328	0.6046	0.4682	0.6361	1.0456	0.6588	0.6975	0.7111	0.7815	1.7843	0.9267	1.6260	1.0429	1.0307	1.8541	2.2522	0.5785	0.7718	3.1969	2.0572	2.4274	2.3980	1.0664	0.7344	1.0586	0.5611	1.0403	0.9447	1.1503	0.9044	1.0718	0.5433	0.8886	0.6704	0.5608	0.6030
cysteinylglycine	Cys-Gly	0.3736	0.3736	0.3736	0.3763	0.3736	0.3736	0.3736	0.3736	0.8625	0.3994	1.6780	0.3736	0.3736	0.3736	1.1178	0.8619	1.1555	0.3736	1.2895	1.5104	1.3927	1.1353	0.3736	0.3736	1.3642	1.0461	0.3736	0.3736	1.1034	0.3736	1.5117	0.3736	0.3736	0.3736	1.1067	0.8889	0.9868	0.3736	0.6268	0.3736	0.3736	0.4663	0.6596	0.3736	0.6427	0.4964	0.7147	0.8818	0.5079	1.3256	0.8494	0.4170	0.3736	2.2782	1.0772	0.8591	0.3736	4.4587	1.8954	2.4344	2.4467	1.0567	0.8529	0.3990	0.5944	1.6140	0.6403	0.3736	0.3736	1.8890	0.3736	1	0.4174	0.3736	1.3270
cystine	Cystine	1.1203	0.9367	0.9722	1.4146	0.8609	1	1.4990	1.0100	0.7673	1.0418	1.4156	1.9652	1.0398	0.5103	1.3774	1.1947	1.3253	0.7379	0.8842	0.7896	0.8797	0.8758	1.0915	0.9554	0.7516	0.8295	1.2262	1.5006	0.7949	1.0424	1.6217	0.7387	0.7974	0.7142	1.0808	0.7878	0.9829	1.0068	1.0221	1.1506	0.7118	1.3522	1.0880	0.6426	1.5741	0.8831	1.2401	0.9891	1.4324	0.9032	1.3484	1.1453	0.9895	0.6777	1.4433	1.7716	1.1629	1.1496	1.0677	1.1375	0.9709	0.8489	0.7224	1.3986	0.7034	0.8923	0.7233	1.4792	0.6891	1.2421	1.5573	0.9231	0.8157	0.5408	0.8084
cytidine	Cytidine	0.9008	2.4218	2.3942	0.4201	0.7341	0.7683	1.6998	0.3609	1.5875	1.3405	1.2359	0.9287	2.2697	1.1245	2.8104	0.5807	0.9745	1.1408	0.5811	2.6557	1.5812	0.9582	1.0448	0.6660	0.9682	0.5589	0.3609	0.3609	1.4596	1.1834	1.5369	1.0218	0.9241	0.7375	0.3609	1.8457	1	0.3609	0.9222	1.0569	1.5586	1.0450	1.9215	1.8616	1.4836	1.8091	1.6016	2.1910	1.1459	0.6591	0.8580	0.5189	0.3609	1.0404	1.4171	0.8143	0.5228	1.5507	0.5762	0.4662	0.8949	0.6671	0.5863	0.5959	22.0790	0.9495	0.6041	1.5965	0.9330	0.9286	0.6855	0.6024	0.9338	0.3609	1.3505
cytosine	Cytosine	0.4199	0.6025	1.1537	0.2962	1.2516	0.4774	1.0090	0.2962	0.2962	0.8631	1	0.6459	0.2962	0.2962	0.5790	0.2962	0.2962	0.2962	0.2962	0.7951	1.2255	0.6507	1.1148	1.0701	0.2962	0.2962	0.2962	0.2962	0.2962	1.7564	0.2962	0.8046	0.2962	0.2962	0.2962	0.7502	1.8824	0.9363	0.2962	0.2962	0.2962	0.5246	0.6879	1.1154	0.2962	0.2962	0.3631	1.1796	0.2962	0.2962	0.2962	0.2962	0.2962	1.7019	0.2962	2.1685	1.6166	1.3118	0.2962	1.0679	5.5475	0.4719	0.8646	3.1230	15.0761	2.8810	0.9339	0.2962	0.2962	0.2962	1.1982	0.7357	0.4635	0.2962	0.2962
daidzein sulfate (1)		0.6545	0.6545	0.6545	1	0.6545	1.8071	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.6545	0.7059	2.3504	0.6545	0.6545
daidzein sulfate (2)		0.2525	0.6460	3.3616	1.2113	0.2525	4.2734	0.2525	0.2525	0.2525	0.5509	0.2525	0.2525	0.2525	0.2525	0.2525	0.2525	0.2525	0.2525	0.2525	0.2525	0.2525	0.2525	0.2525	0.2525	0.2525	0.2525	0.2525	0.7887	0.2525	0.2525	0.2525	0.2525	0.2525	0.2525	0.2525	0.2525	0.2525	0.3403	0.2525	0.2525	0.2525	0.2525	0.2525	0.6075	0.2525	0.2525	0.2525	0.2525	0.2525	0.4305	1.2653	0.2525	0.2525	0.2525	0.2525	1.7538	0.2525	0.2525	0.2525	0.2525	0.2525	0.2525	1.7000	1.5722	0.2525	0.7466	0.2525	0.2525	0.2525	0.2525	0.2525	1.2585	6.2264	0.4165	0.2525
decanoylcarnitine (C10)	CAR 10:0	1	2.1682	0.2757	0.7688	0.8715	0.8701	1.0336	4.1577	1.4537	1.1609	1.5698	0.6009	0.9108	2.2203	0.9939	1.1018	1.3940	0.6710	0.6574	1.8443	0.7713	1.7709	0.6943	1.0380	1.2952	2.3468	0.7898	0.3809	0.8074	1.1856	0.6797	1.8469	0.9650	0.7549	1.7785	0.5155	0.6281	0.5061	1.7811	2.2371	0.3429	1.2998	3.0996	0.9151	1.2566	1.0947	0.7098	0.8516	0.9264	2.0082	1.7515	1.3600	1.6895	0.9437	1.5037	0.9064	0.9188	1.1553	1.0633	0.9049	0.7057	1.2199	1.1803	0.8285	1.3855	0.8246	0.7099	0.8576	1.0341	0.4555	0.4625	0.8425	1.3840	3.3178	1.7493
dehydroisoandrosterone sulfate (DHEA-S)	Dehydroepiandrosterone sulfate	0.9410	0.6420	1.2224	0.5395	1.0054	1.1867	1.7886	0.8565	0.9339	0.3437	0.4629	0.5041	1.9648	1.2272	0.5455	0.5801	1.5736	1.1803	0.8630	0.9961	1.3701	1.0712	0.6921	1.0469	0.5932	0.8833	1.0886	1.2664	0.8631	0.8036	0.8115	0.7087	0.9938	0.6692	0.5846	0.7439	0.8182	0.4529	0.9365	0.9341	1.0354	0.6514	0.9242	1.0489	2.3846	1.4931	1.8570	1.6512	1.2271	1.2498	1.2661	1.0312	0.9626	1.4123	0.8409	0.6697	1	0.8145	1.0903	1.3160	0.7462	1.0224	1.3189	0.7848	1.1750	1.8133	1.1905	1.4095	1.3928	1.5331	0.2546	1.1198	1.4568	1.3303	0.8246
delta-tocopherol	delta-Tocopherol	1.1420	0.6745	1.8687	0.3099	0.3099	1.8407	0.3099	0.9019	0.3099	0.3099	0.6071	1.1991	0.8452	0.3099	0.9225	0.4384	0.9395	0.3099	1.1374	0.3099	0.3099	0.3099	0.3099	0.3099	1.7156	0.3099	1.4009	1.7930	0.3099	0.8973	1.3104	1.6547	0.6537	0.3099	2.2982	0.3099	0.3099	2.8365	0.3099	0.3099	0.3099	0.8173	0.4125	2.0105	0.6729	0.3099	0.3099	1.3754	1.2984	0.3902	1.6959	1.2906	0.3099	0.6154	1.6964	0.8951	0.7884	0.3099	0.3099	0.6741	1.3676	1.2683	0.3099	0.3099	0.8916	0.3185	0.4879	0.3099	0.3099	2.4179	1.0605	0.3099	0.6467	0.3099	0.3099
deoxycarnitine	3-Dehydroxycarnitine	0.7718	0.8137	0.6655	1	1.0085	0.9266	0.9510	0.9246	1.0182	1.1824	1.2127	0.7545	0.8690	0.7786	0.8287	1.0851	1.0053	0.8450	1.3155	0.8832	0.7126	0.9880	0.6511	0.8620	1.0025	0.7807	1.1043	0.8775	0.7577	0.9764	0.5872	0.9032	0.8315	0.6275	0.6910	1.0981	0.7162	0.7703	1.5180	0.9609	0.6509	0.9137	0.6471	1.0538	1.2101	1.4615	1.0202	1.5810	0.9933	1.0710	1.1160	1.0758	1.4572	0.9693	1.5283	0.9298	1.1597	1.2094	1.0761	1.2187	1.0420	1.1954	0.9650	1.3600	0.7926	1.3275	1.0447	0.9148	1.5196	1.2443	1.0325	1.1053	1.4161	1.2737	1.1930
deoxycholate	Deoxycholic acid	1.9569	1.2127	1.1343	0.7573	0.7132	1.2565	1.9208	0.9421	0.3521	3.5091	1.6900	0.9869	0.8562	0.3831	0.7578	1.0508	0.8164	0.9081	1.6782	0.6272	0.9037	0.4995	0.8523	0.8996	0.5692	0.6485	1.1312	1.5905	0.7360	1.0558	1.5958	0.6090	1.1104	0.8412	0.4071	0.3620	0.6493	0.5371	0.4906	0.8255	1.2329	0.7994	3.2363	0.7774	0.9785	0.7868	1.8092	1.1657	1.3915	1	1.6264	1.8159	1.7459	1.3768	0.7053	1.1887	0.4036	0.5375	0.4026	4.8721	1.2753	0.4297	1.7014	1.3616	1.8139	1.5121	1.2694	1.1138	1.7282	1.4001	0.4285	1.4796	1.8057	1.1211	0.8883
diacylglycerol (16:1/18:2 [2]_ 16:0/18:3 [1])*	DG 34:3	2.8370	2.5785	3.1772	0.2429	0.9288	0.7743	1.0961	0.7860	1.5853	0.2972	0.5028	3.4495	2.0930	0.3702	0.4150	0.1592	1.0365	1.7688	1	1.0515	0.7746	0.8978	0.6525	1.1220	0.5764	1.5615	0.5282	5.1138	2.1531	0.2688	9.7556	0.4679	0.5615	0.6242	1.0123	0.1592	0.7377	1.3891	1.2187	0.8732	0.4714	1.1363	1.7947	0.9156	1.8250	1.5058	2.5250	0.3734	4.0288	1.4104	4.7858	2.2362	0.9813	0.6937	1.6975	3.0247	0.8380	1.1640	1.8621	2.1804	1.9933	0.3812	0.6452	1.8727	0.3695	0.7359	0.2573	1.8538	0.3423	0.8677	1.4211	0.5706	0.8696	0.1592	0.9374
dihomo-linoleate (20:2n6)	11Z,14Z-Eicosadienoic acid	1.5506	1	1.1999	1.2489	1.7437	0.9496	2.1168	1.1245	1.0352	1.3571	1.0805	0.8107	1.4423	0.9705	0.9247	1.5979	1.3538	1.4587	0.7246	1.1005	1.4839	1.2980	1.4986	1.2823	1.5443	1.7759	0.5880	0.9548	0.9419	1.1881	2.2058	0.6930	1.0835	2.1128	2.5289	0.5214	0.6938	0.7052	1.3305	1.2088	0.8195	0.6208	1.3193	0.7739	1.1131	0.7878	1.2262	0.5190	1.0918	0.9358	1.2231	1.2847	0.7102	1.6491	1.2838	0.8829	0.8742	0.9260	0.8593	1.1418	0.8942	0.6453	0.6698	0.8150	0.6176	0.9969	0.7990	1.5111	0.5021	0.5483	0.8102	0.5161	0.8020	0.8644	0.6451
dihomo-linolenate (20:3n3 or n6)	Dihomo-gamma-linolenic acid	1.0222	1.0566	1.1657	1.0480	1.1823	1.0333	1.7277	0.8926	1.1833	0.9018	1.0177	0.7365	1.1920	0.6004	0.8132	1.1648	0.9148	1.3164	0.5580	1.2942	1.1570	1.0261	1.2893	1.4287	1.3319	1.2648	0.6528	1.2307	0.9679	1.1844	1.7402	0.6943	1	1.2325	1.5890	0.5320	0.7904	0.6497	1.1422	1.2256	0.9275	0.7062	1.4445	0.7408	1.0603	0.7116	1.5155	0.5546	1.3802	0.9552	1.1609	1.1197	0.7488	1.3156	1.2204	1.0370	0.8004	0.7835	0.7670	0.9724	0.8441	0.7612	0.5619	0.7795	0.6527	0.7797	0.7149	1.0820	0.5570	0.5091	1.1538	0.5262	0.6326	0.8143	0.8764
dihomo-linolenoylcarnitine (20:3n3 or 6)*	CAR 20:3	0.4175	0.8593	0.7422	0.5687	0.6146	0.9731	0.8414	1.0569	0.8685	1.0008	0.7726	0.8638	1.0088	0.7612	1.4566	0.7296	0.8929	1.8097	0.9965	0.7950	1.0119	0.4475	0.7715	1.0252	0.7643	0.3873	0.5256	1.4672	1.0807	0.8243	0.8860	0.7429	1.2109	0.7771	0.8298	0.8537	0.7590	0.5798	1.4488	0.5303	0.7125	0.6805	1.1867	1.0969	1.4198	1.4092	1.4704	2.2082	2.0587	1.0081	1.2051	1.2460	0.9373	3.1025	2.5403	1.0121	0.9580	1.6563	1	1.7044	1.3662	1.7422	0.7501	2.0594	1.4554	1.1503	0.8586	1.1616	1.0959	1.0402	0.6220	1.5763	1.3445	0.8621	1.8420
dihomo-linolenoyl-choline		0.4823	0.2893	1.5456	0.7373	0.7016	2.2165	2.1352	0.4968	2.5556	1.4970	1.2744	1	1.2148	0.3832	1.3157	0.6973	0.1568	0.9361	0.2347	4.7999	1.4275	2.2202	1.3810	2.0800	0.4279	0.2057	0.8720	3.1172	0.1568	1.2879	1.6285	0.9621	0.9745	0.3757	0.1568	0.2744	1.5967	1.5034	2.5376	0.3067	0.9245	1.0711	2.3560	0.2484	0.6028	1.3633	3.3121	1.0763	1.9353	1.2170	0.4636	0.7326	3.2694	2.0949	2.1664	1.8633	1.0065	0.1568	0.5538	1.4831	1.2399	0.4383	0.4561	1.8704	0.5694	0.6522	0.6214	0.5648	1.1221	0.1568	0.7970	0.7708	0.1952	0.1969	0.5068
dihomo-linoleoylcarnitine (C20:2)*	CAR 20:2	0.6538	0.8913	0.9345	0.7051	0.8609	0.9842	0.7290	1.6058	0.9478	1.6385	0.8249	0.8594	1.0712	1.1517	1.3766	1.0325	1.0837	1.2586	1.0951	0.8779	1.2107	0.6536	0.9653	0.9557	0.8465	0.5474	0.4165	1.0707	0.8994	0.5731	0.9888	0.9379	1.4519	1.1721	1.4147	0.8012	0.5507	0.6008	1.1345	0.6587	0.6400	0.6471	1.2247	0.9630	1.5305	1.7979	1.0506	1.6201	1.4289	0.9718	1.5554	1.1469	1.2545	2.5626	2.0669	0.8653	1.0620	1.6543	0.7282	1.7065	1.0276	1.2201	0.7794	1.8583	1.3582	1.2198	0.9343	1.3242	1	0.9307	0.4900	1.1831	1.3644	0.8239	0.9546
dihydroferulic acid	Dihydroferulic acid	1.5197	0.3802	1.8096	0.7657	0.3802	1.8181	1.5442	0.3802	1.3544	7.7603	0.3802	0.8053	0.3802	0.6147	0.5489	0.7730	1	0.4995	0.5959	0.8479	1.2094	0.3987	0.6011	0.3802	0.4094	0.3802	0.3802	1.0029	0.3802	0.7421	1.3019	0.3802	0.5096	0.3802	0.5528	1.0730	2.1326	1.6685	1.9392	0.3802	0.3802	0.5882	0.5395	1.4175	0.6989	1.2675	0.6316	0.3802	1.0268	1.1400	0.3802	1.4126	0.3802	0.3802	0.9580	0.3802	1.3582	5.5155	0.5545	0.3911	1.3204	0.8209	0.7765	0.3802	83.1813	3.1363	3.4074	0.5657	0.6255	4.6355	8.3528	1.1024	3.2484	0.4569	0.4854
dihydroorotate	4,5-Dihydroorotic acid	0.8653	1.3322	1.3188	0.8250	0.7595	0.5499	1.0301	0.7004	1.1587	0.6532	0.4840	0.4495	1.0233	0.4109	0.8997	0.6325	0.9993	0.9632	0.8000	0.6365	0.5720	0.7728	0.6289	0.4572	0.8779	0.6296	1.6671	1.2142	0.6361	0.9302	0.7346	1.0558	1.3070	1.7544	1.1218	1.0231	0.7789	0.5660	0.9601	0.6797	0.1519	0.7275	1.0528	1.0244	1.8311	2.5330	1.1641	1.6469	1.0868	2.0197	1.3373	0.9676	1.9184	4.2675	1.1255	1	1.2127	1.2225	1.0969	1.1135	1.0963	1.1534	0.7638	0.9822	0.9741	1.1021	1.1846	1.3693	1.1432	1.6995	0.8948	3.0128	0.9126	0.7538	1.4336
dimethylarginine (SDMA + ADMA)	Dimethylarginine	0.7945	1.0189	0.8966	0.9812	0.9897	0.9322	0.9248	0.9939	1.0967	1.1170	1.2176	0.9341	1.0046	0.8095	1.0169	1	0.9114	0.9821	0.9174	1.1579	0.9102	0.9042	0.9643	0.8633	0.7137	0.7613	0.8825	1.0092	1.0175	1.0634	0.9758	0.7883	0.9916	0.7386	1.0182	1.0578	0.9458	0.8438	1.0348	1.0084	0.8514	1.0345	0.9057	0.9491	1.0356	1.2902	1.0690	1.1348	0.9991	1.2099	1.0135	1.1424	1.1085	1.2402	1.0551	1.0883	1.0474	1.2387	1.0218	1.1274	0.7647	0.9031	1.2000	1.0265	1.1579	0.9909	0.9398	1.0243	0.8930	1.0925	0.8694	1.0960	0.9902	0.9999	1.1443
dimethylglycine	Dimethylglycine	0.9797	0.8664	1.0641	0.9075	0.8202	0.9259	1.1863	1.0542	1.6465	0.8144	0.7367	0.7008	1.2077	0.7519	1.0361	0.6651	0.8306	0.7661	0.6338	1.3659	0.7920	1.0203	1.2780	0.9216	0.8520	1.4625	1.0364	1.2532	0.6662	0.8756	0.8685	0.8802	1.0128	1.3124	1.1787	0.9979	0.6568	0.9781	0.7322	0.8768	0.8050	1.2841	1.0016	0.8849	1.2067	0.7394	1.2554	2.0202	1.3668	1.2620	0.8136	1.1827	0.8970	1.0085	0.8881	1.0700	1.5100	1	1.3308	1.0534	1.0381	0.9764	1.0038	1.0476	1.5396	1.0834	0.6087	1.1353	0.8291	1.4354	0.9666	1.0436	1.4889	0.8700	0.9557
dimethyl sulfone	Dimethyl sulfone	0.4090	0.9177	0.9558	0.9264	1.2169	0.6107	1.2275	1.7176	0.6179	1.8771	0.9844	0.9464	0.4740	1.2129	0.9376	0.6066	1.3195	1.2383	0.8988	1.8016	1.3332	0.6516	1.6671	1.7778	0.7141	0.2735	0.5601	0.2735	1.7770	1.0122	0.5215	1.0243	0.4838	0.8408	0.3554	1.2686	1.5285	1.0645	0.4005	1.4879	1.5526	0.8461	1.2707	1.6031	0.6556	0.7039	1.0060	1.1116	0.5908	1.1675	0.2735	0.7500	1.4711	1.0594	0.7354	1.3289	0.4388	0.5122	0.2735	0.6845	0.9258	1.2416	2.0794	1.1901	0.6229	2.4213	3.5063	1.0703	4.9880	1.1723	0.7458	0.9940	0.8638	2.3374	0.7074
docosadienoate (22:2n6)	13Z,16Z-Docosadienoic acid	1.4080	1.0593	1.1774	1.0388	1.6462	1.0272	1.6108	0.9818	1	1.3338	0.9633	0.7721	1.0964	0.8067	0.7696	1.2025	1.2001	1.3303	0.6679	0.9359	1.0234	1.2588	1.2621	0.8648	1.1644	1.4089	0.5070	0.8655	0.9005	1.0073	1.6823	0.6620	1.0221	1.5734	2.2915	0.4988	0.7367	0.6750	1.1527	1.2294	0.7690	0.3695	1.0425	0.6882	1.3349	0.7887	0.9586	0.5559	1.0450	0.8269	1.3011	1.0629	0.8645	1.7490	1.2202	0.8485	0.6419	0.8861	0.8320	1.3620	1.0054	0.8238	0.8236	0.8957	0.7119	1.0450	0.5762	1.4206	0.4314	0.6270	0.7141	0.5386	1.2687	1.0670	0.6473
docosadioate	Docosanedioic acid	1.3961	0.4330	1.1187	0.6674	1.1243	0.7157	1.1633	0.3665	0.7219	1.7496	2.1953	0.4511	0.9246	0.6406	1.3290	0.8631	0.8575	0.7004	1.2482	0.5455	0.9085	0.5551	0.4700	0.3352	0.2456	0.4347	0.9104	0.8572	0.6671	1.3538	0.8023	0.8056	1.5271	0.3624	1	1.9094	1.2866	1.5601	0.6288	0.5219	1.1206	0.7218	0.5494	2.5415	1.2593	1.1496	0.7449	1.6249	1.3748	0.4171	0.9464	1.2124	1.2632	1.9127	1.6518	1.3239	0.3862	1.5413	1.1066	1.1875	0.5003	1.1169	0.8122	0.8879	4.0922	1.5797	3.0875	1.5059	1.6688	1.4445	0.9990	1.0599	1.9049	0.9414	1.5315
docosahexaenoate (DHA; 22:6n3)	LPC 22:6	1.3225	0.8337	2.0279	1.0314	1.3506	1.0845	1.7442	1.6221	1.7868	0.9768	2.1378	0.6755	0.7969	1.2236	1.0616	3.2381	1.1407	1.6323	0.7105	1.5776	1.2912	1.5295	0.8923	1.2857	1.0595	1.6898	1.2727	1.2212	1.9557	1.3880	1.0055	0.7346	0.7582	1.3964	1.9269	0.9752	0.5794	0.7403	1.5711	1.6132	1.2509	0.6769	1.0425	0.6294	0.6475	2.3706	1.0817	0.6069	0.8460	0.9945	0.5255	0.8382	0.8161	0.7078	0.9613	0.9085	0.6906	1.0838	0.8856	0.9733	1.0072	0.8250	1.3725	0.7476	0.6255	0.7072	0.9156	1.1243	0.6676	0.4191	0.6721	0.7481	0.5472	0.8752	1
docosahexaenoylcarnitine (C22:6)*	CAR 22:6	1.0728	0.6332	1.1197	0.6245	0.7680	2.2495	0.6023	1.9072	1.9332	0.4627	1.5256	0.7444	2.1768	0.8189	1	1.5760	0.7625	1.2543	1.0062	1.4083	0.4720	0.9666	0.3694	1.6118	0.4770	1.5228	0.7503	0.7893	2.4225	0.8630	1.1213	0.8071	0.5208	1.2169	0.9552	0.5859	1.5798	0.8286	1.1659	1.2343	1.1857	0.3696	0.6442	0.4209	0.7881	3.2642	0.6565	1.6544	0.8816	0.6859	0.3489	0.3489	1.1200	0.8631	1.2613	0.8253	1.1537	1.3936	1.3435	0.7353	1.3401	2.4183	1.5780	1.3527	0.5360	0.3912	0.7746	1.1096	1.4106	0.5218	0.3489	1.4983	0.8780	1.2705	1.5296
docosahexaenoylcholine		0.7592	0.4607	1.5169	0.8230	0.7657	1.9005	2.0121	1.5156	1.9189	1.0293	2.1809	0.6764	0.9642	1.1319	1.2528	1.9202	0.6669	0.8358	0.3240	3.8420	1.6940	3.5415	1.2821	1.9856	0.5925	0.5424	1.3356	1.9696	0.1392	1.3076	1.1018	1.0825	1	0.7409	0.4272	0.2483	0.9633	1.2322	2.4593	0.5295	1.5341	1.1464	1.6335	0.1392	0.3463	4.5067	1.9389	0.6875	0.8592	1.3084	0.3501	0.6274	1.9369	0.9378	1.3637	1.1198	1.1372	0.1392	0.4723	1.5997	1.7128	0.3371	0.9548	1.6436	0.3529	0.5296	0.5648	0.7695	1.2856	0.1587	0.4111	0.8561	0.2108	0.2057	0.3084
docosapentaenoate (n3 DPA; 22:5n3)	DPA	0.8646	0.6276	1.0238	1.1696	1.6349	1.2479	2.0215	1.0577	1.1356	0.6809	1.5367	0.7725	1.3035	0.6304	0.7658	2.2770	0.8967	1.6623	0.5620	0.8538	1.3981	1.3357	1.1520	1.0556	1.4413	1.2484	0.6557	1	0.9433	1.4808	1.6273	0.6402	1.1452	0.9430	2.1211	0.5327	0.4140	0.3417	1.3433	1.1692	0.8229	0.6670	0.8288	0.6659	0.8926	1.5463	1.0827	0.4143	0.8154	1.1073	1.4360	1.3233	0.8746	1.5889	1.6632	1.4111	0.7446	1.0709	0.6635	1.0932	0.9703	0.8345	1.1606	0.7679	0.7140	0.7634	0.4976	1.3246	0.4791	0.4657	1.1679	0.7190	0.6132	1.1642	0.8938
docosapentaenoate (n6 DPA; 22:5n6)	Docosapentaenoic acid (22n-6)	1.3666	1.0578	1.2592	1.0155	1.1446	1.1004	1.5407	0.8492	2.0735	0.6950	1.1269	0.4704	0.9385	0.6625	1.0394	1.4320	0.9772	1.9258	0.5883	2.1545	0.7709	1.2343	1.5999	1.7710	1.1601	1.6818	0.7580	1.2018	1.4153	1.3608	1.8640	0.9611	0.8792	1.0302	2.4097	0.5867	1.2560	0.9854	1.5511	1.1611	1.4713	0.8536	1.6722	0.6014	0.8972	0.5643	1.0905	0.7868	0.8778	0.7943	0.7873	1.4224	0.8064	1.1016	1.4207	0.8647	0.6703	0.7871	1.0899	1.1922	1.2118	0.7950	0.5617	0.7500	0.8327	0.7358	0.5098	1.2193	1	0.5285	0.8006	0.6874	0.8533	0.9395	0.9140
docosapentaenoylcarnitine (C22:5n3)*	CAR 22:5	0.2933	0.2933	0.2933	0.2933	0.2933	1.0325	0.2933	1.1517	0.2933	0.2933	0.9611	0.8086	1.0330	0.6825	0.2933	1.1718	0.6948	2.0368	1.2043	0.2933	0.8418	0.2933	0.7204	0.8817	0.4972	0.2933	0.5601	0.2933	1.0932	0.9141	0.2933	0.2933	0.2933	0.2933	0.6620	0.2933	0.2933	0.2933	1.1308	0.2933	0.2933	0.5161	0.4905	0.2933	0.8984	2.7708	0.8417	2.3529	0.2933	0.5566	1	0.9954	1.1709	2.8223	2.9531	1.3697	0.8490	1.6651	0.2933	1.6419	1.6184	2.3017	1.4967	1.9322	0.2933	0.7839	0.4400	1.2509	0.8580	0.7039	0.5802	2.0086	1.3065	0.2933	1.5364
docosatrienoate (22:3n3)	13,16,19-Docosatrienoic acid	1.1201	0.7706	1.5057	0.3253	1.2513	0.8596	1.7951	0.8246	1.2301	1.0778	0.3253	0.8717	1.1178	0.8239	0.6922	0.7571	0.9727	1.0898	0.5550	1.6492	0.9526	0.9014	1.4133	0.3253	1.4510	1.3117	0.3253	1.5588	0.3700	0.3253	2.9801	0.3253	1.3086	1.0654	2.7856	0.3253	0.3253	0.3253	1.2865	1.2987	0.3253	0.3253	0.7364	0.7294	1.5830	0.3253	1.8638	0.5044	1.5166	0.8918	1.3998	1.2642	0.3253	2.2633	1.2577	0.7231	0.5017	0.3253	0.8375	1.0108	0.3253	0.8783	0.3253	0.9283	0.7038	0.8378	0.7633	1.2091	0.4074	0.5542	0.9892	0.5479	0.7897	1.2218	1.2062
docosatrienoate (22:3n6)*	Docosatrienoic acid	2.0176	0.0948	0.3937	0.0948	1.3552	0.7859	2.0379	0.6012	1.0836	0.3905	0.0948	0.2375	1.0498	0.0948	0.4383	0.4148	1.1913	3.5590	0.1103	0.9502	0.6024	1.9814	2.5569	0.0948	1.7189	0.2637	0.3679	0.6677	1.4641	0.0948	2.1489	0.0948	0.8047	2.3706	3.8378	0.0948	0.0948	0.0948	1.5010	1.0789	0.0948	0.0948	1.2164	0.0948	1.5337	0.0948	0.4911	0.0948	0.3324	0.3955	2.1987	1.3289	0.0948	1.5146	0.4081	0.8069	0.0948	0.0948	1.1756	0.5195	0.0948	1.3109	0.0948	1.8619	0.6590	0.4976	0.1015	2.0429	0.4017	0.2059	0.5890	0.2309	1.1741	1.4960	1.7759
dodecanedioate	Dodecanedioic acid	1.3037	2.2905	0.7531	0.8916	1.6250	0.9588	0.9329	1.4576	1.2717	1.7512	0.8338	0.6045	1.7878	3.0540	1.4717	1.3230	1.0156	1.9880	0.6209	2.1006	1.8522	1.6941	1.2361	1.1435	0.8351	0.5708	0.6786	0.8662	1.2384	0.8988	1.1395	1.4229	0.8914	3.4265	2.8123	0.8957	0.4947	0.5738	1.3805	0.7539	0.3530	0.5761	3.3358	1.9552	2.1242	0.9001	0.9629	0.7211	0.8949	1.0912	0.8745	1.1088	0.5716	1	1.1227	1.0159	0.9139	1.9806	1.3566	0.9155	0.5151	0.6313	1.3211	0.5567	10.7393	0.5544	1.1394	0.7932	0.7191	0.6755	0.9739	0.5627	0.9460	1.2253	1.6653
dopamine 3-O-sulfate	Dopamine 3-O-sulfate	0.8305	0.6405	1.4397	0.4672	1.4872	6.2478	6.3471	0.7204	0.7100	1.2586	0.4673	0.8187	0.8822	0.8033	2.0509	2.4014	1.0943	1.2466	1.2726	1.0801	1.3481	0.9516	1.1137	0.6167	0.5203	0.4001	0.9306	1.4063	1.5833	0.5055	1.2320	1.3805	0.6412	0.6350	0.5463	1.0492	0.8895	2.4831	1.5125	0.4598	1.1468	0.8067	1	1.3534	0.8081	0.6398	1.1923	1.0501	0.6676	1.3836	0.8543	0.6855	0.6547	0.7378	1.0158	1.4998	0.7432	1.0627	0.8173	1.8443	0.8321	0.6984	0.8695	0.6478	1.6530	1.8621	6.4240	0.5985	1.0601	1.2033	0.8744	1.0195	1.1127	0.7926	1.1107
dopamine 4-sulfate	Dopamine 4-sulfate	0.3678	0.3678	0.9795	0.3678	1.5146	8.9267	5.5572	0.3678	0.3678	1	0.3678	0.3678	0.3678	0.3678	1.9850	3.4418	0.8378	1.0254	0.7249	0.3678	0.8055	0.3678	1.0504	0.3678	0.3678	0.3678	0.3678	0.6422	0.3678	0.3678	0.9632	1.1824	0.3804	0.3678	0.3678	0.5032	0.6594	2.1228	1.3813	0.3678	0.3678	0.5144	0.3678	1.3279	0.6563	0.3678	0.6019	0.3678	0.3748	1.3153	0.3678	0.3678	0.3678	0.3678	1.7253	0.8810	0.3678	0.7298	0.6104	1.5802	0.3678	0.3678	0.3678	0.3678	1.3803	1.9311	9.6459	0.3678	0.3678	0.3678	0.3678	0.3678	0.3678	0.3678	0.3678
DSGEGDFXAEGGGVR*		4.5237	0.3594	0.3594	0.3594	0.3594	0.3594	0.4882	0.5898	0.3594	0.3594	0.8284	0.3594	0.9641	1.2562	0.6105	0.3594	0.3594	0.3594	0.3594	0.6036	0.3594	0.3594	0.3594	0.3594	0.3594	5.3852	0.3594	0.3594	58.3170	0.8871	1.1821	4.9638	4.9651	0.3594	0.3594	3.3361	0.3594	0.3594	0.4313	0.6706	0.3594	1.3867	0.3594	1.3828	0.3594	0.4704	0.3594	0.3594	0.3594	0.3594	0.3594	0.3594	1.5710	0.3594	0.3594	0.3594	0.3594	0.3594	1.0359	0.3594	0.3594	0.3594	0.3594	0.3594	0.3594	0.3594	0.3594	0.3594	0.3594	0.3594	0.3594	0.3594	0.3594	0.8819	0.3594
ectoine	Ectoine	0.9720	0.2132	1.4669	0.7143	0.0996	2.0019	0.1809	0.6508	0.7711	2.9416	0.5809	0.1828	1.2307	0.0996	0.8801	0.0996	0.2858	0.2277	0.7086	1.3761	0.3553	1.8302	0.0996	0.4915	1.2520	0.0996	2.4455	0.2928	0.7043	1.0647	0.0996	0.2310	2.4945	0.9688	1.2086	4.7706	0.7154	0.4800	0.2202	1.3355	4.3568	0.1528	0.7395	1.7009	0.0996	3.1112	2.0343	4.2193	0.0996	0.4784	3.9473	0.1184	7.0802	2.5326	1.5646	1.4731	0.8600	1.0571	1.6272	4.4153	0.2759	0.7749	4.1095	1.3720	0.3960	1.0280	2.9232	2.0361	0.7981	0.5769	1.3540	1.4092	0.8056	0.1076	6.2552
EDTA	Edetic acid	1.0339	0.9971	0.9188	0.9658	0.9492	0.9224	0.9266	0.9883	0.9062	0.8733	0.9179	0.9012	0.8079	1.1886	0.8774	1	0.9088	0.9856	1.4105	0.8933	0.9507	1.1164	0.7912	0.6844	0.8266	1.2808	0.9686	0.9877	1.7629	0.9235	0.9196	1.1208	1.0858	0.8392	0.9734	1.1581	0.9237	0.9612	0.8055	1.0329	0.8441	1.0456	0.9166	1.3039	1.1121	1.0353	1.0835	1.0944	1.1081	1.1431	1.0520	1.0216	1.2341	0.9150	0.9149	0.9631	0.9577	1.8252	1.4150	1.3087	1.0578	1.2555	1.3695	1.0155	1.0652	1.0725	1.0305	0.9854	0.9043	1.2547	1.0758	1.2855	1.2001	1.3839	1.1191
eicosanodioate	Eicosanedioic acid	1.9532	0.8926	1	0.9959	0.8333	0.7595	0.9158	0.7491	1.0207	1.3252	1.8389	0.5259	1.2758	0.8247	1.0273	0.8931	0.7386	0.7881	0.8968	0.9350	1.1918	1.3560	0.8130	0.6246	1.4062	0.4181	0.8812	0.8355	0.8037	0.9878	0.4671	1.2554	1.7776	0.5614	0.8895	2.3161	1.2034	1.3470	0.8062	0.8020	1.4085	0.7425	0.6805	2.0944	1.1078	1.1724	1.1928	1.6496	0.8391	0.6956	1.1705	0.9016	0.6713	3.9412	2.2296	0.9240	0.7878	1.8103	1.2783	1.2626	0.4208	0.9103	1.3264	0.9813	4.0678	1.6362	1.5232	1.0732	1.2903	1.3679	0.6717	1.1739	1.2690	1.2587	1.3976
eicosapentaenoate (EPA; 20:5n3)	Eicosapentaenoic acid	0.8980	0.6182	1.1813	1.0954	1.5631	1.0958	1.3568	1.1447	1.1501	0.4988	3.2901	1	1.0449	0.7378	0.7757	3.9940	0.9694	1.7525	0.5717	0.9005	1.4728	1.4542	1.2001	0.9686	1.4440	1.0968	1.2280	1.1824	1.3096	1.6545	1.2802	0.7590	0.7927	0.9579	2.3264	0.4132	0.3853	0.4520	1.2388	1.2444	0.6812	0.7150	1.1100	0.5079	0.8721	2.5090	0.9589	0.2912	0.7440	0.9352	1.2366	1.0333	0.7279	1.0458	1.2851	1.8672	0.8078	0.7846	0.5463	0.9063	0.8063	1.2229	1.9312	0.9949	0.8028	0.6450	0.6789	1.1272	0.7220	0.5541	1.1341	0.7466	0.5803	1.1518	1.0747
eicosenoate (20:1)	cis-Gondoic acid	1.4435	1.5158	0.9288	1.0904	1.6401	0.7514	1.6133	1.6953	0.8839	1.1017	0.7314	0.7445	1.1413	1.4144	0.8295	1.5633	1.1412	1.5119	0.4749	1.0918	1.7122	1.4768	2.1883	1.0720	1.3958	0.9269	0.3795	0.6268	1.0695	0.8471	1.8049	0.7146	1.1359	2.4873	2.2102	0.5385	0.7344	0.5205	0.9461	1.7006	0.4353	0.8508	1.5057	0.4952	1.0769	0.7607	0.8867	0.3539	1	0.9330	1.3627	1.1632	0.7466	1.2046	1.0213	0.7284	1.0284	0.7477	1.0487	0.8575	0.8373	0.7289	0.9327	0.6958	0.6895	1.1249	1.3995	1.4054	0.7867	0.3699	0.6649	0.5100	1.1942	1.1504	0.8695
eicosenoylcarnitine (C20:1)*	CAR 20:1	0.6869	0.9052	0.7660	0.5566	0.9544	0.6173	0.6074	1.8283	0.8527	1.0775	0.6398	0.7950	0.9932	1.3869	1.0594	1.2172	0.7778	1.0989	0.5969	0.9985	1.1904	1	1.3191	0.6942	0.7436	0.4371	0.3789	0.6036	0.6612	0.5803	1.1415	0.8878	1.9051	1.1996	1.7818	1.1829	0.7274	0.4415	0.7504	1.1187	0.5665	0.7588	1.1798	0.5663	1.1558	1.5646	0.8406	1.1133	1.1831	0.9257	1.7316	1.2328	1.3401	1.3907	1.2667	1.2185	1.2386	1.5110	0.7613	1.2660	0.7134	0.9534	1.1211	1.2876	1.4143	1.2233	1.4063	1.4091	1.5257	0.5381	0.6916	1.3938	1.6230	0.9700	0.8525
epiandrosterone sulfate	Epiandrosterone	0.9282	0.8604	0.9189	0.3283	1.4873	1.3619	1.3441	1.4342	0.8796	0.6453	0.3245	0.4262	2.5580	1.1003	0.4639	0.9773	1.3267	1.1288	0.8711	1.5039	2.1680	0.7076	1.2060	0.5762	0.3883	0.4759	0.9054	1.4924	0.4764	1.0614	1.3515	0.5769	0.9596	1.3770	1.4526	0.6043	0.8531	0.5683	0.3803	0.9948	1.7022	0.2405	0.8274	0.5403	2.3858	1.1885	1.1212	3.3275	0.5231	1.2461	1.6937	1.5644	0.9266	1.2871	0.4631	1	1.4061	1.1673	0.6583	0.9645	0.2867	1.4099	1.5130	1.1727	0.7159	1.7960	1.8874	3.0628	1.9214	1.9622	0.3472	0.8054	1.4863	0.3331	1.3871
ergothioneine	Ergothioneine	1.4520	0.7541	1.9436	0.7053	1.7579	0.8603	0.9848	2.5931	0.6055	0.8553	0.8093	0.5239	0.4486	4.4694	1.6097	0.9127	1.6398	1.1113	0.7074	3.2309	1.9553	1.4418	6.4772	0.7056	0.8510	0.8820	1.0036	1.9376	4.5591	0.5566	2.0930	0.2922	9.6195	1.1753	0.4110	2.7138	0.8987	0.7554	0.5018	0.7611	1.0513	2.2914	0.7683	0.7616	0.5515	0.9343	1.7780	0.5533	0.3077	2.2548	1.7606	1.0595	3.2295	0.3970	0.3775	1.4761	0.8551	3.2353	0.4132	1.6520	0.6829	1	1.2083	1.2566	2.0505	1.0767	0.9712	1.3661	1.3798	0.3745	2.4628	1.4791	0.5211	0.8936	0.6920
erucate (22:1n9)	cis-Erucic acid	1.2949	1.2303	1.2274	0.9196	1.2800	0.8647	1.4339	2.1788	0.8872	1.0711	0.7751	0.7593	0.7699	1.3599	0.9610	1.3884	1.3194	1.3650	0.5971	1.2610	1.0513	2.0622	2.3951	0.5149	1.0282	1.0837	0.5489	1.1293	1.0998	0.7666	1.5729	0.6030	1.3839	2.0499	2.3911	0.8937	0.7952	0.6741	0.9728	1.8198	0.6104	0.4385	1.9806	0.5794	2.4120	1.0734	1	0.6127	1.2284	0.9175	1.5928	2.0482	0.8366	0.9053	1.0367	0.9402	0.6556	0.8242	1.0999	0.9675	1.1623	0.8095	0.9495	0.8602	0.8484	0.9544	1.9807	2.1561	0.5381	0.5564	0.8836	0.6718	4.6197	3.8607	0.7545
erucoylcarnitine (C22:1)*	CAR 22:1	0.9463	0.2596	0.7193	0.2596	1.0428	0.4028	0.7122	1.6601	0.7168	0.5814	0.6338	0.2596	0.6805	1.4849	0.2596	0.2596	0.6984	0.7045	0.7284	0.8658	0.2596	0.9428	1.2724	0.2596	0.6943	0.2596	0.3607	0.2596	0.5771	0.4862	1.6308	0.5372	2.2107	0.7897	1.9143	0.2596	1.2242	0.2596	0.6749	1.1736	0.2596	0.7302	0.8932	0.2596	0.2596	1.9924	0.2596	0.2596	1.5490	0.2596	1.9034	1.7489	1.6650	0.9862	0.2596	1.8506	1.1609	1.6724	0.2596	1.2786	0.2596	1.0169	2.0141	1.1161	0.8232	1.1303	0.5804	1.7741	1.7946	0.4297	1.0493	1.4576	1.7862	1	0.2596
erythritol	Erythritol	0.6755	1.1652	1.0086	0.7275	0.8016	1.3939	1.2162	0.9526	0.9736	1.5856	1.0918	0.9452	0.9179	0.8586	0.8742	0.8052	0.9652	1.3938	0.8899	1.0850	0.8914	0.6114	0.9041	0.9972	0.9661	0.6094	0.9171	1.2625	0.9150	0.9485	1.2239	0.7000	0.7427	0.5932	0.7169	1.4340	0.9881	1.0634	0.7164	0.9019	0.7955	1.3670	1.1524	1.1555	1.0598	1.1003	1.1916	1.5442	1.3042	1.2607	0.8614	1.0920	0.8686	1.1375	1.2983	1.3079	1.4270	0.9039	0.8473	1.1079	1.4332	1.0747	1.2782	1.3082	1.3362	1.1216	1.3329	1	0.9807	1.0038	1.1928	0.9219	0.9887	0.8115	1.2735
erythronate*	Erythronic acid	0.6743	1.1467	0.9478	0.7842	0.8434	1.1676	1.0999	1.0379	1.1164	1.2499	0.9284	0.8762	1.1173	0.8420	0.7699	0.7400	0.7221	1.0011	0.8495	1.0841	1.0640	0.8149	0.8969	0.8858	0.8344	0.6906	0.7946	1.1550	0.9074	0.9530	1.1548	0.7073	0.9647	0.7718	0.8744	1.2215	1.0555	1.0164	0.8484	0.9746	0.8405	1.1598	0.9971	1.0359	1.0702	1.2164	1.1411	1.3113	1.1983	1.0812	1.0690	1.1716	0.9825	1.1102	1.1719	1.1905	1.0569	0.9248	0.8502	1	1.2108	0.9083	1.0586	0.9858	1.0463	1.0999	1.3839	0.9591	1.0820	0.9433	1.0065	0.9562	0.8711	0.8971	1.1060
escitalopram	Escitalopram	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
estrone 3-sulfate	Estrone 3-sulfate	0.5617	0.2410	0.2410	0.4603	2.1557	0.7853	1.3330	3.0168	0.2410	0.2410	0.2410	0.2410	2.6143	2.5865	0.8289	0.5678	7.7308	5.5018	1.5835	0.4141	3.3589	0.8253	1.9370	2.8830	0.2410	12.9292	0.2410	0.7329	0.2410	0.8141	1.3022	2.0864	3.3134	0.2410	1.7971	0.2410	0.2410	0.2410	1.0733	0.2410	0.6918	0.2410	0.2410	1.3734	0.5153	0.2410	1.1428	0.6682	0.7224	0.2410	0.2410	0.2410	0.4436	0.2410	0.7667	0.3899	0.6242	0.6769	0.8115	1.3657	0.2410	0.9267	0.2410	1.3098	0.2410	0.2410	0.2410	1.6028	0.2410	0.2410	0.6774	0.2410	0.5946	0.2410	1.5486
ethyl glucuronide	Ethyl glucuronide	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	1	0.6775	0.6075	1.6719	0.6075	2.3808	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075	0.6075
ethylmalonate	Ethylmalonic acid	0.8278	1.1237	0.8487	0.7944	6.8320	0.9078	0.6581	0.8302	1.0697	2.4508	1.0451	1.9817	0.8825	0.9499	0.8774	0.9683	0.8579	1.4907	0.6322	1.3887	1.7689	0.9770	4.3878	0.6805	0.8998	0.6899	0.6494	3.5346	1.0902	1.0665	1.4995	0.5127	1.0258	0.8388	2.1537	1.0637	1.2389	0.7776	0.7385	1	0.7403	0.9522	7.0875	0.5988	1.0127	1.3764	13.2544	0.7385	1.7247	2.2698	0.9297	1.1672	1.8774	1.4478	1.1816	1.7887	1.2761	1.0504	0.8697	1.1573	0.5355	0.9169	0.7985	0.8472	7.9640	0.7244	3.3735	1.3066	0.7773	0.8832	1.1142	0.5940	0.7110	0.9657	1.0235
etiocholanolone glucuronide	Androsterone 3-glucuronide	0.9311	0.6351	1	0.6589	0.9093	1.3240	3.0216	0.5059	1.1116	1.4066	0.8189	0.4725	2.5587	0.7297	0.8201	1.0758	1.2835	0.7217	0.5039	1.5628	1.1867	0.9551	0.9701	0.5753	0.2517	0.6861	1.2477	1.7723	1.8501	1.5649	0.7895	1.2354	0.9147	1.1327	0.4956	0.4365	0.6480	1.4977	0.6457	0.5828	1.4597	0.5240	0.6455	0.7767	1.4682	1.6800	3.3732	2.5460	0.6574	1.6666	1.0590	1.9123	2.4368	1.2930	1.0271	1.0723	0.4000	0.8269	0.8712	1.6209	0.9656	0.6180	1.4655	0.9858	2.9854	1.8022	2.1098	1.9367	0.9105	1.2501	0.2460	0.6206	1.5722	1.1326	0.4581
eugenol sulfate	Eugenol sulfate	1.0029	0.1612	0.7022	0.1612	0.3577	3.2021	0.7429	0.1612	0.7212	1.6514	1	7.0236	0.1612	1.9132	0.3458	1.1668	1.4197	0.3111	0.3438	1.6686	0.2804	0.1612	0.1612	0.8318	4.3392	0.1612	0.6085	0.8582	0.2201	2.1904	0.1612	0.1612	0.1612	0.1612	0.1612	0.9114	5.9933	0.1612	1.5057	0.1612	0.1612	0.6067	0.9172	0.8717	1.0045	0.5639	5.5251	0.6316	1.6158	1.8061	0.1612	0.1612	14.9284	0.8433	0.5021	0.8074	1.8982	0.2736	0.7928	0.5754	1.8619	0.7616	0.7443	0.9108	1.9671	7.8297	2.7010	1.5262	2.1474	123.7468	2.9634	2.4499	1.1588	0.6355	7.8908
ferulic acid 4-sulfate	Ferulic acid 4-sulfate	0.4349	0.2635	1.5437	0.2635	0.2635	1.1566	1.0130	0.2635	0.7425	10.4838	0.2635	0.2635	0.2635	0.2635	0.2635	1.2625	0.2635	0.5755	0.2635	0.4536	5.0806	0.2635	0.2635	0.2635	0.4143	0.2635	0.2635	0.4670	0.2635	1	0.8605	0.2635	0.2635	0.2635	0.2635	1.4264	0.9844	6.3248	0.2635	0.2635	0.2635	0.2635	0.3519	1.1765	0.2635	0.2635	0.2635	0.4693	0.2635	0.9744	0.2635	0.2635	0.2635	0.2635	0.7633	0.2635	0.2635	7.7247	1.0935	0.2635	0.2635	0.4960	0.6153	0.2635	47.2698	1.6059	4.9508	0.2635	1.0070	6.4545	4.9052	0.8484	2.3408	0.4434	0.3534
flavin adenine dinucleotide (FAD)	FAD	1.0746	0.6064	1.1707	0.8586	1.2020	0.4114	0.8722	1.3157	1.1137	1.3862	1.2543	0.7302	0.4114	0.8840	1.5114	1.7860	0.4114	0.7465	0.6097	1.2909	1.2474	0.6319	0.4114	0.4114	0.4114	1.7376	1	0.4114	1.8786	0.9003	0.4114	0.5139	0.6924	0.4114	0.4114	1.0160	0.5784	0.7147	0.4114	0.6175	1.6158	0.8098	1.1440	1.1671	0.4114	0.8029	0.9729	0.9966	0.4114	1.0879	0.8420	1.0975	0.4114	0.9093	0.4114	2.1748	0.4114	1.1320	0.8755	2.3976	1.0530	0.5330	0.8181	0.8355	0.8442	0.4114	0.4114	0.4114	0.4114	1.0677	1.0340	1.3287	1.2907	0.9447	0.4114
fructose	Fructose	0.4461	1.1094	1.0545	0.7825	1	1.3376	1.0525	0.8395	1.3066	1.6338	0.9691	0.7135	0.7542	0.4830	1.2255	0.4994	0.5850	0.9533	0.7826	1.2354	1.5820	2.0660	1.3152	1.1777	0.8411	0.4988	1.2370	1.0045	0.2398	0.9995	0.7273	0.7174	1.4175	0.7292	0.3535	0.8957	1.4695	0.4828	1.5005	1.2790	1.7907	1.1024	1.5166	1.1810	0.5211	0.9648	1.2192	0.7490	0.8459	0.9092	1.3406	1.1244	0.4816	0.8386	0.6016	1.0702	0.5981	0.2951	0.4137	0.6849	0.9756	1.6919	1.0129	1.4849	1.2963	1.5564	1.0621	1.0524	1.2855	0.5258	1.3287	0.4175	0.7574	1.2572	1.2579
fumarate	Fumaric acid	0.9277	1.2662	0.8944	0.8843	0.9557	0.8516	0.8806	1.1009	1.2653	1.1319	1.0560	0.6603	0.8557	0.9562	1.3078	1.3825	1.0522	1.2855	1	1.0295	1.3307	0.7450	0.9149	0.7830	1.0795	1.0218	0.7814	1.2932	0.6869	0.9150	0.9102	0.8302	0.6951	0.6136	2.1489	1.2323	0.8915	0.7297	0.9747	1.3471	0.6620	1.1472	1.1101	0.6533	0.9863	1.0482	0.8639	0.8783	1.4804	1.3864	1.0853	1.2171	1.3215	1.7404	1.2969	0.8198	1.0214	0.8653	0.7524	1.1798	1.1025	1.1308	1.0048	0.8877	1.0133	0.9546	1.0041	1.0660	1.2548	0.6368	0.7399	0.7452	0.7464	0.7276	1.1704
gabapentin	Gabapentin	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
galactitol (dulcitol)	Galactitol	0.7653	1.2525	1.2040	0.6127	0.7910	1.4237	1	0.6460	1.3074	2.5624	0.9417	1.0396	0.9636	0.8495	1.1683	1.0384	1.0511	0.9765	0.7433	0.8224	0.9839	0.6167	0.9517	0.8172	0.9962	1.0311	0.9655	0.9843	1.0356	0.9564	0.7503	0.7099	0.6034	0.6976	0.9034	1.0979	0.9441	1.1926	1.0363	0.7558	0.5656	0.9210	0.8268	1.2720	0.9303	1.0052	2.4898	1.5333	1.1708	1.1464	1.2513	1.5011	1.2322	0.9963	1.1331	1.8089	0.7964	0.8704	1.0975	1.1979	1.4560	0.9566	3.4278	1.0825	1.3693	1.5712	1.2436	1.1309	1.7084	1.2849	0.8061	1.0622	0.8305	0.8976	0.9734
galactonate	Galactonic acid	0.0628	0.0628	1.3348	0.0628	0.0628	0.8758	2.9032	2.1893	1.5493	1.1665	0.0628	0.2093	0.7411	1.6468	1.3812	3.3121	1.4583	4.4369	0.0628	2.5816	0.8593	0.0628	0.1928	2.0803	0.0628	0.6994	0.0628	2.2899	1.0330	0.0628	1.1494	0.9753	0.0628	0.0628	0.6794	0.0628	0.5167	0.4533	0.0628	0.0628	0.0628	2.0252	0.2751	0.4491	0.0628	0.0628	0.5464	1.5022	2.4404	1.0123	0.2827	0.5967	0.0628	0.5111	0.0628	0.6341	0.8611	0.1372	1.1679	0.0628	2.0004	0.4033	1.1301	2.1922	0.5792	0.4777	1.7820	0.2625	0.8081	1.1942	0.3743	0.9877	1.8772	0.0628	1.8883
gamma-carboxyglutamate	gamma-Carboxy-glutamic acid	1.0727	1.2553	1.1253	1.1781	0.6714	0.9236	0.7363	0.9468	1.3110	0.8237	1.2833	1.0447	0.7177	1.1775	1.2174	1.0122	1.3975	1.2497	0.7930	1.2284	0.9108	0.8143	0.7925	1.1962	0.9703	0.1968	0.2992	0.9457	0.9280	0.6928	1.9915	0.5674	0.8501	0.9886	0.9090	1.0220	1.1013	1.3581	0.9332	0.7874	0.7219	1.3128	0.7828	1.0843	1	0.9550	1.3283	0.8955	0.7237	1.0925	1.1224	1.2006	0.9539	0.8693	0.9240	1.1198	0.8302	1.6088	1.3211	1.7492	1.1110	0.8897	0.8550	0.8256	0.8737	1.0692	1.0746	0.2496	0.7164	1.1125	1.0425	1.2033	1.0327	1.2507	1.2531
gamma-CEHC	gamma-CEHC	0.8168	0.4324	1.6208	1.5580	0.2930	2.4759	0.6214	0.3079	1.4225	4.8558	0.8629	1.7494	0.8044	0.7693	2.3922	0.7957	0.3648	0.6935	1.0634	0.7680	1.5645	1.8432	0.7852	0.7177	1.9323	0.3126	1.6005	3.0112	1.0875	3.4585	1	0.9794	0.5039	0.6474	0.2769	0.5434	0.4358	3.2734	0.4216	0.3207	1.7499	0.4280	0.6281	3.0120	2.1212	0.6219	2.4035	4.4953	1.1544	1.0687	1.6339	0.7800	0.3140	1.7118	0.7506	1.3327	1.1981	1.6577	1.8133	1.7007	0.6248	1.1685	0.4710	0.4776	0.7546	0.8202	2.1317	0.4693	0.5159	3.0811	0.4953	1.7156	2.3794	2.6848	1.1890
gamma-CEHC glucuronide*		0.2358	0.2358	1.4677	0.9069	0.2358	2.2002	0.6866	0.2358	1.1678	5.2252	1.1817	0.9116	0.6499	0.2358	2.0153	0.6327	0.2358	0.3575	0.5462	0.4032	1.1253	0.9756	0.5382	0.2358	1.2479	0.2358	0.7928	2.3123	0.7885	1.8338	0.4731	0.9042	0.2358	0.2358	0.2358	0.2358	0.2358	3.2051	0.2358	0.2358	1.4945	0.2358	0.2358	2.0887	1.3110	0.5404	1.9056	2.6400	0.6797	0.6759	1.2806	0.2358	0.2358	1.5560	0.7196	1.2791	0.7292	1.2960	1.6356	2.7991	0.3091	1.0348	0.2358	0.2358	0.6412	0.2358	0.9725	0.2358	0.2358	2.2952	0.3715	1.0244	1.4834	0.8922	0.7422
gamma-glutamyl-2-aminobutyrate	gamma-Glutamyl-2-aminobutanoate	0.5507	0.5463	0.3907	1.1830	0.8541	0.4601	0.2372	1.0970	1.1875	0.2412	0.2372	0.2372	0.7547	0.2372	0.2372	1.0733	0.6418	1.1619	0.6883	0.9632	0.4117	0.2372	0.2372	0.4792	1.4439	0.3950	0.2947	0.2372	1.3158	1.9314	1.4294	0.2372	0.9986	1.3383	2.6909	0.5196	0.3881	0.8635	0.2372	3.3905	0.2652	1.4192	0.2372	0.5927	1.2294	0.6910	0.9179	1.4072	1.0352	1.3091	1.4147	0.7686	3.2859	2.3150	0.5925	0.8953	1.0635	0.2372	0.4289	2.2767	1.1672	1.3030	0.8560	0.7680	1.0088	0.3781	0.2372	2.7083	1.4467	0.4888	1	1.3342	1.5459	1.7957	1.6526
gamma-glutamylalanine	gamma-Glutamylalanine	1.1614	1.2903	0.5020	0.8150	0.3871	0.6731	1.0498	1.3977	1.0986	0.8045	2.1152	0.7271	0.7508	1.0121	0.7240	1.2680	1.1439	0.7408	1.0992	1.0102	0.7331	0.1926	0.7345	0.4491	0.5252	0.9722	1.2665	1.0137	0.6732	0.8568	1.8377	0.3529	0.5661	0.2553	1.3498	0.7713	0.8276	1.0273	0.9325	1.3571	0.4918	1.1991	1.3151	0.9317	1.3996	1.1812	1.2555	1.5285	1.0438	1.4610	0.6937	1.1669	1.1911	1.2107	0.8358	1.6150	0.7979	1.0249	0.9677	0.8479	1.6930	0.5597	0.9535	1.0118	0.8027	1.4629	1	0.5862	0.5351	1.3376	0.7175	1.0725	1.0081	0.4690	1.3275
gamma-glutamyl-alpha-lysine	gamma-Glutamyllysine	0.9770	0.7899	0.6286	1.1424	0.8483	0.9812	0.9539	1.0121	1.0610	1	1.0810	0.9034	0.8646	0.7436	0.5392	0.7726	0.9441	0.9224	0.8538	1.0967	0.5059	1.0877	0.8261	0.6637	0.5734	0.8225	1.1003	0.8939	1.1321	0.9365	1.1443	0.6094	1.1518	0.5660	0.8045	0.8494	0.7844	0.7430	0.9831	1.3001	0.8449	0.8754	0.7395	1.0474	1.1931	1.3902	1.2279	1.3557	1.3351	1.2452	1.2210	1.3186	1.6634	1.6310	1.3238	1.0577	1.3894	1.5885	0.8956	1.4368	0.9605	1.1543	1.5335	1.1238	0.8814	0.9971	0.8442	1.3130	1.1769	1.3477	0.9535	1.2416	1.5161	1.0006	1.5480
gamma-glutamyl-epsilon-lysine	Epsilon-(gamma-Glutamyl)-lysine	0.9023	0.9254	0.6803	1.1401	0.8704	0.9268	0.8933	0.9221	0.9252	0.9667	1.0185	0.9941	1	0.8897	0.6038	0.7431	1.1302	1.0071	0.6887	1.1220	0.7201	0.8638	0.7784	0.6197	0.5709	0.7793	0.8434	0.7752	1.2909	1.1638	1.0783	0.6746	1.0853	0.6481	0.8033	0.9853	0.9294	0.8182	0.9018	1.1309	0.8765	1.0154	0.7115	1.1801	1.2298	1.4233	1.3758	0.9456	1.3042	1.6681	1.2168	1.2276	1.6163	1.5726	1.0674	1.0390	0.7651	1.4210	0.8396	1.1761	1.0195	1.0549	0.6563	1.0680	0.7502	1.0232	1.1130	1.2131	1.0007	1.5678	0.8955	1.2266	1.5097	1.1989	1.3044
gamma-glutamylglutamate	gamma-Glutamylglutamic acid	0.6881	0.6338	0.5358	1	0.9138	1.1006	1.1296	0.5412	0.6080	0.8001	0.8376	0.9108	0.7875	0.9454	1.0818	1.1448	1.0830	0.6253	1.1405	0.5473	0.8755	0.7348	0.9487	0.4659	0.6952	0.6555	1.1189	0.7580	0.9449	0.7467	2.0082	0.6793	1.4079	0.5402	0.6936	0.8272	0.9800	0.7668	0.8437	0.7584	0.7196	1.0902	0.7108	0.7664	1.2477	0.8635	2.2447	1.2695	2.1439	0.7979	1.0320	0.8072	1.3084	1.4282	1.0165	2.5147	1.2333	1.3575	2.1285	1.8222	1.6380	1.4591	2.1516	2.1828	2.0137	1.1910	1.1496	2.1024	1.4070	2.1803	1.3692	1.5401	1.1600	0.8441	1.7091
gamma-glutamylglutamine	gamma-Glutamylglutamine	1	1.2679	0.8548	1.0635	0.8320	0.7744	0.7083	1.3980	1.2151	0.9379	1.1937	0.7607	1.1144	0.9999	1.1950	1.2347	1.2445	0.8911	0.6843	1.2873	1.0131	0.4714	0.7409	0.6441	0.6568	0.6914	0.8169	0.6068	0.9594	0.8513	1.0916	0.8370	1.0270	0.5375	0.8066	1.0304	0.9525	0.8597	1.1637	1.0146	0.7170	0.8000	1.1162	0.8958	1.0872	1.0186	1.2076	1.0021	0.8607	1.6718	0.9354	1.4149	1.5554	1.4049	1.1090	0.9458	0.8864	1.2037	0.7150	1.0667	1.2860	1.0368	1.0914	0.8051	1.0744	1.3370	0.8415	0.7778	0.8768	1.2371	0.6798	0.9551	1.2386	1.0040	1.1452
gamma-glutamylglycine	gamma-Glutamylglycine	0.6960	1.0486	1.1915	0.9367	1.1834	0.9795	0.8037	0.9990	0.8426	2.1834	1.7816	0.9421	0.8280	1	1.6412	1.2724	1.4565	0.7608	1.2382	0.8690	1.1037	1.1290	0.7433	0.6460	0.8632	0.5392	0.7789	0.9377	1.0114	0.8419	1.2294	0.9346	1.6458	0.3143	1.8322	1.0682	0.6050	0.6946	1.0807	0.7686	0.6471	1.5245	1.6093	1.3787	1.2052	1.4529	0.9329	1.3148	0.8430	1.6367	0.8709	1.8746	1.3039	1.1857	1.0026	0.7726	0.9214	1.1918	0.8728	1.0322	1.0314	0.7478	1.1922	0.9028	1.3611	1.8902	0.8987	0.9102	0.7528	1.4749	0.5501	0.9214	1.0557	0.9038	1.2134
gamma-glutamylhistidine	gamma-Glutamylhistidine	1.1205	1.2579	0.9284	0.9343	0.7842	0.8565	0.8335	0.9905	1.4248	1.1101	1.2072	0.8430	0.9686	0.7383	0.7402	0.8758	0.9116	0.9283	0.8266	1.2222	0.9686	0.8378	0.9794	0.7163	0.6932	0.6399	0.7417	0.7317	1.2054	0.9434	0.9923	0.7374	0.8202	0.5413	0.8622	0.9347	0.9872	0.9893	1.1697	1.1172	1	0.7967	1.0740	1.0552	1.5107	1.2431	1.4604	1.2504	1.2224	1.5552	1.0966	1.2356	1.5966	1.3298	1.2704	0.9468	1.1493	1.2679	0.9047	1.0396	1.0047	1.0840	1.2625	1.1219	1.3161	1.3112	1.0893	0.9301	0.8898	1.3837	0.8613	1.1017	1.2288	1.1028	1.2618
gamma-glutamylisoleucine*	gamma-Glutamylisoleucine	0.4842	0.7843	0.6344	0.7065	0.6531	1.2598	0.7656	0.6381	0.7262	0.7811	1	0.6876	1.0772	0.3045	0.6962	0.9972	0.7063	0.7970	0.7935	0.6624	0.5982	1.1561	0.4609	0.6129	1.0111	0.6941	0.9531	0.8149	0.7069	1.0423	1.2618	0.5460	1.0461	0.6795	1.0660	0.9453	0.6646	0.8345	1.2621	0.9258	0.9521	0.7322	0.6888	0.9327	1.1282	1.1567	1.5075	1.8514	1.0884	1.0896	1.3025	1.0006	1.4576	1.4572	1.5647	1.4975	0.8673	1.3688	1.5414	1.2669	0.9357	0.9929	1.3808	1.0773	1.5601	1.1260	1.7986	1.1415	1.1137	1.4880	1.3917	1.1301	1.0026	1.4407	1.5205
gamma-glutamylleucine	gamma-Glutamylleucine	0.5078	0.8412	0.5586	0.8885	0.6804	1.1199	0.9709	0.9488	0.8479	0.8903	0.8715	0.7276	1.1665	0.6219	0.7100	1	0.6936	0.9625	0.6711	0.9331	0.6252	0.9609	0.6418	0.7819	0.8407	0.6444	0.8814	0.8875	0.8130	0.9166	1.2725	0.7180	1.0006	0.6632	0.7767	0.7890	0.6534	0.8493	1.0906	1.2414	0.7455	0.8995	0.6273	0.9700	1.4389	1.3040	1.4469	1.4783	1.2144	1.2257	1.2738	1.0717	1.7548	1.5296	1.5551	1.5347	1.2066	1.2291	1.3433	1.2627	1.0978	1.0826	1.3170	1.1795	1.1563	1.1295	1.6877	1.2026	1.2628	1.4828	1.4157	1.0605	1.0967	1.5607	1.8597
gamma-glutamylmethionine	gamma-Glutamylmethionine	0.9049	1.0613	0.7251	1.1485	0.5995	0.6925	0.9795	1.1823	1.0207	1.1380	1.6599	0.8482	0.9073	0.6524	0.6507	1.1734	1.1184	0.7918	0.7184	1.1213	0.7117	0.9700	0.6897	0.6130	0.7088	1.0634	1.0771	0.7071	0.9455	0.9341	1.1618	0.6675	0.9072	0.3052	0.9654	0.7241	0.7461	0.9160	1.2389	0.7998	0.8575	0.8340	0.8381	0.8744	1.5425	1.3385	1.1215	1.4669	1.0573	1.5712	0.9142	1.2593	1.8051	1.4733	1.3016	1.2605	1.1207	1.1843	0.9095	1.5610	1.4106	1.0953	1.1726	0.9483	1.1507	1.3144	0.8997	1.0243	0.9013	1.3790	0.7425	1.0029	1.2284	1	1.4830
gamma-glutamylphenylalanine	gamma-Glutamylphenylalanine	0.7262	0.9123	0.7189	0.7385	0.7850	0.9253	1.2560	0.8708	1.3151	0.9881	0.9987	0.8864	1.0321	0.7159	0.5879	0.9488	0.7108	0.8285	0.7913	1	0.9296	0.9841	1.0507	0.7946	1.0477	0.7700	0.7787	0.9653	0.9582	0.8839	1.2030	0.6985	1.1605	0.5256	0.7437	0.8166	0.7920	0.8626	1.3833	0.9602	0.7727	1.0795	0.9007	0.8660	1.4387	1.0584	1.6064	1.5678	1.8236	1.6833	1.3381	1.0964	1.4055	1.1414	1.1391	1.3242	1.0707	1.5026	1.6527	1.2718	0.8577	1.1643	1.6735	1.1938	1.2107	1.3127	1.4576	1.1557	0.9164	1.3591	0.8925	1.1207	1.2399	1.0778	1.3412
gamma-glutamylthreonine	gamma-Glutamylthreonine	1.5398	0.9232	0.6561	1.4128	0.6113	0.9960	0.6841	0.8859	1.2405	1.0248	1.6499	1.2115	0.7819	0.7235	0.9034	1.0751	1.3070	0.7761	1	0.9110	0.5803	1.3695	0.7164	0.5097	0.6127	0.7323	1.5265	0.4938	0.9634	1.0185	0.9582	0.5925	2.0600	0.5321	1.2364	0.8291	0.9579	0.7588	2.1755	0.9897	0.9973	0.5957	0.7859	0.8667	1.4312	1.2735	1.3506	1.1335	1.1868	1.4316	1.0444	1.4041	1.4657	0.9906	1.4051	1.0619	0.8859	1.2850	1.4367	1.2559	0.8105	0.6667	1.1585	1.3906	1.1162	1.1835	1.2348	1.1566	0.7255	1.2306	0.7116	0.9700	1.0543	0.9019	1.2363
gamma-glutamyltryptophan	gamma-Glutamyltryptophan	1.1054	0.8310	0.9071	0.9679	0.6192	0.8050	1	0.6520	1.4397	1.1551	0.9678	0.8199	1.3976	0.3629	1.0696	0.9948	0.9099	0.9960	0.7694	0.9975	1.1246	0.6244	0.8067	0.4743	0.6878	1.0558	0.6722	0.6483	1.0224	0.8036	1.4998	0.6165	0.9435	0.7364	1.1788	0.8509	1.0115	1.0040	1.3649	0.9813	0.7403	0.5542	1.1276	0.7006	1.3142	0.9926	1.3371	1.2195	1.4360	1.2999	1.1831	1.1218	1.5636	1.5912	1.2405	1.3558	0.9299	1.3898	1.3552	1.0930	1.4002	1.0180	1.3076	0.6423	1.0480	1.2645	1.1639	0.9399	0.7891	1.4620	0.9636	0.7909	0.9064	1.1095	1.4674
gamma-glutamyltyrosine	gamma-Glutamyltyrosine	0.6228	0.6587	0.6404	0.8261	0.6127	0.8774	1.4580	0.5724	1.0486	0.9737	1.0471	0.9586	0.9129	0.4911	0.5299	1.2966	0.7951	1	0.8443	0.8393	1.0062	0.9580	0.9047	0.8021	0.5267	0.6387	0.7307	1.0170	0.6953	1.1118	1.1618	0.6561	0.7287	0.2748	0.7530	0.5674	0.4469	0.6469	1.2243	0.7559	0.7070	0.8668	0.9353	0.9127	1.2114	0.7971	1.4918	1.7969	1.8517	1.2696	1.3609	1.1984	1.4572	1.1788	1.2974	1.4908	1.2212	1.5278	1.7478	1.7343	1.2590	1.5368	1.2889	1.3204	1.0236	1.2698	1.3165	1.1606	0.9481	1.7990	1.0976	1.1252	1.4491	0.9377	1.2839
gamma-glutamylvaline	gamma-Glutamylvaline	0.4644	0.4031	0.6430	0.6922	0.8778	1.5039	1	0.2996	0.9819	0.6122	0.8074	0.5324	0.8737	0.4275	0.5694	0.7853	0.3819	1.1697	0.8867	0.8989	0.5139	1.4778	0.6410	0.7963	1.0852	0.7433	1.2932	0.5972	0.7245	1.2811	1.0159	0.7835	1.1045	0.6503	0.9883	0.7507	0.6269	0.5193	1.2048	1.1971	0.9709	0.5446	0.4602	0.7002	1.4362	1.4069	1.7409	1.3893	1.2426	1.1062	1.3035	1.1279	2.0077	1.8296	1.5506	1.7486	0.8269	1.4506	1.6406	1.4911	0.8348	1.2761	1.3668	1.3315	0.8033	1.0562	1.9601	1.5023	1.2462	0.9885	1.7618	1.1418	1.0323	1.8139	1.7492
gamma-tocopherol/beta-tocopherol	beta-tocopherol	0.8187	0.7776	1.4233	0.8425	0.8898	1.3617	0.9024	1.0645	0.4357	0.4801	1.1476	1.2177	1.1028	0.8459	1.0300	1.0064	0.9240	0.4717	1.1358	0.5879	0.6394	0.8134	0.5439	0.4355	1.3825	0.4797	1.1366	1.4899	0.5083	1.1033	2.2811	1.5389	1.1287	0.5165	1.2945	0.9999	0.4016	1.2982	0.8077	0.5237	1	1.3322	0.4644	1.1197	0.9628	0.7337	1.0770	0.9909	1.4603	0.7420	1.6782	1.3742	1.2978	1.2083	1.8098	1.6172	0.9673	1.1500	1.4946	1.2628	1.1567	1.1860	0.5332	0.9776	1.0274	0.9755	0.7081	0.6470	0.3972	1.8439	1.8443	1.0270	0.6900	0.6750	0.8012
gentisate	Gentisic acid	0.1749	0.8973	1.7349	0.5065	1.3440	1.0972	0.5601	2.4483	0.5408	2.0485	2.4628	0.4445	0.9253	2.9341	0.7084	1.3373	0.9480	1.6344	0.4025	2.1723	3.7482	1.4151	1.7357	0.8957	0.5734	0.5468	0.3542	2.2046	0.4039	1.2424	0.7794	0.6751	0.3515	0.8287	1.4106	4.2077	2.1431	0.8610	0.8485	0.9141	0.4797	2.0924	1.7786	2.1049	1.0919	1.2236	3.4716	0.9943	0.4938	1.7288	0.5922	1.3550	3.6995	0.9916	1.6477	1.5843	0.3650	1.3281	1	0.1944	0.5678	1.0505	0.8095	1.0849	16.4401	2.5438	3.3002	0.8490	0.6354	2.3101	0.5297	1.9175	0.8426	0.4204	0.8026
gluconate	Gluconic acid	0.5581	1.1615	1.1270	0.6046	1.0734	1.6284	1.0991	0.8442	1.3710	1.3709	1.2490	0.9477	1.0780	0.9268	1.0135	0.7291	0.8629	1.3899	0.9503	1.4633	1.2412	1.0616	1.3364	1.3582	0.8706	0.6069	0.4812	1.2869	1.0295	1.2914	0.8124	0.8639	1.1232	0.9508	0.6417	1.0026	0.9949	0.8659	0.9067	0.8958	1.4453	1.1940	0.9090	1	0.6335	1.2052	1.0121	1.1168	0.9791	1.0527	0.9533	1.1131	0.7485	0.9944	1.2325	0.8805	1.1078	0.6408	0.6487	2.5917	0.7819	0.9170	0.8175	1.0513	0.9737	1.5386	0.8992	0.6307	1.3986	0.8147	1.1977	1.1251	0.9721	0.6493	1.0196
glucose	Glucose	0.9281	1.0537	0.9591	0.9814	1.0601	1.1022	1.0495	1	0.9388	1.0747	0.9980	1.0080	0.9974	0.9166	0.9030	0.9318	1.0185	1.0788	0.9931	0.9799	0.9233	0.9116	1.1153	1.0444	0.9872	0.9273	0.9680	0.9938	0.8977	0.8425	0.9490	0.8401	0.9227	0.8067	0.9357	0.9655	1.0078	0.9467	0.9274	1.0011	0.9591	0.9286	0.9305	1.0072	0.9839	1.0619	1.0298	1.0574	1.0629	0.9679	1.1468	1.0507	0.8019	1.0002	1.0126	1.0816	1.0147	0.8786	0.9421	1.2374	1.0346	1.0217	1.0189	1.1839	1.0999	1.0727	0.9538	1.0641	1.0085	1.0505	1.4579	1.0014	1.0627	0.9632	1.0081
glucuronate	Glucuronic acid	1.1058	0.0933	1.7204	0.8272	0.9096	0.1062	0.2850	0.0584	1.7856	2.5421	1.9799	0.8076	1.2264	0.1279	1.0543	0.7474	0.9433	0.4477	0.5364	0.1172	1.6073	1.0601	0.0941	0.0887	0.9012	0.8602	1	0.1184	0.1191	1.1421	1.1249	0.0592	1.1542	0.2054	1.3480	1.0021	1.6425	0.4799	1.1868	0.0746	0.9653	0.0575	0.0879	1.4876	1.2151	1.3914	2.1397	1.8052	0.5360	1.3770	1.2537	0.7963	1.3691	1.8573	1.0203	1.6102	0.0829	1.2247	1.6221	0.3759	0.0933	0.2015	1.0833	0.3461	3.8715	1.7765	1.2871	1.2251	0.0704	1.3520	0.1553	1.2763	0.6936	1.0476	0.4125
glutamate	Glutamic acid	0.4376	0.4458	0.5376	1.1633	1.0414	1.2927	1.3955	0.6766	0.5644	0.7349	0.5407	1.1487	0.9065	0.6570	0.7719	1	0.9898	0.9878	1.1480	0.6683	0.7259	1.4474	1.2914	1.2895	1.0308	0.4888	0.6561	1.1253	0.5200	0.7279	2.2149	0.6092	0.6878	0.8968	0.5613	0.6650	1.1248	0.9311	0.4201	0.5482	1.2163	0.6365	0.5437	0.9349	1.0701	0.6747	1.6842	1.4235	1.9556	0.6186	1.0301	0.6440	0.3363	1.0366	1.0073	1.8001	1.1778	0.8325	1.5930	2.1290	1.5664	1.6748	0.7876	2.0988	1.9549	1.4033	0.7926	1.4768	1.1355	2.2848	1.6842	1.4852	1.5885	0.7838	1.4308
glutamate_ gamma-methyl ester	Glutamic acid, gamma-methyl ester	0.9635	1.0759	1.0553	1.1182	0.7483	1.0345	0.9096	1.1139	1.0333	0.7267	1.0267	1	1.1714	0.9531	1.2750	1.3154	1.3445	0.9592	1.1435	0.9533	0.9283	1.4136	1.3590	0.6164	1.0554	0.9427	0.9238	0.7589	0.9138	0.9672	1.4552	1.2678	0.8204	0.6499	0.8816	0.8672	1.0968	0.7922	1.2845	0.7656	0.7412	0.8832	0.8964	0.8396	1.1033	0.9734	1.1876	0.9358	1.0149	1.0292	0.7514	1.0672	0.9713	0.9450	1.2303	0.9092	0.8200	1.2427	1.4062	1.1578	1.2431	1.0990	1.0776	0.9209	0.9661	1.3093	1.0573	1.0006	0.9678	1.0841	0.9590	0.9112	1.3924	0.8915	1.0153
glutamine	Glutamine	0.8915	1.0507	0.8647	1.1128	0.9665	0.9983	0.8034	1.1836	1.0167	1.1026	1.0239	0.9672	1.1465	1.0966	0.9447	1.0779	1.0579	0.9505	0.8689	1.0574	0.9416	0.9584	0.9210	0.8418	0.7447	0.7215	0.9349	0.9261	1.0457	1.0452	0.9909	0.9792	1.0301	0.7225	1	0.9605	0.8532	0.7584	1.1672	0.9990	0.8724	1.0945	1.1131	0.9940	0.9972	1.0851	1.0034	1.0608	1.0269	1.2438	0.9177	1.2466	1.1595	1.0774	1.2808	0.9234	1.0783	1.0810	0.8948	0.9578	1.0565	1.0021	1.1102	0.9523	1.2075	1.1480	0.9104	0.9039	1.1206	1.1574	0.8484	0.9630	1.1704	0.9516	1.0910
glutarate (pentanedioate)	Glutaric acid	0.7261	0.8310	0.5198	3.6394	0.9808	0.6115	0.6626	1.1981	0.8998	0.5832	1.2264	1.0913	2.6171	0.8651	1.0612	0.8972	1.0308	1.6438	1.2476	0.4189	0.6048	0.7338	1.8136	0.9728	2.3610	0.4874	1.7271	0.4597	0.9665	1.3509	0.6825	1.0197	1.0374	0.4797	2.2611	0.5711	0.4354	0.5944	1.1568	0.9127	0.6851	0.5471	1.2099	0.4829	0.9611	0.7132	0.4139	1.4734	0.4642	0.6598	1.0459	1.4630	0.4171	1.3161	4.5100	0.6031	0.7449	0.8645	1	1.1280	1.7023	2.0884	1.4512	1.8797	1.2694	1.4719	1.0247	3.8977	1.5204	1.7437	1.3496	1.0826	0.6612	0.9054	1.2895
glutarylcarnitine (C5-DC)	CAR DC5:0	0.9390	1.1607	0.5263	0.6494	0.6052	1.0531	0.9598	0.9639	1.8924	0.9683	1.3258	0.5064	1.4313	0.6754	0.5177	0.6414	1.1911	1.1297	0.8979	1.2355	0.5391	0.7062	0.7086	0.6634	0.6242	0.9846	1.1821	0.7266	1.3652	1.3490	0.9161	0.8533	1.4820	1.0629	1.0191	0.7976	0.9054	0.9345	1.2984	1.1434	0.9678	0.7778	0.7860	0.8688	1.0816	1.3227	1.4813	1.1941	0.7910	1.5602	0.8414	1.3895	1.3980	1.4046	0.7672	0.9070	0.6927	1.1688	1	1.1114	0.7407	1.5932	1.3002	1.1099	1.4074	0.7547	1.7513	1.3470	0.7891	1.1070	0.6653	1.2321	1.1701	2.0439	1.2818
glycerate	Glyceric acid	0.7960	1.2600	1.2329	0.7248	0.8542	1.0192	0.9719	1.2829	1.2864	1.1445	0.8177	0.5614	1.3324	1.0853	0.7138	0.6916	0.7786	1.2494	1.0113	1.1601	1.3801	0.9933	1.2386	0.9064	0.7416	1.0611	0.6423	0.9106	0.9113	0.9403	0.8736	0.8685	1.2035	1.2464	1.0122	1.2003	1.2903	0.8356	0.7635	1.4992	1.5144	1.2892	1.3988	0.9581	0.4845	1.2664	0.9552	0.9973	1.0213	1	1.2094	1.0279	1.1511	1.0966	0.5287	0.7169	0.9662	0.6593	0.6591	0.6104	0.7028	0.9529	1.1012	1.0237	1.0992	1.5744	1.3088	0.9153	1.3461	0.4804	0.6049	0.7378	0.7384	1.1065	1.1428
glycerol	Glycerol	1.6805	1.2697	1.2747	0.9656	1.1215	1.1053	1.1806	1.3124	1.2300	1.5271	1.6009	1.5017	1.3239	1.0954	1.1294	1.6925	1.7468	1.7206	0.8835	1.3394	1.3678	0.9804	1.3275	1.4250	1.3983	1.2949	1.0005	0.8579	0.9875	1.9204	1.5632	0.8183	0.9847	0.9915	3.6217	0.6252	0.6289	1.1199	1.2323	1.0989	0.9722	1.3231	2.7766	0.8812	0.4438	0.5894	0.5490	0.3588	0.4989	1.1169	0.9224	0.8540	0.9332	1.1667	1.4863	0.8984	1	1.2990	0.9194	0.6720	0.6727	0.4606	0.6621	0.4192	0.5257	0.6130	0.3575	0.4990	0.4418	0.5156	0.7781	0.6133	0.5483	0.7165	1.1246
glycerol 3-phosphate	sn-Glycero-3-phosphate	1.2367	1.0459	1.3024	1.3133	0.6868	0.8929	0.6452	0.4339	1.1739	1.1502	0.6355	0.5028	0.8343	0.7138	0.8767	1.3512	0.9503	0.9518	1.1002	0.9731	0.3090	0.6895	0.6771	0.3322	0.6249	2.1678	1.1106	1.7972	1.9409	1.2989	0.8668	0.6805	0.8819	0.9483	0.7107	1.7804	1.8991	1.3954	1.3575	0.9019	0.4898	0.7982	0.4439	1.4468	1.0633	1.6584	0.8866	0.8659	0.6307	1.0247	1	1.0910	1.9621	1.5899	1.5386	0.9730	1.0474	1.1145	2.1163	0.9451	1.2872	0.7341	1.3038	0.5567	0.8481	0.8559	1.4230	1.1393	1.2159	1.8059	1.0768	1.3878	0.7285	0.9058	1.0943
glycerophosphoethanolamine	sn-Glycero-3-phosphoethanolamine	0.6183	0.5841	0.7365	1.0528	1.1425	1.2134	0.7287	1.1106	0.9957	0.8820	1.0211	1.0061	0.9706	0.9415	1.4156	1.3948	0.7648	1.2127	0.7344	1.0442	1.1383	1.2945	0.8186	1.1179	1.2474	0.8513	1.2378	0.9910	0.7554	0.8142	1.1631	0.8089	1.0232	0.7469	0.8629	1.0998	0.8674	1.0826	0.8132	0.5958	1.5469	0.8255	1	1.0242	0.9639	1.1378	1.2091	1.0324	0.8940	0.8589	1.4253	1.1475	0.7432	0.9159	1.0213	1.2993	0.8970	0.7801	0.8947	1.2065	0.9593	0.9942	1.2117	1.1845	1.4700	1.1800	0.7495	0.9074	1.7299	1.2613	0.9906	1.0649	1.2766	0.9754	0.8618
glycerophosphoglycerol	sn-Glycero-3-phosphoglycerol	0.3461	1.5576	0.6351	0.3461	0.3461	0.3461	0.3461	0.3461	0.6546	2.5897	0.3461	0.5954	0.3461	0.6236	0.3461	0.4222	0.3461	1.8185	0.6021	1.6014	42.8181	1.4434	0.3461	0.3461	0.3461	0.3461	0.5752	1.0174	0.3461	0.3461	1.0328	0.4834	0.3461	0.3461	0.3461	1.6606	2.8685	38.0625	0.8222	0.7699	0.9298	1.3042	1.0365	0.3461	0.3461	0.3461	1.8047	0.8648	0.4163	0.3461	0.8233	0.8086	0.3858	0.3461	0.5761	0.7305	0.3461	6.0975	0.3461	0.3461	1.7150	1.3981	0.7732	1.0926	0.3461	1.9029	1.5483	0.3461	2.2723	0.7919	0.6795	0.5557	1	1.1354	1.0991
glycerophosphoinositol*	sn-Glycero-3-phosphoinositol	0.7041	0.6601	0.8331	0.5089	0.5102	2.2024	1.4214	0.8154	1.6238	2.1239	1.2721	1.4061	3.4876	0.9358	1.9637	1.0756	1.0530	1	0.2848	2.9266	2.3683	1.5595	2.1250	2.7813	0.9398	0.6516	1.3408	1.0557	0.2008	1.0070	0.6250	1.6787	0.7085	1.8619	0.9167	0.5596	1.2785	1.4752	1.6456	0.5882	1.2586	0.6182	4.4742	0.3945	0.5036	1.9169	1.6947	0.8481	1.6009	1.3003	0.5321	0.8850	0.8870	2.6575	2.6652	0.8711	1.2862	0.1264	0.3349	1.2539	1.3647	0.4879	0.3739	1.6604	0.8928	0.5468	1.2845	0.9229	0.9687	0.1203	1.1526	0.5143	0.5065	0.3338	0.7376
glycerophosphorylcholine (GPC)	sn-Glycero-3-phosphocholine	0.4252	0.5674	0.7439	0.9259	0.9976	1.2117	0.6500	1.4837	0.8743	0.9730	0.8058	0.7759	1.0309	0.9426	1.1545	1.2379	0.8464	1.0488	0.6435	0.8406	1.1717	1.0065	1.1645	1.1238	1.1144	1.0889	1.0035	1.0931	0.6056	0.8074	1.0161	0.7512	1.4397	0.6522	1	0.9322	0.7281	0.7083	0.8217	0.6048	1.4426	0.8330	1.2017	0.9689	1.0601	1.3359	1.0435	0.8951	0.7731	1.5069	1.7788	1.3824	1.0696	1.2235	1.0527	1.1314	0.9469	0.8096	0.6741	1.0590	1.2828	0.7512	1.2785	1.4302	1.8172	1.2428	0.9978	0.8936	3.0011	0.9975	0.9182	1.0906	1.0052	0.8160	0.8751
glycine	Glycine	0.8252	0.9493	1.3616	1.0378	1.3705	0.9076	0.8296	1.0580	0.7678	1.9244	1.4902	1.0785	0.9013	1.1400	1.5912	1.2376	1.3425	0.8518	1.2499	0.9824	1.1245	1.2216	0.8714	0.8302	0.9091	0.7251	0.9572	1.1490	1.0219	1.0124	1.1789	0.9742	1.4285	0.4770	1.6639	1.0861	0.7278	0.6812	1.0160	0.8629	0.8247	1.5084	1.4060	1.4632	1.0773	1.2313	0.9174	1.1537	0.8049	1.3435	0.8637	1.5558	1	0.9572	0.9623	0.7788	0.9114	1.0233	0.7053	0.9099	1.0483	0.7646	0.9463	0.8523	1.2058	1.6022	0.9127	0.8237	0.8317	1.2735	0.7374	0.8573	1.0275	0.8784	1.0289
glycochenodeoxycholate	Glycochenodeoxycholic acid	0.3691	0.9384	1.2609	1.5602	0.9946	1.9766	0.6525	2.0656	0.6595	1.0816	2.2340	1.0168	0.6051	0.5863	2.2057	1	1.2915	1.1046	2.5719	1.1631	2.0220	4.5670	0.1031	1.5649	1.5794	1.4104	0.5236	1.3427	0.9195	1.6826	0.2272	0.2508	0.9520	1.4512	2.7186	1.8537	0.4630	1.1941	1.6731	0.3800	0.9142	0.7158	2.8764	4.8268	1.8620	0.6688	0.7395	1.4852	0.7266	0.7159	0.5856	0.4242	1.3824	0.4411	1.2905	0.7250	0.7050	0.9922	0.9657	3.7763	0.9561	0.5644	1.9815	0.1037	2.8670	5.4149	0.5883	4.4843	4.5768	1.5308	0.6948	0.7470	0.4334	0.5874	0.6903
glycochenodeoxycholate glucuronide (1)	Glycochenodeoxycholic acid 3-glucuronide	11.1034	1.3065	2.7784	0.4302	0.2481	0.7788	0.8724	1.4889	0.4855	1.3992	0.6682	0.1954	0.7118	2.0056	0.6091	0.9288	0.9204	0.4202	0.9570	2.1441	1.2493	2.2607	0.3966	1.1982	0.8526	0.4717	1	0.5513	1.4602	1.1572	0.5431	0.8232	0.7964	3.4197	0.7341	1.0159	0.9349	1.7656	0.8754	0.7893	2.2522	0.4467	2.1483	1.0996	0.6381	0.8397	1.0633	1.5649	1.6129	0.2398	0.7227	0.9054	1.3610	1.0966	1.0506	0.4668	0.1892	0.9390	3.1821	3.0471	1.7441	2.4374	11.8012	0.5529	9.1358	3.4673	0.5345	1.8074	3.9040	1.7881	0.4872	1.7360	3.2589	0.8471	2.2940
glycochenodeoxycholate sulfate		0.7431	1.4306	4.8174	0.9802	0.4668	1.4554	0.3247	1.3802	0.6328	0.6151	0.5803	0.9473	1.1559	1.4872	1.2625	0.9117	0.6657	0.9557	1.5749	3.6865	1.0903	2.0056	0.2739	0.9166	1.8786	0.6365	0.2106	0.2788	0.0628	1.3756	0.0628	0.8569	1.7938	2.0888	3.6849	3.1862	0.4898	1.2125	2.2811	0.9103	0.6540	0.6356	1.1188	5.4434	0.9465	0.1606	0.6951	1.6282	0.9288	0.7411	0.2958	0.4472	0.8345	1.5925	0.7287	0.3602	1.0198	1.4472	3.9827	2.1785	1.1256	1.9019	1.4697	0.2422	1.7360	3.5307	1.0732	3.8556	4.8173	1.5536	0.9430	0.8988	0.9767	1.1505	0.4947
glycocholate	Glycocholic acid	0.5110	1.8567	2.0462	0.8171	0.7471	1.9417	1.3592	0.9922	0.7777	1.1691	2.8344	1.1677	0.4706	0.4043	1.1925	0.7145	0.8506	1.2042	3.4295	0.7818	1.1577	3.1809	0.0966	0.4747	1.9092	1.1224	1.1320	0.4772	1.1062	0.9281	0.2820	0.3734	0.7102	0.5933	1.0822	0.9857	0.8672	2.2294	1.1960	0.3540	0.8544	0.9781	4.7384	6.4073	1.0265	0.2790	0.4865	1.8767	0.9617	0.6407	0.2135	0.4961	1.8252	0.3605	1.2598	1.2609	0.6586	0.9374	1.4822	5.8832	1.3797	0.7970	1	0.2391	5.1664	4.8352	1.6148	4.9884	4.0274	1.1554	0.7146	1.2660	0.2470	0.7267	1.1091
glycocholenate sulfate*	Glycocholenate sulfate	1.2167	1.3634	1.0754	1.2939	0.5224	0.8262	1.1348	1.1006	0.6014	0.9442	0.6588	1.0018	0.7789	0.9093	0.6580	1.5016	0.6907	0.3150	0.8421	0.8920	0.8879	1.0003	1.2625	1.5113	1.4410	0.5080	0.9823	0.4031	0.7562	1.2105	1.2956	1.0291	1.2060	0.6446	0.9133	0.7486	0.6215	0.6875	1.4461	0.3486	0.5461	0.8276	1.3552	1.2446	0.9362	1.2822	1.8050	1.0142	1.1978	0.9176	0.7603	1.2559	0.6391	0.8701	1	0.6326	0.7450	1.0682	1.5963	1.5410	1.1403	2.3882	1.5915	1.5794	1.1304	0.8031	0.5680	0.8764	1.0095	1.4193	0.6497	1.0670	1.9929	0.8905	1.4813
glycodeoxycholate	Glycodeoxycholic acid	0.7782	1.3877	2.2131	0.9970	0.4152	2.6485	1.5795	1.2395	0.2392	5.7480	5.4540	0.7039	0.4807	0.4913	2.3452	1.0030	0.9562	2.4364	4.3849	0.9118	0.6096	3.3453	0.2023	1.6726	0.7689	0.1564	0.7953	1.2500	1.6110	1.7230	0.7470	0.3498	0.3936	2.3305	0.7524	0.8926	0.5435	0.7406	0.3448	0.2175	1.1853	1.1084	2.6164	1.5748	0.1564	0.9721	0.9966	1.9317	1.0504	0.2428	0.7168	1.0771	2.2290	0.4286	1.0194	0.7831	0.1564	0.1564	0.5326	8.3261	1.1477	0.3348	1.3809	0.1564	5.5269	3.9075	1.1432	2.8228	5.5337	1.4332	0.1564	0.5680	0.7407	0.8577	0.8439
glycodeoxycholate sulfate	Glycodeoxycholate sulfate	2.6491	2.1790	4.4385	0.5924	0.2331	1.2938	0.5783	0.7103	0.2229	1.5669	0.9113	0.5409	0.8315	1.7338	1.2942	0.7733	0.7263	1.7066	1.9866	4.4794	0.4773	1.8272	0.5724	1.0058	1.3213	0.2229	0.3551	0.3987	0.9724	1.1093	0.2884	0.9829	0.6314	4.0439	0.7190	1.9958	0.5445	0.7793	0.4569	0.7389	1.0004	0.9996	1.4262	1.2388	0.2229	0.4170	0.6417	1.4487	0.4171	0.2440	0.4751	1.2216	1.2995	1.4193	0.4523	0.3988	0.2229	0.2229	1.3983	2.3892	1.0831	0.9626	2.9305	0.3203	3.7931	1.9052	2.1492	1.2011	3.3798	1.2838	0.2229	0.7080	1.6218	1.3392	0.4281
glycohyocholate	Glycohyocholic acid	0.2565	0.6987	1.4401	2.0176	0.8806	0.6998	0.2565	0.3784	1.2858	2.0934	2.7845	0.8017	0.5399	0.8098	2.4374	2.2704	1.8568	0.7574	4.9957	1.5052	1.0924	4.9903	0.2565	1	5.3936	2.2100	0.2565	0.2565	0.3667	1.8428	0.2565	0.4457	0.7967	0.8831	1.8975	4.7016	0.6706	0.8197	1.7000	0.7922	0.8142	0.7721	0.9922	5.4040	0.9243	0.2565	0.3421	1.1826	0.4470	0.4614	0.2565	0.6262	1.3040	0.4274	0.7417	0.2810	0.4696	1.7404	1.1165	0.6054	0.2565	1.9110	1.9420	0.2565	1.1777	5.1647	1.9685	4.4482	3.7908	1.2139	0.3564	0.9786	0.3093	1.3279	0.2565
glycolithocholate	Glycolithocholic acid	0.1953	1.3387	2.1280	1.0503	1.2697	0.9049	0.4661	1.4482	0.2303	0.9571	2.2849	0.5360	0.9846	0.5959	2.2234	0.8858	1.9330	0.8524	0.1953	0.3748	1.4653	1.7818	0.1953	2.6596	0.1953	0.1953	0.5151	1.1459	1.0344	0.4568	1.1530	0.3142	0.1953	0.6533	0.1953	1.7200	0.3203	0.1953	0.2597	0.1953	0.5561	0.9148	0.7395	4.1075	0.1953	0.9814	1.2093	0.9946	1.0054	0.6317	2.4221	1.5363	2.5189	0.1953	0.6418	0.6466	0.1953	0.1953	0.1953	7.8314	0.1953	0.1953	0.9841	0.1953	4.0059	1.5627	0.6418	2.8027	1.6355	2.7593	0.1953	0.1953	2.6540	0.1953	0.5014
glycolithocholate sulfate*	Sulfoglycolithocholic acid	0.5237	3.0017	3.9742	0.5878	0.5020	1.1286	0.8170	1.6187	0.8279	1.5577	1.9241	0.9243	0.9394	2.5245	0.7125	0.5955	1.1073	0.8353	1.0296	2.5492	1.4325	1.3514	1.1641	1.7803	0.1797	0.0717	0.2472	0.6837	1.3089	0.3793	0.5691	1	0.8343	1.9487	0.2673	2.6571	0.5610	1.4565	0.4227	0.9946	1.2131	0.9715	1.4210	4.2734	0.0340	0.6471	1.4158	1.3410	0.9853	0.4777	1.0621	1.4293	2.5786	1.0789	0.4459	0.6956	0.0222	0.0864	0.9711	2.8049	1.3741	0.5703	1.3360	0.4253	3.5838	1.3247	1.2001	3.1694	4.3250	1.5233	0.0163	0.4229	2.1796	0.7453	0.9832
glycosyl ceramide (d16:1/24:1_ d18:1/22:1)*	HexCer 40:2;O2	1.4306	1.1060	1.4244	1.0702	1.5569	0.5150	1.2675	0.9164	1.7062	0.5707	1.1816	1.1937	0.7678	0.8722	0.6048	1.0316	0.7223	1.2155	0.6525	1.3577	1.3039	0.8721	0.9799	0.9140	0.4462	2.0422	0.9878	0.5348	0.5608	1.6540	1.6990	0.7877	1.7432	0.6647	3.4162	0.9194	1.6312	1.3238	1.8740	1.5455	1.1326	1	1.2020	0.6509	0.8864	1.3124	1.6038	0.8771	1.4321	0.9345	1.0281	0.9957	1.0850	0.5230	0.8064	2.4956	0.5725	2.0071	0.9107	1.1476	0.3718	0.3273	0.7803	0.6899	0.8745	0.9709	0.4212	1.8251	1.0204	0.6790	1.0766	0.8372	2.6279	1.6928	0.6201
glycosyl ceramide (d18:1/20:0_ d16:1/22:0)*	HexCer 38:1;O2	1.1409	0.9446	1.2047	1.2146	1.2165	0.7234	0.8537	1.1301	1.9269	0.8464	0.8435	1.0142	0.6176	0.9922	0.7675	1.2542	0.8170	1.6051	0.9295	0.9900	1.3528	1.1715	0.6889	0.8535	0.4168	1.2945	0.9620	0.7450	0.8556	1.2051	1.0176	1.0014	1.4353	0.7619	1.0933	1.0752	1.1092	1.1159	0.9870	1.2594	1.0683	1.0162	0.7722	1	1.0462	1.7955	1.1949	0.7103	1.2132	0.9223	1.4149	0.6597	1.1541	0.7272	0.7686	1.4118	0.8105	1.5633	1.1117	1.2380	0.4245	0.4098	0.9115	0.8756	0.9007	0.8982	0.7435	1.0092	1.0446	1.0153	0.8975	0.8766	1.2055	0.8350	0.9472
glycosyl ceramide (d18:1/23:1_ d17:1/24:1)*	HexCer 41:2;O2	0.7518	0.2298	1.1690	1.5704	1.7698	0.7671	0.2852	1.2943	1.6340	0.7520	1.1656	0.9459	0.8255	1.4148	0.9006	1.0722	1.0627	1.8185	0.8704	1.0965	1.4884	1.4936	0.6610	1.1884	0.2666	0.8859	1.2621	0.4990	1.0022	1.1542	0.8396	1.1053	1.3241	0.8070	1.0744	1.0752	0.8525	0.8185	0.7537	1.2918	1.4843	0.8454	0.6657	1.2097	1.0289	2.0585	0.6566	0.1918	1.0429	0.6992	1.0284	0.7568	1.3879	0.9510	0.8716	0.9047	0.8504	1.8442	0.6645	1.2138	0.1322	0.5367	1.2128	0.5215	0.9968	1	0.2717	0.5720	1.2542	1.3615	0.9844	1.1080	2.2269	1.3220	0.5928
glycosyl ceramide (d18:2/24:1_ d18:1/24:2)*	HexCer 42:3;O2	1.3084	1.0667	0.7778	1.2007	1.3543	0.6875	1.0768	1.0794	1.3331	0.8668	1.2323	1.2539	0.9999	0.8665	0.9748	1.3263	1.5804	1.0329	1.0502	1.1927	1.1025	1.0636	0.7818	1.3247	0.6261	1.9695	1.2021	0.7088	0.7276	1.3904	0.9365	1.4090	1.6426	0.9054	1.6707	0.8844	0.6962	0.9156	1.3382	1.2366	1.2992	1.0319	1.0125	0.9451	1.1677	1.3162	0.8263	0.6786	1.0394	0.6670	0.8345	0.9630	1.0191	0.7647	1	0.8783	0.6572	1.4214	0.9617	1.2702	0.6315	0.4915	0.8786	0.6721	0.9331	0.9009	0.3400	1.0504	0.7782	0.9651	0.8274	0.9290	1.9691	1.2848	0.4197
glycosyl-N-behenoyl-sphingadienine (d18:2/22:0)*	HexCer 18:2;O2/22:0	1.0227	0.7951	0.8348	1.2908	1.1720	0.6886	0.7805	1.2660	1.3641	1.2105	0.9007	1.1510	0.7994	1.1039	1	1.6575	1.1864	1.1644	1.1718	0.9729	1.3689	1.1782	0.9004	0.9930	0.5584	1.2308	1.1120	0.7082	0.7703	1.0387	0.8841	1.1202	1.6067	0.8277	0.8973	1.3065	0.7642	0.9818	0.8596	1.0950	1.1040	1.1602	0.7604	1.0054	1.0683	1.6265	0.7991	0.6050	1.0730	0.9124	1.1956	0.7373	1.0570	0.6713	1.0139	0.9688	1.1630	1.5059	1.2458	1.2004	0.5212	0.5493	0.9191	0.8482	0.9978	0.8928	0.6252	0.7815	0.9098	1.1528	0.8369	0.9654	1.2170	1.0399	0.7918
glycosyl-N-nervonoyl-sphingosine (d18:1/24:1)*	HexCer 18:1;O2/24:1	1.0353	0.9922	0.9288	0.9826	1.3583	0.6912	0.8537	0.9591	1.3826	0.1503	1.0026	1.0935	1.0581	0.7496	0.8607	1.0016	1.3633	1.3948	0.7589	1.3687	1.4742	1.0554	0.9288	1.4552	0.6330	1.7917	1.1656	0.7516	0.8703	1.3425	0.8035	1.4511	1.3633	0.8617	1.3481	1.1600	0.6899	0.7558	1.1907	1.0700	1.4799	0.9232	1.0611	1.0571	1.1244	1.7450	0.9778	0.9436	0.9496	0.8805	1.1056	0.9984	1.3798	0.8390	0.9611	0.7822	0.7319	1.8602	0.9119	1.2793	0.5428	0.5680	0.9142	0.7347	1.3369	0.9302	0.1503	1.1311	1.0512	0.9409	0.7466	1.1494	2.0505	1.5651	0.6653
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)	HexCer 18:1;O2/16:0	0.9485	1.0406	0.7678	1.0600	1.1613	0.7875	0.9262	0.8727	1.5376	0.9583	1.1801	1.0764	0.8199	0.8232	0.9063	1.0552	0.9896	1.0770	1.0460	1	0.9114	0.9235	1.2802	1.3594	0.7623	1.4160	1.1011	0.9932	0.8058	1.1676	1.1595	1.0927	1.3710	0.7353	1.1553	1.0501	0.7663	0.9005	0.9048	1.0272	1.4296	1.0102	0.9797	1.0169	1.0909	1.0627	1.0199	0.9318	1.0764	0.7827	1.1992	1.0366	1.0505	0.8515	1.3272	1.0050	0.7632	1.3545	1.1658	1.1065	0.7073	0.5166	0.9606	0.8824	1.3334	0.7888	0.4928	0.9344	0.8337	0.9902	0.9726	0.8396	1.0930	0.9350	0.8533
glycosyl-N-stearoyl-sphingosine (d18:1/18:0)	HexCer 18:1;O2/18:0	1.0932	1.1497	1.4009	1.2157	1.2519	0.8794	0.8073	0.9390	2.1477	0.8966	1.1411	0.8520	0.6479	0.8904	1.1542	1.2264	0.8438	1.7597	0.8970	1.2243	1.1932	1.5337	0.7509	1.1130	0.5708	1.6093	0.9215	0.7504	0.9669	1.6201	1.2256	1.1552	1.5871	0.8278	1.3467	1.0700	1.0325	0.9798	1.1237	1.1081	1.5910	1	1.2292	0.9234	0.9834	1.8998	0.9707	0.6929	0.9888	0.8811	1.1962	0.7635	1.0898	0.8605	1.1235	1.3855	0.8027	1.8985	0.8971	1.8555	0.4304	0.3801	0.7662	0.8763	0.8060	0.8857	0.3017	0.8037	1.0751	0.8885	1.1486	1.0701	1.3927	0.8055	0.8937
glycoursodeoxycholate	Glycoursodeoxycholic acid	0.2510	0.4447	0.6490	0.6774	0.9871	3.8329	1.0028	1.2725	0.2579	0.5844	0.4235	2.7224	1.0607	0.4302	1.0985	0.7405	0.7527	1.7527	11.4692	0.5672	0.3819	3.7218	0.1074	0.6253	8.1994	0.2488	0.3037	1.7987	0.2243	3.5180	0.4770	0.4754	1.6817	1.5049	7.5412	1.0511	1.1198	1.0744	2.0536	0.1903	0.3661	1.0823	2.2770	1.5969	3.8858	0.2868	1	1.9937	0.6135	1.0961	1.0937	0.5394	0.7529	0.5746	0.3088	0.4602	0.2341	1.6458	0.8693	2.4116	0.5220	1.8283	5.8083	0.1022	3.1056	10.1435	0.2490	3.1174	3.7160	2.1807	3.1142	2.1256	0.4777	0.9727	0.2430
guanidinoacetate	Guanidoacetic acid	1.0118	1.0342	0.6592	1.6829	0.6099	0.5265	1.1227	1.7494	0.5192	1.1178	1.2930	1.1796	0.8800	1.8770	1.9941	1.5700	1.7581	0.6885	1.2216	0.6033	0.8510	0.6001	1.6481	0.6196	0.6682	1.1754	1.0843	1.0774	0.5518	0.7422	1.2847	0.5908	1.6763	0.4955	1.3513	0.9738	0.9288	0.7920	1.5688	0.9750	0.9618	1.1455	1.6701	0.6360	2.2568	0.8569	1.4770	0.6030	1.6859	0.9835	1.1100	1.9680	0.9109	0.8484	0.9453	1.3397	0.7588	0.6553	1.2464	1	1.3611	0.8916	1.6975	2.3451	1.0618	1.2368	0.8673	1.5156	0.4516	0.9596	1.1957	0.7182	0.9242	0.8949	0.7796
guanosine	Guanosine	1.0461	0.5105	0.8349	0.5105	0.5105	0.5105	1.2294	0.5105	0.5105	0.5105	1.3911	1.2644	0.5105	0.5602	1.7132	1.8097	0.8251	0.5105	0.5105	0.5105	1.4497	1.6260	0.5105	0.5105	2.0636	0.6056	0.5105	0.5105	0.8117	0.5105	1.5249	0.5105	1.1227	0.5105	0.9908	1	0.6922	0.5105	1.1129	0.5105	1.0472	0.5105	0.6508	0.7031	0.5105	0.5105	1.0741	0.9008	0.8334	1.1627	0.5473	0.5105	0.5105	0.5105	0.5105	0.5105	0.5105	0.5953	0.5105	0.7875	0.5105	0.6928	1.2150	0.8435	1.0873	1.2926	0.5105	0.5105	0.5105	0.5105	0.5105	0.5105	0.5953	0.5105	0.5105
gulonate*	Gulonic acid	0.5917	0.9357	0.9995	0.7139	0.7857	1.2489	1.2115	0.6927	1.2871	1.1744	1.1247	1.5013	0.2981	0.8222	1.0830	0.7993	0.6509	0.7527	0.2981	0.9518	1.3828	1.0227	0.7828	0.9747	0.7878	0.6921	0.8763	1.2899	1.0775	1.2469	0.9980	0.9083	1.2744	0.3685	0.7459	1.1471	1.0241	1.0557	0.8432	0.8138	0.9292	1.1299	0.8458	1.0427	0.8591	1.7422	1.4522	1.4971	1.0197	1.2951	1.2406	1.2587	1.0001	1.1307	1.2990	0.8908	0.9877	1.0484	1.1122	0.2981	0.7999	0.7645	1.1900	0.9358	1.1756	1.6065	1.2721	0.8780	1.1461	0.9999	0.7063	0.9565	0.7873	1.0462	0.2981
heme	Heme	3.5691	0.6954	7.2796	0.6986	0.4405	0.3722	2.2167	1.4026	0.9913	0.1969	0.3490	0.6418	0.1969	11.9885	10.4794	0.5453	1.3900	0.6664	1.2992	1.9221	0.1969	0.1969	0.1969	0.3130	0.4803	4.5598	0.7215	0.7647	16.9830	0.5646	7.1226	1.9455	5.3112	0.1969	0.4086	19.2550	0.4226	0.3815	3.6293	0.4145	0.3423	0.5221	0.1969	7.2398	1.8999	3.0128	2.6193	0.8434	0.8834	0.9576	1.1780	0.4348	0.6582	0.1969	2.9202	1.1149	0.2244	33.0395	2.6549	1.0337	0.8507	0.3843	1.4039	0.1969	0.3812	0.1969	0.1969	0.1969	0.1969	1.5765	0.5121	1.7228	1.0087	1.6865	0.1969
hexadecanedioate	Hexadecanedioic acid	2.2625	0.9311	1.2912	1.1474	1.2632	0.4274	0.5773	0.6040	1.1105	1.6151	0.4834	0.4554	1.1657	1.0563	0.8542	0.8196	1.0029	1.5484	0.5356	2.2501	1.9483	2.7299	1.7107	0.8662	0.7684	0.8580	0.4446	0.7508	1.1305	0.8340	1.0272	1.5365	1.0684	3.8318	2.2125	0.5619	0.5964	0.5195	1.3136	1.0855	0.4966	0.5110	1.6877	1.0061	2.3522	0.6559	0.8188	0.4965	0.7732	0.8977	1.1838	1.0861	0.5150	1.3026	1.0431	0.5159	0.5059	1.1834	0.9171	1	0.5002	0.6455	1.8012	0.3957	2.4858	0.7106	1.0727	1.1182	0.7893	0.6061	0.5925	0.4206	1.0979	1.2398	1.4093
hexanoylcarnitine (C6)	CAR 6:0	0.8055	1.1738	0.4228	0.6776	1.4321	1.3483	1.0445	2.6759	0.7293	1.1470	0.8515	0.8428	0.8644	1.6625	0.8480	0.8550	1.6005	0.7733	0.8539	1.1888	1.1020	1.5977	0.8094	0.8856	1.1430	1.0413	0.6560	0.6114	0.7975	1.0511	0.7549	1.0834	0.8584	1.5924	1.0051	0.5976	0.6409	0.5453	1.4075	1.0943	0.5071	0.8795	1.5495	1.0494	1.2331	1.1046	0.8765	0.9395	1.4557	1.1762	1.4362	1	1.0463	1.1342	1.7877	0.9930	1.3969	1.0725	2.0923	0.9657	0.8196	1.0541	0.9550	0.9682	1.3033	0.8575	0.5941	0.8422	0.7898	0.6508	0.8728	0.8297	1.5304	2.0176	1.8531
hexanoylglutamine	Hexanoylglutamine	0.7368	1.2544	0.5532	0.6927	2.1387	1.4453	1.4700	1.3111	0.4195	0.7984	0.7510	0.4418	2.1590	1.9031	2.4415	1.1979	0.9415	1.0666	0.5083	1.2541	1.2642	2.9040	1.3256	0.4937	1.4786	0.6878	0.2671	0.2179	0.5646	0.3352	1.4080	3.0314	1.2181	5.1794	4.7349	0.4382	0.2330	0.2228	1.7638	1.3609	0.0970	0.5890	2.0894	0.2819	1.2930	0.5095	0.5510	0.4982	0.4814	1.3040	2.3775	1.2848	0.7328	1.2604	2.2643	0.3205	1.4743	1.7272	2.7526	1.6485	0.4149	0.5841	1.4064	0.5194	1.5101	1.1307	1	0.6016	1.1941	0.2993	0.2220	0.1379	0.9967	0.8663	0.8920
hexanoylglycine	Hexanoylglycine	1.0405	0.3186	0.9342	0.3186	3.3974	1.3258	0.9963	0.9041	0.6218	1.5244	1.3973	0.3186	0.9015	0.3186	1.2496	1.2311	0.3186	0.6371	0.8287	0.3186	0.3186	1.8731	1.0563	0.3186	0.5667	0.8910	0.3186	0.3186	1.8620	0.5345	0.7791	2.8884	1.5297	0.4387	1.2427	0.3936	0.3186	0.3186	1.5215	0.4978	0.3186	0.3186	0.9447	0.6143	0.9642	0.7864	0.3186	0.6596	0.5021	1.1540	1.7611	1.5439	1.0703	0.6478	0.3921	0.3186	0.5747	1.0437	1.0164	0.4510	0.3186	0.3186	2.1862	0.3186	2.0109	1.2354	1.7245	0.4821	1.0037	0.3186	0.3186	0.3186	0.4076	1.1804	1.3522
hippurate	Hippuric acid	0.1736	0.7637	1.8908	0.2565	0.5221	1.2493	0.7837	0.2781	1.2225	2.5062	1.5210	0.3145	0.6561	1.1961	0.7312	1.3114	0.8275	3.8387	1.1534	1.5785	2.4104	0.4027	1.2294	3.3621	0.4016	0.2775	0.6281	0.7451	0.6643	1.5609	0.5941	0.1721	1.3997	0.2672	0.4177	2.9310	2.4307	1.3801	0.8371	0.6865	0.3816	1.2831	1.1692	1.6932	0.2559	3.1130	1.2100	1.1657	0.3057	1.3049	0.4220	3.9498	1.1288	0.4721	0.5439	1.4157	0.0776	0.9628	0.9068	0.2562	0.6956	0.5994	1.4050	0.9884	3.7658	0.6460	2.6573	2.8785	0.7157	1.6127	1.0889	1.0522	1.2354	1.6758	1
histidine	Histidine	1.2767	1.1451	1.0250	1.0683	0.9021	0.8208	0.8690	1.0156	1.1301	0.9574	0.9983	1.0749	0.9959	0.9580	0.7931	0.9219	0.9302	1.1394	0.8504	1.1427	1	0.9447	0.9735	0.9271	0.8781	0.8991	1.0134	0.9215	1.2438	1.0397	0.7528	0.8763	0.8306	0.6893	0.7885	0.9927	1.1497	1.1229	1.1100	1.1740	1.1125	0.9942	1.0438	1.2065	1.1237	0.9988	1.1401	1.0137	1.0542	1.2658	0.9593	1.0714	1.1808	0.9758	1.0278	0.7682	1.1218	0.9221	0.6905	0.9043	1.0632	1.0196	1.0350	1.0895	1.0225	1.1154	0.8827	0.8604	0.8775	0.9857	0.9453	1.0856	1.1215	0.8685	1.1493
homoarginine	Homoarginine	1.3779	0.7453	0.3491	1.3411	0.4436	1.0246	1.1852	0.9661	1.8238	0.5082	0.6023	0.6299	0.6048	0.8213	0.5266	0.8040	1.0593	0.9125	0.6538	1.0067	0.2653	0.9996	0.7101	0.6972	0.5613	2.0637	1.9037	1.1583	1.4707	0.9115	0.6506	0.6446	0.7411	2.0415	0.6062	1.1357	1.1502	0.5859	0.9555	1.3614	1.8116	0.4942	0.6662	1.0795	0.7766	0.7424	0.8529	0.8739	1.2826	1.4060	1.5066	0.7671	1.0082	0.9485	2.0252	1.2352	1.4864	1.1261	1.7341	1.4758	0.7073	1.3034	1.0766	0.9607	2.2680	0.4067	0.6745	1.1588	1	1.2957	1.6544	1.1853	1.1741	1.1769	1.3461
homocitrulline	Homocitrulline	4.3897	1.4781	1.0842	1.0294	0.8455	0.2353	2.1061	0.6824	2.3210	1.4310	1.9850	1.0417	0.4411	0.9390	1.9660	5.0841	0.7627	0.6867	0.6319	1.2546	0.7324	0.7468	1.9644	0.8634	0.7103	2.5188	1.0435	1.5752	0.6430	0.1330	1.3190	0.1330	1.2748	1.3512	0.8939	1.0869	3.9955	5.3450	1.3398	2.0019	0.4813	1.3327	1.3562	0.2552	1.3992	0.1330	2.1226	0.4229	0.9487	0.5315	1.3297	2.1878	0.7204	0.7678	0.4765	1.6254	0.1330	0.3369	0.9685	0.2111	1.1938	0.6943	1.7129	0.9323	0.6756	0.5919	3.3498	1.5396	0.9095	0.8537	0.9706	0.6947	0.4483	1.4338	0.2791
homostachydrine*	(S)-Homostachydrine	0.4412	1.8770	0.7640	1.5545	0.8325	1.5305	0.8170	1.1116	1.1778	1.9283	0.4623	1.2397	0.5615	1.0425	0.8595	1.3160	1.1069	1.0454	0.8602	0.7503	0.9784	0.4373	1.3832	0.5197	0.5460	0.5592	2.0969	1.0713	1.6021	0.5868	0.6381	0.5823	0.5019	0.4160	0.5216	1.4176	0.6701	2.1265	1	0.8780	0.2925	1.0152	1.3262	0.8513	0.9755	1.3584	1.1443	3.4664	1.0783	0.4715	0.4198	0.9503	1.1839	1.3091	1.0132	1.7636	3.0007	2.5397	0.9790	0.7395	2.1507	0.5655	2.3632	1.5137	2.6358	0.5416	0.8059	1.9912	1.4177	0.9719	0.6714	3.7300	2.9907	0.6176	0.5811
hydantoin-5-propionic acid	Hydantoin-5-propionic acid	0.3448	0.2794	0.2794	0.6998	1.2846	0.9438	1.1040	0.3837	0.9653	1.0872	0.9095	1.0759	1.5951	0.2794	0.2794	0.5906	0.2870	1.1434	0.4216	0.7893	0.2794	1.3984	1.4928	0.9125	0.9104	0.4636	0.5982	1.2449	0.6336	0.9801	1.4171	0.6623	1.2805	0.4779	0.2794	0.4323	0.9572	0.7921	1.1502	1.2096	0.5684	1.1563	0.2794	0.7157	0.9958	0.9712	1.6951	2.0712	1.5241	1.6124	1.1909	1.6888	1.3264	1.1209	0.7550	1.6644	0.8033	1.7580	1.1515	2.5210	0.2794	1.5615	1.6887	1.1225	0.5326	0.6690	2.2196	0.8244	1.0042	0.6479	2.4039	0.8676	1.3892	0.9409	1.4684
hydroquinone sulfate	Quinol sulfate	0.9744	0.7967	1.4314	0.5009	0.1695	0.7996	2.0334	1.3947	1.6849	0.8234	1.7319	1.2815	0.2447	1.0198	0.7805	5.5073	1.7632	0.4740	0.4307	0.7955	4.4506	1.7810	0.6703	0.2189	0.9507	0.7742	0.4241	1.5266	0.1525	0.8941	1.1146	0.5821	0.7259	0.1323	0.1894	3.1954	0.8417	0.9360	1.0662	2.0499	0.1323	1.2159	1.3881	0.9802	1.0652	0.1953	0.8139	1.7299	3.1172	2.1703	0.5154	2.0357	0.1323	0.9083	0.5737	2.5277	0.7277	0.8016	5.6205	0.4201	1.4080	1.0581	1.2148	3.0042	1.9730	2.0949	17.7919	0.4385	0.5139	2.7125	0.2337	1.6190	6.7976	1.7502	0.1323
hydroxycotinine	trans-3-Hydroxycotinine	0.0562	0.0562	0.0562	0.0562	0.0562	0.0562	0.0562	0.0562	0.0562	0.0562	0.0562	0.0562	0.0562	0.0562	0.0562	0.0562	0.0562	0.0562	0.0562	0.0562	0.0562	0.0562	0.0562	0.0562	0.0562	0.0562	0.0562	0.0562	0.0562	0.0562	0.0562	0.0562	0.0562	0.0562	0.0562	0.0562	0.0562	0.0562	2.4178	0.0562	0.0562	0.0562	0.0562	0.0562	0.0562	0.0562	0.0562	0.0562	0.0562	0.0562	0.7067	0.0562	0.0562	1.6824	0.0562	0.0562	0.0562	0.0562	0.0562	0.0562	0.0562	0.0562	1.0711	0.0562	0.9289	0.0562	0.0562	0.0562	0.0562	0.0562	0.0562	0.0562	0.0562	0.0562	0.0562
hyocholate	Hyocholic acid	1.1373	0.4388	0.0967	1.6511	0.0967	1.5162	0.4891	0.0967	0.9888	1.6124	0.0967	0.4294	0.0967	0.0967	1.3083	0.3017	0.0967	0.2599	0.3430	0.3929	0.3832	0.9374	0.0967	0.5423	1.8601	0.0967	1.1475	0.7573	0.0967	1.2833	0.1742	0.7094	1.5543	0.0967	1.5073	1.0112	1.5687	2.7697	2.6797	0.5134	0.5554	0.0967	2.6073	4.9171	3.5666	0.0967	0.0967	0.9412	0.0967	0.9044	0.0967	1.3083	0.3925	0.4364	0.9486	0.0967	0.2909	0.8712	4.8181	0.0967	0.6592	1.6021	0.9038	0.7427	0.0967	2.4490	1.3558	1.4121	1.4790	0.4428	1.8733	1.3641	1.0275	2.5193	0.0967
hypotaurine	Hypotaurine	0.6663	1.2057	0.6563	1.1517	1.2171	1	0.9696	1.6085	1.2980	0.9348	1.3463	0.5755	1.1865	1.1199	1.8953	1.1996	1.0167	0.8114	0.5773	1.5855	0.8638	1.8489	0.6836	1.2185	1.1975	0.4779	0.6394	0.3437	0.4513	1.0821	0.8055	0.8819	0.8593	0.5822	1.2229	0.9612	0.8172	0.4774	0.7726	0.7787	0.9209	1.3436	1.0499	0.8350	0.7978	1.3481	1.3568	1.1552	1.3840	2.0783	1.0914	2.8445	1.0165	0.8344	0.7751	1.0809	0.5992	0.2038	0.4156	1.2784	0.2364	1.4565	1.0805	1.6109	0.8513	1.4608	1.0005	0.7439	0.8227	1.0710	0.5960	0.6451	2.1095	0.9703	1.0373
hypoxanthine	Hypoxanthine	0.6921	1	0.9862	0.8893	0.9292	0.9565	1.8681	1.1060	0.9818	0.5120	0.9202	0.9672	1.0451	0.7538	1.3868	1.0788	1.2691	1.6535	1.5969	1.3096	0.8473	0.5340	1.0342	1.5383	1.2751	1.6323	0.6620	0.8212	1.6245	1.3243	1.3321	1.1615	0.6690	1.1535	0.4730	0.8001	0.7509	0.9266	1.5503	0.7431	0.8880	0.6125	1.3084	0.6859	1.3514	0.6370	1.5979	1.3157	1.3469	0.7321	0.8616	0.5424	0.7011	1.4504	1.9750	0.9254	1.0833	1.3739	0.9080	1.8275	1.4531	1.9084	1.1877	1.2149	0.7487	1.2108	0.5708	0.9192	0.5780	1.3979	0.5721	1.7167	1.0712	0.8164	0.8554
ibuprofen	Ibuprofen	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
imidazole lactate	Imidazolelactic acid	0.8401	1.2426	1.5492	0.9629	0.9934	0.5993	0.6231	0.7916	1.1077	2.5778	1.1110	0.6467	1.3115	0.4940	0.7733	0.6573	0.7004	1	0.6884	1.5318	1.5133	1.0440	1.2379	0.6365	0.8192	0.6105	0.7691	0.8643	1.8843	0.9024	1.1315	0.4264	1.1205	0.7103	0.8216	1.5989	1.5696	1.3013	1.9660	2.4093	1.0860	1.0368	1.3376	0.8127	2.0767	1.4142	1.8292	0.6967	0.6560	1.7958	0.7529	1.0117	1.4314	1.0812	0.6784	0.8079	0.8678	1.6269	0.3895	1.1608	0.8636	0.6940	1.4964	1.1445	1.0603	1.1370	0.8076	0.8603	1.1546	0.7712	1.0046	0.6037	0.6604	0.9354	1.8851
imidazole propionate	Imidazole propanoate	3.6942	0.7880	0.5873	0.9019	0.2410	4.6108	2.5064	0.5017	0.6962	0.6284	0.8825	1.2575	3.6252	0.8162	0.7408	0.6867	0.3284	0.8155	8.5710	1.7717	0.5142	0.5019	0.9494	0.5945	1.8766	0.4018	0.7427	0.7508	0.8813	0.9553	0.8965	2.5441	1.9714	0.6506	1.7876	0.8663	1.3174	0.8380	1.0376	1.2511	0.2519	0.6299	1.5617	0.7694	4.3797	1.4503	1.4397	1.0968	1.0433	1.5246	0.7687	0.7575	1.6039	1.3244	1.2846	1.4134	1.1405	0.8894	1.0294	0.7461	1.1923	2.0131	1.8623	2.0589	4.3792	1.0056	0.9894	0.8874	1.0511	1.0684	1.3452	1.3066	0.9467	0.8791	1
iminodiacetate (IDA)	Iminodiacetate	1.8905	2.0891	0.9921	0.7700	0.9171	0.8375	0.9240	1.1112	1.0993	1	0.8591	0.8027	0.9814	1.3089	0.9075	0.9279	0.9982	1.2050	1.5274	1.1470	1.0964	1.1718	1.0249	0.8844	0.8751	1.1191	0.7597	0.8664	1.8747	0.8175	0.8654	0.9766	0.9832	0.8686	0.9942	1.1648	1.0216	0.9249	0.8181	1.1151	1.1349	1.2547	1.3526	1.6191	2.0925	0.9849	0.8059	0.9510	1.0183	1.0076	1.0290	0.9385	1.1416	0.8639	0.8952	0.9942	1.1492	1.6972	1.3756	1.0902	0.9034	1.2996	1.3225	1.0072	0.8962	1.0442	0.9374	0.9063	0.9835	0.9395	0.8393	1.0454	1.0554	1.2453	1.0956
indole-3-carboxylic acid	Indole-3-carboxylic acid	0.9419	1.0540	1.1547	0.5841	0.9684	0.9983	0.9264	0.9252	1.2359	1.1146	1.3564	0.7249	0.7843	1.1655	1.0017	1.0245	0.7005	1.0875	0.5300	1.2374	0.8281	1.1151	0.6805	0.8665	0.4622	0.7073	2.6639	1.0337	1.0543	1.1171	1.0962	1.4420	0.8692	0.8208	1.0188	1.4007	2.9247	1.1548	0.8160	0.7637	0.7694	0.9022	0.7054	1.4150	0.6625	1.3478	0.8384	1.7810	1.4242	1.4796	0.8002	0.9881	1.1538	0.9384	2.7078	1.3259	0.6576	0.9160	1.2171	0.7255	1.0660	0.8191	0.8102	0.5890	0.7487	0.4622	2.2876	0.6671	1.4465	1.2315	0.9937	0.9565	1.0236	1.9486	2.0279
indoleacetate	Indoleacetic acid	0.3956	0.8348	3.5939	0.9507	1.2607	0.4816	0.5058	0.4041	1.1079	1.3922	1.0740	0.6636	0.7400	0.7087	1.3004	0.8782	1.0439	0.6875	1.5194	0.8128	1.1416	1.0208	0.9175	0.7364	0.6382	1.0753	0.7604	0.7613	0.5453	1.0813	0.8235	1.1653	0.4855	0.9123	1.3460	1.0711	1.2699	1.7308	0.4739	0.7681	0.8975	0.7745	0.7601	2.8918	1.1334	1.1816	1.6955	1	1.4475	0.9998	0.6926	1.0689	1.0608	0.8124	1.5482	0.5727	2.2694	0.7726	0.9026	1.0259	1.5203	0.7600	0.8239	0.6802	1.1638	0.9005	1.5128	1.1418	1.3927	1.1909	1.2713	0.6079	1.0637	1.6264	3.8446
indoleacetylglutamine	Indoleacetyl glutamine	0.1830	0.1830	2.8551	0.6534	1.1566	0.8577	0.6541	0.1830	0.4284	2.7659	1.1227	0.9340	0.4287	0.1830	0.9984	0.8015	0.6685	0.2992	1.4516	0.4741	0.6610	0.2869	0.1830	0.2757	0.3507	0.1830	1.0450	1.2696	0.1830	1.1555	0.7078	1.1651	0.3168	0.1830	0.1830	1.4196	0.5204	0.7589	0.3590	0.1830	0.6146	0.7060	0.2939	2.0630	1.5196	1.8419	3.5816	2.2061	1.6673	1.2264	1.1870	1.6880	1.2790	0.8504	5.0095	2.2707	3.4498	0.6593	1.9917	2.5348	1.9523	0.8751	0.8553	0.8646	1.0016	0.9423	2.8194	1.0551	0.3191	1.7016	0.8038	1.3719	1.1177	0.9349	8.6626
indolelactate	Indolelactic acid	0.6816	0.6895	1.5038	0.6703	0.5426	0.5086	1	0.6511	1.0661	0.9319	1.1248	0.7222	0.8464	0.5722	0.8951	1.2956	0.5622	0.9428	0.6021	2.2535	1.4557	0.8806	1.1296	0.6432	0.5593	0.7055	0.4975	1.3269	0.6617	1.4478	1.4579	0.5705	0.5339	0.8665	0.9010	0.9862	1.8234	1.2385	2.4740	0.9101	2.6088	1.1035	0.4412	0.7993	1.3377	1.4545	1.4490	1.3373	1.1541	1.4332	0.5671	1.6663	0.8376	0.8040	0.8892	1.5233	0.8378	0.9228	1.1220	1.3598	1.4826	1.0302	1.2303	1.1464	1.3181	1.8971	2.2219	0.7979	1.5024	1.7306	1.1990	0.8787	0.9496	1.7318	1.6891
indolepropionate	3-Indolepropionic acid	0.3975	0.9121	2.8523	1.3103	0.7553	0.5279	2.0990	2.5322	5.0341	3.2550	1.3011	0.1998	0.1082	3.4263	1.8718	3.0049	4.4395	1	0.3981	2.5380	4.9395	0.4738	1.3779	2.4611	0.0943	1.8516	0.3772	0.6452	1.3987	2.1299	0.8100	0.4614	1.1076	1.2949	0.6196	2.2704	3.3632	2.5610	0.9797	0.8340	0.4260	3.1819	0.5862	1.1399	0.9056	0.8342	1.2780	2.1499	0.7965	0.9150	0.8674	2.3978	1.5918	0.5430	0.4849	0.7713	0.0068	0.4096	3.2111	0.3551	0.7236	0.9859	1.7426	0.7630	3.4362	2.2946	1.0827	0.7898	0.7120	2.7847	0.4975	2.3596	1.8242	0.6042	0.4240
indolin-2-one	Indolin-2-one	0.5464	0.8951	0.5649	0.7830	1.6198	0.9139	0.4011	0.4011	0.4753	0.5841	2.9392	0.6783	0.4011	1.0036	0.4603	0.6302	0.4011	1.6668	1.8887	0.8062	0.8826	0.4011	1.4514	2.1150	0.4011	0.6865	0.4011	0.4011	0.4188	1.0343	0.4871	0.6287	0.7247	1.5643	0.4011	1.2984	0.4011	0.4011	1.5158	0.5894	1.2980	1.1093	1.2867	4.0446	0.8387	0.9994	1.1959	1.4358	0.6658	0.9573	0.7146	1.5399	2.8702	1.1227	0.4011	1	0.4011	0.4011	2.6238	0.4011	0.4472	0.4011	0.7957	1.6323	0.4011	0.4590	1.1229	1.1928	1.5383	2.7790	0.4011	0.4011	1.6758	1.0931	0.8431
inosine	Inosine	1.2231	0.6755	1.3272	1.0974	1.9125	0.6413	1.2337	0.8041	1.2526	1.1109	1.7110	1.0615	1.0941	0.5715	1.9177	1.4806	1.3315	0.8679	0.6122	0.9037	1.8262	1.7613	0.9289	0.8585	3.0479	0.9584	1.0451	0.2926	0.5701	1.3032	2.0414	0.6275	1.2490	0.5281	0.8366	1.0478	0.7350	0.3410	1.3262	0.4792	0.6802	0.6564	0.8949	1.0414	1.0242	0.5413	1.2295	1	1.3284	1.5764	0.9846	0.8615	0.5118	0.7406	0.9823	1.3895	0.6895	1.0198	1.1816	1.0362	0.4883	1.4059	2.0196	1.3378	1.3033	1.7290	0.7056	1.0358	0.2381	0.8153	0.3213	0.4602	0.5754	0.6483	0.9991
inosine 5^-monophosphate (IMP)	IMP	0.3218	0.9279	0.6902	0.4555	1.5942	1.1910	1.5113	1.9559	1.6536	0.5831	1.2695	1.5729	1.1628	1.2704	2.4683	2.0314	0.5736	0.8312	0.1158	1.8244	2.0756	2.1630	0.6066	1.8694	1.9431	0.2714	0.7072	0.1158	0.2221	0.4505	1.6369	0.2259	0.1158	0.3897	0.1334	0.6234	0.3129	0.1162	0.1158	0.1158	0.5684	1.0052	2.0448	1.1635	0.2403	0.3007	1.6041	1.2888	1.8287	1.5060	0.3244	1.3531	0.1158	0.1158	1.1985	1.3834	0.7797	0.1158	0.6427	2.6063	0.3227	2.5836	1	1.4905	0.9195	1.5446	0.1158	0.4613	0.1158	0.2173	0.1158	0.1158	0.5303	0.1158	0.7190
isobutyrylcarnitine (C4)	CAR 3:0;2Me	0.6954	0.8074	1.3259	0.4937	0.8282	1.5672	0.5385	0.6360	1.4639	2.2003	1.1066	0.7462	0.5402	0.6677	0.6699	0.7601	0.8703	1.3882	0.8347	1.4972	0.9459	1.1797	0.7688	1.1379	0.7567	0.9638	1.2490	0.7743	0.9844	1.1342	0.5775	0.5950	1.1999	0.9902	0.3163	2.8257	0.5430	1.3853	1.1595	1.7805	3.4573	0.8758	0.4297	1.9674	0.8242	1	1.1021	2.0915	0.9049	1.0580	0.8791	0.7738	2.1120	0.7691	0.9226	1.4351	0.8713	0.9618	1.2323	1.2945	0.7815	1.5848	0.9075	2.5455	0.8471	1.1044	7.0533	1.0717	2.8852	1.2094	3.2249	1.3494	2.1275	2.3915	1.1974
isobutyrylglycine	Isobutyrylglycine	0.6399	0.4281	1.4327	0.3613	0.6665	0.8151	0.3613	0.9642	1.0514	1.8693	1.2433	0.3613	0.3613	0.3613	0.3613	0.7248	0.3613	1.0887	0.8873	0.6437	0.3613	1.0337	0.3613	0.3613	0.3613	1.2742	0.9439	1.0534	0.8271	1.3303	0.6186	0.6218	1.0847	0.3613	1.1149	0.3613	0.8945	1	0.3613	0.9359	1.6382	0.3613	0.4589	1.2049	0.3613	1.1901	0.7309	1.2812	0.7377	0.7816	0.6988	0.8045	1.4664	1.1560	0.7729	0.9909	0.7947	1.0405	0.3613	1.0651	1.2368	0.7257	1.3027	1.0344	0.9394	1.2732	3.4343	0.8798	1.7658	0.8434	1.5488	1.0275	0.9377	1.2283	1.1075
isoeugenol sulfate		0.2333	0.2333	0.2333	0.2333	0.2333	0.2333	0.4747	0.2333	0.2333	0.2333	0.2333	13.5096	0.2333	0.2333	0.8010	0.6975	0.2333	1.0888	0.2333	0.2333	1.8498	0.2333	0.2333	0.2333	0.2333	0.2333	0.2333	0.2333	0.2333	1.2611	0.2333	0.2333	0.2333	0.4542	0.2333	0.2333	0.2333	0.6279	1.0094	0.2333	0.2333	0.2333	0.9906	0.2333	0.2333	0.2333	0.2333	0.2333	0.2333	0.2333	0.2333	0.2333	0.5398	0.2333	0.2333	0.2333	0.2333	0.2333	0.2333	0.2333	0.2333	0.2333	0.3930	2.3084	0.2333	0.2333	0.2333	0.2333	3.6867	2.0195	0.2333	0.2333	0.2333	0.2333	51.8132
isoleucine	Isoleucine	0.6739	0.9580	0.8005	0.9037	0.8159	1.1099	1.0186	0.9284	0.7087	0.7348	0.9391	0.8488	1.0877	0.6854	0.8159	1.1425	0.7519	0.9564	0.8454	0.9281	0.7421	1.0629	0.6175	0.9619	1.0535	0.9949	1.0895	1.1683	0.8943	1.1553	1.1730	0.7569	1.0534	1.1410	1.0963	0.9762	0.8803	0.8585	1.1914	1.1046	0.9238	0.9235	0.8391	0.9365	1.1632	0.9921	1.1064	1.2234	1.0386	0.9019	1.0079	0.9959	0.9418	1.1395	1.3535	1.2735	1.0729	0.9774	1.0698	0.9713	1.0367	1.1005	1.0702	0.9958	1.2998	1.0884	1.2617	0.9994	1.1953	1.3349	1.3528	1.1169	1	1.2161	1.2167
isoleucylglycine	Ile-Gly	0.4606	2.7796	0.9135	0.4606	0.4606	0.4819	0.4606	0.9549	1.0914	1.1691	0.8322	0.4606	0.4606	0.4606	1.8596	1.1549	0.4606	0.4606	0.4606	0.4606	1.1997	1.2288	0.4606	0.4606	0.4606	1.5749	0.4606	0.4606	0.9404	0.5271	0.4606	0.4606	0.4606	0.4606	0.8943	1.0132	0.7777	1.1829	0.4606	1.4253	0.4606	2.9520	0.8209	0.7188	0.7791	3.1160	0.8445	2.0159	0.7699	1.0082	0.9649	1.0945	1	0.8590	0.4999	2.3500	0.5361	0.4606	1.0433	0.8070	0.4606	0.7519	2.8662	0.7487	0.7153	1.4948	0.6864	0.4606	1.6397	1.2799	0.4606	0.4606	0.4606	0.4606	1.0719
isovalerate	Isovaleric acid	0.3280	0.6518	0.3280	0.8730	0.6426	0.6975	0.3280	0.5684	0.8810	0.7516	0.7728	0.7579	0.8569	0.4653	0.6991	0.3280	0.3280	1.2622	0.7157	0.5643	0.6120	0.9660	0.6691	1.1436	0.6486	0.8979	1.3542	0.9515	0.7464	1.2078	0.8583	0.6989	1.2549	1.3850	0.7704	2.0216	1.9190	1.4347	1.7168	2.1094	2.3056	1.9959	2.0856	1.9032	0.6198	0.9692	1.0366	0.3280	0.9442	0.5195	0.9578	1.0308	0.7587	3.2230	1.0873	1.2562	0.9455	0.4754	1.3802	1.4584	1.2514	1.1146	1.0887	0.8663	1.0707	0.8745	1.1179	1.1901	1.2048	1.1883	1.5173	1.4841	1.9172	2.3569	1.7759
isovalerylcarnitine (C5)	CAR 4:0;3Me	0.6226	0.7620	0.5571	0.8740	0.6967	0.9768	0.8935	0.8124	1.1449	0.7335	0.8321	1.0125	0.8249	0.5059	0.3636	0.5051	0.5979	1.3979	0.8742	0.6813	0.6500	0.7299	1.0574	0.8274	0.7329	0.4967	1	0.9486	0.5672	1.4102	1.0080	0.5840	0.7771	0.8659	0.2989	1.1955	0.9042	1.3335	0.8460	1.0704	1.2171	0.9683	0.4261	1.1524	1.1300	1.0152	1.2846	1.6580	1.6530	0.5203	1.3230	1.1451	1.4051	1.6831	1.4159	2.3739	1.2737	0.7024	3.2730	1.6998	0.9566	2.2307	1.4215	0.9449	1.3450	0.7336	1.5431	1.2430	1.5388	1.1050	1.4735	1.7560	1.7324	2.5314	1.6945
isovalerylglycine	Isovalerylglycine	1.2446	0.3071	2.5973	0.9272	0.8371	1.0106	0.7736	0.3080	1.3877	2.2727	2.3990	0.7579	0.6918	0.2364	0.9747	1.4031	0.6388	0.6807	1.1293	0.8072	0.9544	1.1594	0.6701	0.5534	0.2364	1.1064	1.4800	1.2426	0.9635	1.3336	0.6740	0.4504	1.0827	0.2364	0.6337	1.9712	1.4387	1.3719	0.6543	0.9409	1.5534	1.7370	0.2364	1.5838	0.6699	0.6752	1.1604	1.8850	0.6927	0.5441	1.1024	1.3911	2.0846	0.9471	0.6304	1.3444	0.5511	0.9894	0.9381	0.4579	0.5904	1.4670	1.8640	0.9598	0.9719	2.2443	3.8342	1.1954	5.2436	0.7329	1.1242	1.1863	0.7031	2.4286	1.5227
kynurenate	Kynurenic acid	0.5695	0.5405	0.8073	0.5706	0.8594	0.8842	1.3948	0.9017	1.1404	0.9076	0.8084	0.5808	1.2662	0.5762	1.0124	1.2096	0.5067	1.3228	0.4746	0.7854	1.3885	0.6143	1.2928	0.7712	0.8745	0.6230	1.2143	1.2229	0.6827	1.3333	1.0210	0.7247	0.9648	0.6640	0.8089	1.9910	0.8754	0.4718	1.3190	0.8810	0.8125	0.8661	0.3771	0.8934	0.9227	1.0072	1.1554	1.4311	1.2663	1.0116	0.7884	1.0045	1.1121	0.9214	1.1164	1.1259	1.0390	1.3146	0.9603	1.5454	0.6033	2.0047	1.2949	1	1.3387	1.6755	1.3238	0.9176	1.0515	1.0491	1.1609	1.6152	0.9814	1.2355	1.5813
kynurenine	Kynurenine	0.5480	0.6529	1.1502	0.5817	1.3660	0.9125	0.9685	0.6143	1.2628	1.1099	1.1906	0.7957	0.9941	0.6438	2.1833	1.0747	0.6296	1.0240	0.7591	0.8578	1.0490	0.8280	0.9248	0.8236	1.1151	0.8156	1.0901	1.1726	0.6931	1.4152	0.9725	1.0042	0.7489	0.5238	0.9331	1.3161	0.8242	0.8046	0.8957	0.7678	0.8778	0.9212	0.6469	0.9432	1.0366	1.1350	0.9945	1.6130	1.2297	1.1197	0.8637	1.1178	0.9829	1.0921	0.9334	1.4624	0.9351	1.4510	1.0004	0.9261	0.7899	1.0326	1.6216	1	1.7521	1.1771	1.5371	1.6662	1.0571	1.4009	1.1801	1.1584	0.8317	1.0422	1.4860
lactate	Lactic acid	0.8997	0.8413	1.1030	0.6585	0.7232	0.8783	1.0724	1.0395	0.9378	0.7832	1.0066	1.0207	0.7901	0.8851	1.0193	0.9817	0.9115	1.2312	1.0544	1.1399	0.8997	0.7674	1	1.0250	0.8580	1.0319	0.8218	1.3628	0.9859	0.9335	1.5430	0.8309	1.0047	0.7866	1.0573	1.0935	0.8678	1.0438	0.9704	0.8156	1.0357	0.8515	1.0032	1.2203	0.8713	1.3151	1.0716	1.2256	0.9268	0.9805	0.7925	0.8919	0.7690	1.5386	1.5407	1.3337	0.8779	1.3374	0.9628	1.3861	1.5547	1.0667	0.8823	1.1093	0.7670	1.1616	0.8409	0.9001	0.6926	1.1389	1.5925	1.1876	1.1301	0.7461	1.1139
lactosyl-N-nervonoyl-sphingosine (d18:1/24:1)*	LacCer 18:1;O2/24:1	1.0556	1.0157	0.7199	1.6278	1.3555	0.9653	0.7194	0.9382	2.0580	0.9999	1.3419	1.2871	0.9965	0.8634	1.5035	2.1362	1.0836	1.1126	0.8585	1.3951	2.0225	1.2464	1.3554	0.6310	0.6652	1.1808	0.9377	0.9604	0.8634	1.5516	0.6798	1.2881	1.6220	0.8771	1.8220	0.8392	0.7422	0.6973	0.8319	1.3675	1.3335	1	1.1555	0.8485	1.0889	1.3518	0.6855	0.6648	1.0433	0.9629	1.1618	1.2038	1.2386	0.9194	0.9874	0.7252	0.8164	1.9291	0.7644	0.9987	0.8787	0.7128	1.0792	1.0896	1.0702	1.3124	0.6691	0.6986	1.4172	0.6923	0.8336	0.9187	1.7782	1.1163	0.5555
lactosyl-N-palmitoyl-sphingosine (d18:1/16:0)	LacCer 18:1;O2/16:0	1.0611	1.1424	0.8091	1.3301	0.9967	0.9086	1	0.8675	1.2416	0.7269	1.5452	1.1293	1.0190	0.8294	1.2117	1.3416	1.0317	0.9315	1.0276	1.1703	1.0513	0.8195	1.3255	0.7913	0.6567	1.7668	1.0652	1.1384	0.7363	1.1350	1.0139	1.1194	1.3682	0.9217	1.3014	0.6173	0.8967	0.7395	1.0853	1.2674	0.9897	0.9182	1.5263	0.7317	1.0369	1.1683	0.9295	0.8173	1.1328	0.8185	1.0788	1.2115	0.9190	0.8896	1.0353	0.8527	0.6627	1.3791	1.0589	0.9769	1.0745	0.7488	1.0055	0.9925	0.7533	1.1142	0.5867	0.8481	0.9655	0.7397	0.9263	0.7296	1.2486	0.8130	0.6372
lanthionine	Lanthionine	1.0487	1.3244	1.5531	1.1282	0.8987	0.8478	1.5659	0.8228	1.1016	2.2181	1.3596	1.3940	0.4936	0.7784	1.2473	1.3662	0.7546	0.7572	1.0427	0.7363	1.3335	0.6419	1.1644	0.6308	0.7946	0.8259	2.4138	0.9906	1.1709	0.8361	1.4145	0.8644	1.0271	0.8179	1.5489	1.5347	0.9634	1.2921	0.9564	1.0175	0.6209	1.1225	1.1409	0.6756	0.9988	1	1.8272	1.1670	1.2564	0.9703	1.1302	2.3415	1.2184	0.9066	0.8936	1.0435	0.6130	0.9381	1.8833	0.7727	0.7308	0.6135	1.9331	0.9685	1.2053	0.7845	8.0894	0.9161	1.1693	0.6184	0.6585	0.8269	0.7155	1.2433	0.6318
laurate (12:0)	Lauric acid	1.1039	2.4693	1.1076	1.1424	1.4222	0.9592	1	1.6946	2.0647	0.6858	0.9635	1.1639	1.6816	2.3478	1.4710	3.5493	1.3265	2.3407	0.8670	1.6266	2.4071	1.0179	1.1434	1.2737	1.1414	1.2257	0.6909	0.5955	1.2288	1.8839	0.9603	0.6686	1.1412	0.6142	2.7854	1.8639	0.5752	0.5160	1.4565	1.3675	0.6710	1.0249	3.7492	0.9340	0.7454	0.6343	0.6596	0.3556	0.8520	0.5587	0.5708	0.8859	0.6923	1.1405	1.6402	0.8683	1.6514	3.6350	0.6972	0.4098	0.5468	0.7323	1.2338	0.5070	2.3022	0.6771	0.6120	0.7170	0.5884	0.3596	0.7652	0.5349	0.4245	0.7964	1.2534
laurylcarnitine (C12)	CAR 12:0	0.8714	1.6509	0.3057	0.6639	0.8851	0.6907	1.0560	2.6420	1.5169	1.2203	1	0.5573	1.4437	1.2117	0.8125	0.9582	0.8966	1.1340	0.4495	1.5300	0.7552	1.3021	0.7939	0.9386	1.1113	1.6486	0.4861	0.3996	0.5319	0.8160	0.8369	1.6032	0.9972	0.8874	1.6442	0.4496	0.4628	0.3356	1.7804	1.3885	0.3429	0.8500	1.8507	0.6931	1.8981	1.1073	0.6317	0.9036	1.1949	1.2277	1.4152	1.0803	1.7568	1.4105	1.4766	0.9417	1.0299	1.6428	1.0188	1.0119	0.6346	1.5776	0.9374	0.8824	1.5219	0.7885	0.6047	0.7542	1.5027	0.5255	0.5336	1.0325	1.0310	3.4294	1.5622
leucine	Leucine	0.6597	0.8632	0.8368	0.8931	0.8176	1.0321	0.9981	0.9893	0.8330	0.8580	0.7472	0.7909	1.0645	0.7720	0.7159	1.0677	0.6687	1.1023	0.7472	0.9688	0.7314	1.0478	0.7544	0.9221	0.9508	0.9013	1.0345	1.1559	0.9500	1.0460	1.1028	0.8372	0.9365	1.0238	0.9057	0.8952	0.8626	0.7865	1	1.2182	0.8690	0.9078	0.6961	0.9634	1.1494	1.0337	1.1494	1.1901	0.9812	1.0148	1.0208	0.9935	1.1360	1.1436	1.2493	1.1987	1.1211	1.0289	0.9826	1.0291	0.9705	1.1255	1.0894	1.0226	0.9489	1.0129	1.1426	1.0561	1.2266	1.2543	1.3589	1.1609	1.0670	1.2325	1.2536
leucylglycine	Leu-Gly	1	0.7316	1.3246	0.4093	1.0524	0.8995	0.7421	1.3618	1.1942	0.8621	0.9471	0.4093	0.4093	0.4093	1.6574	1.4275	0.4093	0.4093	0.7443	1.6167	2.4428	1.1711	0.4093	2.1096	2.0896	0.8745	0.6248	0.4093	1.0852	0.4093	0.4093	0.4093	0.4093	0.4093	0.4093	0.4093	0.4093	0.4093	0.4093	0.8192	0.4093	1.4551	1.3692	0.7464	0.7687	0.4093	0.8467	1.1568	1.3531	0.5383	0.4093	0.7312	0.5168	0.4959	0.5118	0.9921	0.8180	0.4093	0.4093	1.5062	0.4093	1.8792	1.0740	0.6277	1.2553	1.6992	0.4093	0.4093	0.7746	0.4093	0.4093	0.4093	0.4093	0.4093	1.0428
lignoceroylcarnitine (C24)*	CAR 24:0	0.7410	0.7029	0.6129	0.8590	0.7593	0.9876	0.9268	1.2605	0.9597	2.1212	0.8080	0.9720	0.7936	1.7058	1.2775	3.2442	0.8074	0.8587	0.9989	0.7791	1.5312	1.3450	2.0104	0.5863	0.9938	0.4236	0.7423	0.8052	0.8678	0.8587	0.9535	0.6750	1	0.7432	1.2331	2.9105	0.7845	1.0589	0.5207	0.7814	1.0121	1.1361	0.7081	1.0267	0.8265	1.5657	0.8355	1.1951	1.2520	1.0540	1.8459	0.7947	1.0388	1.1097	1.4700	2.8763	1.6436	1.6351	2.3971	1.4337	0.8171	0.9438	1.3628	1.4028	2.1785	0.7708	3.9823	0.6893	2.0257	1.1543	1.1954	1.5017	1.1458	0.9163	1.4270
lignoceroyl sphingomyelin (d18:1/24:0)	SM 18:1;O2/24:0	0.9889	1.0253	1.0947	1.2444	0.8851	1.3743	1.0183	0.9715	1.2435	1.7568	1.0950	0.8416	0.6676	0.8227	1.5130	1.4423	0.6990	0.9265	1.2686	1	0.8615	1.1837	1.1455	0.6817	0.8453	1.3556	0.9298	1.2344	1.1939	0.9768	0.6629	0.8547	1.1242	0.8961	0.8040	1.1412	0.9234	1.4603	0.6153	0.7741	0.9872	1.2601	1.1651	0.8319	1.1657	1.1869	1.4238	0.8600	0.9182	0.9333	1.1421	0.8301	0.7568	0.8914	1.0126	1.4213	1.0987	1.3482	1.8430	1.7386	1.1357	0.9674	0.9869	1.2961	1.1020	0.8006	0.7877	0.6518	0.7607	0.9566	1.1922	1.2823	0.9123	1.1028	0.7788
linoleamide (18:2n6)	Linoleamide	0.0092	0.6260	0.9694	0.9508	0.4721	0.6750	2.7077	1.8891	2.2115	1.4272	1.0598	1.3169	0.8864	0.2806	0.3320	1.2122	1.9562	1.5473	0.7982	1.4260	1.1959	1.9414	0.9658	1.3232	1.1115	0.4147	1.9744	1.0837	0.2110	0.6587	0.0859	1.1102	1	1.5777	1.5647	0.6444	0.5022	1.8149	1.7783	0.6633	0.9753	1.0666	0.4293	0.3974	0.9004	0.8156	0.8120	1.0760	0.2969	2.4084	3.1021	1.6897	2.3770	1.9827	2.1072	1.1532	0.7776	0.3726	1.9011	2.5240	1.0845	0.6628	1.8196	0.4619	0.5595	0.6418	3.2104	0.1887	0.7685	2.1371	0.2687	0.1752	0.3828	0.2730	1.4379
linoleate (18:2n6)	Linoleic acid	1.2469	1.2577	1.1651	1.2308	1.3026	1.2406	1.6642	1.5951	0.9101	1.3315	0.9922	0.8648	1.2119	1.2501	1.1955	1.5823	1.2343	1.1194	0.9885	1.1879	1.4339	0.9422	1.4140	1.1296	1.4082	1.3071	0.5156	0.9310	1	1.2891	1.5637	0.8365	1.2271	1.6000	1.7100	0.5141	0.5021	0.7012	1.0947	1.1619	0.7718	0.8415	1.7520	0.8597	0.8139	0.7386	0.9158	0.4450	1.0657	0.8593	1.0365	1.1636	0.6375	1.4909	1.2464	0.8066	1.1527	1.0644	0.9623	0.9393	0.8026	0.8487	0.6764	0.6960	1.0009	0.8884	0.8018	0.9019	0.4982	0.6161	0.8435	0.5124	0.7681	0.7453	0.6535
linolenate [alpha or gamma; (18:3n3 or 6)]	Octadecatrienoic acid	1.4280	1.1334	1.8359	1.4331	1.5569	1.2123	1.8614	1.7377	0.8155	1.0514	1.0220	1	1.1995	0.9810	1.2693	2.0247	1.3534	1.2333	0.8896	1.2237	1.9313	0.9101	1.4500	0.7797	1.6737	1.1750	0.5296	1.1427	1.1626	1.7901	1.4760	0.7937	1.3372	2.0016	2.5152	0.5167	0.4029	0.8518	1.5297	1.2626	0.5329	0.7377	2.5599	1.2594	0.8608	0.6933	0.8912	0.3818	1.2284	0.8886	0.9763	1.2174	0.5891	1.5868	1.5066	0.8615	0.9735	1.0295	0.7121	0.8280	0.6361	0.9600	0.6017	0.5720	0.4219	0.7694	1.0297	0.8912	0.3074	0.7608	0.7694	0.5799	0.7191	0.8989	0.6414
linolenoylcarnitine (C18:3)*	CAR 18:3	0.5894	0.7521	1.1851	0.7606	0.7428	1.2933	0.6906	1.4831	0.7624	0.8575	0.8070	0.8536	1.1876	0.7691	1.6519	0.7086	0.9597	1.1216	1.0956	0.8657	1.2555	0.6896	1	0.5670	0.7894	0.4488	0.4634	1.0124	0.8384	0.9138	0.8764	1.0879	0.9209	1.4392	0.9650	0.7979	0.3770	0.8517	1.0547	0.6214	0.6484	0.5106	1.1316	1.6161	1.6064	1.2546	1.0273	2.0023	1.4534	1.0322	1.2286	1.1907	0.9923	2.0909	1.9412	0.9087	1.1017	1.6986	0.7613	1.4173	0.9593	1.6908	0.6011	1.1766	0.9659	1.1433	1.0682	0.9654	1.0499	1.7101	0.5365	1.9369	1.1906	1.3762	1.1041
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]*	DG 18:2_20:4	1.0819	1.0656	1.1290	0.6895	0.7693	1.4807	1.3065	0.7436	0.6591	1.1412	1.4061	1.3038	0.9540	0.3854	0.9254	0.5597	0.7233	1	1.2149	0.6015	0.4346	0.8415	0.7899	1.1243	0.8576	2.8142	1.0508	3.0178	1.1899	0.6463	4.6379	0.5419	0.9757	0.7284	0.9213	0.2950	0.5416	1.3491	0.6185	0.7001	1.4377	0.9272	1.0384	0.9775	0.5640	1.0077	0.7480	0.6917	1.2058	1.1592	3.7465	2.9806	0.6534	1.0760	1.9845	2.3143	1.0312	1.1009	1.7404	1.3537	2.5969	1.0278	0.5578	1.7934	1.0197	0.8128	0.4593	1.1672	0.4533	1.1236	1.1264	0.7496	0.8592	0.5028	0.4957
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]*	DG 18:2_20:4	0.9060	0.9930	1.1438	0.7143	0.8757	1.6666	1.2745	0.6800	0.8608	1.1522	1.6692	1.4176	0.9173	0.2795	0.9155	0.7331	0.7423	1.5255	1.2182	0.5491	0.5313	1.0272	0.8050	1.0732	0.8726	2.7975	1.1432	2.9051	1.5832	0.7155	4.4801	0.6290	0.9734	0.7159	1	0.3378	0.5281	1.1876	0.5602	0.5861	1.3711	0.8524	0.8628	0.9703	0.6690	1.3104	0.8038	0.6987	1.1399	1.2847	4.3981	2.8686	0.6895	1.1327	2.1076	3.0150	0.9172	1.4412	2.0603	1.5611	2.7549	1.0535	0.6983	1.8580	1.2221	0.7521	0.4831	1.1824	0.6207	1.3976	1.3279	1.1094	1.0632	0.5017	0.5939
linoleoylcarnitine (C18:2)*	CAR 18:2	0.5503	0.8868	0.9797	0.7474	0.7239	1.0202	0.9033	1.3354	0.7992	1.5219	0.9125	0.7526	1.0244	1.0081	1.6902	0.8630	1.1131	1.0243	1.2501	0.7107	0.9550	0.6280	0.8126	0.7577	0.9004	0.7058	0.5648	1.0184	0.7713	0.8574	0.7687	1.1297	1.0768	1.3674	1.1173	0.8726	0.4221	0.7769	1	0.5752	0.8021	0.5639	1.0070	1.2728	1.2266	1.3937	0.9647	1.8110	1.3311	0.9589	1.1688	1.1984	1.0610	2.4221	2.1091	0.8244	1.0077	1.8622	0.8298	1.8027	1.2072	1.4677	0.6901	1.4711	1.5575	1.1103	0.9473	1.0195	0.8977	1.3603	0.5739	1.2794	1.3909	0.8280	0.9096
linoleoylcholine*	alpha-Linoleoylcholine	0.5981	0.3006	1.4970	0.7850	0.4883	2.0168	1.1277	1.1131	1.7540	1.9466	1.2496	0.7549	1.2146	0.9637	1.4706	1.1617	0.4426	0.6038	0.3460	3.8469	2.0819	2.1514	0.7936	1.0778	0.5922	0.2548	1.0523	1.4832	0.0877	1.4612	0.7392	1.1522	1.0198	0.4350	0.3187	0.6659	1	1.3659	2.0600	0.2949	1.0807	0.9843	1.3989	0.2815	0.4255	1.5332	1.9301	1.0260	1.2121	1.0408	0.5784	0.6833	2.3572	1.8385	1.6693	1.2914	1.2904	0.1404	0.3513	1.5492	0.8626	0.3302	0.6807	1.2738	0.9536	0.7654	1.3020	0.4835	1.1292	0.2682	0.5216	0.7581	0.2573	0.1868	0.2444
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [1]*	DG 18:2_22:6	1.4085	1.5722	2.5324	0.6799	0.6915	1.4407	1.5389	1.0545	0.8360	0.2169	3.7407	1	1.0064	0.5183	0.6517	0.7208	0.9888	0.8811	1.9237	0.6206	0.4539	0.9004	0.5056	1.4816	0.4091	2.2590	2.2614	4.2304	2.7296	0.8318	3.6296	0.3548	0.7601	0.8306	1.3703	0.1310	0.8192	2.9670	0.8576	2.0223	1.4221	1.0672	1.1410	0.5177	0.3367	2.5891	1.4803	0.6299	1.6388	0.7446	1.5293	0.7446	0.3678	0.1363	1.0447	2.1901	0.9491	1.0254	1.4470	0.5989	2.5293	0.9918	1.2499	2.1499	0.3422	0.5663	1.1001	1.7999	0.6791	1.1814	1.0766	1.4956	0.4064	0.2102	0.7268
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [2]*	DG 18:2_22:6	1.3820	1.1297	3.1843	0.6189	0.3572	1.6923	1.2635	0.8093	0.8425	0.1706	3.5758	1.0626	0.7329	0.5346	0.4606	0.8187	0.7656	1.4106	1.6496	1.1453	0.2807	1.4572	0.6803	1.4256	0.4578	2.3141	1.8643	3.4521	3.5626	0.7857	3.3769	0.3672	0.6031	0.8062	1.3622	0.3893	0.7528	2.5312	1.0020	1.4123	1.3055	1.0302	0.8780	0.6963	0.3523	3.0204	1.1796	0.9480	1.2588	0.6792	1.1335	1.3130	0.5639	0.3685	0.8557	2.1992	0.6468	1.3913	2.1908	1	2.1008	1.0198	1.1345	1.7400	0.4836	0.5744	0.7260	1.1023	0.6438	0.5899	0.9808	1.0846	0.4506	0.5101	0.6475
linoleoyl ethanolamide	Linoleoyl-EA	1.0305	0.4833	1.0433	1.1233	1.3334	1.8538	3.3267	0.2270	0.9179	1.7648	1.4092	0.9901	1.1762	0.4632	1.5733	1.4573	0.9672	0.9271	1.2650	0.2270	0.9909	0.3442	0.7981	0.7670	1.3939	1.0324	0.9795	0.6994	0.9317	1.3137	1.5525	0.4000	0.8356	0.9076	1.2908	0.6882	0.2559	0.7981	1.3247	0.7816	0.9837	0.2270	0.5424	0.6056	1.1515	0.8433	0.7517	1.1261	1.1124	1.0754	0.8639	1.3184	0.8590	2.1191	1.6099	0.8770	0.2270	1.3140	1.3790	1.2939	1.8873	1.6335	0.4720	0.9757	0.8254	1.0967	1.0973	1.2776	0.2270	1.7723	0.3843	0.8495	1.0091	0.7301	0.2270
linoleoyl-linolenoyl-glycerol (18:2/18:3) [1]*	DG 18:2_18:3	2.0385	1.9760	3.2856	0.3284	0.7506	0.8110	1.2837	1.6464	0.3896	0.2348	1.4594	3.0153	1.0342	0.8199	0.4903	0.2628	1.0150	0.4985	1.7922	0.5187	0.6099	0.7712	0.8703	0.4135	0.5806	0.6342	0.8510	6.3479	1.2451	0.3234	7.0347	0.4597	0.8460	1.0190	0.7022	0.3587	0.7179	4.7385	0.9116	1.1813	0.3180	1.2839	1.2326	1.9974	1.4811	1.7205	3.5670	2.1517	6.1242	1.6962	3.4633	1.4401	0.8957	0.8929	1.9068	1.8139	0.8746	1.3522	0.6198	1.0632	1.9789	0.3907	0.3267	1	0.2906	1.6129	1.6222	1.5822	0.3679	3.2209	1.1023	0.9583	0.8131	0.2741	0.6488
linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]*	DG 18:2_18:3	0.9544	1.1174	3.0618	0.5256	0.6735	1.4529	1.1347	1	0.6468	0.6719	1.2223	1.9202	1.1158	0.3842	0.9258	0.4881	0.8206	1.2038	1.4478	0.5961	0.9562	0.7643	0.6098	0.7160	0.6909	0.8072	0.7544	4.0643	1.7315	0.7901	5.3186	0.5334	0.7942	0.5013	0.4408	0.4609	0.4384	1.8241	0.7814	0.6100	1.2419	1.3397	0.8226	1.7117	0.8764	1.6938	1.7440	1.8764	3.1081	2.4510	3.2057	2.4793	0.7470	1.3176	1.4023	1.9075	1.1628	1.5218	0.9036	1.8952	1.6246	0.8338	0.6023	2.0505	0.8441	1.4535	0.7502	1.0658	0.4299	2.4243	1.1323	1.3576	1.7683	0.4393	0.6293
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]*	DG 18:2_18:2	1.4499	1.4153	2.9637	0.3198	0.7205	0.9630	1.1597	1.2552	0.7147	1.0035	1.0754	1.9174	1.7462	0.4200	0.6788	0.2649	1.0496	0.7613	1.2729	0.7360	0.6558	0.7811	0.5997	0.7715	0.9078	1.0507	0.4760	2.7395	1.5547	0.4263	5.2826	0.4566	0.7290	0.9589	0.5791	0.3979	0.5441	1.8645	0.8128	0.9398	1.1151	0.9324	0.9144	1.3714	0.9099	1.6380	1.2621	1.7322	3.1450	1.7985	4.1335	1.7354	0.9766	1.5449	1.4810	1.2844	1.0764	1.5620	0.7450	1.3993	1.5682	0.6009	0.4604	1.0793	1.1696	2.0061	0.9261	1.2730	0.3711	2.1920	1	0.8220	0.8984	0.3538	0.5766
L-urobilin	L-Urobilin	0.1263	4.7980	0.5083	1.1975	0.9014	0.1263	0.1263	0.1263	0.6978	1.2046	2.3127	0.1263	0.2226	0.8690	0.6825	2.6865	1.6350	0.2524	0.1263	0.1263	1.2061	1.9077	0.1263	0.1263	0.1263	2.6204	0.1263	0.1263	0.1263	0.1263	3.1731	0.1263	0.2460	0.1263	0.1263	0.1263	1.6801	0.1263	0.7768	0.1263	0.8020	0.1263	0.1263	3.1268	0.1263	0.6809	1	0.2879	2.0470	0.1263	1.7297	0.5742	1.0458	0.5552	5.0926	0.1263	0.1263	0.1263	3.6813	0.5096	0.7851	0.1263	0.1263	0.2339	0.1263	0.3404	0.1263	3.7036	1.8061	0.3668	0.1263	0.1263	1.4073	0.3562	3.0455
lysine	Lysine	0.9270	0.7302	0.7766	1.1718	0.9076	0.9536	0.8402	1.0128	0.9435	0.7824	0.9217	0.9622	0.7758	0.8847	0.5576	0.8770	0.8663	1.0080	0.8660	1.0917	0.5467	1.1805	0.8846	0.8371	0.6285	1.0455	1.2969	1.0835	1.1475	1.0124	1.0408	0.6914	1.0883	0.7277	0.8366	0.8418	0.8223	0.7377	0.9220	1.2159	1	0.9948	0.6829	1.0449	0.9849	1.1601	1.0194	1.1624	1.0660	1.0650	1.1214	1.0677	1.1916	1.2016	1.1303	1.0111	1.2164	1.2561	0.8093	1.1905	0.8310	1.1183	1.1514	0.9925	0.6596	0.7737	0.7960	1.1185	1.1968	1.1182	1.1442	1.1423	1.2232	0.8548	1.2583
malate	Malic acid	1	1.0221	1.0937	0.7944	0.8836	0.9271	1.0083	1.1209	1.1930	0.9702	1.1334	0.6264	0.8489	1.2324	1.4374	1.3329	1.0422	1.1675	0.8311	0.9846	1.3726	0.9595	0.8917	1.0226	1.1718	1.2075	0.8312	0.8904	0.9299	0.8155	1.1913	0.9310	0.8511	0.6437	2.1032	1.3326	0.7486	0.7849	1.1621	1.2326	0.7481	1.1984	1.3276	0.9416	1.0320	0.9360	0.8543	0.9314	1.2054	1.2682	0.9818	1.0802	1.1521	1.2933	1.4993	0.8879	0.9193	1.0480	0.8267	1.1472	0.7901	1.0475	1.0484	0.9174	1.0432	0.9834	1.0378	0.8438	1.2995	0.6742	0.7042	0.6642	0.8110	0.7291	1.2063
maleate	Maleic acid	0.7707	1.4075	1.1847	0.7923	1.1618	1.2173	0.7319	0.6726	0.7318	1.3562	0.8273	0.8301	1.0996	0.9911	1.6020	1.2202	1.2451	1.0998	1.1599	0.9842	1.7677	1.1354	0.9324	0.8704	0.9721	0.8493	0.8254	1.2603	1.3098	0.7780	1.7470	0.7174	0.9294	0.7211	1.0972	1.0672	0.9243	1.0324	0.9325	1.4540	0.7088	0.8720	0.9051	1.2595	0.9925	0.9264	1	0.9382	0.9966	0.9798	1.4622	1.0937	0.9202	1.2028	1.0670	1.0049	0.7553	2.7887	1.4076	1.3757	0.9103	0.8118	1.0918	0.9426	1.8144	1.3978	1.2995	0.9350	1.0223	1.2727	1.0564	0.7835	0.9955	0.8887	1.0507
malonylcarnitine	CAR DC3:0	1.2280	1.0160	1.1048	0.7988	1.0210	1	1.4049	0.4807	0.7910	1.7033	1.0918	0.8664	1.0820	0.4828	1.2305	1.0397	0.9195	0.9898	0.6985	1.1400	1.0887	0.4493	1.0429	0.9160	0.7007	0.8131	0.5875	1.0684	0.7357	0.9331	1.9322	0.5137	0.7339	0.8831	0.6581	0.8461	1.2070	1.0374	1.0141	0.7024	0.8089	0.9922	0.8333	0.8911	1.0065	1.7288	0.8390	0.9310	1.4453	1.0388	1.6431	1.4085	2.6496	1.1194	0.9317	1.2037	0.5217	1.4372	0.8253	1.4935	0.7018	0.9161	1.1622	1.5059	1.0231	1.2203	0.9934	1.0556	0.4013	1.4922	0.8018	0.7664	1.3080	1.0178	0.6754
maltose	Maltose	0.1480	0.5559	1.6212	1.0366	2.2018	1.4467	1.4826	1.4094	1.2788	1.8412	2.2530	1.0814	0.6564	0.7846	2.2718	1.5611	1.1752	0.4582	0.1480	0.1480	2.1923	2.4112	0.6501	2.4253	3.8699	0.3166	1.0329	0.1480	0.1480	1.0928	2.8798	0.1480	0.7959	0.7989	0.6558	1.6357	0.4552	0.9671	0.4564	0.1480	3.5355	0.5364	0.7678	0.1480	1.0475	0.4451	1.4016	0.9090	1.1525	1.2853	1.2659	1.0980	0.1480	0.1480	0.7709	1.7801	0.8238	0.2700	0.8758	0.5841	0.1480	0.9052	0.7411	0.6312	0.9514	1.7876	0.5354	0.3671	0.2028	0.5379	1.1052	0.1480	1.0564	0.5514	0.5198
maltotetraose	Maltotetraose	0.1933	0.1933	0.9833	0.2413	1.6323	1.3537	1.0462	0.6445	1.3414	0.1933	0.6908	1.4449	1.9709	0.3669	0.1933	0.1933	0.7150	0.8080	0.1933	2.0240	2.5420	0.1933	0.1933	0.1933	0.1933	0.1933	0.3009	0.1933	0.1933	0.1933	1.4472	0.1933	0.1933	0.4050	1.2415	0.1933	0.4367	1.3149	0.1933	0.2557	1.8295	1.0179	2.1623	0.1933	0.1933	0.3402	2.3577	0.8048	1.0927	0.8555	0.2073	0.1933	0.1933	0.1933	0.1933	3.1032	0.2695	0.1933	0.1933	1.4876	0.1933	1.5763	0.1933	1.0167	0.1933	0.3555	0.1933	0.1933	0.1933	0.1933	0.3276	0.1933	2.0205	0.2952	0.2300
maltotriose	Maltotriose	0.3795	0.7015	0.8977	0.6589	1.3889	1.8340	1.6911	1.6299	0.9894	0.7983	1.0106	1.4010	1.1535	1.0628	1.7888	1.6213	1.2198	1.0235	0.0545	1.3379	2.0220	1.7720	0.8028	1.8291	1.1750	0.2143	0.8920	0.0545	0.1688	0.4087	1.6993	0.0545	0.2036	1.1932	0.9566	0.8014	0.7241	1.2078	0.2347	0.0545	2.7405	1.1291	1.4173	0.7639	0.6755	0.7913	2.1724	1.2237	1.7424	0.8252	0.7309	1.3257	0.0545	0.0545	0.9207	1.7491	1.1321	0.0545	0.5430	1.4393	0.1278	1.7458	0.3858	0.9861	0.7985	1.2102	0.6351	0.7578	0.5878	0.0545	1.3067	0.2799	1.7946	0.6611	0.9644
mannitol/sorbitol	Sorbitol	0.7420	1.0764	1.2611	0.6939	0.6602	1.1900	1.2281	0.9370	0.8107	3.5131	0.8931	1.1467	0.8559	1.2792	1.0199	0.8291	1.4713	0.8884	1.0978	1.4134	1.0276	0.7392	1.1692	0.6473	0.8137	1.0238	0.6753	1.8770	1.0100	0.9775	0.6897	0.5456	0.7074	0.5269	0.7687	1.3310	1.2021	1.3207	0.8093	1.0472	0.7170	0.6686	1.1382	1.1141	0.7244	0.8701	4.2500	1.3850	0.8000	1.0535	0.8638	1.0975	1.1794	0.7980	1.3715	4.4402	0.9202	1.1250	0.9168	0.9919	2.1022	0.7582	9.0672	1	3.1740	5.0201	1.1267	0.6716	3.9453	1.0880	0.9044	0.6994	0.6809	0.7203	0.7962
mannose	Mannose	0.7282	1.0286	0.7740	0.8048	1.3576	1.1868	1.1756	0.6567	0.8530	0.7537	1.0226	1.1493	1.1213	0.6053	0.9852	0.6869	0.9138	1.1201	1	0.8800	0.8777	1.0521	1.0339	1.1758	1.3002	1.2543	1.2740	0.7080	0.8334	0.8931	0.6519	0.8162	0.9740	0.8586	0.9042	0.5879	0.8509	0.6237	1.1571	1.0859	1.0315	0.7050	1.0370	1.0052	0.9121	1.0330	1.1059	1.1631	1.2065	0.9270	1.0819	0.9191	0.7547	0.7890	0.9095	1.0327	0.8057	1	1.2288	1.0727	0.9270	1.1316	0.8714	1.2251	1.1328	0.8618	0.8997	0.9744	1.0425	1.0314	1.4586	1.0533	0.8018	1.0788	1.0193
margarate (17:0)	Margaric acid	1.0265	0.9047	1.0450	1.1851	1.4821	0.8744	1.9766	1.2863	0.9592	0.6711	1.0628	0.7121	0.8438	1.0199	0.9863	1.4939	0.9135	1.8032	0.8061	1.1764	1.0765	1.3608	1.3369	1.0951	1.6034	1.1133	0.6116	0.7489	0.9902	1.1703	2.0135	0.7723	1.1771	1.2241	1.4980	0.4486	0.7229	0.4074	0.9748	0.9968	0.6028	0.6031	1.1182	0.8000	0.9659	0.9587	1.0354	0.4928	1.0998	0.8675	1.0269	1.1982	0.6821	1.7604	1.5496	1.0474	0.8413	1	1.0543	0.8123	1.0721	0.7710	1.0286	0.7042	0.6057	1.0625	0.5379	1.1445	0.7295	0.5297	0.9527	0.5145	0.9407	1.0924	1.2314
margaroylcarnitine*	CAR 17:0	0.5218	0.7832	0.9117	0.8743	1.0721	0.8715	0.8891	1.1313	0.9764	0.3758	0.7506	0.7118	0.9353	1.0663	0.9481	1.1514	0.9467	1.6986	1.0134	1.4287	0.6972	1.4377	1.0158	0.7931	1.4078	0.5385	0.7566	0.6188	0.6481	0.9872	1.1237	1.1246	1.5397	0.7893	1.4835	0.4397	0.6703	0.3123	0.8039	0.7292	0.5832	0.8444	1.2308	0.8410	1.8057	1.7730	0.9464	0.8754	1.2481	0.9382	1.5047	1.3009	1.4536	1.6774	1.8438	1.4755	1.0215	1.4888	0.8204	1.3083	1	1.2973	1.4234	1.0513	0.8695	1.6014	0.2111	1.4416	1.5405	0.6359	0.9110	1.0887	1.3704	1.3911	1.5546
mead acid (20:3n9)	ETrE(5Z,8Z,11Z)	1.0331	0.7191	0.6981	0.9398	1.3628	1.1472	1.5700	0.5049	1.1499	0.7024	0.7489	0.7283	1.1194	0.4459	0.7332	1.1088	1.0731	2.1182	0.3655	1.1164	1.3099	1.1232	1.7099	1.6085	1.1727	1	0.6504	0.6212	1.0557	1.2347	1.6771	0.5414	0.8839	1.2012	2.8205	0.3280	0.7938	0.4279	1.1704	0.9751	0.8794	0.8012	1.4738	0.4828	1.0519	0.5992	0.9078	0.3720	0.8039	0.8022	1.5291	1.5163	0.8468	1.0919	1.3103	1.0003	0.6030	0.6831	0.7389	1.3050	1.0984	1.0510	0.6237	1.6011	0.8795	0.5239	0.2728	1.6303	0.7704	0.3261	1.0396	0.6153	1.0056	1.1711	1.3265
methionine	Methionine	0.9627	0.9577	0.8547	1.0863	0.6766	0.7933	1.0288	1.0634	1.0511	1.0487	1.0443	0.8604	0.8526	0.9425	0.6339	1.0863	0.9267	0.9063	0.8097	1.0393	0.8340	1.1126	0.8660	0.8104	0.8282	0.9975	1.1246	0.9612	1.0350	1.1391	0.9668	0.8284	0.8307	0.4729	0.9850	0.8386	0.8477	0.7193	1.2328	1.0066	0.9892	1.0433	0.9313	1.0261	1.3987	1.0732	0.9987	1.2361	1.1239	1.2212	0.9650	1.2488	1.1898	0.9432	1.3331	1.0901	1.1560	1	0.9049	1.1730	1.0671	1.1888	1.0714	1.1056	0.9807	1.1921	0.9450	0.9138	1.0093	1.2224	0.9984	1.0282	1.3461	0.9816	1.3021
methionine sulfone	Methionine sulfone	0.8483	0.8544	0.8974	1.0972	1.1348	1.1059	1.5310	0.9558	1.1444	2.6466	1.2227	0.8552	1.3717	0.7747	0.8808	0.8135	0.6833	0.7321	0.4915	1.0208	1.0866	0.5444	1.1757	1.0550	1.0716	0.6030	0.6873	1.3002	1.6245	0.6759	0.8605	0.9380	0.6038	2.0894	0.8564	1.6444	1.2041	1.0443	1.1940	0.7443	0.9350	1.6426	0.9147	0.6482	0.8460	1.2799	1.4204	1.2953	1.0062	1.0327	0.9314	1.1350	0.7406	1.0326	1	1.3920	0.8396	1.6654	0.9721	0.7479	0.7782	1.1903	2.0181	0.8130	1.9965	0.8662	1.2070	0.6060	0.9394	0.5434	1.3965	0.7857	0.9767	1.2115	1.1776
methionine sulfoxide	Methionine sulfoxide	1.1439	1.0327	1.2955	1.0169	0.7609	0.9631	1.5540	1.1128	1.2503	1.2916	1.1761	0.9734	1	0.7901	0.5768	0.8583	0.7547	1.0474	0.8049	1.0092	0.8887	0.8711	0.9621	0.8070	0.7171	1.1723	1.0606	1.0848	1.0123	0.9699	0.9117	0.7034	0.8339	0.6239	1.0791	0.8016	1.0221	1.0113	0.9642	1.2355	1.3521	1.2019	1.0703	0.9830	1.0756	1.0961	0.7813	1.0394	1.0409	0.9983	0.9129	0.9362	1.0234	0.8990	0.9385	1.0947	1.1401	0.8186	0.9113	0.7659	0.9273	0.9682	0.8931	1.0860	2.8252	1.2944	1.3497	0.9513	1.2699	0.8922	0.7864	0.9807	1.0239	1.0420	1.1161
methyl-4-hydroxybenzoate sulfate	Methyl-4-hydroxybenzoate sulfate	5.6515	0.0107	5.9398	0.3429	0.8679	3.6082	8.5352	0.8972	2.4294	0.9451	4.1399	1.2449	0.0107	0.1989	3.9180	22.4977	5.7242	1.5425	1.3039	1	0.9043	12.6827	2.9590	0.3007	0.1950	7.2723	32.3331	8.6007	0.2069	2.3901	3.3636	18.8147	0.0169	0.4605	7.0580	2.1848	1.8197	1.6274	1.3526	2.3376	0.4977	0.1801	3.6345	5.3112	0.0860	15.4042	0.0601	0.1340	0.0153	0.1345	0.1003	0.0107	0.4078	5.1345	0.8501	0.1012	0.2465	0.1797	0.5491	8.3060	0.1881	7.4397	1.9982	0.0502	3.1924	0.1960	6.8206	0.2085	0.3720	0.4471	0.5401	3.7354	0.0396	0.1306	0.2256
methyl glucopyranoside (alpha + beta)	Methyl glucose	0.5762	2.4813	3.2788	0.6839	24.4898	1.0794	4.8111	3.3579	2.9172	2.6732	1.3408	0.5231	0.8460	18.2837	1.1008	0.7753	6.8186	4.8194	0.3377	1.7622	6.7030	0.3372	0.8507	1.9418	0.3702	0.1559	0.3005	2.4328	1.3984	0.1559	0.5599	0.6007	0.6846	1.1983	1.1104	2.4245	5.7270	1.9467	0.4626	2.7452	1.0011	4.5833	18.4848	1.2360	0.3885	0.5646	0.6076	0.6238	0.3002	0.6572	2.0612	1.9662	4.7649	0.4762	0.3318	0.9989	0.3073	0.9440	0.1559	0.5936	0.6455	0.5155	0.7848	2.9056	2.0338	1.1431	3.9784	0.8284	0.7863	0.5735	0.1559	0.8353	0.4482	0.9217	3.1492
methyl indole-3-acetate	Indole-3-methyl acetate	0.3071	0.7031	4.3191	1.0063	1.1917	0.5656	1.1159	0.3071	0.8055	1.1149	1.7605	0.3071	0.6536	0.3071	0.9767	0.3071	1.1062	0.5171	0.9937	0.9438	0.3970	0.7797	0.7736	0.8855	0.3698	0.9659	0.4524	0.9077	0.6507	1.0090	0.9587	1.0866	0.5821	0.9146	1.2539	0.8187	1.1690	1.7300	0.5928	0.8772	0.6983	1.2697	0.5320	2.4164	0.7521	1.4757	1.8739	1.4620	1.5400	1.4219	1.1343	0.3071	1.0861	1.1210	1.9778	1.0680	1.9005	0.5918	0.9727	1.2025	1.3290	0.5617	0.8851	0.7354	1.4785	1.3215	1.7518	0.5957	1.6114	1.6975	2.0963	0.7523	0.7010	1.2759	5.5529
methylmalonate (MMA)	Methylmalonic acid	0.9057	0.0600	0.9213	0.5477	1.2481	0.0600	0.3584	0.0600	1.2587	1.5410	0.6988	1.0467	1.1952	0.0600	1.0575	0.8091	1.3806	1.1174	0.7557	0.0600	1.8646	0.8089	0.0600	0.0600	0.4562	0.5483	0.7320	0.0600	0.1893	0.7946	1.1032	0.0600	1.0944	0.0600	1.6206	1.4001	0.8492	0.4647	0.9272	0.0600	0.8255	0.0600	0.0600	1.2210	0.9394	1.1794	1.4999	1.2052	1.0878	1.1624	1.9801	1.1229	1.7383	0.9714	1.1979	1.1489	0.0600	0.5165	0.8569	0.5021	0.0600	0.1554	0.8045	0.7541	1.9124	1.0140	1	0.7540	0.0600	3.1738	0.0600	0.8205	2.2929	0.8548	1.5589
methylsuccinate	Methylsuccinic acid	1.1327	1.4747	0.7959	0.5412	0.7857	1.5305	0.7918	0.9438	0.9122	1.8884	0.8727	0.9585	0.5673	1.1430	0.8233	1.5944	0.8860	1.2625	1.2861	0.9185	1.2008	0.8837	1.9777	0.5499	0.6653	0.6020	0.6032	1.4787	1.4424	0.8838	0.7536	1.4683	0.9058	1.1142	1.0563	1.1044	0.9343	0.8440	0.8210	0.8592	0.6875	1.1039	1.8641	1.0133	0.9122	0.9077	1.7281	1.0612	0.7421	1.2746	0.8935	0.9067	1.3371	1.0663	1.1929	0.8355	1.9117	1.2492	1.2877	1.5250	1.2745	1.1815	0.8522	1	1.3884	0.9318	1.8739	1.0062	1.3242	0.8596	1.1069	0.8398	0.6455	1.1210	0.6919
myo-inositol	Myo-inositol	0.5348	1.5023	0.6367	0.4245	0.4364	1.4380	1.7556	1.5070	0.7884	0.8000	0.5596	1.0531	1.3474	1.6851	0.6618	1.2507	0.8385	1.6971	0.7459	1.6876	1.0869	0.4157	1.2340	1.3325	0.3791	0.5517	0.5328	1.9945	1.2912	0.4914	0.5354	1.0598	0.4575	1.2806	0.9021	0.7331	0.9518	1.7047	0.6766	1.5700	0.5957	1.5175	1.1131	0.9738	0.3617	1.3922	1.2877	1	1.2644	0.7386	0.5875	1.3079	0.7663	0.6985	1.2672	0.7127	1.1339	0.3603	0.5041	1.4497	0.8899	1.2638	0.5693	1.6155	1.0488	0.6640	1.3499	1.1674	1.2510	0.4173	1.4132	0.9445	1.2098	0.6618	1.4925
myristate (14:0)	Myristic acid	1.2614	1.5742	1.3942	1.0792	1.5838	0.9363	1.5153	1.3391	1.4618	0.6466	0.8476	1.0126	1.3366	1.3360	0.9446	2.0549	1.2645	2.3592	0.7096	1.8716	1.6685	1.0620	1.6893	1.2601	1.5862	1.2307	0.5213	0.7102	1.1975	1.7986	1.6320	0.7135	1.0717	0.8247	3.0906	0.4338	0.6697	0.5121	1.3501	1.5298	0.4521	0.9630	2.8559	0.6708	0.7927	0.6648	0.7014	0.2939	0.9912	0.6377	0.8750	1.1313	0.8467	1.4784	1.3729	1	1.2032	1.0851	0.8752	0.5682	0.7355	0.7681	1.0109	0.5611	0.5456	0.6648	0.2585	1.0160	0.4455	0.3582	0.7822	0.4227	0.6287	0.6363	1.3938
myristoleate (14:1n5)	Myristoleic acid	1.7520	1.6135	1.3133	1.2709	1.8373	1	1.1357	1.4668	2.1812	1.2296	0.7084	1.7848	2.4888	1.8241	0.8558	2.0333	1.4366	2.3808	0.6341	1.9641	2.3588	1.1746	1.5776	1.1867	1.6206	1.8254	0.3186	0.5052	1.0868	3.9386	1.2176	1.4334	0.8540	1.0523	4.8399	0.3758	0.7088	0.5398	2.0989	1.3274	0.5235	1.3388	4.4940	0.7718	1.2077	0.6442	0.6906	0.2204	0.8417	0.7323	0.9621	1.1066	0.9092	1.3134	1.0136	0.8890	0.7592	0.9121	1.1806	0.7944	0.3552	0.6466	0.9773	0.5179	0.3704	0.3817	0.3198	0.8580	0.5877	0.2162	0.5815	0.3431	0.5062	0.8793	0.9636
myristoleoylcarnitine (C14:1)*	CAR 14:1	0.9994	1.4578	0.3878	0.7090	1.0743	0.6677	1.0689	2.1147	1.1405	1.5419	0.7754	0.5450	2.5112	1.1319	0.9782	0.8144	0.7998	1.1137	0.4407	1.4689	0.9511	1.1679	1.0106	0.7831	0.9618	1.1631	0.2623	0.3917	0.5595	0.7942	0.9441	1.7953	1	2.0222	1.7608	0.3714	0.5097	0.2757	1.4893	1.1267	0.3308	0.8376	1.6709	0.6348	1.6777	1.0280	0.6174	0.8360	1.2298	1.1858	1.2878	0.9870	1.2111	1.3820	1.1865	0.7360	1.0458	1.3839	1.1375	1	0.5354	1.2628	0.8526	0.8942	1.4982	0.8402	0.8081	0.8244	1.3339	0.4468	0.5156	0.9631	1.1852	2.6654	1.2121
myristoylcarnitine (C14)	CAR 14:0	0.8131	1.2496	0.7511	0.5995	1.1222	0.6752	0.8949	1.3663	1.2125	0.9260	0.7044	0.6399	1.4244	1.0023	0.8114	0.9543	0.9719	1.4967	0.6568	1.5731	0.8194	1.3985	1.0821	1	1.0549	0.9649	0.4917	0.5210	0.6447	0.7628	1.2037	1.2321	0.9471	1.1553	1.7877	0.4712	0.5462	0.3172	1.2541	0.9087	0.4078	0.6635	1.4149	0.9223	1.7011	1.2477	0.5314	0.8059	1.2667	0.8714	1.2884	0.9020	1.4429	1.6536	1.5164	1.1149	1.2634	1.4608	0.9797	1.0644	0.8349	1.3899	1.0215	0.8951	1.1333	0.8797	0.2530	1.1151	1.3740	0.5451	0.6829	1.0873	1.0840	1.9048	1.7435
myristoyl dihydrosphingomyelin (d18:0/14:0)*	SM 18:0;O2/14:0	1.1385	1.2352	1.1469	1.2031	1.2071	1.2846	1.2942	0.8076	1.3432	0.5849	1.2387	0.8041	1.0751	0.9878	1.0730	1.1194	0.5470	1.2188	1.1851	1.2718	0.7785	1.0562	0.9789	0.9826	0.5225	1.1159	0.7331	0.6613	0.6190	1.9476	0.9431	0.9824	1.0601	0.4508	1.4463	1	1.1499	1.3839	0.8128	1.0309	0.7374	1.2103	1.4294	0.7307	0.8105	0.6441	1.2703	0.7337	1.2556	0.5567	0.6898	0.6824	0.9057	0.9180	0.8394	1.6543	1.1959	0.9387	1.1630	1.0312	0.9746	0.8144	1.4800	1.1289	1.0888	0.8471	0.7958	0.9457	1.0826	0.6929	1.5149	1.0899	0.5796	0.9391	0.8488
N1-Methyl-2-pyridone-5-carboxamide	N1-Methyl-2-pyridone-5-carboxamide	0.7561	1	0.5368	1.5621	1.0097	1.6327	1.1753	0.3981	0.9714	0.9530	1.1915	0.6593	0.7072	0.4363	0.6483	0.9482	0.7639	0.8471	0.6047	1.0707	0.4783	1.3087	1.1716	0.7316	0.4705	0.5396	0.6684	1.4905	1.1329	1.4014	1.6393	0.7656	1.2878	0.7922	0.3853	0.5790	0.8264	0.9066	1.1003	0.9311	0.6747	0.9113	0.5303	0.8398	0.7836	0.4475	1.9125	1.6195	1.5890	0.7773	1.7868	1.3876	1.7075	1.1371	1.2834	1.6829	1.3235	0.9032	1.5354	1.3942	1.3483	1.4286	1.3125	0.8819	0.3405	0.7049	1.2737	1.1160	1.2857	0.8122	1.9202	1.1649	1.1106	1.7802	1.3104
N1-Methyl-4-pyridone-3-carboxamide	N1-Methyl-4-pyridone-3-carboxamide	0.6408	0.8470	0.4447	1.1385	0.9698	1.7371	1.3865	0.2589	1.0055	1	0.8241	0.7470	0.7178	0.3927	0.5515	0.8955	0.5466	0.8009	0.5314	1.0102	0.4260	1.2807	1.1050	0.5769	0.4605	0.7142	0.7807	1.3043	1.1408	1.5345	1.3628	0.7930	1.2123	0.8487	0.3379	0.5284	0.5847	0.6266	1.1157	0.9283	0.5503	1.1048	0.7553	0.7754	0.6940	0.4264	1.8859	1.6901	1.5447	0.7350	1.5386	1.0906	1.9807	1.2007	1.4866	1.4137	1.6345	1.2845	1.5172	1.2833	1.0569	1.4722	1.4797	0.7871	0.3557	0.7227	1.2739	1.5046	1.5835	0.6269	1.8373	1.2020	0.9643	1.7077	1.3469
N1-methyladenosine	1-Methyladenosine	0.9267	0.8843	0.9877	0.9674	1.0351	1.0311	0.9372	0.7657	1.1125	1.3635	1.1128	0.7870	0.9805	1.0302	0.9364	0.7995	0.7022	1.0017	0.8261	0.9861	0.9362	0.9334	0.7912	0.8530	0.8831	0.8097	1.0222	1.1813	0.9949	1.3274	1.0842	0.8111	0.9936	0.7316	1.0203	1.2404	1	0.8209	1.0419	0.8929	0.8625	0.9611	0.7750	1.0598	1.0465	1.5963	1.0797	1.3483	0.9229	1.0811	1.2410	0.8775	1.2790	1.2362	1.2218	1.2499	0.9055	1.1532	1.2203	1.0309	0.8260	1.0664	1.1101	0.9922	1.2042	1.1968	1.0206	0.9567	0.8037	1.1473	0.9545	1.1181	0.9261	1.0275	1.4764
N1-methylinosine	1-Methylinosine	0.8210	0.9823	1.0282	0.6568	0.8838	1.1161	1.3887	0.7217	1.2890	1.1046	1.4872	0.8290	0.7887	0.5125	1.3922	0.9376	0.7581	1.1162	0.8302	0.7831	0.8244	0.6981	0.9183	0.7982	0.7349	0.8448	0.8892	1.3318	0.8725	0.9892	1.1795	0.6335	1.0137	0.6324	1.2357	0.9496	0.8309	1.0140	1.4400	0.9085	0.6686	1.0168	0.7323	0.6983	1.3350	1.3992	1.3322	1.5886	1.2223	1.2607	1.1193	1.1542	1.0125	1.1951	1.3094	1.4010	0.8448	0.9905	1.4126	1.1221	0.7199	0.8419	1.2937	1.1842	1.5458	0.9345	1.1470	1.1188	0.9826	1	1.1015	1.0325	0.8049	0.8156	1.2242
N1_N12-diacetylspermine	N1,N12-Diacetylspermine	0.7372	0.4929	0.4929	1.4824	0.4929	0.9765	0.4929	0.4929	0.4929	0.4929	1.2988	0.4929	0.9322	0.4929	0.6202	0.7111	0.4929	0.9345	0.8944	0.9764	0.8145	1.2157	1.3923	1.8961	3.0915	4.0923	1.1842	0.4929	1.2884	1.5653	0.8119	1.9030	0.6728	0.7699	0.7004	0.4929	0.6286	1.4225	1.1370	0.6512	1.3688	1.7484	2.3351	0.4929	0.4929	0.6898	1.6609	0.7216	0.6702	0.9085	1.0509	0.6795	0.4929	0.6714	0.8119	0.4929	0.4929	0.4929	0.7832	2.0464	0.4929	1.3294	2.1896	0.4929	1.1316	0.4929	0.4929	2.1841	0.4929	0.4929	0.4929	0.4929	0.4929	0.4929	1.0235
N-(2-furoyl)glycine	2-Furoylglycine	0.3835	0.3835	0.9174	0.6712	0.3835	1.2142	1.1016	0.3835	0.4459	2.0413	1.7046	0.5591	0.3835	0.3835	1.0215	0.7471	0.9808	0.3835	0.7704	0.5922	1.0255	0.3835	0.8021	1.6171	0.3835	0.4399	0.3835	1.7580	0.3835	0.9651	0.6815	0.3835	0.6796	0.3835	0.3835	1.5742	0.8549	1.7684	0.9778	0.3835	0.3835	0.4988	0.6408	0.3835	0.5501	1.9982	0.9808	1.2485	0.6136	0.9399	0.6289	0.7188	1.4950	0.3835	1.3284	1.9023	1.5013	21.9416	1.5803	0.6581	0.9549	1.0192	0.5719	1.0878	2.8128	2.2779	2.0573	0.8566	0.3835	2.1396	1.4753	2.0438	1.0411	1.4165	0.3835
N2-methylguanosine	2-Methylguanosine	1.4084	0.8582	0.6697	1.5191	1.1018	1.2931	1.8138	0.9260	1.2530	0.7335	1.3472	1.1752	1.0760	0.9977	0.5037	0.9172	0.8588	0.8448	0.8250	0.9761	0.7445	0.6970	0.6576	1.0464	0.9039	1.2997	1.0023	1.0882	1.1094	1.4084	1.4125	1.1450	1.0852	0.9571	0.6995	0.9264	1.3232	0.5037	2.1825	1.1227	1.3613	1.0963	0.5037	0.5631	0.7775	0.7003	0.9667	1.3398	1.0137	0.5937	1.2665	0.6695	0.8809	0.5037	0.9575	1.4295	1.5694	0.6539	1.6954	1.0986	0.5037	0.8563	1.1835	0.8295	0.5037	0.7514	0.5037	0.7064	0.5037	0.5824	1.0730	0.5167	0.7862	1.4131	1.2988
N2_N2-dimethylguanosine	N2,N2-Dimethylguanosine	0.8293	1	1.0149	0.7444	1.0457	1.0381	1.3516	0.7616	1.2631	1.2571	1.6555	0.7995	0.8630	0.6643	1.2735	0.8202	0.7905	1.1147	0.9077	0.8717	0.7957	0.8125	0.7839	0.7628	0.8666	0.8327	1.1285	1.0716	0.9626	1.0726	1.1660	0.7733	1.0108	0.7180	1.1603	1.0518	0.9425	1.0020	1.2672	0.8032	0.8103	0.9160	0.7825	0.9016	1.0303	1.2852	1.1214	1.3300	1.0153	1.1078	1.2003	1.0990	1.1283	1.1931	1.3544	1.4044	0.7651	1.2934	1.4131	1.1506	0.8541	0.9061	1.0658	0.9298	1.2459	1.1040	0.9706	0.7945	0.7992	0.9970	0.8810	0.9386	0.7394	0.9133	1.1529
N2_N5-diacetylornithine	N2,N5-Diacetylornithine	0.7131	0.9334	1.2135	0.5028	0.4647	1.0008	0.7428	0.6720	0.7200	1.7836	0.8655	0.5446	0.7416	1.1164	1.0941	1.2899	0.4611	0.7347	0.8866	1.3003	1.3214	0.7212	1.1031	0.7296	0.7096	0.9413	0.7928	3.1948	1.1214	0.9467	0.6190	0.8543	1.0246	0.7763	1.8073	1.6438	0.7630	1.2510	0.8799	1.3703	1.0734	1.1343	1.0075	1.0539	1.3583	0.6352	0.8125	0.5544	0.3351	0.7648	0.7229	0.6183	0.9022	1.3888	1.1999	1.1364	1.1653	2.0183	1.0634	1.3455	0.7100	1	1.5388	1.0677	4.9901	1.3613	1.6259	1.2955	1.2446	1.0902	0.8595	1.4015	0.8044	0.7912	0.9101
N4-acetylcytidine	N4-Acetylcytidine	0.6504	2.1212	1.7961	0.4275	1.1914	0.4624	2.4534	0.4434	0.5521	0.9780	1.0237	0.4645	1.7827	0.9167	0.8395	1.0453	0.5556	0.6536	0.4786	2.6606	1.0909	0.2496	1.3505	0.8417	0.7969	1.2406	0.2496	1.2389	0.9488	0.4790	1.3582	0.5580	0.6755	0.5754	1.3468	1.1219	0.8663	1.0550	0.5108	0.8506	1.1909	1.2258	1.7764	0.8050	1.1131	1.2234	1.2504	2.1520	1.1267	0.4412	1.0056	0.7807	0.2496	0.9944	0.2496	1.2662	0.6374	1.3948	1.5377	0.8960	2.0817	0.5136	0.7496	1.1110	1.5339	0.5305	0.6872	1.6776	0.7572	1.7048	1.0915	0.9732	1.0754	0.5758	1.1526
N(4)-acetylspermidine		0.8239	0.8952	1.1071	0.7293	1.0177	0.8868	0.6490	0.9752	1.2111	1.8405	1.2458	0.7639	1.0463	0.9416	1.2755	1.0153	1.0238	0.7835	1.1952	0.9352	0.9304	0.9574	0.8365	0.9039	0.7829	0.7713	1.0732	1.2114	0.9552	0.7813	0.8163	0.6175	1.0406	0.5400	1.3587	1.0256	0.8862	0.5251	0.8309	1.0318	0.6727	1.1202	0.8981	1.0347	0.7300	1.4686	1.2227	1.4982	0.9306	1.2720	0.9764	1.4270	1.1385	1.0788	1.2733	1.0405	0.9646	1.2490	1.0733	1.0382	0.7250	0.8657	1.6669	0.9690	1.2767	0.8586	1.2434	0.8125	1.0762	1	0.8225	0.8144	1.1347	1.2673	1.4478
N6-acetyllysine	N6-Acetyllysine	0.8873	1.1587	1.2536	0.7139	0.9125	0.9859	0.9121	0.6713	0.7738	0.8522	1.0470	0.8540	0.9028	0.7968	0.7457	0.8724	0.7635	1.2256	0.9146	1.0146	1.0690	1	0.9454	0.8869	0.6248	0.8426	0.8624	1.4989	1.2104	0.9074	0.9484	0.8259	1.0408	0.7585	0.9244	1.2058	1.0910	1.1231	1.0720	1.1215	0.7408	0.9374	0.7684	1.1210	0.9479	1.1861	1.3052	1.3866	1.1765	1.1968	1.2547	1.0557	1.1913	1.0509	1.0640	0.9911	1.0680	1.4021	1.0049	0.9980	0.6992	1.1592	1.2965	0.8457	1.5567	1.2573	1.3624	1.2774	1.1498	0.9086	0.7231	0.9140	1.0002	0.8884	1.2979
N6-carbamoylthreonyladenosine	N6-Carbamoyl-L-threonyladenosine	0.8789	1.1299	0.9399	0.7855	0.9232	1.1303	1.1606	0.7109	1.1790	0.9779	1.3696	0.8197	0.9687	0.7173	1.1481	0.9305	0.8051	1.1157	0.7954	0.9963	0.8204	0.8199	1.0540	0.8036	0.9586	0.8529	0.8300	0.9656	1.0929	0.8819	1.1492	0.9555	0.9864	0.8167	1.2255	1.0114	0.8421	0.9921	1.0494	0.8842	0.7678	1.1610	0.9910	0.8286	1.0096	1.5303	1.1860	1.5883	1.1011	1.2146	1.1971	1.0413	1.0926	1.3510	1.1501	1.1497	0.9231	1.2105	1.5386	1.2421	0.8737	1.0669	1.0993	0.8601	1.3415	1.0658	1.0700	0.8219	0.9989	1.1683	0.9315	1.0423	0.8539	1	1.3034
N6-carboxymethyllysine	N(6)-Carboxymethyl-lysine	2.0203	1.6351	0.9786	0.8863	0.5226	1.6255	0.8836	0.7182	0.8763	1.4686	0.9772	1.4723	1.1040	1.2123	1.6415	0.9168	2.2430	1.4567	1.3858	1.3253	1.0426	1.5658	1.1240	0.6000	2.1114	0.6710	0.7875	0.6683	0.7675	0.6731	1.0062	0.3624	0.4310	0.3077	0.2633	0.7670	0.6627	0.9486	0.5040	0.4972	0.6945	0.6569	1.0404	1.3991	2.9190	1.6252	1.0671	1.2700	1.3936	0.9628	0.2305	2.0067	0.9083	1.1244	1	1.0606	0.8488	2.0412	1.6732	1.1929	0.8015	1.3061	1.3682	1.2135	0.8607	1.1283	1.5111	0.6783	1.6609	0.5509	1.1549	0.6458	0.6173	0.9640	0.4794
N6-methyladenosine	N6-Methyladenosine	0.6538	0.7495	0.6538	1.4989	0.9635	1.2435	1.4321	0.9479	0.6538	0.6538	1.4645	0.7801	0.6761	0.6538	0.6538	0.6538	0.8808	0.8903	0.6538	0.9081	0.8463	0.8412	0.6538	0.9616	0.7410	0.6538	0.7775	1.2577	0.6538	0.6538	0.9134	0.6538	1.7027	0.6538	1.1665	0.8142	0.6821	0.7713	1.1726	0.6538	1.0365	0.7661	0.6538	0.6538	0.6538	1.2028	0.6538	0.8967	0.7232	1.2488	0.9591	1.4186	0.6538	1.7168	0.6538	1.1142	0.6538	0.6538	1.3254	1.1190	1.2466	0.6538	1.3877	0.6538	1.8096	0.6538	0.6538	0.6538	1.4292	0.9429	1.3413	0.6538	0.6538	1.0376	1.1079
N6_N6_N6-trimethyllysine	N-6-Trimethyllysine	0.6874	0.7354	0.6245	0.8377	0.9206	1.3215	0.8666	0.8268	1.6451	0.8619	0.8621	0.6622	0.6416	0.6462	0.7582	0.6960	0.6322	0.7815	0.8817	1.4466	0.6051	0.9412	0.5358	0.6078	0.9527	0.7512	3.4478	0.7491	0.9950	1.1489	0.6770	1.9734	1.5690	0.7106	1.1608	1.0191	1.0585	0.9427	1.1911	0.9406	0.7340	0.7448	0.7680	1.1127	1.0438	1.3682	1.2468	1.6829	1.3692	1.5167	1.2905	1.1265	1.8904	1.3319	1.3345	0.9720	1.0945	1.4913	0.9621	1.1031	1	0.8439	1.2377	0.9959	0.9703	1.0533	1.0762	1.1749	1.7356	1.2530	1.0728	1.2771	1.2942	1.7992	1.9785
N6-succinyladenosine	Succinyladenosine	0.8630	1.1730	0.8709	1.0070	0.6332	1.5628	1.1865	0.4575	1.1716	1.8838	1.6211	0.9301	1.0277	0.8986	0.7211	1.2430	0.8032	0.9504	0.9650	1.2209	0.9388	0.8546	0.4575	0.4575	0.9299	0.4575	0.4658	0.7577	1.1963	0.7800	1.0834	0.6873	0.9351	0.9371	1.1038	1.3002	1.0119	1.6601	0.7691	0.5622	0.4575	1.4742	0.4575	0.7971	1.0374	1.4484	1.1358	1.2743	0.9969	1.0031	1.2458	0.8352	0.9146	1.2350	1.2470	1.0747	0.8542	1.2002	1.0892	1.0403	0.4575	1.0548	0.8758	0.9088	0.9328	1.2165	1.1561	1.2179	0.6546	1.1730	0.4575	0.7576	0.7481	0.7452	0.8081
N-acetyl-1-methylhistidine*	N-Acetyl-3-methylhistidine	0.7561	0.8635	0.7172	1.3005	1.2224	3.9227	0.9888	0.4140	1.1069	1.0586	1.4621	0.1913	0.9283	0.2447	1.8691	0.8666	0.4225	0.8011	2.2355	0.9223	0.6207	1.2975	0.7253	1.6489	1.5570	0.2361	1.4253	1	0.5194	2.4327	0.9467	0.6316	2.0757	0.4645	3.1613	0.9438	0.4897	2.3713	0.9472	1.5734	3.0278	0.3901	0.7834	0.6091	1.5446	1.2851	1.5913	1.3002	0.5782	0.5383	1.6951	0.5204	0.9637	2.4645	2.1546	1.0304	1.9400	1.7917	4.1536	6.4543	0.5920	2.4156	1.2666	0.7930	0.4731	0.5423	0.9533	2.9094	2.6500	1.3313	0.7954	3.4406	0.8089	0.2988	1.0789
N-acetyl-3-methylhistidine*	N-Acetyl-3-methylhistidine	0.4646	0.1662	0.1662	0.2989	0.1662	4.4310	0.1662	0.2989	0.4288	1.2927	0.1662	0.1662	0.3572	0.1662	1.5564	0.4567	0.1662	0.5143	1.0337	0.1662	0.1662	0.6680	0.1662	0.1662	1.1824	0.1662	0.8534	0.1662	0.2266	2.6219	0.1662	0.1991	2.0586	0.1662	2.8632	0.5853	0.1662	0.8192	0.1662	1.0905	1.1265	0.1662	0.1662	1.0910	0.3225	0.9481	0.8512	1.0681	0.1662	0.1662	2.1437	0.1662	1.0212	1.0729	0.6176	0.3984	1.2590	0.6956	2.6285	6.2814	0.1662	1.0555	0.5081	0.1662	0.4731	0.1662	1.5708	1.1417	1.0555	0.4698	0.9788	2.0427	0.1662	0.1662	1.1518
N-acetylalanine	N-Acetylalanine	0.7070	0.9620	0.9346	0.8701	0.9099	1.2247	1.1157	0.9115	1.1798	0.9884	1.6039	0.9167	0.9688	0.9036	1.3423	0.9265	0.8293	1.1502	0.9403	1.1207	0.8725	0.8459	0.8381	1.0836	1.0458	0.8869	1.0450	1	0.9063	1.0114	1.0639	0.8624	0.9329	0.8301	1.3075	1.0392	0.9220	1.1021	1.0520	1.0500	0.8115	0.9145	1.6852	0.9424	0.8718	1.2700	0.9238	1.1771	1.0620	0.9381	1.0579	1.2128	1.1286	1.2546	1.2706	1.3090	0.9901	1.1649	1.0569	1.2762	1.0314	0.9014	1.1040	0.9910	1.0105	0.8390	1.0097	0.9041	1.0962	0.9906	0.8807	0.9586	0.8679	1.0047	1.1875
N-acetylalliin	N-Acetylalliin	0.7269	1.0950	0.4449	0.3107	0.0957	0.3410	0.7541	0.6054	0.0957	0.5413	1.7371	0.0957	0.3671	2.8001	1.5866	0.7382	0.6806	1.0289	2.0586	3.2543	2.2967	1.5525	0.7309	0.1437	4.5906	0.1643	0.8601	5.3142	0.1951	0.7225	0.6177	1.0611	0.5031	0.0957	0.2700	0.6666	1.8724	1.2238	2.8079	0.9588	1.8684	2.1385	0.0957	0.1652	1.5154	0.8377	1.9146	0.8721	0.2112	0.1306	0.3316	0.0957	2.7175	0.6329	0.5998	1.1477	3.0275	1.5798	0.0957	1.9096	1.8261	1.5590	0.9711	11.0418	0.4672	7.8379	0.0957	1.0852	11.2324	10.6236	0.8530	3.3236	2.4285	0.0957	0.0957
N-acetylarginine	N-Acetylarginine	0.7216	0.7329	0.9523	1.2888	0.6179	1.9190	0.7214	0.8211	1.0338	0.6573	1.1608	0.5500	0.7834	0.6608	0.9486	1.6543	0.5883	0.7459	1.4368	1.1032	0.7337	1.3091	1.2084	0.7756	0.5404	0.4287	1.2811	1.1336	0.7305	1.7057	0.8861	0.7568	1.3168	0.3839	0.9159	1.2290	0.6133	1.3766	1.0865	0.9675	1.8846	0.5052	1.1603	0.7295	0.9224	1.1458	1.0506	0.9646	0.9142	1	0.7397	0.7959	0.9196	1.2878	1.6871	1.0658	1.5368	1.2047	1.9849	2.6271	0.8970	1.4894	1.0593	1.4003	0.6968	1.0200	1.4486	1.7951	1.2548	1.5042	0.8838	1.9411	0.8890	0.2836	1.0710
N-acetylaspartate (NAA)	N-Acetylaspartic acid	1.0435	1.0803	1.1388	0.9505	1.0019	1.0229	0.8396	1.2419	1.1676	1.2129	1.1826	0.7581	0.9696	1.1107	0.8659	0.9290	0.8220	0.9670	1.0665	1.0347	1.0336	0.9617	0.8887	0.7268	0.8321	1.1962	0.6712	0.8795	1.5202	0.9359	0.8069	1.0378	1.0141	0.9677	1.2174	1.0238	1.1100	1	0.8174	1.2272	1.3511	1.1057	1.1700	1.1357	0.9320	1.1880	0.7762	0.8717	1.0163	1.0642	1.0908	1.0315	1.1656	0.9043	0.7541	0.8308	1.1137	0.8815	0.7851	0.7541	0.6597	0.9069	0.9403	0.8224	1.0163	1.0349	0.9990	0.8978	1.0781	0.6600	0.6653	0.8537	0.8557	1.0282	1.0186
N-acetyl-aspartyl-glutamate (NAAG)	N-Acetyl-Asp-Glu	1.3336	1.1810	1.2254	1.3689	0.6653	0.5959	0.8265	1.2999	1.8037	0.8576	0.9139	0.4798	1.1885	1.4713	1.2189	1.6176	0.9698	1	0.4505	0.9213	1.1601	1.4613	0.9108	0.8188	0.9703	1.0426	0.8640	1.1481	0.9735	3.1797	0.8825	0.4772	0.6047	0.3755	0.9191	1.4937	1.2719	1.2524	0.9683	0.9524	0.5763	1.8551	0.5900	1.2755	0.8771	1.2884	1.4070	1.0664	0.8471	1.3663	1.7659	1.5406	0.9957	2.0616	0.3851	1.0178	0.7756	0.3165	0.3657	0.5434	0.9134	0.6758	0.7272	1.0094	0.8065	1.1292	1.2121	0.3165	0.4273	1.7541	0.3165	1.1397	1.0481	1.0398	1.0347
N-acetyl-beta-alanine	N-Acetyl-beta-alanine	0.6226	0.7117	1.0313	0.7214	0.9551	1	0.7009	0.8088	1.5298	1.0712	0.8057	1.2085	0.9676	0.8271	0.9641	0.7160	0.6441	1.2743	0.8323	1.1565	1.1429	0.9737	0.9869	0.9001	0.8974	0.8355	0.7802	1.6257	0.9144	1.1143	2.2424	0.7158	0.6806	0.8418	1.0063	1.2001	1.3904	1.2796	0.6061	1.3542	0.9445	1.0331	1.4822	0.8280	1.2327	0.8491	1.8331	1.6536	0.9616	1.4587	1.3078	1.1661	1.1337	1.4256	0.7642	1.7605	1.0547	1.1309	0.8759	1.1755	0.9307	0.9763	1.1412	1.1199	0.7753	1.3702	1.8168	0.9928	1.3055	1.0311	0.9138	1.2724	0.8117	0.9834	1.2906
N-acetyl-cadaverine	N-Acetylcadaverine	1.5369	0.7797	0.7087	0.6924	0.8544	3.6371	0.4136	0.4456	0.4790	0.3677	0.8045	0.3677	0.9934	0.3677	0.8807	0.4662	0.8565	1.5207	0.6160	1.2293	0.3677	0.3677	1.3635	3.2829	2.2681	0.9226	2.3361	0.5599	0.3716	1.5588	0.6065	0.9130	0.8877	0.8793	2.1741	0.7075	0.4246	1.0066	2.1768	1.9282	0.4933	0.3903	0.6289	0.5759	11.8331	0.5037	1.6990	0.8474	1.7283	0.7611	15.3321	1.4267	2.1518	3.4773	2.8548	11.4327	0.3677	0.3703	4.7110	6.9898	2.1246	0.9576	1.9475	1.9518	0.3677	0.9658	0.3677	2.0680	1.6759	11.4879	0.7545	1.5124	3.0176	3.1952	5.4416
N-acetylcarnosine	N-Acetylcarnosine	0.7542	1.1729	0.5185	0.7064	0.3980	0.7804	0.9419	1.1039	1.0653	0.5521	0.9382	0.3469	0.3152	0.6904	0.6213	0.4127	0.5934	0.8231	1	0.7760	0.8305	0.6467	0.8385	0.7957	0.6802	0.4526	0.8083	0.8329	0.8239	0.7485	0.7264	0.7616	1.0971	0.6907	1.0488	0.9865	1.0298	1.0137	0.9469	0.8256	0.6587	0.8136	0.4966	0.8105	1.6408	1.4302	2.2745	2.2716	2.1537	1.7583	1.3099	1.8392	1.3335	1.4521	1.6422	1.6632	1.0750	1.4049	2.3518	1.7455	1.4627	1.5107	2.0308	1.1191	1.1001	1.4114	2.3463	2.2539	1.3300	1.3775	1.1202	1.3869	0.7975	1.4501	2.3536
N-acetylcitrulline	N-Acetylcitrulline	0.8423	0.5706	0.7752	1.3038	0.1878	4.7798	1.2080	0.1878	0.4271	0.4730	1.0387	0.6021	0.4238	0.1878	0.6400	2.0682	0.1878	0.1878	3.4655	0.7934	0.4516	2.2285	0.4912	0.6380	0.7182	0.1878	0.8952	1.4039	0.2708	1.9461	1.6644	0.3131	1.3694	0.1878	1.1644	0.5506	0.3260	1.8484	0.9806	1.0389	2.2805	0.2450	0.8606	0.5909	1.4698	0.5845	1.1453	0.8477	0.6941	0.1878	0.4347	0.1878	0.5355	1	4.3423	1.9075	3.4972	1.8718	6.9273	3.3828	0.8751	3.1417	0.5299	1.3001	0.1878	1.6256	3.2184	1.4084	1.8071	2.6371	0.5801	2.4265	0.7534	0.1878	2.1271
N-acetylglucosamine/N-acetylgalactosamine	N-Acetylhexosamine	0.8776	1.1559	1.0741	0.9295	0.9620	1.0766	1.2810	0.9642	0.8285	1.0779	1.3392	1.2175	0.9420	0.8852	1.2603	0.8155	0.8516	1.0067	0.9436	1.1707	1.0349	0.8879	0.9999	1.1997	0.8006	0.7649	0.7674	1.0051	0.8966	0.9294	1.2819	0.9128	1	0.7905	0.8787	0.8763	1.0347	1.4819	1.1254	0.8705	0.9525	1.8134	1.0493	0.8919	0.8429	1.0693	1.1848	1.2751	1.2320	1.1070	1.1094	1.0917	0.8783	1.0283	1.3252	1.0794	0.8261	0.8990	1.0988	1.1628	1.0322	0.7737	0.6867	0.9707	1.2297	1.0860	1.0698	0.8573	0.7738	1.1414	0.7948	0.8058	0.7342	0.8717	1.1950
N-acetylglucosaminylasparagine	Aspartylglycosamine	0.9704	1.0488	0.8894	0.3796	0.2599	0.8529	0.9813	0.7343	1.0443	0.8692	1.7994	0.9751	1.8822	1.6925	2.0780	0.8347	0.9232	1.3790	1.3998	1.9164	1.4219	1.2640	1.0299	0.9287	0.2599	0.5867	0.6970	0.8495	1.2663	0.2599	1.3103	0.8827	1.0194	0.2599	0.7910	0.7338	0.5244	1	0.2923	0.5095	1.1171	0.4779	0.8814	1.4406	0.6951	0.8332	1.4568	1.0081	1.0855	0.9054	1.2623	1.1197	1.0190	1.0066	1.7250	1.8072	1.2354	2.8633	1.7519	1.5501	0.7210	0.6249	1.7337	1.8275	0.2599	0.5324	0.9325	1.1190	0.7258	0.8753	1.0581	0.3704	1.2346	1	0.8548
N-acetylglutamate	N-Acetylglutamic acid	1.0246	0.8451	0.7208	1.3670	1.0065	0.9693	1.0486	1.2833	1.0648	1.3794	1.6159	0.8454	0.9094	1.0532	1.4622	1.8388	1.3443	0.7528	1.3414	1.0342	1.3080	1.1020	1.1037	0.7068	1.2361	0.9136	1.1688	1.0356	0.9603	1.2982	1.7393	1.0023	0.8766	0.7085	1.8603	0.7316	0.6964	1.3389	0.9455	0.9004	1.0213	0.8934	1.3110	0.7659	1.0123	0.6515	0.6295	0.3401	0.7201	0.9416	1.5642	0.8918	0.9946	0.9943	1.4221	1.0248	0.8265	0.9180	0.9252	2.1042	1.0864	0.8136	0.6118	0.8984	1.1713	0.9932	0.7307	1.0666	0.5414	1.4931	1	0.7431	0.9539	0.8159	1.0353
N-acetylglutamine	N-Acetylglutamine	0.6808	0.7904	1.3111	2.1443	1.0103	1.4822	0.8735	0.5756	0.7534	1.3388	2.2516	0.4931	1	0.5790	1.4170	1.7569	0.4627	0.5624	1.4455	0.9319	1.4035	1.4288	0.6429	0.5282	0.7829	0.3241	0.7641	0.9700	0.3398	2.0201	1.4656	0.7361	1.7862	0.3186	1.4358	1.3168	1.0681	0.8359	1.1730	0.7802	1.2563	0.5598	0.9686	0.7845	1.5359	0.7744	1.4913	0.9778	1.0840	0.7210	0.8518	0.9385	1.2895	1.9200	1.4913	1.1689	1.2122	1.4272	2.3402	2.5993	0.6298	1.3078	0.8149	0.6748	0.9214	1.1578	1.1962	1.0294	1.0322	1.7822	0.6136	1.4721	0.8715	0.5568	0.3365
N-acetylglycine	N-Acetylglycine	1.3590	0.7364	1.1716	0.9296	3.4528	1.0113	0.5969	1.3769	0.7644	1.6469	1.7191	0.7287	1.1821	0.4760	1.5293	1.5199	1.5156	1.2471	0.9974	0.8122	0.8216	2.5240	1.4628	0.7379	0.9777	1.0203	0.4549	1.0563	1.1076	0.9062	1.0913	2.5984	2.5591	0.7679	1.7154	0.7143	0.7417	0.7421	1.7659	0.9342	0.5379	1.3544	1.3897	0.8193	1.4767	1.0630	0.9264	0.7656	0.5689	1.6143	3.0520	2.6646	1.7726	1.1063	0.6279	0.6758	0.7158	0.8867	0.5217	1.1923	0.6603	0.5234	2.3054	0.6291	1	1.4621	2.8250	0.9387	2.1260	0.5067	0.5520	0.5185	0.6722	2.2016	0.7306
N-acetylhistidine	N-Acetylhistidine	1.3555	1.3485	0.8769	1.1536	1.1141	1.1598	1.0996	0.6504	3.2269	2.8386	1.3969	1.0332	0.8684	1.3502	1.3503	0.9926	0.8127	0.7665	1.6159	1.4445	1.0471	0.3856	1.1529	0.7927	0.4884	0.7656	0.5960	0.9490	1.2477	1.1007	1.4086	0.6874	0.6174	0.7023	1.3633	0.7086	0.7456	1.6872	1.0815	0.8659	1.4770	1	1.8431	1.4757	1.0606	0.6809	1.1838	0.6253	0.9607	1.3256	0.9622	0.4916	0.9775	0.8791	0.9005	0.7698	0.7172	1.1375	1.5494	1.5983	0.6244	0.8288	0.4858	0.9966	1.0681	1.3866	0.6365	1.0376	4.5582	0.9851	0.9471	1.1008	1.5721	0.2649	0.8374
N-acetylisoleucine	N-Acetylisoleucine	0.8814	0.8560	1.0329	1.1063	1.0814	1.2282	0.8095	0.6558	0.9269	1.0460	1.3702	0.8368	0.9122	0.5036	0.9526	1.2797	0.5036	0.9506	0.8984	0.7473	1.0463	0.9947	0.8345	1.0232	1.2003	0.8089	1.0053	1.4714	0.7474	1.1509	1.3028	0.9147	0.8281	0.8209	1.1186	0.8896	0.6519	0.9441	0.8212	0.8525	0.8424	0.7390	1.1658	1.2834	0.9079	1.1876	0.8236	1.4137	0.9210	0.8843	0.9540	1.2214	1.1141	1.3688	1.4974	1.6199	0.8430	1.2750	1.2240	1.5427	0.6576	1.0377	1.3565	1.2475	1.2682	1.1712	1.4265	0.9176	0.9416	1.4580	1.3200	0.8898	1.0819	0.9436	1.1979
N-acetylkynurenine (2)	N-Acetylkynurenine	0.2002	0.3026	0.8892	1.6169	0.9660	1.1096	0.6035	0.3543	0.8842	0.2344	0.4151	0.1774	0.7175	0.2342	2.6056	0.7382	0.1774	0.5847	1.2343	0.4165	0.8908	0.4751	0.6808	1.0108	2.3063	0.4247	2.8514	0.9989	0.2321	2.5333	1.0246	0.1774	0.8367	0.2258	0.7610	2.3549	0.3705	1.0011	0.8414	1.2204	1.9556	0.2410	0.1774	1.1890	1.6772	0.7465	1.6918	1.5654	0.8386	0.7895	0.6091	0.4590	1.0521	1.2056	1.6342	2.2610	1.6498	1.6045	5.9674	7.1673	0.1774	3.1616	0.8767	1.1045	0.6413	1.0064	1.9243	1.8571	2.4914	2.7197	1.3384	2.8328	0.7866	0.1774	2.2089
N-acetylleucine	N-Acetylleucine	0.9458	0.9673	1.1094	0.9838	0.6183	1.2421	1.0504	0.6947	0.8668	0.9723	1.3465	0.6381	0.6334	0.7041	0.7080	1.4725	0.5888	1.1402	1.0518	0.9038	0.8839	1.4722	0.8367	0.8328	0.9837	0.6025	0.7261	1.7027	0.8551	1.1465	1.7150	0.7092	0.8106	0.7783	0.9643	0.9575	0.6056	1.0915	0.7465	1.0915	0.9846	0.6579	1	0.9628	1.1257	0.9978	1.1122	1.3773	0.8095	0.8395	1.0008	0.8702	1.0188	1.2203	1.5173	1.5524	1.2446	1.5982	1.7064	2.4078	0.7872	1.4344	1.0961	1.0546	0.9945	1.0287	1.5553	1.2835	1.0760	1.4015	1.1137	1.5594	1.1322	0.5774	1.1820
N-acetylmethionine	N-Acetylmethionine	0.9403	1.1322	0.9979	0.7665	1.0730	1.1046	1.3171	0.7722	1.1243	0.9099	1.4996	1.0445	0.8023	0.8809	1.1405	1.2181	0.7850	1.0814	0.9104	1.3471	1.0545	0.8388	1.0350	1.3194	1.1963	0.7737	0.8551	1.1967	0.9869	0.8607	1.1392	1.0920	0.9099	0.6284	0.7932	1.0126	0.8925	0.8169	1.3338	0.9745	0.7913	1	2.1569	1.0156	0.9642	1.0897	0.9448	1.3817	0.9513	1.0484	0.9817	1.0557	1.1194	1.0244	1.0161	1.2176	0.7983	1.1874	1.2359	1.0539	0.6499	0.9038	1.1759	0.9881	0.8527	1.2176	1.0022	0.8222	0.5988	0.9889	0.5137	0.7615	0.9673	0.8990	1.2422
N-acetylneuraminate	N-Acetylneuraminic acid	0.7721	1.1677	0.9086	1	0.8476	1.1335	1.1818	0.9369	1.3528	1.1821	1.2922	1.1493	0.8908	1.1930	1.3783	1.6356	0.7480	0.9850	0.6594	1.2511	0.8344	3.3729	0.7120	1.4609	0.9296	1.0016	1.3776	0.9548	1.0780	0.8235	1.5852	0.7670	0.5547	1.1337	1.0808	0.9373	0.8442	0.9017	0.8241	0.7147	3.9737	1.3038	1.1273	1.3945	0.7561	1.3533	1.7505	1.1187	1.0497	1.0471	1.0441	1.1510	0.7757	0.9855	0.9774	1.1196	0.6929	0.8903	1.0215	1.6791	1.0573	1.3687	0.9049	1.2069	0.9753	0.8930	0.9411	0.8697	0.7469	0.9977	0.7242	0.9329	0.8262	0.7400	1.0472
N-acetylphenylalanine	N-Acetylphenylalanine	0.9349	0.7870	1.1769	1.0880	0.5970	1.1060	1.1405	0.5935	0.8458	0.7773	0.9339	0.4964	0.7239	0.6942	1.2732	1.0475	0.5421	0.7857	1.3945	0.8232	0.7579	0.6447	0.8338	0.8772	1.0294	0.4914	1.0625	1.0653	0.9209	1.0468	1.4470	0.5280	0.7842	0.3851	1.2997	1.0074	0.6692	0.9792	0.8581	1.1566	0.8689	0.6640	0.7219	1.0282	1.2218	0.8432	1.2170	1.3125	1.2739	1.2779	0.9010	0.5892	0.7504	0.8173	1.3721	1.0681	1.5133	1.4153	3.7031	3.7292	0.7164	1.4154	1.0846	1.1489	0.9839	1	1.6018	1.2939	1.0357	1.7946	0.7862	1.0952	1.2690	0.7193	1.3780
N-acetylputrescine	N-Acetylputrescine	1.3044	1.1666	1.3989	0.7054	0.8404	1.0724	0.9074	1.0503	1.3911	1.3236	1.2636	0.6658	0.9981	0.8750	1.6779	1.0410	0.8597	1.2082	0.9134	1.1731	1.0046	0.9132	1.0597	0.6447	0.6564	0.9821	0.7293	1.2136	1.3047	0.9512	1.1210	0.9016	1.3062	0.8785	1.5132	1.1629	1.4073	1.4345	0.9016	1.2549	0.8602	1.1795	0.9075	1.1320	1.0401	0.9933	1.1531	1.1841	1.0385	0.9662	0.8586	0.8605	1.1611	1.2353	1.2708	0.8252	0.8555	1.0148	1.1661	0.9863	0.7998	0.8612	1.0775	1.1692	0.7609	0.9087	0.6868	0.7657	0.7332	1	0.9719	0.8427	0.7338	0.9098	1.1080
N-acetyl-S-allyl-L-cysteine		0.6175	0.7920	0.2139	0.2139	0.2139	0.2139	0.2139	0.2139	0.2139	0.2139	1	0.2139	0.2139	0.9740	0.6159	0.6332	0.8250	0.2139	1.1157	1.5969	0.7106	2.1481	0.2139	0.2139	4.1837	0.2139	0.6664	0.9668	0.2139	0.2139	0.2139	1.0965	0.2139	0.2139	0.2139	0.2801	0.5717	0.6707	0.9811	1.0036	0.7118	1.0709	0.2139	0.2139	0.7160	0.2139	0.9354	0.2139	0.2139	0.2139	0.2139	0.2139	0.2139	0.2139	0.5597	0.2139	3.4771	2.3489	0.2139	1.6476	1.9886	1.5120	0.5803	6.6774	0.2139	9.1743	0.2139	1.0498	3.9176	3.3394	0.2139	1.9851	3.0326	0.2139	0.2139
N-acetylserine	N-Acetylserine	0.7561	1.3262	1.0343	0.7853	0.8986	1.1561	1.1607	0.8234	1.1060	1.0444	1.2849	0.7993	1.0010	0.8733	1.0428	0.9237	0.7623	1.1219	0.9210	1.2066	1.1076	0.8969	0.8909	1.1766	0.9779	0.7603	0.8683	1.0865	0.9460	1	0.8727	0.8188	0.9446	0.8063	1.0533	1.1216	0.8513	0.9973	1.1465	0.9546	0.7648	1.1604	1.7918	1.0458	0.8981	1.2740	0.9752	1.3393	1.0347	0.9860	1.1004	1.1729	1.1861	1.1868	1.1819	1.0462	0.8569	1.0306	1.0710	1.0606	0.8406	1.0006	0.9935	1.0616	1.0541	0.9957	1.1314	0.9370	0.9267	0.9497	0.6961	0.9282	0.9350	0.9245	1.2193
N-acetyltaurine	N-Acetyltaurine	0.8081	0.8687	1.1032	0.7023	1.0294	1.0540	0.9616	0.7607	1.1474	1.2329	1.0921	0.9205	1.1359	0.6172	1.1218	1.0311	0.8264	0.8247	0.7648	1.0583	1.1283	0.7458	0.8724	1.1016	0.7302	1.0419	0.5022	1.0421	0.7785	0.9141	3.1835	0.7667	0.7797	0.7339	1.1097	0.9088	1.0577	1.1909	1.2775	0.8422	0.8856	1.2081	1.0057	0.8836	0.9887	1.1240	1.3761	1.6565	0.8765	1.2320	1.1707	1.1359	1.1049	0.9886	1	0.7904	1.0616	1.0892	1.1248	2.1230	0.7939	0.7976	1.0108	0.8641	1.4316	1.6371	1.1806	1.1295	0.7591	0.9905	0.4874	0.9614	0.9382	0.8012	0.8794
N-acetylthreonine	N-Acetylthreonine	0.7365	0.9913	1.1368	0.7689	0.8018	1.0815	1.8002	0.6543	1.2617	0.9630	1.5774	0.7689	1.0162	0.7243	0.9023	0.7782	0.7609	1.1728	0.7839	1.1167	1.1446	0.7343	0.7971	1.2268	0.7889	0.8223	1.1179	1.3403	0.9860	0.9557	1	0.7746	0.9473	0.7046	0.9955	0.7362	0.8977	1.2271	1.1064	0.8224	0.8199	1.0152	1.4693	0.8390	0.9147	1.4242	1.0775	1.2052	1.0836	1.2175	1.2835	1.1716	1.4232	1.0974	1.3066	1.2750	0.8521	1.1986	1.3309	1.2337	0.8631	0.9639	1.1012	1.2828	1.0618	0.8689	1.3903	0.9322	1.0072	0.8722	0.7335	0.8379	1.0701	0.9066	1.5321
N-acetyltryptophan	N-Acetyl-tryptophan	1.0224	0.7522	1.1431	1.0327	0.7372	0.5363	0.9492	0.5707	1	0.7239	0.6027	0.7905	0.7784	0.9131	1.6697	0.9011	0.6872	0.7854	1.2143	0.9253	0.6981	0.5755	0.7642	0.5287	1.3103	0.6391	0.9308	1.5311	1.0964	1.0203	1.2123	0.5251	0.5769	0.3665	1.1007	1.4347	1.0340	1.0090	0.9934	1.1099	0.6260	0.7451	0.4515	1.3130	1.5166	1.1883	1.6859	1.5566	1.8216	1.3120	1.3752	0.8477	0.7695	0.7148	0.9956	1.6182	1.2754	1.6852	2.5380	2.2035	0.9123	1.2815	1.2449	0.9712	0.7732	1.3918	0.8569	1.2285	0.9298	2.0929	1.2271	1.0593	1.8290	0.6220	2.2849
N-acetyltyrosine	N-Acetyltyrosine	0.8271	0.8030	1.0151	1.0754	0.7694	0.9305	1.1968	0.1610	0.6904	0.5679	1.0798	0.7383	0.5055	0.5901	1.3573	1.3899	0.5692	0.8728	1.8211	0.7274	1.1000	0.7035	0.9555	0.7361	0.7660	0.5887	1.0714	1.3173	0.9020	1.4764	1.4911	0.1610	0.7431	0.1610	1.2727	0.6730	0.3463	1.0613	0.7620	0.9980	0.8789	0.6777	1.0020	1.2376	1.2777	0.9662	1.3958	1.0180	1.4356	0.8560	0.9770	0.7573	0.6950	0.8945	1.4553	1.3253	1.4404	1.4028	4.6909	4.3889	0.7896	1.5602	0.9220	1.1242	0.5836	1.1646	1.2056	1.4787	1.2214	2.2568	1.0134	1.6715	1.0111	0.1610	0.9550
N-acetylvaline	N-Acetylvaline	0.9053	0.9965	0.9307	0.8523	0.9813	1.0540	0.9788	0.8025	1.1521	0.9558	1.1163	0.8148	0.9265	0.8860	0.8540	1.0134	0.7948	1.0916	0.8072	1.0889	0.8419	1.0050	0.9227	1.0287	0.8616	0.7548	0.8458	1.1801	1.0965	0.9096	0.9738	0.8059	0.9374	0.7977	1.0829	1.1358	0.8778	0.8631	0.9251	1.0800	0.9212	1.0815	1.2956	0.9198	0.9592	1.1341	1.0627	1.1043	1.0863	1.0488	1.0648	0.9800	1.1494	1.1311	1.0345	1.3377	0.8552	1.1948	1.0143	1.2084	0.9521	0.8649	1.0896	1.0547	0.9524	1.0999	1.2289	1.0855	0.8871	1.0897	1.0315	0.9884	1	1.0527	1.0991
N-alpha-acetylornithine	N-Acetylornithine	0.9630	0.8049	1.4744	1.0588	0.8824	0.8265	0.8536	0.7800	1.3165	2.2978	1.0771	0.9389	0.6909	0.8147	1.0106	0.8176	0.7509	1.1424	1.2628	1.0272	0.8466	0.6269	0.6646	0.3792	0.4268	1.1491	1.1358	1.1375	1.3188	1.1451	1.1524	0.3501	0.9791	0.4451	1	1.9530	0.8136	0.5893	0.6683	1.1170	1.1871	0.8115	0.8319	1.1722	0.8101	1.1226	1.0336	1.1521	0.7452	0.9423	1.3762	0.9443	1.1628	1.0565	1.1723	1.2331	0.7753	1.9488	1.4834	0.9931	0.5209	0.8223	1.1739	0.9607	4.7537	1.5851	1.2874	1.2095	0.8428	1.1533	0.7507	0.9488	1.3493	1.1279	0.4663
naproxen	Naproxen	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
N-behenoyl-hexadecanoylsphingosine (d16:1/22:0)*		0.9579	0.7234	1.0661	0.9738	1.1725	0.8466	1.3658	0.8319	1.3547	0.8045	1.0234	1.2290	0.8233	0.7896	1.0294	0.9975	0.5901	1.4488	1.2694	0.5440	0.9415	1.1709	0.5449	1.0045	1.0127	1.2792	1.5999	0.9804	1	1.1027	1.9815	0.5762	1.0270	0.7152	0.6722	0.8353	0.8326	1.0242	0.9897	0.6502	0.9494	1.0641	0.6950	0.9927	0.8852	1.2396	1.3004	0.9785	1.2183	0.9521	1.8987	1.0286	0.8021	0.7566	0.9236	2.2913	0.6554	1.3120	1.6997	1.2795	0.8331	0.6952	1.0771	1.0614	0.8169	1.4396	1.3150	1.1071	0.6399	1.6070	1.5422	1.1442	0.9998	0.7057	1.5695
N-behenoyl-sphingadienine (d18:2/22:0)*	Cer 18:2;O2/22:0	0.7596	0.4612	0.6612	0.9450	1.0430	0.8747	1.1191	0.8029	1.0532	1.2306	1.0495	1.1873	0.9211	1.0022	1.0245	1.5913	0.7597	1.1987	1.2971	0.4823	1.1871	1.1410	0.5985	0.8581	1.1455	0.8232	1.3693	0.8211	0.9025	0.9445	2.0564	0.5946	1.0541	0.6218	0.6620	1.1295	0.5175	0.7721	0.9802	0.5095	0.8586	1.3435	0.5666	1.0893	0.8785	1.1037	0.9863	0.8505	1.0268	1	1.7192	1.0392	0.6803	0.7058	1.0218	1.5774	0.9283	1.5198	1.5583	1.3193	0.8366	0.7422	1.0652	1.1641	0.8474	1.5188	1.1157	0.8263	0.5628	1.8010	1.3124	1.1556	0.9480	0.6655	1.4231
N-delta-acetylornithine	N(5)-Acetyl-ornithine	0.5728	0.6004	2.0077	0.5218	0.8319	0.7153	1.0510	1.5906	1.5538	6.8364	0.9516	1.0964	1.1424	1.9089	0.8981	0.5143	0.7281	1.5600	0.2871	2.1392	2.0586	0.2932	1	0.5540	0.3966	1.3898	0.4082	4.8906	1.0660	0.4474	0.6244	0.4240	0.6601	0.9046	1.6233	3.4926	2.1416	0.6358	1.0636	1.7892	0.3761	1.5075	0.4632	0.9359	0.8657	1.2093	2.0774	1.6966	0.6776	2.1702	1.8398	1.4993	1.9900	1.1081	0.6504	1.5205	0.4671	1.6287	0.4914	0.4091	0.7266	0.6996	3.7082	2.0765	27.9362	3.4728	1.6995	0.8376	0.8836	0.5792	0.9823	0.5515	0.9375	2.2093	1.1691
nervonoylcarnitine (C24:1)*	CAR 24:1	0.8289	0.7917	0.7558	0.7598	0.9139	0.8134	0.9771	1.6555	1.0928	0.7365	0.7298	0.9582	0.9526	1.4473	0.9282	1.0903	0.9503	1.3010	0.7442	1.1213	1.1881	1.1909	1.1647	0.8640	0.9160	0.6646	0.5830	0.7045	0.7927	0.9442	1.2179	0.9061	1.5173	0.9107	2.0554	1.3847	0.8707	0.8169	0.9623	1.2874	0.8661	0.9463	1.2480	0.7729	1.1009	2.2092	0.8101	1	1.7908	0.8087	1.9870	1.0002	1.5183	1.2390	1.1943	2.1060	1.5252	1.6006	1.0279	1.5378	0.7696	0.9223	1.2529	1.2486	1.7288	0.9254	1.1714	1.5928	1.8555	0.5581	1.0837	1.3539	1.6257	0.9055	0.7975
N-formylmethionine	N-Formylmethionine	0.8175	1.0651	0.9575	0.7067	0.8671	0.9237	1.0724	0.7547	1.1812	1.3429	1.2683	0.8530	0.8721	0.9628	0.9984	1.0642	0.7951	1.1337	0.9134	1.2654	1.1809	1.0373	0.9459	0.9947	0.9752	0.7620	0.6928	1.0530	1.1933	0.8693	0.9627	1.0189	0.9038	0.6764	1.2589	1.2963	0.9716	1.0263	1.1591	1	0.7939	0.9766	1.4955	1.0156	1.0156	1.1510	0.9389	1.3318	0.9602	0.9113	1.0826	1.1559	1.4620	1.0975	1.1336	1.2566	0.9123	0.8054	1.2386	1.0530	0.7916	0.9607	1.1340	0.9176	1.1474	1.0844	1.2891	1.0038	0.8252	1.1127	0.8112	0.8292	0.9816	0.9155	1.2497
N-formylphenylalanine	N-Formylphenylalanine	1.1349	0.7757	1.2074	0.8237	1.0280	0.5502	0.7356	0.7016	1.3718	0.8756	1.1844	0.8779	0.9990	0.6864	0.5637	0.9117	0.5212	0.9507	1.0071	0.8440	0.9793	0.8603	1.1179	1.1665	0.9401	2.3189	0.9107	2.0465	2.1227	0.9910	1.1901	0.9434	0.7900	0.6524	1.0082	1.0600	0.8275	0.9162	0.9666	1.2383	1.1803	1.6499	0.6301	1.2623	0.9059	1	0.8158	1.1812	1.0743	0.9437	1.1426	0.7584	1.1724	0.4115	0.8889	1.3191	1.1176	1.4876	2.5655	0.7988	1.0324	1.2691	1.5898	1.0626	1.4023	1.2121	0.9069	0.9022	1.1213	1.0182	0.7484	1.6027	1.1045	1.4449	0.6882
nicotinamide	Niacinamide	0.9204	1.0366	1.3148	0.8918	1.0180	1.0678	0.9685	1.1657	1.1693	0.6009	1.0051	0.9269	1.1616	1.6992	2.0712	1.2864	0.9474	0.9894	0.6407	1.4886	1.6796	0.9032	1.2720	1.3290	0.8981	0.3113	0.9648	0.8373	0.8030	1.0179	1.4748	0.5947	1.2302	1.0763	1.0909	1.1347	0.9358	1.6271	0.7771	0.7899	1.4647	1.1928	1.5853	0.8856	1	0.7560	1.5478	1.1568	1.4302	0.9698	0.7124	1.3529	0.5803	0.7940	0.7069	1.5518	0.5987	1.6647	1.3801	0.8933	0.8871	1.1740	0.7333	1.3914	0.7527	0.8463	1.1379	1.1739	0.6879	0.6890	0.9500	1.0218	0.8368	0.7213	0.9628
N-linoleoylglycine	N-linoleoylglycine	0.4848	0.4761	1.2283	0.7569	0.4192	2.0499	1.1546	0.9796	0.4192	2.6582	0.8325	0.4192	0.4192	0.4192	1.6817	1.1242	0.5527	0.4192	0.7292	0.4192	1.0962	1.1051	0.4192	0.4192	0.4712	0.4192	0.5047	0.4192	0.4192	0.4192	1.2015	0.4192	1.5365	0.4192	1.8900	0.7557	0.4192	0.4192	0.4192	0.4192	0.4192	0.4192	0.4192	1.5364	1.1162	0.4192	0.8046	1.0204	1.4226	0.6212	0.4192	2.3835	0.7879	0.4192	0.7030	0.4192	0.4707	0.6603	1.8858	1.1098	0.5019	0.8182	0.8826	1.8088	1.6284	1.1258	1.4461	1.5657	0.4192	0.6844	0.4192	0.4192	0.7457	0.5803	0.4192
N-methylpipecolate	N-methyl pipecolic acid	4.1461	1.6878	5.8849	0.5628	0.3359	0.5360	0.8716	0.8325	2.1058	6.1126	1.0312	0.8558	1.3772	0.2982	0.8067	0.3836	0.5062	2.0874	0.2814	1.4943	1.1287	1.7704	1	0.5205	0.4930	0.2731	0.8730	1.0764	0.9054	0.9052	0.9801	0.3633	0.7917	0.3855	3.5076	0.7195	1.6195	6.4625	0.3290	3.6258	0.7413	4.3362	1.2804	0.9124	5.6572	0.7737	9.0244	1.0533	1.5519	1.7899	4.8052	0.5736	1.2670	2.9188	1.3769	2.3284	0.9527	1.6447	0.5761	0.4748	0.6180	0.3612	12.1630	0.8950	7.0929	0.9917	6.3182	6.2384	3.4170	1.0295	4.0560	2.6170	0.9544	0.7930	0.3225
N-methylproline	N-Methyl-proline	0.4481	0.3680	12.2488	1	0.9502	4.6753	17.2470	0.7299	8.7072	8.1960	9.1327	0.2851	1.8947	2.2383	1.6666	0.5223	0.2601	7.2852	1.4415	0.7577	27.2564	0.5482	0.3528	4.7986	0.7885	0.5097	0.3654	4.9482	0.6156	0.5303	0.3837	1.3462	0.3802	2.3573	1.1088	1.2200	0.3831	1.5397	0.3031	0.4595	0.8635	2.0275	0.5633	0.3712	0.4075	2.1481	1.3449	3.8754	0.5202	5.1872	3.6735	4.7472	8.3807	0.9073	0.4742	0.6184	1.0996	0.6538	1.3786	0.2422	0.3344	4.8283	1.0657	8.0100	2.9997	0.6222	0.9123	0.5145	0.7097	1.1474	2.0133	0.6511	0.6631	1.4863	16.6459
N-methyltaurine	N-Methyltaurine	0.1954	0.1954	0.7353	0.1954	0.1954	0.1954	1.3491	1.2053	0.1954	3.8506	1.0920	0.1954	0.1954	0.8705	0.1954	0.1954	0.3284	0.1954	0.1954	3.7217	2.3674	0.1954	0.7413	0.1954	0.1954	0.1954	0.6207	4.6331	2.0633	0.1954	0.1954	0.1954	0.4081	0.1954	0.1954	0.1954	0.3043	2.7115	0.1954	0.5288	0.1954	0.9080	0.1954	1.6076	0.3124	0.1954	0.1954	0.1954	0.1954	7.4155	0.1954	0.1954	6.4230	0.1954	0.1954	0.6365	0.1954	0.1954	0.1954	0.7672	0.2139	0.2927	0.1954	1.4742	0.1954	4.0517	0.1954	0.1954	0.8718	4.9509	0.4826	1.7095	2.0353	0.1954	0.1954
N-monomethylarginine	Targinine	0.6628	0.5634	0.7802	0.9534	0.8133	0.8983	0.7023	1.1470	1.0711	0.7417	1.1756	1.2834	0.8783	1.0954	0.4395	1.0847	0.8768	0.8377	0.7141	1.1966	1.0434	1.1829	0.8478	0.5905	0.4762	0.3191	0.6564	0.8506	1.0409	1.3315	1.1439	0.8131	1.1922	0.6075	0.8558	0.8644	0.9715	0.8742	0.7940	1.1386	1	0.9771	1.0763	0.9876	1.0917	1.2310	1.0885	1.0561	0.6894	0.7261	0.6456	1.1441	1.0789	1.1170	1.0334	1.1377	1.0973	1.1496	0.4590	1.2431	0.6624	1.1392	1.0465	0.7900	1.8095	0.8719	0.5816	1.1624	0.4970	1.0903	1.2200	1.1133	1.1608	1.1191	1.3243
N-nervonoyl-sphingadiene (d18:2/24:1)*	Cer 18:2;O2/24:1	1.1308	0.6461	0.9112	0.9520	1.3495	0.7747	1.2571	1.0251	1.2085	0.6960	1.2914	1.2738	0.9964	0.7351	0.8560	0.7326	0.9668	1.3396	1.2448	0.6935	0.8465	1.0186	0.5503	1.1479	1.1622	1.2205	1.2489	0.9404	0.8517	1.0340	2.2196	0.7860	1.3946	0.8703	1.2300	0.5793	0.7501	0.8437	1.4815	0.8751	0.9977	0.9989	0.9873	1	1.2389	1.0454	1.1823	0.7501	1.2467	0.8543	1.6332	1.2894	0.9039	0.8617	0.9547	1.1080	0.6849	1.3970	0.7191	1.5794	0.9057	0.6684	1.0657	1.0977	0.7085	1.5928	0.3177	1.5026	0.5300	1.3544	1.2977	1.1590	1.4575	0.9479	1.0129
N-oleoyltaurine	N-Oleoyl taurine	1.0851	1.1410	0.9621	0.8854	1.4015	1.1778	0.9846	1.4677	0.9556	1.0305	0.7106	0.7049	1.0634	1.4335	0.8544	1.6556	0.8216	1.2193	0.5296	1.1985	1.2743	1.2282	1.1824	1.2791	0.7940	1.0478	0.3509	0.5769	0.7191	0.2936	1.5995	0.6701	1.2451	1.5790	2.9041	0.8196	0.9461	0.2634	0.9340	1.6688	0.4230	1.0877	1.3823	0.4218	1.0030	0.6377	0.6583	0.7629	1.1046	1.0420	0.8136	2.0549	0.9292	0.7973	1.1963	0.6671	1.3993	0.9771	1.3508	0.9927	0.6546	0.2634	1.1226	1.1567	1.0139	1.2108	1.7491	1.3813	1.0716	0.3349	0.9970	0.6221	0.7709	0.7313	0.8735
nonadecanoate (19:0)	Nonadecylic acid	0.9725	1.1738	1.0667	1.2744	1.4868	0.9571	1.3202	1.1040	0.9282	0.9583	0.8594	0.7742	0.7687	1.1106	1.0361	1.4022	0.9367	1.6529	0.6807	1.1279	1.0862	1.5107	1.4158	0.8334	1.3238	0.9158	0.7389	0.6021	1.0564	1.0444	1.3522	0.7355	1.0437	1.2704	1.2654	0.7238	0.8515	0.5804	0.7989	1.1510	0.7167	0.6050	1	0.8121	1.0592	1.1185	0.9509	0.7114	1.1257	1.1140	1.1605	1.4008	0.8846	1.5077	1.1755	0.9339	0.8193	0.9000	0.9240	0.8063	1.1588	0.9626	1.2379	0.8580	0.8279	1.3315	0.9193	1.2233	0.7845	0.6587	0.8295	0.7153	1.3556	1.2826	1.0128
N-palmitoylglycine	N-Palmitoyl glycine	0.9212	1.0210	1.5307	1.0332	1.9348	1.4424	1.3978	0.8230	1.0111	1.2191	1.0997	0.7554	1.1138	0.6803	1.8231	1.3659	1.0752	1.0473	1.0603	0.9657	1.0069	1.4831	0.9907	1.0156	1.1211	0.9452	0.8315	0.9674	0.8800	0.8502	1.8146	0.8682	1.4750	0.6288	2.6576	0.5012	0.5663	0.4145	1.1023	0.9997	0.8105	0.7450	0.8495	0.9008	1.2616	1.1664	0.9933	0.8357	1.2018	0.9868	0.8252	1.8767	0.8918	1.3140	1.1940	1.1519	0.7253	0.9977	1.7329	1.2075	1	0.9830	1.0350	1.0947	0.8152	1.1101	0.5177	1.4601	0.5926	0.8074	0.8579	0.6929	0.8773	0.9413	1.1366
N-palmitoyl-sphinganine (d18:0/16:0)	Cer 18:0;O2/16:0	0.7691	0.8461	1.2895	0.7410	1.2249	1.3767	1.1840	0.8641	0.9716	0.8781	1.5501	0.6678	0.7250	0.7715	1.9047	1.3872	0.5643	0.8667	1.0832	0.8562	0.9446	1.0424	0.6545	0.9494	1.0362	1.1572	0.7057	0.9190	0.8029	1.1267	1.8229	1.1876	1.0579	0.9855	1.5281	1.1960	0.7770	1.4444	0.8500	0.6886	1.1633	1	1.2148	1.2936	0.7659	1.1050	1.2004	0.6686	1.4049	0.5390	1.4075	1.0257	0.9598	0.9267	1.2132	1.7610	0.9345	1.1172	1.2501	1.9210	1.0186	0.5817	1.0274	1.0562	1.8042	0.8813	0.7606	0.8340	1.0274	0.7287	1.6372	0.8761	0.7199	0.8286	0.9019
N-palmitoyl-sphingosine (d18:1/16:0)	Cer 18:1;O2/16:0	0.9247	0.9580	0.8400	1.1240	1.1128	0.9677	1.4020	1.0947	1	0.8196	1.1992	1.2211	0.6763	1.1155	1.4509	1.2194	0.8875	0.9842	1.2046	0.7289	0.7474	0.9287	0.8751	1.1149	1.0247	1.4765	1.2459	1.1135	0.8516	0.7400	1.8394	1.0276	1.3870	0.6922	1.1445	0.6321	0.8534	1.0163	0.8813	0.8497	0.9250	1.2143	1.5771	0.8149	1.1450	1.2863	1.4350	0.6880	1.1669	0.7069	1.4013	1.3403	0.7718	0.8062	0.8780	1.7492	0.7461	1.1579	1.3942	1.2977	1.0390	0.5007	1.3006	1.1337	0.8392	0.9217	0.7394	1.0739	0.6869	0.9417	1.5811	0.9167	0.8485	0.8829	0.8024
N-stearoyl-sphingosine (d18:1/18:0)*	Cer 18:1;O2/18:0	1.0082	0.7551	0.8999	1.0178	1.2012	0.9990	2.0986	0.9376	1.2710	0.4825	1.4176	1.2046	0.7995	0.7180	1.1714	0.6654	0.7922	1.3336	1.6149	0.6995	0.6576	1.5918	0.4430	1.5853	1.4780	2.3621	1.9077	1.1384	0.9310	1.2839	2.7546	0.9511	1.5981	0.8323	0.9526	0.3632	0.8482	0.8896	1.2539	0.8547	1.0488	0.8999	0.8263	0.9572	1	1.2391	1.5245	0.6710	1.3781	0.7285	1.7927	0.9859	0.8464	0.8603	1.0619	2.2411	0.5971	1.4288	1.5644	2.2740	1.0211	0.5494	1.1600	0.8369	0.5398	1.1713	0.3318	1.2771	0.5057	1.2507	2.2998	0.9292	0.9793	0.8308	1.5449
N-stearoyltaurine	N-Stearoyl taurine	0.4936	0.6930	0.7633	1.2095	1.0344	0.4936	0.5851	1.5928	0.7251	0.4936	0.4936	0.4936	0.6263	1.5999	0.9770	1.5344	0.4936	0.4936	0.5575	0.7474	0.4936	1.5639	0.6222	0.4936	0.4936	0.8606	0.6903	0.6610	0.4936	0.4936	1.7046	0.4936	1.0238	0.4936	2.2607	0.4936	0.4936	0.4936	0.4936	0.8460	0.6898	0.4936	0.4936	0.4936	1.3539	0.9372	0.6188	0.7442	0.8070	0.4936	0.4936	0.4936	1.0230	1.1041	2.4112	0.6795	1.3762	1.4347	0.7974	1.3502	1.1658	0.4936	0.8286	0.4936	1.9100	1.1848	0.4936	1.0407	1.5902	0.4936	1.1915	0.4936	0.6268	0.4936	1.2461
O-acetylhomoserine	O-Acetyl-homoserine	1.1144	1.1888	3.6825	0.6801	3.0960	1.3268	0.6631	0.7838	0.7479	3.6193	1.6454	0.6391	1.2093	0.8966	3.5815	2.7405	1.0545	0.9867	1.4222	1.2325	2.4783	3.6494	1.4541	0.3940	1.2893	0.8401	0.7137	1.2481	0.6716	0.4120	2.7684	1.9298	3.2625	1.1836	4.3810	0.4726	0.5891	0.2531	1.4762	1.0938	0.2996	1.2266	1.6449	1.2894	0.5407	1.7029	0.7823	0.4314	0.7568	1.2540	2.1937	2.7762	0.6631	1.3139	0.6115	0.5179	1.1083	0.6553	0.4279	1	0.8318	0.9455	1.2403	0.3748	0.8569	3.1280	0.8301	0.6447	0.9280	0.8406	0.2807	0.4517	0.4373	1.9312	0.4379
o-cresol sulfate	o-Cresol sulfate	0.3563	0.3563	1	0.3563	0.3563	0.3563	0.3563	0.3563	3.1349	1.2660	0.3563	1.8040	0.3563	0.6295	1.2748	0.6798	0.3563	0.6571	0.3675	0.6107	1.4073	0.3563	1.1420	0.3563	0.7876	0.3563	0.3563	0.9839	0.3563	0.3563	0.3563	0.3563	0.3563	0.3563	0.3563	1.3435	0.3563	0.7200	3.8154	0.3563	0.3563	0.3563	0.3563	0.5267	0.6044	1.3946	0.9150	0.9540	0.3563	0.5881	0.4590	0.3563	0.7183	2.3428	0.3563	0.3563	1.5365	3.9042	0.3563	0.6348	0.3563	0.5613	1.1997	0.6767	5.1942	2.1545	2.7793	1.1252	3.2115	1.1923	0.4910	1.1836	0.5523	1.0940	0.3563
octadecanedioate	Octadecanedioic acid	1.6084	0.9879	1.0488	1.1746	1.0165	0.7599	0.7055	0.4654	0.9401	3.2961	1.3740	0.4999	1.2281	0.2786	1.2718	0.7550	0.7460	1.4110	0.6441	1.4532	1.0994	1.4828	1.2869	0.8634	1.2023	0.8568	0.7365	0.8897	0.8937	0.7130	0.6181	1.5511	1.4683	1.0823	1.8673	1.2640	0.7934	0.9614	0.8995	1.1787	1.2316	0.5476	0.8869	0.2786	2.0924	1.1736	1.0679	1.5515	0.6977	0.9602	0.5468	1.0121	0.5130	2.2484	2.3617	0.7274	0.7045	1.8574	1.2151	1.3072	0.7506	0.8983	0.3826	0.6204	2.3946	1.1826	1.1889	1.4737	0.8171	0.9186	0.7895	0.7600	1.1480	0.8470	1.3508
octanoylcarnitine (C8)	CAR 8:0	0.9312	1.8324	0.3085	0.7464	0.9659	0.9712	1.0743	3.3069	1.2600	1.1547	1.4055	0.6413	0.8199	2.2748	0.9586	0.9483	1.7174	0.5402	0.7074	1.5577	0.8546	2.3374	0.5576	1.0462	1.3834	2.1895	0.9596	0.4121	0.7845	1.0730	0.6191	1.5291	0.8994	0.8898	1.4977	0.6070	0.6345	0.5291	1.7769	1.8636	0.4241	0.9887	2.5888	1.0627	1.0419	1	0.7429	0.9354	0.9843	2.1429	1.5297	1.2191	1.6755	1.0515	1.7357	0.9083	1.0492	1.2930	1.0407	1.0627	0.7292	1.3079	1.0112	0.8253	1.1093	0.9480	0.6400	0.6738	0.9811	0.6462	0.5279	0.9508	1.2747	2.9275	1.6049
oleamide	Oleamide	0.0105	0.5003	1	0.9244	0.4838	0.5774	2.5517	1.6742	2.2449	1.3981	1.1254	1.2022	0.8078	0.2508	0.3499	1.0372	2.0229	1.4806	0.9464	1.4953	0.9901	2.0122	0.9793	1.2243	1.1909	0.3687	1.9936	0.9019	0.1771	0.6208	0.0869	1.0439	1.0139	1.3862	1.4952	0.6266	0.4592	1.8762	1.6325	0.5867	1.0124	1.0077	0.4478	0.3657	0.9702	0.9046	0.9375	1.0616	0.2920	2.7096	3.3116	1.9014	2.5462	1.8938	2.0920	1.1335	0.6693	0.3421	1.9114	2.5087	1.0211	0.5762	1.8231	0.4460	0.5171	0.5773	3.2194	0.1873	0.5796	1.9560	0.2446	0.1749	0.3839	0.2690	1.2657
oleate/vaccenate (18:1)	Oleic acid	1.2976	1.2883	0.9595	1.1532	1.3410	0.9816	1.4955	1.4221	0.9599	1.0481	0.8169	0.9261	1.0963	1.3057	1.0177	1.3288	1.0930	1.3349	0.7536	1.1977	1.5562	1.0762	1.5738	1.2182	1.2711	1.0330	0.4541	0.7620	1.0036	1.0937	1.4473	0.9597	1.1339	1.5085	1.7098	0.5135	0.7245	0.5720	1.0130	1.3504	0.5530	1.0420	1.6164	0.6425	0.9440	0.7636	0.8877	0.3600	1.0776	0.8703	1.0887	1.0746	0.7078	1.1736	1.0747	0.8097	1.1652	0.9125	1	0.8837	0.8774	0.7674	0.8947	0.7399	0.9392	0.9406	0.8261	1.0054	0.7951	0.4163	0.8956	0.5252	0.8731	0.8383	0.9241
oleoyl-arachidonoyl-glycerol (18:1/20:4) [1]*	DG 18:1_20:4	0.9372	0.9511	1.1571	0.8384	1.0397	1.2712	1.3930	0.6666	1.1034	0.6921	1.0645	1.0338	0.9883	0.4323	1	0.7839	0.8209	1.9793	0.9637	0.7531	0.6849	1.1545	0.9778	1.2690	0.8528	1.8913	1.0634	1.6710	1.1571	0.6602	3.2456	0.7120	1.0912	0.7962	0.9596	0.5547	0.9074	0.7943	0.8372	0.8908	1.4411	1.0928	1.0865	0.7130	0.8300	1.0355	1.0637	0.5821	0.9777	1.4104	3.0285	1.9054	0.8058	0.9324	1.8806	2.1124	0.9053	1.0847	1.4739	1.3163	2.3471	1.0090	0.8117	2.3853	1.3053	0.8694	0.5027	1.4522	0.7676	0.7378	1.5947	1.0606	1.0059	0.7701	0.9397
oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]*	DG 18:1_20:4	0.9117	0.9994	1.0884	0.7440	1.0095	1.4588	1.2601	0.6228	1.1204	0.6406	0.9639	1.3146	0.8206	0.3894	1.0261	0.7365	0.6917	2.0535	0.9224	0.8875	0.6750	1.1873	0.8644	1.2890	0.7693	2.2725	1.0345	2.3352	1.6313	0.6369	3.2383	0.5511	1	0.7339	1.0021	0.5137	0.8651	1.1327	0.7656	0.8994	1.4051	1.0960	1.0991	0.7115	0.7773	1.2050	0.9746	0.5208	1.1950	1.2179	3.5649	2.3205	0.7194	0.8416	1.9411	2.4925	0.8784	1.1899	2.0335	1.4825	2.5917	0.9619	0.7747	2.1855	1.3004	0.7294	0.4000	1.2743	0.8327	0.7285	1.5552	1.1335	1.0864	0.7923	0.8317
oleoylcarnitine (C18:1)	CAR 18:1	0.7167	1.0211	0.8562	0.8164	0.9685	0.7342	0.9548	1.2814	0.8904	0.9066	0.7376	0.8304	1	1.2035	1.4788	0.9948	1.0144	1.3193	0.8850	1.0553	1.2179	0.9841	1.1484	0.8333	0.9053	0.7123	0.4944	0.7522	0.8807	0.6756	0.9855	1.2778	1.2999	1.5039	1.6489	0.8526	0.7106	0.5004	1.1126	0.8788	0.5298	0.7601	1.2427	0.7990	1.3043	1.4600	1.0199	1.0378	1.3474	1.0923	1.2946	0.9951	1.0029	1.4854	1.6176	0.9737	1.1275	1.4891	0.9521	1.4984	0.9891	1.0904	0.9271	1.3800	1.4139	0.9447	0.8568	1.1829	1.3432	0.6235	0.8152	1.2108	1.2870	1.0496	1.2695
oleoylcholine	Oleoylcholine	0.5834	0.2850	1.2711	0.7092	0.6540	1.7991	1.4311	1.0010	1.9702	1.3932	1.1319	0.8028	1.2621	0.8877	1.4336	1.1675	0.4386	0.8565	0.2464	3.8519	2.3183	2.0584	1.1191	1.2049	0.4549	0.3023	0.8965	1.4734	0.0967	1.1056	0.6968	1.0522	1.1204	0.4389	0.3943	0.6193	1.4896	1.2559	2.2912	0.3662	0.8290	1.0689	1.9153	0.1763	0.4977	1.9782	1.8085	0.8410	1.0860	1.3872	0.6074	0.8076	2.3517	1.5768	1.5957	1.1744	1.1831	0.0982	0.2833	1.2844	1	0.2981	0.7357	1.6730	0.9937	0.6747	1.2155	0.6105	1.5392	0.1494	0.6310	0.7035	0.2436	0.1696	0.3220
oleoyl ethanolamide	Oleoyl-EA	0.8597	0.7430	1.2172	1.1027	1.4267	1.1739	1.7904	0.4564	1.0245	1.2938	0.8722	0.9835	1.1205	0.5418	1.6293	1.0152	0.9555	1.4783	1.1353	0.9665	1.1076	0.7611	1.0315	0.7352	1.0532	1.0400	0.6448	0.7664	1.0598	1.0116	1.2304	0.6174	0.8864	0.8028	1.5052	0.8387	0.5618	0.6994	1	1.1654	0.6825	0.4004	0.9115	0.4701	0.8463	0.8061	0.8676	0.6035	1.1449	1.0545	1.0664	1.2699	0.9280	1.4782	1.1733	0.8089	0.4286	1.2727	1.6359	1.1712	1.3515	1.0663	0.8055	1.3141	0.8430	0.7790	1.1488	1.3203	0.4427	0.7671	0.7011	0.9387	1.1566	1.0907	0.5824
oleoyl-linolenoyl-glycerol (18:1/18:3) [2]*	DG 18:1_18:3	1.7185	1.8921	2.7375	0.8255	1.3009	0.2504	0.9235	0.9619	1.0522	0.4368	0.5459	3.3473	0.9477	0.5894	0.8594	0.3178	0.8264	0.7107	1.3809	0.7848	0.7021	1.2295	0.4309	0.7366	0.2504	0.2504	1.7004	1.8744	4.5910	0.2504	2.7414	0.2504	0.6369	0.4601	1.4196	0.3932	0.8592	2.3935	0.3857	1.3018	0.2504	1	1.0425	1.1883	1.3896	3.2352	3.8673	0.2504	4.5503	3.8380	3.9286	0.7349	1.1189	0.9193	0.2504	1.4750	1.5712	0.3755	0.7873	1.1280	1.3416	0.2504	0.6190	1.5533	0.4659	2.8967	0.9360	0.7732	0.2504	3.0684	0.8289	2.9170	0.2504	0.5898	0.4273
oleoyl-linoleoyl-glycerol (18:1/18:2) [1]	DG 18:1_18:2	1.5895	1.6042	2.3149	0.4356	0.8218	0.7328	1.0189	0.9468	0.9884	0.6040	0.8009	1.6467	1.4122	0.6455	0.8196	0.4918	0.8243	1.2942	0.8853	0.9324	0.9456	1	0.5408	0.7155	0.7507	1.1332	0.4231	2.0314	1.4837	0.4441	4.1338	0.4471	0.8309	0.8892	0.7587	0.6136	0.8251	1.2893	0.8200	1.1011	0.9782	1.0385	1.0501	0.9400	1.1054	1.4499	2.0179	1.0442	2.7796	1.6043	3.5177	1.6587	0.9557	1.0588	1.4927	1.5845	0.8668	1.3582	1.2796	1.4356	1.5757	0.5469	0.7449	1.4552	1.2446	1.8342	0.8624	1.2470	0.5672	1.1544	1.2580	0.8226	1.0238	0.4440	0.8755
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]	DG 18:1_18:2	1.6811	1.8206	2.3173	0.5402	0.8315	0.8072	1.1119	0.9661	1.0886	0.6887	0.8394	1.6878	1.2691	0.6505	0.9723	0.6049	0.8033	1.3882	1.0708	0.9503	0.8553	0.9488	0.5722	0.7192	0.7104	1.4737	0.4831	2.3805	1.6580	0.4487	4.3529	0.4385	0.8021	0.7609	0.8139	0.6122	0.7145	1.4285	0.7285	1.0899	0.9559	1.1689	1.0700	0.8914	1.1532	1.4841	2.2794	0.9885	2.7738	1.4650	4.0346	1.7743	0.8195	1	1.4560	2.0169	0.9432	1.5218	1.8414	1.6970	1.7335	0.5114	0.7034	1.4292	1.2842	1.6495	0.7282	1.1191	0.5213	1.1028	1.3007	0.9759	1.0220	0.4686	0.8369
oleoyl-oleoyl-glycerol (18:1/18:1) [1]*	DG 18:1_18:1	1.7883	1.4221	2.1415	0.5163	0.8781	0.3567	1.0135	0.7026	1.2912	0.3639	0.3531	1.8459	1.0064	0.3911	1.1385	0.4459	0.5544	1.7318	0.7071	0.9884	1.1764	0.9262	0.4625	0.6594	0.5360	1.2997	0.3828	2.1734	1.6630	0.0768	5.1753	0.0768	0.8756	0.5847	0.8926	0.8064	1.2937	1.2218	0.6391	1.0225	0.5453	0.9740	1.0657	0.5612	1.3543	1.3364	2.7410	0.6604	2.9378	1.6373	3.9236	1.4884	0.7519	0.7749	1.4331	2.7458	0.7055	1	1.9450	1.7913	1.9702	0.0768	0.7860	1.7529	1.3763	1.7390	0.9174	1.2346	0.6811	0.6211	1.7613	0.8800	0.8375	0.3083	1.3067
oleoyl-oleoyl-glycerol (18:1/18:1) [2]*	DG 18:1_18:1	1.7165	1.4842	1.9125	0.6123	0.9845	0.3490	1.1261	0.7053	1.2628	0.3959	0.5003	2.0792	0.8575	0.4503	1.0570	0.6534	0.6688	1.7951	0.7932	0.9581	0.7854	1.1517	0.5095	0.6170	0.5466	1.4454	0.4381	1.6758	1.6176	0.2585	4.2647	0.2541	1.0289	0.5165	0.9863	0.7157	1.4479	1	0.7736	1.1004	0.4928	0.9717	0.9091	0.5992	1.4936	1.2544	2.7467	0.7067	2.7875	1.5333	4.2408	1.4882	0.7651	0.7476	1.5418	2.2507	0.6966	1.0383	2.1571	1.7552	1.6132	0.2945	0.9092	1.7876	1.1542	1.6382	0.8454	1.3089	0.6302	0.6594	1.5971	1.0840	1.0023	0.2965	1.2164
O-methylcatechol sulfate		0.2121	0.4227	3.7341	0.2207	0.6655	1.1770	1.1302	0.3997	0.2169	2.4769	0.5675	0.5373	0.4803	3.2627	1.6869	1.4059	1	2.1539	0.2383	0.5725	3.4301	0.6208	0.9438	0.5742	0.7274	0.2153	0.2145	2.4064	0.2231	1.6502	0.5468	0.3356	0.3270	0.2306	0.5859	2.5809	0.9645	1.7209	1.0042	0.5297	0.3072	2.0474	1.0947	1.2713	0.4918	2.1251	1.5279	1.7556	0.6580	1.1453	0.4146	2.1016	0.8700	0.5428	0.4591	2.6937	1.0812	5.3471	1.1314	0.0594	0.7982	0.3545	0.9812	1.0538	12.2995	1.2942	4.5874	1.6549	0.9446	1.3431	1.3407	1.0102	2.9571	2.6070	1.2756
ornithine	Ornithine	0.6111	0.6954	0.9291	0.9529	0.7872	0.9321	0.7363	1.1058	0.7765	1.2237	0.8446	1.1433	0.9024	1.0888	0.9641	1.2812	1.0262	1.1278	0.7341	0.8850	0.9328	0.7790	0.9285	0.6413	0.6225	0.5851	1.0273	1.0582	1.0228	0.8987	1.0633	0.9141	1.0599	0.5647	1.0386	1.3690	0.6588	0.5990	1.0878	0.7520	0.7835	0.7752	0.9403	1.2016	1.1128	1.2079	1.1176	1.1784	0.9893	1	0.8672	1.1804	0.9560	1.4837	1.4426	1.0804	1.0983	1.7262	0.8682	1.3155	0.9535	0.9000	1.0370	1.1653	1.6470	1.2790	1.0677	1.2157	0.7904	1.4177	0.8946	1.2023	1.2393	0.9573	1.1886
orotate	Orotic acid	0.8388	1.2014	0.9394	0.7243	0.9304	0.8691	1.4863	0.9510	1.1378	0.9420	1.0415	0.9903	0.9482	0.8329	1.0913	1.0457	1.0530	0.9556	0.5619	0.8041	1.8096	1.2541	1.2763	1.1788	1.3481	0.6897	0.8056	0.9515	0.4407	1.1225	1.0638	0.8503	1.6770	1.5016	0.7683	0.7353	0.5290	0.9040	1.1457	0.6325	1.3992	0.5941	1.4863	0.9889	0.8488	1.7850	1.1732	1.0953	1.5684	1.1766	1.7706	1.0538	1.3345	1.0742	1.5110	0.7873	0.8999	0.7021	0.7734	1.2118	0.7919	1.0556	0.9321	1.2582	0.9570	1.2880	1.0097	1.2988	0.8549	0.5712	0.5376	0.4407	1.0219	0.7454	1.1746
orotidine	Orotidine	0.6674	0.8457	1.0700	0.5868	0.8297	0.4635	1.6800	0.3373	1.2756	1.3418	1.0360	0.6557	1.0489	1.0600	1.2244	0.8510	0.7143	0.7044	0.5187	0.8601	1.1271	0.8175	0.6283	1.1056	0.7702	0.3373	0.8033	0.8615	0.8766	0.9454	1.0729	0.5732	0.5445	0.6597	1.2539	1.0983	0.8851	1.0593	1.0292	0.6076	0.8779	0.8835	0.7132	1.3593	0.7827	1.9854	1.6231	1.8820	1.2603	1.0100	1.3053	1.0917	1.1794	1.3226	1.2529	1.0818	0.7129	1.8691	1.2780	1.0436	0.4797	0.8533	0.9900	1.1213	1.5124	0.9838	0.5665	1.1074	0.9598	1.0665	0.9409	1.0484	1.1034	0.8402	1.3951
O-sulfo-L-tyrosine	Sulfotyrosine	0.7054	1.0741	1.0289	0.7123	0.9085	1.0501	0.9119	0.6317	0.9554	0.9168	1.0064	0.9390	0.8651	0.9031	0.8439	0.9118	0.9045	1.3444	0.9856	1.2183	0.8285	0.9167	0.9686	0.7547	0.9226	0.5202	1.0067	1.0328	0.7157	0.8941	0.8387	0.8057	1.2701	0.6776	0.9667	1.0159	1.1111	1.2355	1.2492	0.9133	0.6243	1.2029	0.8241	1.3399	0.9919	1.1764	1.3032	1.6833	1.3264	1.1275	1.5422	1.0839	1.1815	1.5123	1.2000	1.1404	1.3434	1.1691	0.9237	1.2845	0.8135	1.0530	1.1972	1.0881	0.8356	1.1931	0.8846	1	1.0153	1.4828	0.9505	0.9676	1.3665	0.8553	1.1879
oxalate (ethanedioate)	Oxalic acid	0.8256	1.0102	1.3964	0.9212	0.9934	1.2782	0.9511	1.1328	1.1863	1.3791	1.1569	0.6724	1.3991	1.2258	0.7243	0.7148	0.7127	1.1643	0.9130	1.2372	1.3195	0.9240	1.1210	1.0421	0.8675	1.0592	0.5333	0.8373	1.0115	0.9466	0.8728	1.1029	0.8296	1.0669	1.1928	1.1637	1.1813	0.8050	0.6143	1.1027	1.2306	1.3812	1.5963	1.0997	0.5618	1.1499	0.7856	1.0207	0.9708	0.9195	1	0.8470	1.2312	1.1013	0.4015	0.8223	1.1052	0.6801	0.8045	0.4197	0.5949	0.8889	1.0879	0.9856	1.1800	1.5364	1.4202	0.9224	1.1867	0.4638	0.5495	0.6438	0.5668	0.7832	1.0488
palmitate (16:0)	Palmitic acid	1.2720	1.2470	1.0891	1	1.3425	1.0535	1.5678	1.3028	1.0334	0.8213	0.8902	0.8434	1.0678	1.0824	0.9985	1.3770	1.1562	1.4271	0.8535	1.3393	1.2321	1.1478	1.5177	1.3683	1.3786	1.1890	0.5744	0.9157	0.9812	1.1764	1.6940	0.9108	1.1375	1.2790	1.8186	0.3940	0.7017	0.5768	1.1026	1.3244	0.6409	0.8031	1.5972	0.7371	0.9258	0.7926	0.9411	0.3958	1.1186	0.7816	1.0995	1.0922	0.7684	1.4488	1.3212	0.9418	1.1058	0.9002	1.0398	0.9691	0.9418	0.7933	0.8125	0.7037	0.6736	0.8533	0.4797	1.0585	0.6973	0.4903	0.9513	0.4847	0.8475	0.8232	1.1337
palmitic amide	Palmitamide	0.0589	0.6772	1.0342	0.8956	0.4970	0.7541	2.6427	1.6167	2.2472	1.3371	1.1364	1.3501	0.8884	0.3120	0.3442	1.0396	1.9265	1.5438	1	1.6630	1.1654	1.8538	0.8655	1.0545	1.1434	0.3809	1.9696	0.8972	0.2277	0.6493	0.1122	1.1886	0.8974	1.2887	1.4298	0.6365	0.5051	1.9102	1.7716	0.6180	0.9982	0.9501	0.4521	0.4117	0.9608	0.9689	1.0304	1.1944	0.3176	2.5320	3.2166	1.8534	2.3971	1.9072	2.2230	1.1418	0.7861	0.3981	2.0183	2.5509	1.0552	0.5900	1.7539	0.4650	0.5439	0.6132	3.1288	0.2092	0.6514	2.0353	0.2496	0.2164	0.4297	0.3205	1.2376
palmitoleate (16:1n7)	Palmitoleic acid	2.1796	1.6582	1.1430	1.2185	2.0876	0.8527	1.3613	1.0675	1.5600	1.1188	0.4749	1.2993	1.9829	1.5531	0.6654	1.6518	1.5476	1.7635	0.5526	1.6691	2.2491	1	1.4591	1.2754	1.8647	1.3780	0.2432	0.5390	0.9417	2.1762	1.6140	1.0092	1.0272	1.4953	4.3236	0.1760	0.5522	0.4528	1.8566	1.4663	0.3022	1.0760	3.2793	0.4737	1.0855	0.5334	0.6827	0.1265	1.0007	0.5922	1.3587	1.2237	0.8310	1.2168	1.0024	0.7369	0.7366	0.7805	0.9943	0.8946	0.3822	0.5296	0.7786	0.5165	0.2865	0.3025	0.1691	0.9700	0.4060	0.1653	0.5492	0.2506	0.6570	0.5190	0.6917
palmitoleoyl-arachidonoyl-glycerol (16:1/20:4) [2]*	DG 16:1_20:4	0.3320	0.7465	1.2930	0.6845	0.7750	1.6335	0.9689	0.5342	0.8090	1.1736	0.9241	1.2891	1.3613	0.1353	1.1979	0.4945	0.9559	1.7870	1.1067	0.4231	1.6981	0.4607	0.9429	1.1863	0.5524	1	1.0952	3.4091	0.1353	0.9310	4.9360	0.5327	0.7145	0.3151	0.3131	0.3968	0.5394	1.0584	0.8885	0.4305	2.1868	1.7458	0.5717	1.1936	0.4383	1.9802	0.9470	0.1353	1.9629	0.1353	2.9280	3.3918	0.5314	0.1353	1.5575	2.1432	1.5054	1.8029	1.1122	0.1353	1.8207	0.9416	0.8375	4.0975	1.5161	1.3635	0.2115	1.0964	0.4154	1.8091	1.1501	1.2923	0.1353	0.3972	0.6320
palmitoleoylcarnitine (C16:1)*	CAR 16:1	0.9877	1.1712	0.7304	0.7804	1.1637	0.7710	0.9285	1.3923	1.0086	1.1165	0.6618	0.8840	1.6884	1.0955	0.9808	0.7694	1.0063	1.1957	0.6852	1.3089	1.1436	1.0350	1.1698	0.8292	0.9256	0.9353	0.3657	0.5498	0.6647	0.8272	1.0997	1.5435	1.0416	1.9611	2.0927	0.3373	0.5444	0.3345	1.3364	0.9045	0.4362	0.7901	1.5300	0.6430	1.5247	1.1310	0.7318	0.6220	1.1910	0.9209	1.3898	0.9620	1.0371	1.2029	1.1999	0.8673	1.0226	1.2748	1.0557	1.2459	0.6182	1.0524	0.8450	1	0.8354	0.7320	0.3990	1.0737	1.2627	0.4374	0.6408	0.8166	1.1857	1.5474	1.0559
palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]*	DG 16:1_18:2	2.7606	1.9113	3.0062	0.2562	0.9850	0.4018	0.8156	0.5909	1.0012	0.4025	0.4321	3.6678	2.1218	0.1412	0.3048	0.0561	1.4795	1.2725	1	0.1147	0.7128	0.5565	0.4315	0.7694	0.6122	1.0151	0.0561	4.2294	1.4095	0.0561	12.0320	0.1511	0.5186	0.0561	0.6987	0.0561	0.7881	1.0418	1.0512	0.7459	0.0561	1.2049	1.3008	0.5890	1.7610	1.1258	2.4544	0.2645	4.0974	1.5169	4.2613	2.2525	0.4717	0.6122	1.3751	2.6930	0.7117	0.5285	1.5745	1.4466	1.4899	0.0561	0.5231	1.7722	0.0561	0.5907	0.0561	1.6703	0.0561	0.7043	1.2244	0.2187	0.6054	0.0561	1.0812
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [1]*	DG 16:0_20:4	0.5295	0.3946	0.4218	0.6274	1.7661	0.5045	1.3162	0.1867	0.3242	0.5100	0.2636	0.1867	0.9388	0.2594	0.3999	0.5809	0.3833	0.1867	0.5115	0.1867	0.1867	2.1882	0.4221	3.5974	1.4190	1.6422	1.7674	1.4342	0.1867	1.1453	3.0788	1.1998	1.1620	1.3993	1.1537	0.1867	1.3822	0.8727	0.2943	0.9847	1.7756	0.1867	0.6684	0.3481	0.4383	0.1867	1.1601	0.1867	0.1867	0.1867	0.1867	0.1867	1.0618	1.6456	0.7781	2.1719	1.0176	0.1867	1.0153	1.0840	2.3334	1.2003	0.6475	0.1867	0.1867	0.1867	0.1867	0.9843	0.9676	0.1867	0.7972	0.1867	0.1867	1.3084	1.3390
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [2]*	DG 16:0_20:4	0.7685	1.1106	0.7339	0.4310	1.3508	0.8927	1.2355	0.6642	1.3496	0.4163	0.7185	1.2001	0.5968	0.2092	0.9066	0.9069	0.6279	1.1355	0.9318	1.2289	0.6245	1.5090	0.8193	1.8806	1.1884	3.8082	1.2268	5.2892	1.4781	0.5294	5.3628	0.4559	1.0480	1.0077	1.1025	0.2092	0.7932	1.0005	0.7760	0.9611	1.4431	0.2092	1.0629	0.3933	0.7788	0.5258	1.0298	0.2092	0.9995	1.1960	2.5625	2.1834	0.9373	1.1480	2.0871	4.6713	0.5160	0.7391	2.3521	3.0316	3.7960	0.7768	0.8030	1.0540	0.5817	0.5150	0.2092	1.2275	0.2617	0.8284	2.2634	0.2092	0.5943	0.9419	1.3815
palmitoylcarnitine (C16)	CAR 16:0	0.6711	0.9753	0.9675	0.8051	0.9648	0.8319	0.9553	1.0642	1.0304	0.7923	0.8473	0.8417	0.9594	0.9640	1.1916	1.0236	1.1343	1.3626	0.8925	1.0720	0.8379	1.1446	1.0504	0.9680	1.1198	0.7950	0.7401	0.9926	0.8237	0.7695	1.2474	1.0484	1.1983	0.9914	1.5997	0.5008	0.6038	0.4746	1	0.8141	0.7144	0.7623	1.1638	0.9731	1.4186	1.4878	1.0056	0.8249	1.3709	0.9802	1.5431	1.2006	1.2188	1.5825	1.9485	1.2621	1.1309	1.4083	0.9938	1.7914	0.9651	1.2148	1.0090	1.2843	1.0058	0.8808	0.3593	1.2790	1.3433	0.8272	0.8729	0.9937	1.1897	1.1660	1.7599
palmitoylcholine	Palmitoylcholine	0.6171	0.3539	1.4574	0.7264	0.6550	2.0003	1.3666	0.9183	1.9091	1.3895	1.3672	0.7521	1.3292	0.8604	1.3659	1.0698	0.4540	0.7717	0.3064	3.7851	1.7891	2.1109	1.1033	1.4138	0.6183	0.3763	0.9760	1.6324	0.1051	1.3226	1	1.0728	1.2057	0.5692	0.4286	0.4700	1.2231	1.2909	2.1182	0.3893	1.0566	1.0112	1.7780	0.2025	0.4682	2.0436	1.9808	0.8401	1.0901	1.3500	0.7087	0.8321	2.3243	1.8132	1.6070	1.2531	1.1644	0.1359	0.3553	1.5234	1.1722	0.3162	0.6439	1.4105	0.7541	0.6725	0.8087	0.6854	1.2635	0.2436	0.5526	0.7238	0.2689	0.1868	0.3061
palmitoyl dihydrosphingomyelin (d18:0/16:0)*	SM 18:0;O2/16:0	1.0964	1.1873	1.0780	0.9948	1.1178	1.2980	1.1255	1.0731	1.0407	1.0300	1.5201	0.7366	0.8589	1.2684	1.4418	1.4619	0.8904	0.9883	1.2347	1.0532	1.0513	1.1297	1.2101	0.9708	0.9456	1.2037	0.7762	0.8594	0.8539	1.2699	0.7894	1.1529	1.1384	0.9435	1.3795	1.3411	0.9532	1.0459	0.9382	1.0855	1.2088	1.3729	1.2897	0.8327	0.8118	0.8825	1.0193	0.8651	0.9821	0.7297	0.7601	0.8422	0.9349	0.8584	0.8097	1.1179	0.9973	1	1.0832	1.3467	0.9830	0.7507	1.3509	1.1726	1.2363	0.7983	0.9022	0.9352	0.9850	0.7700	1.2272	0.9559	0.7736	0.9022	0.7129
palmitoyl ethanolamide	Palmitoyl-EA	0.8665	0.8724	1.5645	0.9936	1.3249	1.3016	1.8890	0.3338	1.0348	0.8637	0.9829	1.0382	0.9400	0.3903	1.3914	1.1771	0.9346	1.3408	1.0029	0.7949	0.8591	0.9533	0.7209	0.7270	1.1074	0.9879	0.9565	0.9341	1.0207	1.1577	1.3129	0.4709	0.8684	0.4953	1.2177	0.7847	0.7098	0.7505	1.0097	0.8970	0.8149	0.3017	0.6611	0.8642	1.1021	1.0063	1.1015	0.7531	1.0688	1.0184	1.1414	1.0001	1.0904	1.7782	1.6381	1.2601	0.3866	1.3131	1.4843	1.1690	1.3073	1.1448	0.9315	1.2521	0.7964	1	0.7333	1.3566	0.3435	1.0755	0.7354	0.9515	1.2136	1.0265	0.7378
palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]*	DG 16:0_18:2	1.3744	1.4878	2.3585	0.2990	1.0212	0.7326	0.9187	0.7613	1.4719	0.6021	0.6350	1.6310	0.3570	0.5073	0.5913	0.3158	0.8434	1.3985	0.9047	1.0338	0.2036	1.1232	0.5500	1.0139	1.0129	1.4742	0.5328	3.4691	1.2698	0.4086	6.4691	0.4084	0.7891	0.9697	0.8091	0.2965	0.8343	1.2857	0.9524	0.9530	0.7922	0.7413	0.9871	1.0494	1.1325	1.1157	2.2236	0.6349	2.4640	1.2844	3.5539	1.4693	1.1758	1.3643	2.0598	2.3424	0.6772	1.3294	1.6435	2.0243	1.9887	0.4385	0.7238	1.0582	0.7588	1.2238	0.2888	0.5188	0.5240	1.2606	1.4940	0.6143	0.2036	0.3699	1.3170
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]*	DG 16:0_18:2	1.2755	1.9830	2.7080	0.3298	1.0681	0.8741	1.0369	0.8599	1.2110	0.6072	0.6405	1.2640	1.0896	0.5397	0.8768	0.6100	0.9699	1.6371	1.1573	1.1766	0.5539	1.1498	0.6338	1	0.9828	2.0691	0.6263	3.9804	1.6558	0.4007	5.9940	0.4505	0.8404	0.8046	0.9410	0.3716	0.9284	1.5024	0.9266	1.0804	0.8747	0.8575	0.8332	0.9552	1.3378	1.2891	2.6792	0.6512	2.7775	1.2533	4.3091	1.7066	0.8389	1.1915	1.8894	3.2782	0.7855	1.3589	2.5641	2.3679	2.2557	0.5015	0.7360	0.9367	0.8675	1.1573	0.3016	1.1245	0.4306	1.2393	1.6603	0.5703	0.8139	0.4696	1.2598
palmitoyl-oleoyl-glycerol (16:0/18:1) [2]*	DG 16:0_18:1	1.5000	1.2850	2.4099	0.3660	1.3138	0.4394	0.8286	0.4794	1.5377	0.3542	0.5894	2.1029	1.1904	0.2425	1.0168	0.7359	0.7946	1.9920	0.9541	0.9421	0.6228	1.1938	0.4221	0.9609	0.9913	2.1992	0.6140	3.3837	1.3332	0.1949	7.7336	0.1949	1.0521	0.5608	1.0087	0.5246	1.5723	1.4053	1.1124	1.0473	0.6246	0.5710	0.8493	0.6225	1.5631	0.9796	3.1268	0.3746	2.4692	1.4013	4.2384	1.5678	0.9076	0.9168	2.1422	4.2168	0.5060	1.2604	3.1390	2.6831	2.3637	0.2721	0.8914	1.4370	0.9537	1.1559	0.4418	1.5117	0.4457	0.8099	2.0808	0.7417	0.7481	0.3458	2.1928
palmitoyl sphingomyelin (d18:1/16:0)	SM 18:1;O2/16:0	0.9000	1.0521	0.9309	1.1051	0.9857	1.1021	1.0870	1.0704	1.1311	1.1116	1.1499	0.9848	0.8729	1.1238	1.1743	1.2016	0.9476	0.9509	1.1142	1.0075	0.9232	1.0545	1.0164	1.0019	1.0332	1.1214	1.0533	0.8958	0.8671	1.0948	0.8812	1.0301	1.1405	0.8799	0.9750	1.0086	0.9401	0.8471	0.9182	0.9876	1.1150	1.1349	1.1508	0.9221	0.9889	1.0823	1.0120	0.9298	0.9531	0.8655	0.8677	0.9487	0.9391	1.0003	1.0030	1.0728	0.9669	1.0556	1.1556	1.1916	1	0.8223	1.2060	1.0056	0.9007	0.9686	0.8711	0.9284	0.9386	0.9831	0.9997	0.9648	0.9071	1.0019	0.8184
pantothenate	Pantothenic acid	1.1257	1.0553	1.2653	0.8415	1.5465	0.9989	1.0938	0.7290	2.0061	0.8329	0.5575	0.8167	3.2643	0.9394	0.6947	0.9474	0.8178	1.0339	0.7386	1.1118	1.1839	0.6948	2.1984	0.8102	0.7810	0.4636	0.5005	1.2612	1.0232	0.7426	1.5319	0.7912	0.8147	0.5254	0.9705	1.1176	1.2095	0.9140	0.6438	1.0321	1.1024	1.1968	0.7648	0.9150	0.8165	1.0952	1.7412	0.9022	1.0828	0.6492	1.5836	0.9307	0.7738	0.9071	0.7595	1.1773	1.1734	1.0426	0.8104	1.2597	0.5783	1.2052	2.2325	1.0352	0.5892	1.0185	1.2978	1.4504	1.5985	1.4802	1.1272	0.9088	1	1.4283	0.8988
paraxanthine	Paraxanthine	0.9410	1.0492	0.6321	0.6657	0.6554	0.3106	0.0871	0.0871	0.3628	2.2059	1.2127	0.0871	0.9404	1.5189	0.7974	2.5362	0.4835	0.8490	1.3732	1.0776	2.9915	0.0871	3.1667	1.0834	1	0.3631	0.1787	0.8335	0.0871	1.1625	0.0871	0.4251	0.2980	0.2492	8.0628	0.3588	1.2484	1.4963	2.1872	4.4359	0.0871	0.0871	0.1560	0.0871	1.2931	0.5843	0.7375	0.0871	0.0871	0.0871	0.0871	0.0871	1.8752	0.4221	3.3276	1.9105	6.9627	6.2310	1.1940	0.0871	0.0871	0.4057	0.2406	0.6841	4.8042	0.6797	2.0241	3.1225	0.2390	6.9353	8.3845	0.0871	0.0871	0.0871	0.2308
p-cresol-glucuronide*	P-Cresol glucuronide	0.5531	0.5833	0.5828	0.1044	1.4994	0.7626	0.1044	0.1044	0.1155	13.6332	9.9674	1.3565	10.8982	0.1880	0.8520	0.2546	0.3872	3.7709	3.5464	2.5365	0.2549	3.1023	0.4260	0.4841	2.2721	2.2626	3.2534	0.1044	0.5010	0.4739	0.5912	0.2351	0.2752	2.9673	0.1089	0.2515	0.5822	1.1845	2.1512	0.3475	0.4289	1.3645	1.0930	9.8870	1.3467	1.5624	0.3990	2.4914	1.0513	1.3154	2.2587	0.5937	1.1626	2.5310	1.6454	1.0136	0.1044	0.1044	1.7917	0.7991	0.5184	0.2110	0.6863	4.2611	0.1044	0.3117	0.7530	1.9097	2.4979	8.0519	0.1044	0.7959	0.5509	1.2219	0.9864
p-cresol sulfate	p-Cresol sulfate	0.6094	0.5984	0.7238	0.2887	1.4881	1.7320	0.2211	0.2486	0.5535	3.2352	2.0756	1.0048	0.2419	0.7615	0.9726	0.8003	0.6902	2.0644	1.8393	1.7555	0.7041	1.4912	0.7775	1.0345	0.9558	0.8906	2.0161	0.1964	0.7896	1.0217	0.8071	0.6257	0.4488	1.0315	0.3103	0.6585	0.8949	1.1147	1.1890	0.3729	1.4425	1.3150	1.0094	2.4932	0.8513	2.0042	1.0678	2.1550	0.5782	1.5063	1.3986	1	1.3460	1.2652	1.1806	1.4056	0.0176	0.0470	1.6143	0.8557	0.7199	0.3519	1.0393	1.5653	0.3731	0.3345	2.2710	1.6702	2.0860	3.2893	0.2354	0.9748	0.8661	1.2250	1.1179
pentadecanoate (15:0)	Pentadecylic acid	0.9967	1.3579	1.2612	1.3044	1.3719	0.8628	1.5761	1.1324	1.1157	0.6020	0.9836	0.9979	1.0266	1.3392	0.8010	1.5228	1.0057	1.7853	0.8677	1.8644	1.1257	1.0811	1.3430	1.1117	1.3206	0.9580	0.7201	0.6867	1.1279	1.5112	1.4252	0.7978	1.0583	0.9119	1.3685	0.5976	0.7926	0.6306	0.9196	1.1534	0.7811	1.0172	1.7909	0.8213	0.8622	0.9310	1.0281	0.5993	1.2147	0.9177	1.0002	1.2537	0.8386	1.2870	1.1799	1.0548	0.9152	1.0487	0.9414	0.6842	1	0.9345	1.1019	0.7735	0.6165	0.8858	0.4878	1.0771	0.7050	0.6687	0.8592	0.6614	0.9846	0.9406	1.2550
perfluorooctanesulfonic acid (PFOS)	Perfluorooctanesulfonic acid	1.0136	0.5159	0.5319	0.4882	1.6350	1.3552	1.1404	1.5263	1.6759	1.5985	0.3573	0.7109	0.8086	0.5982	0.1045	1.5083	0.5922	0.9304	1.0703	1.4795	1.4611	0.7776	1.4944	0.9447	1.1647	0.5108	1	1.0005	2.0251	0.4475	0.7756	0.3203	0.9732	1.2222	0.9283	0.3939	1.3070	1.4036	0.4227	1.0173	0.7892	0.8054	0.5374	1.0628	0.8379	1.0974	2.3674	0.8507	1.7969	1.8617	1.8349	0.8738	1.9338	1.4683	0.1767	0.7427	0.5816	1.2375	0.9062	1.2091	0.5458	0.9341	0.9010	0.7019	0.9808	1.3788	0.9045	1.5494	1.8448	1.2032	1.6023	1.0702	0.6322	1.3093	1.2126
phenol sulfate	Phenyl hydrogen sulfate	1.6416	1	1.6782	0.8492	0.7400	1.2302	1.1823	0.9745	0.7062	1.7269	0.8305	1.8748	0.1158	2.4807	0.6539	1.3102	0.6958	0.9345	0.5934	0.7754	1.9360	1.8088	1.0007	1.0650	1.5140	1.1613	0.6262	0.6589	1.0893	0.7110	1.0340	0.6177	1.2098	0.5749	0.7790	1.5501	0.4975	0.6865	0.8587	2.5943	0.8977	1.4760	0.5813	0.8843	1.2945	1.0680	1.3600	1.0453	2.3065	0.8241	1.2020	1.0766	0.7910	2.0726	0.3642	2.3599	2.2809	1.6229	0.8166	0.9402	0.5376	0.6395	1.1062	6.3281	2.0695	2.4235	4.6475	0.8005	0.6820	0.8102	0.2300	0.7470	0.9856	2.0505	0.5654
phenylacetate	Phenyl acetate	0.4227	0.4227	0.9497	0.4227	0.4227	1.2725	0.4227	0.4227	0.6978	2.8241	2.9332	0.5434	0.4227	0.4227	0.4227	0.6166	0.5539	1.4638	1.3152	0.9924	0.8507	0.9752	0.4227	2.1183	0.7719	1.6084	3.9363	0.4227	0.7316	0.4227	0.7026	0.4956	0.4227	1.3514	0.4227	1.0105	0.4227	1.5643	0.4797	0.4227	1.0382	0.6286	1.0598	2.9452	0.4859	1.2381	0.9317	1.0076	0.4227	0.6996	0.4227	1.8475	1.4077	1.2690	0.4227	0.7326	0.4227	0.4227	0.8677	0.8728	1.0794	0.6701	0.6750	2.2393	0.7273	0.4227	1.8008	1.0735	1.5992	2.1067	0.4227	0.9266	0.6136	1.9017	0.4227
phenylacetylcarnitine		0.4387	0.4604	1	0.5479	1.1895	0.9923	0.0881	0.0881	0.3102	2.7562	1.3826	1.5598	0.3926	0.0881	0.3678	0.0996	0.6912	1.7047	3.1187	0.8737	0.7418	1.5681	1.1058	3.5323	1.3293	1.5227	1.9873	0.1122	1.1156	0.5802	0.4646	0.2735	0.1256	1.9691	0.0881	2.0814	0.5202	1.7068	0.3645	0.3932	1.4104	0.5594	0.3925	7.1666	1.4084	1.4363	1.5545	2.7864	1.1947	0.5189	0.3826	0.3988	0.8574	1.0779	0.9375	1.1761	0.1577	0.0881	1.8581	1.0061	0.7728	0.8973	0.4749	4.7823	0.6023	0.2418	1.5802	2.4502	1.3363	2.1441	0.6240	1.2804	2.2685	4.4211	0.6754
phenylacetylglutamate	N-Phenylacetylglutamic acid	0.9474	2.1702	1.4289	0.2894	1.1825	0.9306	0.2894	0.2894	0.3423	3.2217	3.4461	1.9878	0.8617	0.3108	0.8450	0.2894	0.6948	2.4503	1	1.6189	0.7021	1.3137	2.4323	0.9463	0.6078	0.9222	1.5639	0.2894	1.6970	0.8332	0.8137	0.5063	0.5211	0.9378	0.2894	1.1176	1.1925	1.3401	0.6001	0.8952	1.3110	0.6550	1.0276	4.6715	0.9153	2.4366	2.0161	1.6022	0.7820	1.3129	1.8495	0.5157	1.0932	1.0989	0.5441	1.7185	0.2894	0.2894	0.8696	0.2894	1.1921	0.2894	0.5816	2.0287	0.3622	0.3854	2.3238	1.6389	0.8328	1.7314	0.2894	0.5660	0.5325	2.1378	0.4862
phenylacetylglutamine	alpha-N-Phenylacetylglutamine	0.6001	1.6069	1.5123	0.5705	1.0881	0.7910	0.1461	0.1304	0.4514	3.3037	2.7436	1.3679	0.9226	0.2891	1.0516	0.4424	0.7531	2.0959	1.3199	1.3064	0.6007	1.3495	1.5696	1.0705	0.7723	0.9289	1.8515	0.1701	1.0604	0.6403	0.7730	0.4513	0.7055	0.8617	0.2460	1.4443	0.8550	1.4927	0.9976	0.6217	1.2122	0.6872	0.7243	2.7766	1.0308	1.5346	1.7633	1.8031	0.5999	1.2858	1.3580	0.8342	1.2370	1.1745	1.0942	1.6976	0.1441	0.2096	1.4126	0.6665	1.0844	0.4238	0.8607	2.1800	0.8830	0.6594	2.0977	1.6633	1.6357	2.1183	0.2413	0.8060	1	1.7132	0.6344
phenylalanine	Phenylalanine	0.8186	0.8657	0.9458	0.9060	0.9367	0.8488	1.1258	0.9797	1.1362	0.9715	0.8864	0.9739	0.9922	0.8163	0.7234	0.9579	0.7523	0.9699	0.8338	1.0687	0.9666	0.9511	0.9490	0.9997	1.0271	0.9244	1.0128	1.0302	0.9948	1.1156	1.0072	0.8572	0.9294	0.7063	0.8216	0.9776	0.9130	0.8761	1.1759	0.9953	0.9369	1.0102	0.8640	0.9826	1.1271	1.0143	1.0950	1.1304	1.2588	1.2956	1.0159	1.0058	1.1626	1	1.1487	1.1853	1.0366	1.0515	1.1124	1.0461	0.9019	1.1064	1.1551	0.9752	0.9651	1.0385	1.1229	1.0387	1.0702	1.1123	1.0538	1.0823	1.0739	1.0206	1.0967
phenyllactate (PLA)	Phenyllactic acid	0.5137	0.6307	0.8491	0.5687	0.7130	0.8132	1	0.8525	1.2044	1.3847	0.7047	0.6039	1.0803	0.6287	0.5006	1.0572	0.4493	0.8960	0.5083	1.7301	1.0310	0.9736	0.8714	0.7004	0.7619	0.5500	0.5593	0.8708	1.1464	1.0138	1.1493	0.5917	0.8958	0.8521	0.8003	0.9539	0.8578	1.0085	1.1840	1.6830	1.4287	1.5650	0.6197	0.7614	1.7115	1.2816	1.3291	1.9101	1.1623	1.4881	0.9942	1.2419	1.1392	0.8862	1.0489	1.1362	1.0034	0.9621	0.9485	1.7376	1.1083	1.1232	1.3480	1.0859	1.6039	1.3156	2.3295	0.8810	1.4591	1.1643	1.1810	0.8883	0.9402	0.9468	1.8573
phenylpyruvate	Phenylpyruvic acid	0.6760	0.7702	0.8557	0.6619	1.0340	0.5924	1.1188	0.6406	1.2945	1.0116	0.7170	1.1434	0.8805	0.7593	0.5534	0.6803	0.5657	0.6512	0.8980	1.5856	0.9435	0.9527	0.9543	1.2456	1.1569	0.7443	1.2191	1.2456	0.8823	1.5557	1	0.5821	0.6165	0.5905	0.3789	0.9992	0.9868	1.2072	0.6959	0.8856	1.9907	1.2561	0.5698	1.3258	1.2763	1.2145	1.6626	1.4122	1.3208	1.4453	0.9407	1.0490	1.4302	0.5230	0.8111	1.2922	0.6448	0.6201	1.0977	1.5351	0.8437	1.3445	1.7333	1.0402	0.9161	1.2672	1.9047	0.9651	0.8565	1.3100	1.4513	1.3222	1.4728	1.2887	1.5151
phosphate	Phosphoric acid	0.8592	1.0020	1.2077	1.2547	1.0012	1.0789	0.9073	0.8505	1.0578	1.0858	0.8235	0.7715	0.9010	1.1408	1.0091	1.0295	0.9232	0.9763	0.8377	0.9468	0.9264	1.1300	0.8479	1.0919	1.0582	1.0849	1.0485	0.9955	1.2448	1.1780	1.0105	0.9482	1.0417	0.8805	1	1.2996	0.9139	1.1138	0.8510	1.0757	1.0769	1.2183	0.9236	1.0952	1.1808	0.9524	0.8589	1.0171	0.8112	0.7472	0.8859	1.1410	1.0551	0.9750	0.9508	0.8020	0.8159	0.7919	0.9287	0.7372	1.0042	0.9254	1.1369	0.9256	1.0775	0.9662	1.0712	0.8907	1.3056	1.1378	1.1737	1.0235	0.9618	0.9548	0.9353
phosphoethanolamine	Phosphoethanolamine	0.6960	1.1111	1.4143	0.7352	1.0001	1.0430	1.1612	1.2101	1.2010	0.7263	1.0335	0.9355	1.1073	1.0354	1.5443	1.6393	0.9495	1.1053	0.5178	1.2220	1.4004	1.1282	0.7254	1.4138	0.9610	0.7367	0.7796	0.5604	0.8429	1.0131	1.5382	0.6015	0.5604	0.9251	0.8533	1.3106	0.7506	1	0.7654	0.7983	1.5034	1.1120	1.3580	1.1912	0.7393	1.0352	1.3456	1.0868	1.0390	0.9262	0.7082	1.3102	0.6579	0.5459	1.4369	1.1053	0.8373	0.4155	0.8924	1.2143	0.6521	1.3160	1.2922	1.1630	0.8739	1.0822	0.9482	0.8975	0.8779	0.7766	0.9168	0.8119	1.2971	0.7961	0.9570
phytanate	Phytanic acid	0.9702	1.5378	1.4144	1.2158	1.6700	0.7697	0.8383	1.0260	1.6802	0.4860	1.1400	0.3629	1.0356	1.2050	0.5217	1.3843	0.8652	3.7274	1.2306	1.8730	0.7888	2.7147	1.2582	0.7775	0.7548	0.6393	1.7944	0.3982	0.8267	1.5006	0.4784	0.6153	1.1159	0.5145	2.9702	0.8252	1.1257	0.6069	0.7446	1.1768	0.7742	0.5588	0.5909	1.7736	2.0118	1.2236	0.9735	1.1214	0.8106	0.8776	0.5459	1	0.9935	1.6219	1.2471	1.1034	0.7943	1.0748	0.6255	0.6845	1.0537	2.2319	2.2359	0.8508	0.7542	1.4921	0.5490	1.1383	0.9237	0.6238	0.5969	1.2692	0.8793	2.4369	1.6041
picolinate	Picolinic acid	0.9021	0.3856	0.9081	0.6208	0.7185	1.8058	0.9646	0.6080	1.1269	0.5821	0.3856	0.5747	0.9039	0.7648	0.5676	1.6831	0.5107	1.6086	0.5128	0.8864	1.2034	0.8147	0.7427	1.4280	0.8666	0.9935	1.5268	1.0177	0.4717	0.9636	1.0072	0.7521	0.6425	1.7223	0.9343	1.0222	1.0507	1.6067	1.4803	1.3287	0.7657	0.6839	0.7701	0.9538	1.4295	0.8769	1.1866	0.8316	1.0316	0.7214	0.4641	2.0598	1.5842	1.4501	1.2933	1.3744	1.0065	0.6122	1.2005	0.9415	0.6738	3.2974	1.1977	1.6778	1.5325	0.9264	1.5936	1.1975	1.6434	1.6252	1.4917	1.0867	0.9853	2.0698	1.6799
pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC)	CAR DC7:0	1.0469	1.2817	1.2574	0.4236	0.6588	0.7489	0.4857	1.6653	1.3463	2.7867	1.4679	0.2016	1.0390	1.8832	2.7484	1.2261	1.2053	0.8654	1.2267	1.6302	1.1290	0.8376	0.5701	0.7966	0.7853	0.5829	0.7235	0.3226	0.7194	0.9322	0.7258	0.6060	1.6200	0.8771	1.9799	0.9698	1.2475	0.9050	0.5769	0.8317	1.1739	0.6443	0.5441	1.7199	1.0150	2.4140	1.1621	1.9584	0.2651	1.1341	0.2016	0.7804	0.9850	1.6699	0.7511	0.6401	0.2562	2.1238	0.8623	0.2016	0.2016	0.5052	1.9914	1.5096	18.7050	0.3831	2.7890	1.0821	0.7866	1.6950	0.3258	1.2407	1.4450	0.9585	1.4509
pipecolate	Pipecolic acid	1.4225	0.7135	1.4332	0.4673	0.4157	0.6032	0.6523	1.3947	1.1758	1.2424	0.5751	4.9434	0.6336	1.2537	1.3288	6.7184	0.4867	1.0140	1.2006	10.9970	5.4953	0.7823	2.0517	0.4504	0.3352	1.9025	0.9127	1.0350	1.0269	0.6052	0.7515	0.5047	1.2540	1.3209	3.9863	0.6837	2.0981	1.4340	2.6720	2.3896	0.8520	0.7705	1.4308	3.1116	0.4822	1	3.1853	0.7857	0.5217	1.1222	1.2130	0.7592	2.9916	1.0042	0.5974	1.1351	0.5321	0.9942	0.5884	0.7963	0.2923	1.3805	0.8907	0.9040	0.7890	0.4002	1.1567	2.1651	0.9608	1.0034	1.0852	0.9354	0.6627	0.5247	0.7843
piperine	Piperine	0.6026	1.6891	0.9108	0.2998	4.7644	1.5862	4.0650	6.5866	0.4202	0.0325	2.3761	0.2818	0.1705	1.8380	0.7279	3.3489	1.4894	1.3201	2.4931	0.2372	0.1885	0.8514	0.3518	0.7331	0.9427	0.3525	1.9858	0.7776	0.6790	0.9269	2.0110	1.7054	2.5383	0.2252	6.4747	12.7552	1.0425	0.5156	6.9047	1.6752	0.0270	8.1101	0.3969	0.8550	0.5099	1.2697	1.2513	0.4246	0.6674	0.0471	0.5635	0.3212	9.5186	0.4526	3.3426	2.5079	2.0812	0.9001	1.0947	0.8840	2.4879	6.5900	0.6360	6.9209	3.0070	5.1208	0.0147	3.8432	2.3598	1.8496	1.9692	0.5042	0.3160	0.0828	1
pregnanediol-3-glucuronide	Pregnanediol-3-glucuronide	1.0552	1	0.8708	0.4742	8.3425	0.9129	2.2708	0.8382	1.4577	0.9507	1.5954	0.2029	2.7639	0.7386	4.4177	1.2763	2.7245	10.0529	4.1729	1.3524	11.2237	1.4548	6.0838	6.6251	0.2781	24.8858	0.8923	3.8588	1.8351	1.6961	1.4221	1.2100	2.9923	0.8960	0.5761	0.4319	0.3893	0.9760	4.9658	1.0222	6.0835	0.9449	0.8865	0.9823	0.8249	2.7175	1.3011	1.1345	1.1109	0.7715	0.6684	1.3675	1.2496	0.8592	0.4544	0.3691	0.4239	0.8748	0.6709	0.7170	0.4820	0.4079	2.0049	0.2572	1.3214	0.8670	0.6143	1.7353	1.0572	0.7235	0.1167	0.8758	2.3104	0.5939	0.5255
pregnanolone/allopregnanolone sulfate	3alpha-Hydroxy-5beta-pregnane-20-one	0.5874	0.6685	0.6930	0.2226	14.5575	0.7537	1.2249	0.2226	0.2226	0.2226	0.5462	0.2226	2.1810	0.2226	2.4747	0.2226	1.2168	5.3445	2.9638	1	7.2536	0.2226	3.8649	5.4958	0.2226	29.2463	0.6296	5.1360	0.6053	0.6265	3.2057	0.2226	1.8378	0.4725	0.2226	0.2226	0.2226	0.7227	3.2266	0.6518	3.7920	0.2226	0.2226	0.9410	0.3094	0.7599	0.2226	1.4675	1.0711	0.2226	0.2226	0.7611	0.2226	0.2226	0.2226	0.2226	0.4458	0.3192	0.2226	0.2226	0.2226	0.5393	2.0728	0.2226	0.2226	0.2226	0.2226	0.9991	1.4855	0.7849	0.2226	0.4599	1.1686	0.2226	1.2771
pregnen-diol disulfate*		1.0144	1.1702	1.2629	0.7950	0.9220	1.5481	0.9660	0.8787	0.6138	0.1985	0.3991	0.4139	1.5333	1.1262	0.6002	0.6872	1.4264	0.8965	0.8249	0.9882	0.9652	0.7432	0.8590	1.7353	0.6999	1.1743	0.6254	0.5146	0.6460	0.6267	0.7417	0.8750	1.5047	0.5151	1.0651	0.6744	0.5417	0.2504	2.0065	1.2416	0.9738	1.0028	1.0538	1.4060	1.2530	1.5744	1.9138	1.3907	1.2996	1.2667	0.9499	1.1081	0.8653	1.6758	0.9074	0.5724	1.0014	0.4557	1.1381	2.0662	1.1305	1.1288	1.5692	0.6670	1.5440	1.1001	0.7742	1.1578	1.3859	1	0.6028	1.0865	1.5209	1.6007	0.6244
pregnenolone sulfate	Pregnenolone sulfate	0.6730	1.3128	1.1583	0.6034	1.1578	1.0893	0.9979	0.5390	0.8702	0.1606	0.4324	0.0874	2.8789	1.2574	0.5614	0.5367	1.9225	0.8557	0.7891	2.3010	2.4486	1.1633	0.6543	1	0.0874	3.4164	0.7236	0.6807	1.3486	0.7661	0.6101	0.4311	1.2984	0.5048	0.5379	0.4086	0.4670	0.7947	1.5200	1.0005	0.9651	0.7208	1.7993	1.2657	1.4622	2.5547	1.5502	1.2111	1.1110	1.1890	0.4867	1.1542	0.5275	1.2832	0.5503	0.5105	0.5167	0.5043	0.5575	1.4657	1.3264	0.9586	4.0678	0.2512	1.4502	1.1158	1.0012	1.3427	1.5684	1.1057	0.0874	1.0920	2.1537	0.9938	0.7446
pregn steroid monosulfate*	Pregnenolone sulfate	0.7895	0.7898	1.1305	0.6874	1.3042	1.2862	1.3368	0.7820	0.8093	0.2585	0.4019	0.3533	2.2427	0.7912	0.5540	0.4937	2.3083	1.0100	0.9870	0.9839	1.5005	0.9000	0.7187	1.0015	0.4348	1.2633	0.8211	0.7276	0.9815	0.8775	0.8499	0.6057	1.3537	0.4538	0.5037	0.6812	0.4263	0.3782	1.3285	1	0.7533	1.1300	0.8158	1.7809	1.9271	2.1877	2.5786	1.5947	2.2607	1.6021	1.0273	1.1614	0.8861	1.6004	0.7714	0.7104	0.9621	0.8473	1.2639	1.3539	1.0479	0.9038	3.3880	0.5887	1.0877	1.4532	1.4604	1.5589	1.5841	1.4359	0.3197	1.2167	2.1919	2.1324	1.2242
pristanate	Pristanic acid	0.2367	0.8465	1.6067	1.2341	1.2312	0.9041	0.9969	0.6291	1.4072	0.2367	1.4748	0.2367	1.0075	0.7867	0.3563	1.3270	0.8310	3.3268	1.2588	1.7132	0.6504	1.0403	0.5319	0.2367	0.2367	0.6257	1.5531	0.2367	0.2367	0.2367	0.3794	0.8766	0.9018	0.2367	2.3319	0.2367	0.9509	1.1879	0.9445	1.0741	1.0277	0.5941	0.4730	1.8377	0.9586	1.2203	0.6133	0.8460	0.9495	0.9365	0.2367	1.9562	1.4726	1.7312	0.8213	1.2515	0.2367	1.4097	0.4103	0.7502	0.2682	1.2149	1.8435	0.6256	0.9261	1.1732	0.7553	1.0994	1	1.3008	0.2367	1.3149	0.8028	1.2825	1.2744
pro-hydroxy-pro	Pro-hydroxyPro	0.8483	1.5752	1.1234	0.9489	0.8665	0.8672	1.0012	0.8021	1.7301	1.7342	0.9090	0.7601	0.9988	0.5703	1.9573	0.7373	1.0975	0.7890	0.7477	1.1861	1.2356	0.9222	0.7572	0.8226	1.2380	1.3154	0.5948	0.9684	1.1987	1.4381	0.6991	0.6305	0.8829	0.5233	1.3695	1.3324	0.9271	0.7498	0.8966	1.0366	0.7301	2.1563	0.7129	0.9663	2.3601	1.2281	1.5117	2.1124	1.2550	1.4392	1.7379	1.5569	0.9706	1.3583	1.3699	1.4033	0.8035	0.9373	1.7098	0.7745	0.9501	0.8225	2.7146	0.9389	1.2923	1.3846	0.9023	0.5233	1.9442	1.5820	0.6258	0.9657	1.6639	2.2209	1.1536
proline	Proline	0.8049	0.7907	0.8266	0.8487	0.7873	1.0218	0.9332	0.9981	0.9172	1.0437	1.0443	1.1025	1.3191	0.7649	0.8103	1.2083	1	0.9861	0.8873	0.9194	0.9616	0.8953	0.8955	0.6708	0.7354	0.8122	1.1538	0.9766	0.7489	1.2131	0.9819	0.7656	1.0834	0.6610	1.0925	0.8149	0.7724	0.6981	0.9634	0.9016	1.0638	0.8919	0.9160	1.1611	0.9780	1.1836	1.0475	1.0591	1.3211	1.0968	0.9167	1.2946	1.2593	1.0489	1.2273	1.8549	1.0555	1.1595	1.2720	0.9202	1.0892	1.0525	1.0284	2.3880	1.0626	1.6116	1.1105	0.8666	0.7906	1.5722	1.0433	1.0264	1.1643	0.9623	1.4542
prolylglycine	Pro-Gly	0.6312	1.3644	0.6433	0.8618	0.8555	0.9001	0.7948	0.9646	1.1826	0.9729	0.8295	1.0994	0.9105	0.8243	1.1036	1.0283	1.0140	0.2531	0.6492	0.8789	1.4604	0.9782	0.5498	0.6433	0.7845	0.4195	1.4674	0.9362	0.6807	0.7172	1.0644	0.4730	0.6845	0.2531	1.1239	0.9086	0.7962	1.5477	1.1620	1.0118	0.3885	1.5188	0.6969	0.9569	1.1517	2.7264	1.6175	1.1347	1.1763	1.4912	2.0698	1.3394	1.4448	1.7452	0.9159	2.7621	0.9481	0.9748	1.5154	1.6310	0.7867	1.2191	1.0433	1.2473	1.0283	1.1264	3.4256	0.5934	1.2077	1.8881	0.4537	0.9746	1.2557	0.9882	2.0862
propionylcarnitine (C3)	CAR 3:0	0.6181	0.5951	0.5857	0.7647	0.8605	1.3105	0.8977	0.7685	1.0277	1.1263	1.3512	1.0943	0.5726	0.6746	0.7120	0.6832	1.1311	0.8519	1.3241	0.8235	0.6930	0.9011	0.4426	1.1016	0.7485	0.5674	0.8837	1.1484	0.8340	1.2219	1	0.7218	0.7032	0.6148	0.2401	1.1487	0.6865	0.8630	0.8210	0.8074	0.8987	0.7318	0.4425	2.4141	1.0279	1.0742	1.6955	1.6869	2.4521	0.8059	1.5910	0.9323	1.6959	1.2748	1.3885	1.4833	0.9455	0.9259	1.7676	1.2751	1.2216	1.6794	0.9269	1.5325	1.2123	0.8007	1.0710	1.0080	1.1910	1.7683	1.0884	1.5533	3.3495	1.8717	1.7969
propionylglycine	Propionylglycine	0.5966	0.3307	1.5161	0.7175	1.8831	2.2467	0.8892	1.0016	0.8420	3.9432	4.1215	0.8199	0.3973	0.3012	0.8721	0.9468	0.8939	0.3012	1.9287	0.3012	0.7250	0.3012	0.5197	0.3012	0.3012	0.3012	0.7452	1.6112	1.1248	1.0871	1.0687	0.3012	1.0541	0.3012	0.3012	1.0795	0.7579	0.9670	0.3012	0.7685	0.8881	0.6181	0.8655	2.4009	0.7018	0.8052	1.9575	1.1772	0.9386	1.7112	1.3691	1.8526	0.8020	0.3012	1.1503	1.1859	0.3012	0.5607	0.9634	0.8328	0.9984	0.3012	1.5448	1.0030	1.9698	1.2178	3.1660	0.7294	3.0232	1.3407	0.4302	0.8976	2.3958	2.1850	1.9229
propyl 4-hydroxybenzoate sulfate		2.8403	0.0737	0.9360	0.5456	1.2142	0.0737	3.1526	1.2516	2.2534	0.6101	0.6593	0.5641	0.0737	0.0737	1.1000	9.0799	6.6896	0.3099	0.2693	0.0737	0.9449	6.8520	0.1973	0.0737	0.0737	6.4928	7.8760	1.4316	0.1271	0.7734	0.5139	16.1976	0.0737	0.1884	0.0737	1.5921	1.5953	0.4928	0.3788	1.7207	0.1745	0.0737	0.0737	3.1311	0.0737	8.5114	0.0737	0.0737	0.0737	0.0737	0.0737	0.0737	0.1123	1	0.6899	0.0737	0.0737	0.0737	0.0737	1.7104	0.1029	2.9855	0.0737	0.0737	0.0737	0.0737	1.3652	0.0737	0.1526	0.0737	0.4701	1.6129	0.0737	0.0737	0.0737
pseudouridine	Pseudouridine	0.8262	1.3387	1.1553	0.8008	1.0096	0.9521	1.2346	0.7718	1.0588	1.1132	1.0859	0.8800	1.0024	0.8444	1.0655	0.9416	0.8564	1.0322	0.8890	1.2785	1.0299	0.7812	0.9623	0.9462	0.8501	0.7460	0.6995	1.0546	0.9927	0.8534	0.9685	0.8049	1.0081	0.7774	0.9765	1.1536	1	0.9483	0.9174	0.9782	0.7814	1.0190	1.1080	0.8906	0.9976	1.1569	1.2643	1.4339	1.2152	1.1079	1.1962	0.9890	1.0708	1.1708	0.8772	1.0508	0.8895	1.3108	1.1103	1.0518	0.8885	0.9429	1.1034	1.0283	1.1679	1.0095	1.0896	1.0945	0.8910	1.0672	0.8599	0.9789	0.9333	0.9245	1.1129
pyridoxal	Pyridoxal	1.2732	0.4784	2.0610	0.8164	0.9363	0.8141	1.5609	1.1771	1.0005	0.6601	0.4231	0.2089	4.2266	0.8795	1.8087	1.6255	1.0609	0.2089	0.4405	0.2453	1.6780	0.4443	1.3518	0.2089	0.8766	1.6386	0.5689	1.7622	0.7136	1.0049	1.5310	0.4452	1.1454	0.9950	1.7368	0.5947	2.1704	0.7081	0.9801	1.0875	1.0453	1.5897	0.9187	0.8059	3.4989	0.2089	0.3489	0.2898	1.9764	0.2089	1.1119	1.0746	1.2159	0.6045	0.5413	0.2089	0.2089	0.9766	0.2655	0.7747	0.7224	1.2891	1.5698	1.1938	0.7597	0.4564	0.8672	2.7562	8.5946	0.9995	1.2336	0.8770	1.2780	2.2393	0.2089
pyridoxate	4-Pyridoxic acid	0.7825	0.6834	1.3530	0.4591	0.8455	1.2259	1.8019	0.5717	1.2062	1.1155	0.7081	0.4416	2.9644	0.6642	0.6630	1.3825	0.6108	1.0006	0.4918	0.5638	0.9578	0.7671	0.9806	0.4936	0.9417	0.7218	0.4630	1.4833	1.8028	1.0076	1.2338	0.7003	0.8712	0.6863	0.7547	0.7294	1.1407	1.0863	0.6616	1.0590	0.6601	1.5820	0.4503	1.0455	1.2158	1.0014	1.0721	1.7944	1.4235	1.0559	1.6600	0.9468	2.2101	0.9534	0.5341	0.7072	1.0378	1.2677	0.5810	1	0.7899	1.2175	2.3198	1.1891	1.2571	0.7840	1.5876	1.3850	5.8703	0.9732	1.0593	1.0797	0.6893	1.7731	0.7452
pyroglutamine*	Pyroglutamine	0.2871	2.2773	0.8788	0.4551	0.4158	0.8237	1.3970	0.4041	1	1.8829	0.6141	0.5050	1.1461	0.5960	0.4108	0.2583	0.4152	0.6535	0.4386	2.2988	0.6553	0.2587	1.5734	0.7647	0.3740	0.3095	0.3798	0.4735	0.6243	0.3112	0.3174	0.3390	1.7427	0.4042	0.9842	0.7073	0.7602	1.4312	0.7536	1.2583	0.3749	1.2173	1.2835	0.3723	2.0370	2.1177	2.4496	2.5759	2.2092	1.1448	1.0651	0.9973	1.2922	1.7890	1.8773	1.2744	1.6677	2.3167	2.0577	0.9239	1.7349	1.3665	1.2051	1.3635	1.4781	1.8262	1.7041	0.6644	1.4018	1.1655	0.3895	1.3833	1.5236	0.9192	1.5644
pyrraline	Pyrraline	0.5710	0.5410	0.7596	1.0481	0.3125	1.7643	1.6206	1	0.4663	1.8652	1.8531	3.7291	0.5918	1.2040	2.0703	2.0201	0.4991	0.3555	0.2759	1.1271	1.2867	0.8999	1.9114	0.2102	0.2102	1.0047	0.5005	1.4196	0.9606	1.2377	0.9436	0.2102	1.7618	0.2102	0.2102	2.7317	1.2655	3.7582	0.4898	0.3659	0.2576	0.6441	0.2102	3.1116	0.5027	0.2102	0.4911	1.2814	1.2067	0.9728	0.3141	0.7448	0.5526	0.8482	1.4744	3.0854	0.5107	0.6733	2.9894	0.2102	0.3976	0.6768	1.7241	1.1068	3.5851	3.4802	4.9405	0.2470	0.5405	1.4002	0.2102	0.5158	1.2543	1.1046	0.9653
pyruvate	Pyruvic acid	0.8960	1.0380	1.0648	0.7956	0.8694	0.9190	1.0661	0.9961	1.0586	0.8168	0.9075	0.9723	0.8744	0.8522	0.7683	0.8915	1.0718	1.1877	1.0740	1.0788	0.9023	0.8407	1.0976	1.0097	0.9758	0.8077	0.9424	1.3791	1.1096	1	1.3961	0.7663	0.8721	0.7856	0.9264	1.1172	0.9150	1.2613	0.7521	0.9672	0.9194	0.8931	1.0193	1.2740	0.8873	1.0973	1.0566	1.1163	1.0581	1.0775	0.8711	1.0251	0.8434	1.1095	1.1318	1.4363	0.8221	1.2963	0.9781	1.1708	1.4289	1.0569	0.9607	1.0525	0.8089	1.1632	0.9734	0.9569	0.7700	1.2147	1.5382	1.2296	1.3483	0.8617	1.1212
quetiapine	Quetiapine	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
quinate	Quinic acid	0.1115	0.9959	0.7379	0.6328	1.4171	0.8202	0.2188	0.1984	0.0586	10.3790	3.8417	0.2739	0.1613	0.2153	8.2163	1.0140	1.5302	0.7126	0.3770	5.0461	12.3143	0.0445	18.9224	6.5882	0.1933	0.1666	0.0450	10.5873	0.8515	4.6869	0.0316	0.3673	1.0041	0.1385	2.6372	5.2459	1.8087	3.3903	4.2895	2.3022	0.0316	0.7120	0.2978	0.5176	0.1151	8.5468	1.1654	0.2045	0.0316	0.2226	0.1548	3.0436	8.0680	0.0893	3.6129	5.0583	17.5704	25.5491	1.3626	0.0316	0.0964	0.1496	7.4760	0.4144	18.2782	1.4360	11.5077	7.5076	0.1658	0.6235	11.8304	5.3815	0.1013	7.9425	0.4683
quinine	Quinine	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550	1.6450	0.3550	0.3550	0.3550	0.3550	0.3550	0.3550
quinolinate	Quinolinic acid	0.7120	0.5336	1.1258	0.7848	1.5450	1.4621	1.4530	0.4251	1.1371	1.1989	1.3532	1.0452	0.7522	0.4527	1.1010	0.9655	0.7682	0.8392	0.6158	1.2043	0.7804	0.7420	0.9495	1.7017	1.0684	0.8517	0.8155	1.2330	0.6390	1.2591	1.3137	1.1042	0.6648	0.5388	0.7372	0.4248	0.8045	1.1840	1.0627	0.5977	0.5906	0.9984	1.1299	0.7935	0.6435	0.6853	1	1.7572	1.1398	0.8109	0.9080	1.0358	0.7723	1.1440	1.0332	1.6479	0.6748	1.1640	1.5361	1.3078	0.7792	0.8420	0.9406	1.1149	1.3988	0.9007	1.1561	1.0114	1.0387	1.2626	1.0677	0.8799	0.8256	1.3147	1.8844
retinal	Retinal	2.7704	2.7757	1.0869	0.6351	0.8016	1.0940	0.2569	0.2227	0.5416	0.8130	0.5981	0.9567	1	1.3652	1.0694	0.8477	0.4899	2.0980	0.6901	1.0572	0.9926	0.8145	0.7907	1.1076	1.0830	0.9083	0.5711	1.4371	2.4619	0.9737	2.2386	0.2307	0.8796	0.4587	0.7033	2.3081	1.1642	1.5728	0.7233	1.6811	1.1734	0.7777	0.8142	1.0183	1.3970	2.0522	1.4928	1.5837	1.2417	0.6968	1.1818	1.0371	0.9808	0.4489	0.2227	1.7082	0.9670	1.9976	0.4136	0.2227	0.3759	1.0907	0.3198	1.2814	1.0726	1.4156	0.6019	0.9673	1.6898	0.9214	1.4824	2.0668	0.5352	0.7803	1.3597
retinol (Vitamin A)	Retinol	1.2806	1.4335	1.1100	0.7376	0.8780	1.0074	0.7203	0.8186	1.1967	0.9120	0.8529	0.6416	0.7963	0.6578	0.6031	1.0114	0.5595	1.2758	0.7469	1.2914	1.0579	0.8890	0.9692	1	0.9017	0.7832	0.7826	1.3053	1.4179	0.9835	1.0956	0.6487	0.8822	0.9554	0.8522	1.3070	1.3952	1.5392	0.8959	1.1346	1.0846	1.1083	0.9122	0.8692	1.0668	1.5597	1.8907	1.2905	0.8031	0.9838	1.4855	0.9520	1.4918	0.9380	0.6634	1.6283	1.0208	0.9642	1.0020	1.4728	0.6499	0.9094	1.0632	1.1826	1.0233	1.2635	1.0410	1.2424	0.9727	1.0310	0.9519	1.4279	1.0422	0.9775	0.9905
ribitol	Ribitol	0.7224	0.9556	1.1527	0.9511	0.9189	1.1143	1.0920	0.8903	1.2040	1.2931	1.0381	1.0002	0.7565	0.9071	0.9499	0.9129	1.0016	1.1052	1.2991	0.9493	1.4545	0.6600	0.7346	0.8556	1.0423	1.0205	0.8424	1.2113	0.9127	1.0133	1.2821	0.7356	0.8563	0.8557	0.9973	1.0967	1.2397	1.1389	1.0966	0.8723	0.9629	0.9947	0.9806	1.7981	0.8761	1.0220	1.0001	1.0296	1.5085	1.0978	1	1.0958	0.9852	0.9733	1.0710	1.4152	0.8964	0.7486	1.1679	0.9101	0.9493	1.0566	0.9376	1.1363	0.9471	1.0132	0.9303	1.0187	0.9446	1.0919	1.1503	0.9982	0.9869	0.9964	1.4190
ribonate	Ribonic acid	0.6662	1.2743	0.9776	0.7011	0.5908	1.1738	1.3020	0.9837	1.2875	1.2849	0.8690	0.9703	1.0147	0.9271	0.7553	0.5256	0.5683	0.9152	0.7930	1.1418	1.3998	1.1602	1.0586	0.9312	0.5936	0.6016	0.8434	1.1958	0.8234	1.6449	1.0425	0.8168	1.9111	0.8007	0.7007	0.9052	1.6061	0.7772	1.0763	1.2109	1.3145	1.1890	1.2753	1.0235	0.5749	1.1339	1.5921	1.0646	1.1313	0.7957	1.3020	1.1660	0.8210	1.1472	0.9277	1.0457	1.0759	0.8631	0.5936	1.1438	0.7573	1.1859	0.8529	1.3695	0.8540	1.2906	1.4380	0.8633	1.3061	0.5374	1	0.7313	0.8392	1.1034	0.9140
ribose	Ribose	0.3656	1.7118	0.1380	0.1380	0.1380	0.1380	0.9591	0.1380	0.7582	0.1380	0.8469	0.1380	0.4953	0.1380	0.5427	0.9162	0.1380	0.1380	0.1380	0.1380	2.1787	0.9050	0.1380	0.1380	1.8289	0.7171	1.2806	0.1380	0.1380	1.2716	2.1339	0.1380	1.9336	0.1380	0.1380	0.1380	1.7424	0.1380	0.1380	1.3961	0.1380	0.9726	0.7763	0.6866	0.1380	0.5216	0.5525	0.1380	1.3175	1.4328	0.1380	0.1380	0.1380	0.1380	0.1380	0.1380	0.8296	0.1380	0.1380	0.1380	0.1380	1.1433	0.1380	2.0265	0.1380	3.7684	0.1380	0.1380	1.5635	0.1380	1.0274	0.1380	0.1380	0.5785	1.4773
S-1-pyrroline-5-carboxylate	1-Pyrroline-5-carboxylic acid	1.1095	0.9360	0.8912	0.8420	0.6184	1.1661	0.7592	0.9244	1.1416	1.2635	0.7960	0.8070	1.4332	1.0507	0.7000	0.8854	0.9368	0.9799	0.9916	1.1139	0.8560	0.7365	0.8518	0.8286	0.7486	0.8697	1.0394	1.2558	1.1484	0.9450	0.8625	0.7045	0.8610	0.5137	0.9731	1.0215	1.0125	0.5454	1.0470	0.9819	1.4860	0.8457	0.8200	1.3009	1.2848	1.1921	0.9514	1.2166	1.5478	1.0449	1.2294	1.0463	1.0983	0.9519	0.7794	2.4797	1.2978	0.7328	1.2840	1.1978	1.9626	1.8907	0.9505	1.7009	1.5058	1.5972	1.5489	0.6452	1	1.1178	0.9928	0.7823	1.3041	1.3749	1.6803
saccharin	Saccharin	0.4230	0.4230	0.4230	0.4230	0.4230	0.4230	0.4230	0.4725	0.4230	0.6816	1.0347	0.4230	0.4230	0.4230	0.4230	0.4230	0.4230	0.4230	0.4230	0.4230	0.4230	0.4230	0.4230	0.4230	0.4230	0.4230	0.4230	0.4230	0.4230	1.9336	0.4230	0.4230	0.4230	0.4230	0.4230	0.4230	0.4230	0.4230	0.4230	0.4230	0.4230	0.4230	0.4230	0.4230	0.4230	0.4230	2.3767	0.4230	0.4230	0.4810	0.4230	0.4230	0.9779	0.4230	1.0394	0.4230	1.0221	9.6693	0.4230	0.4230	0.4230	0.4230	0.4230	0.4230	0.4230	0.4230	0.4230	0.4230	0.8265	0.4230	0.4230	0.4230	0.4230	0.4230	0.4230
S-adenosylhomocysteine (SAH)	S-Adenosylhomocysteine	0.6025	0.7129	1.7748	0.4811	0.4811	1.0660	1.6285	0.9630	1.1580	1.1652	1.0217	0.6968	0.4811	1.4317	1.5329	0.7113	0.9502	0.8912	0.7800	1.2733	0.8518	0.9072	0.6333	0.4811	0.8918	1.1344	0.9472	0.8343	1.8129	0.7121	1.7068	0.5949	1.5636	0.4811	0.7802	2.3279	0.5460	1.1266	1.2920	0.5264	0.8885	1.3539	0.6179	1.6927	0.8778	1.3610	1.3475	1.3815	1.1362	1.2424	1.1733	0.7365	1.4294	0.9710	1.3098	1.2166	0.7837	2.9388	1.5562	1.2634	0.7784	0.8594	1.1810	0.7816	1.4856	1.1106	0.9972	0.4811	0.4811	1.0028	0.8312	0.4811	0.8807	0.9203	0.8592
salicylate	Salicylic acid	1.7288	0.2214	0.6799	0.4578	1.2646	1.8249	1.0722	0.5811	0.7214	0.4935	1.0479	0.4355	0.6417	2.0840	2.8136	2.4557	1.5962	3.3081	0.5300	0.7989	2.8610	0.7878	0.5065	0.1152	0.4211	0.3475	2.3486	1.4630	0.4716	0.6969	0.8628	0.4302	0.3257	1.2979	1.1240	1.1449	1.3236	0.9181	0.7147	1.3163	0.2714	0.9899	1.5442	1.0155	1.0101	2.4470	1.4233	0.4416	0.3072	1.0444	0.1152	3.9219	5.4519	1.1498	1.6019	0.4885	0.5897	3.0855	1.5310	0.3791	0.4975	0.7749	1.2624	1.5615	0.6157	0.6378	2.3609	1.1125	0.5251	1.3037	0.4720	1.0582	0.5836	0.5051	1.1442
salicyluric glucuronide*	Salicyluric glucuronide	1.7734	0.5493	0.5493	0.5493	0.5493	0.7615	1.0113	0.5493	0.5493	0.5493	0.8909	0.9785	0.5493	0.8968	1.6636	1.1215	0.5680	0.9842	0.5780	0.5493	1.5811	0.5627	0.5493	0.5493	0.5493	0.5493	0.8059	0.7490	0.5493	0.5493	0.5493	0.5493	0.5493	0.5493	0.5493	0.5493	2.2488	0.5493	0.5493	0.5493	0.5493	0.8689	0.9887	0.7908	0.5493	2.9419	1.2688	0.5493	0.5493	0.5493	0.5493	0.5493	1.4231	0.5493	1.6420	0.5493	1.0692	1.2648	0.8781	0.5493	0.5493	0.5493	1.7039	1.5108	0.7772	0.5493	1.6948	0.5493	0.5493	0.5493	1.2386	0.5493	0.5493	0.5493	0.5493
S-allylcysteine	S-Allylcysteine	1.0008	1.0986	0.6459	0.2252	0.0515	0.1324	0.1620	1.0433	0.0515	0.2842	0.7985	0.0749	0.5671	3.2017	1.1247	0.6041	2.7119	1.7821	0.6703	2.6030	1.3624	1.9683	0.4736	0.0515	5.1848	0.6903	1.3064	0.8842	0.2783	0.5562	0.3194	1.5151	0.3149	0.0515	0.1363	1.0912	2.5524	0.6082	3.1434	1.3248	0.9585	2.7430	0.0997	0.5043	0.9992	0.2375	2.7841	1.3804	0.3951	0.1627	0.3667	0.0722	1.5589	0.7169	0.5263	0.6871	2.2488	2.0449	0.0661	0.7646	3.2815	1.0032	2.3010	14.9838	1.3373	15.8057	0.0515	1.6474	5.2534	3.4007	1.2017	1.5692	7.2068	0.1585	0.0515
sarcosine	Sarcosine	1.8187	2.2773	0.7684	0.8117	0.8475	0.9549	1.0538	1	0.9968	1.0789	1.0140	0.7282	0.7671	1.0172	0.8367	0.9442	0.8434	0.9383	1.2896	1.0302	0.8555	1.3743	1.0513	0.9008	0.8406	0.7433	1.0247	1.0113	1.2645	1.0442	0.8233	0.8006	1.0408	0.6947	0.7799	0.8392	0.6575	0.7087	0.7783	0.7400	1.1018	1.2178	1.4129	1.7101	2.5813	0.9015	0.9676	1.1017	0.9988	1.0342	0.9513	1.9235	1.1953	0.8721	1.0476	1.2478	1.2904	1.6161	1.2605	1.3314	0.8670	1.2872	1.4706	0.9553	0.9709	0.7619	1.0589	0.7896	1.1027	0.9588	0.9434	1.0389	1.0878	1.2130	0.9721
sebacate (decanedioate)	Sebacic acid	1.0559	1.2937	0.8936	0.7006	1.5960	0.8973	0.7635	0.9275	0.9425	1.6076	0.9987	0.8003	0.9453	1.9184	1.0375	1.4044	0.6250	2.3187	0.5241	2.5227	1.2757	1.9808	1.8337	0.4678	1.3897	0.6974	1.1788	0.4678	1.1585	0.7812	1.3192	1.8322	0.7791	8.1439	3.3469	0.6730	0.5820	0.7341	1.3413	0.9959	0.5819	0.4678	3.0459	1.2438	1.5593	0.4678	0.4678	0.4678	0.5895	1.0013	0.8719	1.1204	0.8305	1.2561	0.8369	1.4140	0.4678	0.7891	1.6235	0.9846	0.4678	0.4678	0.7064	0.4678	12.6651	0.9599	1.1752	0.7553	0.6696	1.2566	0.4703	0.7980	0.8428	1.2430	1.7044
serine	Serine	0.9745	1.0647	1.0273	1.2183	1.0952	0.8667	0.7667	1.1743	0.8898	1.2005	1.0202	0.9509	0.8609	1.4858	1.1618	1.4307	1.3134	0.8518	0.9188	1.0399	1.1552	1.2672	0.9494	0.8783	0.7730	0.8581	1.2453	0.9422	0.9272	1.1285	0.9290	1.0970	1.1314	0.9978	1.2887	1.2446	0.7889	0.7319	0.9555	1.3480	1.0419	1.2646	1.2429	1.1766	1.2006	1.1747	0.8430	0.8545	0.9825	1.1339	0.8494	1.2202	0.8643	0.9530	0.9046	0.7206	1	0.9375	0.8340	1.0373	1.0834	0.9373	0.9096	1.0426	1.1004	1.1907	0.9068	1.0132	0.9832	1.0916	0.9837	0.8628	1.3868	0.9684	0.9711
serotonin	Serotonin	0.5062	0.6417	1.2306	1.1759	0.9171	1.7889	2.3282	1.1945	1.9889	0.7133	1.3094	1.7136	1.0725	1.1119	2.8644	2.8551	1.1808	0.9287	0.5050	1.8589	2.2601	1.8149	0.7239	1.7904	2.4669	0.3991	0.8001	0.0808	0.5259	0.9957	2.6111	0.7421	0.3068	2.1230	0.6942	0.9580	0.8820	1.0902	0.5593	0.5501	3.3516	0.8372	1.5633	0.0803	0.7226	0.7255	1.7615	1.4528	1.5605	1.1313	0.1642	1.4770	0.1145	0.1317	0.8497	1.9649	1.2869	0.1972	0.6683	1.7408	0.3124	2.9935	1.5065	1.8201	1.2260	1.0858	0.6864	0.7808	0.8118	0.4095	0.8331	0.7986	2.2364	1	0.4208
S-methylcysteine	Methylcysteine	0.7003	1.0849	0.4065	1.0649	0.7530	0.8406	0.5123	3.1027	0.8158	0.8551	1.2231	2.6343	0.8670	2.7967	1.3885	2.3450	1.4721	0.8431	1.2377	3.5634	3.3713	0.6914	1	0.5791	0.7069	0.6358	0.6558	1.0100	1.6378	0.7624	0.8924	4.7246	0.8613	0.9250	2.3023	1.4466	1.6113	0.7893	0.9118	2.5552	2.9961	1.9379	2.9306	2.7331	0.6821	1.4715	2.3897	0.9669	0.5946	2.2053	0.8832	0.9208	1.2824	0.8313	1.1391	0.6067	0.6095	1.5071	0.3287	0.7635	0.8428	0.9288	1.5904	0.8638	1.2222	1.8092	1.7513	2.2562	1.1361	0.8331	0.6505	1.0261	0.9718	0.5955	1.2175
S-methylcysteine sulfoxide	2-amino-3-methanesulfinylpropanoic acid	0.7831	1	0.3067	0.9523	0.9012	0.8556	0.5639	7.1986	0.9314	0.9169	1.0793	1.2589	0.5236	4.7297	1.1608	1.2469	1.1116	0.7778	1.5963	4.0488	4.9573	0.3899	1.5556	0.4952	0.7214	0.2789	0.3691	1.5295	2.6552	0.7429	0.7176	8.2751	0.8020	0.5954	1.8991	2.0811	2.7703	0.5413	0.8689	5.3665	6.3559	5.0058	6.5760	1.9882	0.6861	1.3397	1.3895	1.0454	0.3933	3.7059	0.7167	0.6251	0.9996	0.4852	0.8747	0.4161	0.3587	1.7201	0.2093	0.6558	0.5230	1.2600	2.5825	1.3444	1.4468	1.8955	5.1252	3.7890	1.7364	0.6038	0.4795	1.7035	0.5465	0.4086	1.5886
S-methylmethionine	S-Methylmethionine	0.0914	0.2500	0.4740	0.4699	0.4878	1.5406	3.0986	12.9583	0.4103	0.5423	0.6871	0.1679	0.2813	8.7512	1	0.0792	3.5699	1.1231	0.3484	1.0674	3.2387	0.6711	0.5418	0.0792	0.4335	0.0792	2.0119	0.9837	0.7169	1.0939	0.3608	7.6356	1.1610	0.4441	2.2640	8.8565	2.0856	0.0792	0.0792	1.2126	6.2003	4.1075	3.8042	1.3654	0.7334	5.8242	0.6331	2.4393	0.0792	4.0032	0.7432	0.2206	1.0629	0.3882	0.2724	0.4944	0.4180	1.4760	0.0792	0.0792	1.0607	0.6705	0.4097	0.0923	2.7220	4.4552	9.8312	0.6768	4.1459	2.4219	0.4983	0.4189	1.1041	0.0792	6.0088
spermidine	Spermidine	0.7318	1.0470	1.5579	0.4637	0.7769	0.3179	0.8826	1.1830	1.1800	0.3577	0.5712	0.5053	0.9235	3.3268	3.4334	1.2614	0.7869	0.6064	0.5163	1.4097	1.1034	1.6330	0.3179	0.9530	0.7058	0.8772	1.1972	0.5405	3.4020	0.3179	1.6080	0.5883	2.0149	0.3747	0.4357	2.7534	0.5630	0.3179	0.6902	0.9450	1.2764	1.3479	1.3529	2.2997	1.1144	1.9212	2.1729	0.4445	1.2340	1.0740	0.8368	1.1794	1.8273	0.3179	1.7353	1.6225	1.3823	5.8007	0.6136	0.8501	0.5042	1.9910	1.8554	1.0819	0.3951	0.5094	0.5368	0.3179	0.8965	0.4691	0.5942	0.8586	1.5670	1.2554	0.7751
sphinganine	Sphinganine	0.5095	0.9520	1.3649	0.5386	1.2002	1.3797	1.8251	1.1090	1.1987	0.6120	1.3342	1.6455	1.3843	1.2096	2.7385	2.4807	1.2865	1.6948	0.5337	1.3333	2.6262	1.6386	1.5270	2.5432	2.1078	0.8548	1	0.6492	0.6580	0.6773	2.1911	0.7107	0.5337	0.9825	0.8379	1.1786	0.5991	0.9517	0.8626	0.5952	1.7557	0.9252	2.0540	1.2592	0.6404	0.7047	1.4581	1.1312	1.2646	0.9599	0.6888	0.9302	0.4518	0.6359	1.4019	0.9860	0.7395	0.9937	0.9863	1.7916	0.9314	1.5417	1.1787	1.8128	1.3521	1.5085	0.6279	0.7753	0.5260	0.7961	0.7559	0.7177	1.2209	0.7931	1.1234
sphinganine-1-phosphate	Sphinganine 1-phosphate	0.5567	1.2021	1.4273	0.7209	1.2127	0.9751	1.1261	0.9599	1.3657	0.8573	1	0.8371	0.7079	0.8894	1.8772	1.4559	1.3569	0.9923	1.1080	1.2433	1.2113	0.8756	1.0616	1.5648	1.0906	0.7977	0.7107	0.8501	0.9903	0.9334	1.1348	1.2235	0.7630	0.9492	1.0023	1.2622	0.7136	1.1314	0.9793	0.8322	1.1342	0.8008	1.3479	1.1051	0.9666	1.0402	1.1071	1.0156	1.2288	1.0062	0.6152	1.0103	0.7137	1.0075	1.1976	0.9630	0.7228	1.5647	0.8520	1.5254	1.0643	1.1365	0.8642	1.2101	0.7932	0.9218	0.9368	0.7868	0.6310	0.8956	0.7012	1.0474	1.2273	0.7155	0.8419
sphingomyelin (d17:2/16:0_ d18:2/15:0)*	SM 33:2;O2	0.8357	0.9512	1.3519	1.4126	1.1609	1.4001	1.5861	1.1492	1.0958	0.5784	1.1893	1.5584	0.8806	1.0368	0.7038	1.4657	0.4851	1.2307	1.3863	1.3538	1.0317	1.3057	0.7642	0.6346	0.6605	0.9055	0.9389	0.7954	0.9887	1.2773	1.5343	1.0730	1.1388	0.4522	0.9054	0.6700	1.0739	1.2207	0.8027	0.7984	1.1631	1.4187	1.3786	1.2371	0.8559	1.2393	0.8850	0.5526	1.0677	0.6178	0.7864	0.7072	0.7494	0.6624	0.9696	1.6897	1	1.3548	1.2542	0.9509	0.8595	0.8508	1.1526	0.8754	0.7870	0.9585	0.5890	0.8468	1.0620	0.8891	1.2707	1.2514	1.0044	1.0185	0.9676
sphingomyelin (d18:0/18:0_ d19:0/17:0)*	SM 36:0;O2	1.3581	1.0967	1.2872	0.8214	1.2127	2.0726	1.2904	0.6128	1.7029	0.3626	1.7634	0.4603	0.7939	0.4928	1	0.8643	0.6245	0.9465	1.1015	1.2808	0.5790	2.1868	0.4908	1.1365	0.9107	2.8644	0.6743	1.0028	0.8522	2.3834	1.6640	1.3543	1.7651	1.2930	2.4084	0.4296	0.8817	1.2328	0.8083	0.9976	1.1453	0.6862	1.0148	0.6169	0.5166	1.0599	1.2793	0.5769	2.0408	0.4441	1.0439	0.5057	0.7844	0.8402	1.2318	2.5144	1.0775	1.2534	2.3614	4.4801	1.2892	0.5445	0.8516	0.7695	0.8819	0.4846	0.1419	0.8919	0.9844	0.5114	3.3484	0.8233	1.0276	0.9651	1.3365
sphingomyelin (d18:0/20:0_ d16:0/22:0)*	SM 38:0;O2	1.2596	1.1063	1.4989	0.9371	1.4401	2.0824	1.0971	0.6283	1.5812	0.6249	1.4270	0.5249	0.8228	0.5116	0.9669	1	0.5048	0.8275	0.9253	1.1950	0.7321	1.6934	0.6995	0.8329	0.6434	1.6213	0.4921	1.1421	0.9820	2.3305	1.4245	1.0143	1.1662	1.2136	1.2277	0.7001	1.0075	1.3838	0.5749	0.7751	0.8898	0.9107	1.0777	0.6215	0.4741	1.0185	1.7391	0.6975	2.1124	0.7148	0.9296	0.5630	0.6036	0.7298	1.0147	2.7289	1.5055	1.1019	2.3515	2.8300	1.1468	0.8621	0.7704	1.2057	1.1007	0.6121	0.4834	0.7018	0.9064	0.5802	2.6370	1.1146	0.9259	1.0382	1.3775
sphingomyelin (d18:1/14:0_ d16:1/16:0)*	SM 32:1;O2	0.8553	1.1138	1.4681	1.0936	1.1786	1.2257	1.2018	0.9333	1.4326	0.7062	0.8084	0.9731	0.9439	0.9990	0.9076	0.9760	0.5315	1.3668	1.0726	1.2346	1.0086	1.2038	0.9843	0.9401	0.7209	0.9071	0.8764	0.7406	0.8747	1.4514	1.0527	0.9651	0.9031	0.5602	0.9954	0.8017	1.1973	1.0512	0.9681	0.9632	1	0.9973	1.1903	0.8530	0.8355	1.0770	1.0429	0.9444	1.1103	0.7868	0.9881	0.7341	1.0052	1.0807	1.0198	1.4774	1.1316	1.0691	1.2487	1.0667	0.8717	0.7965	1.1886	0.9092	0.9331	1.0633	1.0137	1.0629	1.3508	0.9474	1.0934	1.0674	0.8212	1.0341	1.0328
sphingomyelin (d18:1/15:0_ d16:1/17:0)*	SM 33:1;O2	0.7652	1.0861	1.0524	1.4139	1.0652	1.1620	1.2791	1.0421	1.2276	0.7351	1.0699	1.1026	0.8924	1.1044	1.0721	1.1157	0.6222	1.1392	1.2643	0.9917	0.9053	1.2142	1.0095	0.7884	0.8682	0.9710	0.9960	0.5966	0.7382	1.3661	0.9829	0.9957	1.2759	0.6144	0.9508	0.8827	1.1535	0.8826	0.9430	0.9206	0.9888	1.2109	1.2613	0.8374	1	0.9144	1.0149	0.8878	1.0210	0.9168	0.9609	1.0181	0.9073	1.1839	1.0395	1.5651	0.8435	1.2214	1.1913	0.8758	0.9094	0.8226	1.3880	0.9300	0.7855	1.0246	0.9161	1.0913	1.2182	0.9657	1.1443	0.9506	1.2258	1.1313	0.9164
sphingomyelin (d18:1/17:0_ d17:1/18:0_ d19:1/16:0)	SM 35:1;O2	0.8593	1.1600	0.9919	1.3592	1.1123	1.1482	1.5547	1.2544	1.1682	0.6887	1.4118	0.9376	0.8176	1.1359	1.1185	1.2069	0.8095	0.9906	1.5515	1.0257	0.8696	1.4267	0.9006	0.9937	1.0633	1.3629	1.3094	0.6902	0.8992	1.4957	1.0364	1.1507	1.4027	0.8280	0.8812	0.7102	1.0168	0.7957	0.9746	1.0969	1.0535	1.1934	0.9933	0.7543	0.8991	1.2880	0.9587	0.8774	1.0277	0.8772	0.8693	0.9415	0.8362	1	0.9318	1.4588	0.7891	1.3499	1.2292	1.0624	0.9833	0.7585	1.4339	0.8894	0.6879	0.9733	0.5837	1.1032	1.0052	0.9423	1.3405	0.9174	1.2257	1.1691	0.8728
sphingomyelin (d18:1/18:1_ d18:2/18:0)	SM 36:2;O2	1.0236	1	0.7611	1.2009	0.9111	1.0760	1.6308	1.1960	1.0093	0.7340	1.3566	1.1565	0.9316	0.9181	1.1204	1.1594	1.1890	0.8605	1.4661	0.9980	0.7910	1.3610	0.6186	1.2119	1.2894	1.6653	1.3762	0.9763	0.9044	1.2358	1.3680	1.1393	1.6476	0.9039	1.2257	0.5926	0.9384	0.9269	1.2341	1.2658	1.0487	1.0127	0.9277	0.9653	0.9197	1.1887	0.9936	0.6260	1.0694	0.7392	0.7811	0.7913	0.8570	0.8554	0.9852	1.1883	1.0802	1.3064	1.5469	1.5669	1.1229	0.7443	0.9978	0.8506	0.7363	0.9616	0.5013	0.9475	0.7914	0.9557	1.3769	0.8421	1.0003	0.9069	1.0079
sphingomyelin (d18:1/19:0_ d19:1/18:0)*	SM 37:1;O2	1	1.2028	1.3459	1.4168	1.1336	1.1985	1.6725	1.0783	1.2463	0.5257	1.1513	0.9547	0.6822	0.8912	0.9428	1.1480	0.5848	1.2339	1.3787	1.0498	0.9101	1.6035	0.5521	0.9087	0.7449	1.5806	1.3382	0.7111	0.9789	1.7349	1.4673	1.0612	1.4773	0.9048	0.7521	0.4571	1.1939	1.0310	0.9467	1.1461	1.0475	1.0571	1.0201	0.7758	0.7317	1.4606	1.0451	0.6632	1.1010	0.6971	0.9287	0.6916	0.6866	0.7461	0.7462	1.9634	0.6485	1.3619	1.3604	1.2224	0.7815	0.6705	1.1499	0.8727	0.5890	0.8201	0.4051	1.1119	0.8805	0.8041	1.5668	0.8464	1.2200	0.8879	0.8562
sphingomyelin (d18:1/20:0_ d16:1/22:0)*	SM 38:1;O2	0.9677	1.1888	1.2902	1.1214	1.1325	1.3305	1.0703	0.8755	1.3349	0.9763	0.9594	0.8656	0.8703	0.9051	0.9319	1.0656	0.6794	1.1309	1.1695	1	1.0831	1.3540	0.8829	0.9436	0.9327	1.0233	1.0355	0.7884	1.1366	1.3323	1.0413	0.9611	1.0930	1.0264	0.7206	0.7925	0.9451	1.0565	0.7450	0.9743	0.9760	1.0512	0.9245	0.8538	0.7834	1.4307	1.1256	0.9628	0.9414	1.1056	1.2883	0.7411	0.8831	0.9477	0.8801	1.3817	1.0786	1.3025	1.2695	1.3095	0.8707	0.9219	0.9028	0.9900	0.8597	1.0138	0.9793	0.8902	1.0028	1.1130	1.0932	1.0489	1.0547	0.9282	1.0788
sphingomyelin (d18:1/20:1_ d18:2/20:0)*	SM 38:2;O2	0.9543	1.0802	0.8824	1.3290	1.0020	1.0997	1.4271	1.1055	1.0893	1.1288	1.3435	1.1352	1.0283	0.9000	1.1419	1.1446	1.0384	0.8619	1.4730	1.0500	1.0455	1.3041	0.5842	1.2538	1.2346	1.2663	1.3424	0.7858	0.9395	1.2810	0.8858	1.2250	1.3619	1.2358	0.8362	0.6600	0.7600	0.8680	0.9804	1.0510	1.2186	1.1126	0.8905	0.9843	0.7634	1.4169	0.8967	0.7451	0.8202	0.9150	0.8432	0.6768	0.7863	0.8617	0.8294	1	1.0346	1.3323	1.3481	1.2426	0.8633	0.8864	0.8868	0.7795	0.8287	1.0289	0.4816	0.7663	0.7692	1.1892	0.9608	0.9574	1.2379	0.9478	0.8524
sphingomyelin (d18:1/20:2_ d18:2/20:1_ d16:1/22:2)*	SM 18:1;O2/20:2	1.7294	1.6508	1.3921	1.4361	1.2475	1.0547	1.8632	0.7964	0.9994	0.7837	1.7550	1.0491	0.8910	0.5079	0.8790	0.8038	1.0662	0.6302	1.6263	1.3731	0.6239	0.9454	0.6660	1.2662	0.8414	2.4574	1.1075	0.6938	0.5828	1.2355	1.1514	1.4490	1.5581	1.0881	1.3634	0.3695	1.5381	1.2944	1.5857	1.3600	0.8427	0.7381	1.5993	0.9044	1	1.1282	1.2943	0.6623	1.3936	0.6657	0.6166	0.6323	0.8231	0.9743	0.6289	1.0348	1.0247	1.0093	1.0507	1.1070	1.0970	0.3989	0.6876	0.6993	0.7420	0.8779	0.5879	1.0096	0.5249	0.8440	1.0463	0.7119	0.8288	0.6684	0.4674
sphingomyelin (d18:1/21:0_ d17:1/22:0_ d16:1/23:0)*	SM 39:1;O2	0.8427	1.0766	1.6417	1.3528	1.2129	1.4012	1.4744	0.8473	1.4394	0.7388	0.9247	0.9811	0.6305	0.9456	0.9637	1.3193	0.4191	1.4065	1.2046	1.0853	1.0423	1.5950	0.9201	0.7319	0.7031	1.1341	0.9393	0.8550	1.1428	1.5643	1.2775	0.9365	1.0470	0.7096	0.6075	0.7145	1.2470	1.1355	0.7076	0.9733	0.9541	1.2190	1.1950	0.7790	0.8420	1.3865	1.0604	0.8181	1.0550	0.8274	0.9857	0.7148	0.7376	0.9562	0.8930	2.0105	0.9463	1.4022	1.4634	1.1462	0.8337	0.9644	1.0978	1.0041	0.7892	1	0.7745	0.9080	1.3263	1.0406	1.3277	1.1145	1.1301	1.0862	0.8271
sphingomyelin (d18:1/22:1_ d18:2/22:0_ d16:1/24:1)*	SM 40:2;O2	0.9252	0.9837	1.0843	1.0545	1.1319	1.2198	1.0704	0.8791	1.1388	1.3183	1.0308	0.9621	0.9597	0.8911	1.0541	1.2635	0.8217	1.0286	1.1156	1.0413	1.1414	1.2672	0.9473	1	1.0496	1.0430	1.0386	0.8087	0.9791	1.1354	0.9221	1.0149	1.0832	0.9477	0.8445	0.9226	0.9205	1.0225	0.8372	0.8975	0.9996	1.1388	0.9896	0.8904	0.8259	1.2655	0.9353	0.8654	0.8650	1.0065	1.0541	0.7622	0.8389	0.9482	0.9566	1.0290	1.2260	1.2659	1.1888	1.2283	0.9367	1.0037	0.9131	0.9042	0.9199	1.0362	0.7468	0.8637	0.9073	1.0745	0.9556	1.1250	1.0894	1.0866	0.8743
sphingomyelin (d18:1/22:2_ d18:2/22:1_ d16:1/24:2)*	SM 40:3;O2	1.2468	1.1964	1.3235	1.3654	1.3083	1.1754	1.6067	0.8534	1.0855	0.6594	1.6468	1.1632	1.0165	0.7288	0.9557	1.0028	0.8079	0.8512	1.4813	1.1808	0.6671	1.0246	0.8209	1.1660	0.8814	1.5985	1.0624	0.8281	0.5519	1.4273	1	1.2224	1.1855	0.8450	1.1509	0.4713	1.1676	1.1876	1.3954	1.0003	0.9087	0.7489	1.4256	0.7172	0.8766	0.9541	1.0700	0.7569	1.2497	0.6386	0.6113	0.7797	0.7306	1.0404	0.7715	1.1051	0.8892	0.9735	1.2220	1.1005	1.0957	0.7338	0.8547	0.7126	0.6465	0.8993	0.4456	1.0830	0.6885	0.8459	1.0131	0.7478	1.0848	0.8956	0.5074
sphingomyelin (d18:1/24:1_ d18:2/24:0)*	SM 42:2;O2	1.0050	0.9643	1.0710	1.0835	0.9746	1.1074	1.0123	0.9789	1.1084	1.0553	1.1477	0.9696	0.8010	0.9277	1.0887	1.1517	0.8855	0.9652	1.0433	1.1656	0.8961	1.1364	0.8548	1.0096	0.8501	1.1567	1	0.9897	0.9882	1.0929	0.9782	0.9830	1.1743	0.9694	1.0796	0.8859	0.9390	1.0428	0.8709	1.0455	1.1299	1.0211	1.1222	0.9459	1.0351	1.0877	1.0263	0.7780	0.9279	0.8011	1.0137	0.8911	0.9246	0.8624	0.9182	1.1064	0.9301	1.1487	1.1309	1.3573	0.9223	0.7965	1.0146	1.0065	0.9290	0.9255	0.6491	0.9425	0.9036	0.8380	1.0891	1.0197	1.1202	1.0715	0.6181
sphingomyelin (d18:1/25:0_ d19:0/24:1_ d20:1/23:0_ d19:1/24:0)*	SM 43:1;O2	1.1805	0.8182	1.1983	1.3255	1.2435	1.5638	1.2847	1	1.2623	0.3984	1.0165	0.6799	0.9478	0.4739	0.8228	1.1720	0.4706	0.6779	1.1181	0.8950	0.8422	1.4268	1.5431	0.4884	0.7017	1.0884	0.8255	0.7789	0.6416	1.7318	0.8186	0.8035	1.1269	0.6175	0.7123	0.5363	1.3469	1.8414	0.7599	0.9618	0.7407	1.1064	0.8567	0.6231	0.9078	1.2891	1.5535	1.2533	1.3281	1.3379	1.4816	0.9592	0.8402	0.9176	0.7732	2.3369	0.8766	1.5136	1.5996	1.1999	0.8161	1.1016	1.5164	1.4088	0.7486	1.1078	0.3492	1.1547	0.6842	0.6699	1.6898	1.0271	0.9973	1.4145	1.0690
sphingomyelin (d18:2/14:0_ d18:1/14:1)*	SM 32:2;O2	1.0370	0.8552	1.1120	1.6000	1.0626	1.3271	1.6070	0.8784	1.4779	0.7822	1.2549	1.9490	1.2413	0.8236	1	1.4709	0.5906	1.3603	1.1959	1.4538	0.9217	1.0128	0.7195	0.9353	0.5112	1.1822	1.0534	1.0336	1.1193	1.5796	1.4071	1.1303	1.0136	0.4380	1.2915	0.7768	0.9340	1.3138	0.9329	0.8586	1.0059	1.0865	1.6272	1.2263	0.8789	0.9007	0.9215	0.4962	1.0442	0.4827	0.6323	0.4893	0.6905	0.7002	0.8832	1.3621	1.4474	1.1767	1.5535	0.9423	0.7533	0.7801	0.9305	0.8915	1.0309	0.9546	0.2980	0.6438	0.7201	0.9276	1.2003	1.3699	0.6943	0.9344	0.8331
sphingomyelin (d18:2/16:0_ d18:1/16:1)*	SM 34:2;O2	0.8923	0.9536	0.9228	1.0942	0.9524	1.0849	1.2333	1.1214	1.0092	1.2201	0.9494	1.1734	1.0424	1	1.2697	1.1490	1.0571	0.8591	1.1345	1.1027	1.0454	1.0973	0.9010	1.0478	1.0804	1.2275	0.9636	0.8735	0.8265	0.9577	1.0096	1.0684	1.2317	0.9764	1.2302	0.9132	0.9074	0.8751	1.0605	0.9517	1.2436	1.1030	1.0350	1.0345	0.8776	1.0103	0.9226	0.8056	0.9506	0.8503	0.8855	0.8174	0.8867	0.9241	1.1391	0.9139	1.1655	1.1930	1.4693	1.4023	0.9714	0.7469	0.9645	0.8930	0.9319	1.0181	0.7421	0.8819	0.8439	0.9486	1.0156	0.9932	1.0042	1.0031	0.9593
sphingomyelin (d18:2/18:1)*	SM 18:2;O2/18:1	1.0147	0.9607	0.8811	1.3980	1.0600	1.0103	1.5179	1.1077	0.8689	0.9848	1.2956	1.0519	1.2061	0.9684	1.2431	0.8169	0.9374	0.7941	1.5350	1.2542	0.8504	1.1644	0.7290	1.0301	1.3347	1.7845	1.0607	0.5207	0.7832	1.2881	1.0157	1.5952	1.5693	1.0334	1.1970	0.7100	0.8879	0.7222	1.3521	0.9533	1.1545	0.8149	1.0181	0.9080	0.7816	1.2243	0.9156	0.8855	1.1265	0.8757	0.8181	0.9502	0.7754	1.0241	0.9793	0.8991	1.7131	1.4062	1.9728	1.2666	0.9441	0.7555	0.9162	0.8043	0.9619	0.8727	0.7162	0.7856	0.8068	1	1.0464	1.0118	1.2735	1.0951	0.7622
sphingomyelin (d18:2/21:0_ d16:2/23:0)*	SM 39:2;O2	0.8530	1.0827	1.2698	1.4320	1.1708	1.0937	2.0014	1.0764	0.9731	0.8516	1.2698	1.3948	0.8552	0.9686	1.1710	1.4796	0.7253	1.2352	1.4579	1.2297	1.1527	1.3906	0.5858	1.1845	0.9016	1.8951	1.2877	0.8712	0.9283	1.4285	1.6903	1.3734	1.4511	1.0970	0.7451	0.4941	1.2160	1.0311	0.9661	1.0531	1.1900	1.3326	1.1204	0.9093	0.7580	1.4350	0.8281	0.6073	0.9591	0.6540	0.7672	0.6650	0.6115	0.6988	0.8111	1.5865	0.8057	1.2967	1.4417	1.2138	0.8127	0.7852	1	0.8567	0.7176	0.9069	0.3690	0.8955	0.7386	0.9230	1.4022	0.9498	1.2345	0.9155	0.6482
sphingomyelin (d18:2/23:0_ d18:1/23:1_ d17:1/24:1)*	SM 41:2;O2	0.8649	0.9783	1.2204	1.2982	1.1065	1.0804	1.4205	0.9607	1.1748	0.8291	1.1218	1.0767	0.6798	0.9506	1.1154	1.4042	0.6758	1.1316	1.0968	1.2335	1.0259	1.4911	0.7491	0.8699	0.8318	1.2600	1.0275	0.8473	1.0026	1.2813	1.0575	1.0771	1.2340	0.8234	0.8949	0.7022	1.0627	0.9755	0.8203	1.0484	1.1124	1.1722	1.2737	0.8436	0.9439	1.2275	0.8781	0.6311	0.8092	0.6488	0.7356	0.7237	0.7008	0.8807	0.8748	1.2514	0.8536	1.3480	1.1731	1.2607	0.7980	0.9055	1.0676	0.8333	0.7535	0.9619	0.4009	0.8833	1	0.9532	1.0757	1.0926	1.3847	1.2083	0.5519
sphingomyelin (d18:2/23:1)*	SM 18:2;O2/23:1	1.0361	1.1685	1.3354	1.2794	1.3744	1.0956	1.5279	0.8314	1.0750	0.4647	1.3809	1.1765	0.8628	0.7210	0.8560	1.1255	0.7393	1.0189	1.2879	1.2508	0.6977	1.3604	0.6258	1.1176	0.8214	1.6635	0.9828	0.7502	0.6998	1.4307	1.1238	1.1797	1.3416	0.8687	1.0696	0.4102	1.1686	1.0417	1.2153	1	1.0831	0.8750	1.4000	0.7442	0.9218	1.1608	0.8876	0.6016	1.0045	0.5990	0.6580	0.7858	0.6408	0.9377	0.7695	1.1700	0.6314	1.1321	1.0601	1.2335	0.8960	0.7442	0.9615	0.7166	0.5869	0.8818	0.2134	1.0766	0.7495	0.7733	1.0805	0.8519	1.3406	1.0526	0.4463
sphingomyelin (d18:2/24:1_ d18:1/24:2)*	SM 42:3;O2	1.0965	1	1.0092	1.0358	1.1194	1.0997	1.0874	0.9420	1.0701	0.9545	1.2386	1.0539	1.0264	0.7590	1.0888	1.0857	1.0388	0.8895	1.0387	1.2505	0.9255	1.1584	0.7583	1.1829	1.0420	1.3141	1.0503	0.9022	0.7999	1.1414	0.8263	1.1785	1.2346	1.1654	1.1916	0.7648	0.9069	1.0044	1.0247	1.0351	1.1914	0.9236	1.1647	0.9193	0.9675	1.0781	0.9640	0.7410	0.8057	0.7847	0.8433	0.8389	0.8967	0.9932	0.9528	0.7837	0.8923	1.1623	0.9276	1.4667	0.9300	0.8456	0.8816	0.8037	0.8658	1.0146	0.4631	0.9583	0.7672	0.9111	0.9081	1.0490	1.4113	1.2507	0.5437
sphingomyelin (d18:2/24:2)*	SM 18:2;O2/24:2	1.3079	1.0711	1	1.4813	1.1692	1.1565	1.7574	0.9532	0.9836	1.0324	1.9243	1.4027	1.1350	0.7973	1.2934	1.3132	1.3823	0.6991	1.6841	1.2084	0.7208	0.9648	0.7689	1.3241	1.1455	1.9179	1.3385	1.0399	0.6002	1.2420	0.8885	1.3153	1.3525	1.1060	1.3802	0.5962	0.9469	1.1252	1.4724	0.9550	1.1529	0.8161	1.4499	0.8697	1.0940	0.9321	0.9951	0.6858	0.9656	0.7002	0.5597	0.8608	0.7764	1.0828	0.9260	0.7938	0.7715	1.0885	1.2587	1.3433	1.2574	0.7602	0.8130	0.8027	0.6500	0.9607	0.4354	0.9275	0.5501	1.0299	0.9411	0.8363	1.1177	0.9534	0.3910
sphingosine	Sphingosine	0.3747	0.7322	1.2953	0.3794	1.1083	1.0779	1.8986	1.0511	1.1072	0.5511	1.0781	1.9128	1.2766	0.8425	1.9315	1.6465	1.1896	1.7036	0.5437	1.2668	2.1918	1.1894	1.2525	2.1818	2.2984	0.8232	1.1230	0.5143	0.5488	0.6489	2.1361	0.5653	0.4228	0.8475	0.7199	1.0562	0.5297	0.9231	0.7062	0.5627	1.4423	0.8104	1.8212	1.1412	0.4893	0.6779	1.5019	1.2947	1.0740	1.1444	0.5995	0.9968	0.2724	0.7677	1.7182	0.8894	0.4683	0.8481	0.7127	1.3810	1	1.6588	1.2523	1.4837	1.1881	1.4794	0.5956	0.8243	0.5076	0.6850	0.8596	0.8127	1.1997	0.8349	0.9337
sphingosine 1-phosphate	Sphingosine 1-phosphate	0.5813	0.9784	1.3512	0.6989	1.0256	0.9589	1.0859	1.0180	1.3096	0.8459	0.9704	0.8597	0.8381	0.7995	1.5328	1.2500	1.2456	1.1806	1.1638	1.3274	1.1007	0.8420	0.8717	1.1638	1.0557	1.0091	0.9997	0.9202	1.1095	1.0102	1.0162	1.0091	0.7527	0.8387	0.9988	1.0679	0.6331	0.9249	1.0271	0.8004	1.0229	0.7374	1.2209	1.0179	0.9240	1.1139	1.1018	1.1054	0.9805	1	0.6882	0.9652	0.8307	1.3339	1.4086	0.8934	0.7262	1.5169	0.9606	1.4667	1.1129	1.2042	0.8872	1.1390	0.9615	0.9261	0.8725	0.8559	0.8112	1.0178	0.7815	1.2217	1.2589	0.8310	0.8681
stachydrine	Stachydrine	0.5412	2.2026	10.7272	0.1242	1.7688	2.8981	12.7022	1.1676	4.0153	4.6113	5.2588	0.1574	3.3912	2.4958	0.6118	0.2446	0.0491	4.8745	0.8137	0.2038	14.6126	0.3605	1.0875	4.7906	0.7075	0.0394	0.4186	3.8662	1.2247	0.6134	1.1502	2.3528	0.2385	2.9067	2.4912	0.2836	0.4855	1.9169	0.1083	0.7692	0.2601	0.6188	1.9022	0.1289	0.2276	3.2297	2.3171	2.5049	0.2583	4.9789	6.7082	2.5601	7.1789	0.3500	0.2700	2.5762	0.4528	1.0419	0.1592	0.1518	0.1022	3.2637	0.9126	5.9131	0.7225	1.4813	0.2091	0.4148	0.1556	0.1108	1	0.4026	0.3765	1.8384	7.5469
stearate (18:0)	Stearic acid	1.0623	1.0566	0.9926	1.1630	1.2429	1.0146	1.4161	1.2848	0.9829	0.8150	0.9947	0.7154	0.8061	1.0736	1.1560	1.3134	0.9468	1.4037	0.8311	1.1464	1.0017	1.3978	1.4534	1.2190	1.2399	1.0153	0.7687	0.9263	0.9610	0.9364	1.5117	0.8423	1.0099	1.1624	1.3927	0.6669	0.7447	0.4953	0.9776	1.1246	0.7386	0.7276	1.0353	0.7908	1.0213	1	0.9853	0.6672	1.1475	0.8368	0.9212	1.0911	0.7331	1.5788	1.3445	0.9326	1.0244	0.9257	1.0453	1.0617	0.9922	0.8920	0.9200	0.8328	1.0674	1.0480	0.6902	1.0164	0.9153	0.5899	1.0285	0.6399	0.7806	0.9706	1.3234
stearidonate (18:4n3)	Stearidonic acid	0.9041	0.8345	1.3994	1.2210	1.4046	1.4943	1.6193	1.3872	0.9488	1.0640	1.8871	1.4709	1.3955	0.6258	1.4453	3.1261	1.4459	1.7248	0.6594	1.0628	2.2059	0.8223	1.6306	0.9146	1.5410	0.9906	0.9296	2.1842	1.3480	2.3077	1.7011	0.8860	0.8958	0.9245	2.6179	0.4865	0.4558	0.5744	2.1694	0.8389	0.6046	0.9433	1.5708	1.2011	0.7740	1.1119	0.7591	0.2436	1.1105	1.2213	0.8513	1.5541	0.4861	1.3274	1.2696	1.7488	0.9896	0.5985	0.7078	0.7237	0.7272	1.8627	1.3394	0.8836	0.3721	0.6368	0.6834	0.9009	0.6200	0.7450	1.1701	0.7648	0.9822	1.0522	1
stearoyl-arachidonoyl-glycerol (18:0/20:4) [1]*	DG 18:0_20:4	0.8354	0.6853	1.0387	1.1344	0.9063	0.8608	1.2465	0.7157	1.3961	0.9725	1.0466	1.5332	0.5927	0.5102	1.7018	1.1526	0.9867	1.7489	0.7481	1.0815	1.0790	1.0977	0.8480	0.7989	0.8330	1.1282	1.2067	0.9259	1.2462	0.9841	2.8660	0.5055	1.1557	0.6322	1.1195	0.7773	1.7498	1.1914	1.3049	0.7938	1.1293	1.1208	0.9849	0.5356	0.9586	0.8905	1	0.6169	1.0598	0.9239	1.6988	1.4801	0.8590	0.8948	1.1538	1.8825	0.5012	0.7520	1.5720	1.1776	1.3824	1.0982	1.2107	2.3503	1.0469	0.8157	0.3583	1.1764	0.7125	0.5632	1.3007	0.8259	0.8350	0.7192	0.7586
stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]*	DG 18:0_20:4	1.0559	0.7264	1.4285	0.9790	0.8565	0.9053	1.3069	0.9771	1.3052	0.9201	1.2041	2.0959	0.4639	0.5161	2.1738	1.2339	0.8296	0.2091	0.9954	1.4727	1.0551	0.2091	0.6371	0.9346	0.8066	1.4440	1.4976	2.1193	0.6649	0.5116	2.2529	0.2091	1.0643	0.2091	1.5851	0.5918	0.9914	1.0903	1.1986	0.6792	1.1545	0.6694	1	0.2091	1.2569	1.3609	1.5930	0.6595	1.3381	0.6205	1.6031	2.0316	0.6869	1.1013	1.4925	2.4978	0.6536	0.5959	1.7280	2.0841	1.7031	0.4302	1.0741	0.9267	0.9123	0.5058	0.2091	1.0078	0.5028	0.6498	1.2177	0.2091	0.9041	0.5028	0.3862
stearoylcarnitine (C18)	CAR 18:0	0.5420	0.8648	0.6967	1.0076	0.9829	0.8712	0.7408	1.3239	1.0890	0.7189	0.9392	0.7520	0.6702	1.3130	1.5010	1.1602	0.8555	1.3472	1.0814	1.0768	0.9007	1.4131	0.9432	0.9975	1.1745	0.5261	0.8792	0.8634	0.8454	0.6972	1.2011	0.8713	1.5177	0.6999	1.6948	0.8860	0.6059	0.4687	0.7766	0.8810	0.8854	0.9528	0.9495	0.9600	1.4688	1.7281	0.8497	1.1044	1.2152	0.8793	1.8222	1.1657	1.1520	2.2475	2.2670	1.6354	1.4064	1.6046	0.8705	1.5672	0.9622	1.2807	1.1494	1.2310	1.6944	0.9977	0.5261	1.0747	1.9133	0.8248	1.2131	1.0420	1	1.1156	1.8239
stearoylcholine*	Stearoylcholine	0.4499	0.2145	1.1576	0.8240	0.5817	2.3615	1.6317	0.8633	1.8614	1.9341	1.5572	0.7844	1.2012	0.8757	1.9746	1.1061	0.4390	0.6452	0.3155	3.3368	1.9216	2.4469	1.2215	1.6270	0.6749	0.2267	1.1370	1.9168	0.0877	1.4730	0.9025	1.0977	1.0074	0.3583	0.2743	0.4898	0.9349	0.9926	1.8896	0.2181	1.1438	1.2008	1.3938	0.2032	0.5255	1.6150	1.9868	1.1280	1.2530	1.2186	0.5633	0.8025	2.6975	1.9567	2.2564	1.5644	1.3488	0.0877	0.4357	1.8113	1.3932	0.4306	0.6967	1.6318	0.8285	0.7744	0.7662	0.5184	1.2953	0.2343	0.7219	0.8644	0.2293	0.1168	0.2732
stearoyl ethanolamide	Stearoyl-EA	0.9322	1.0293	1.0242	1.0497	1.2186	1.5454	1.6704	1.0207	1.0097	0.7920	1.1041	0.8432	0.8907	0.9134	1.6036	1.5613	0.8986	1.3549	1.2220	1.3323	0.8926	1.0503	1.1237	1.2297	1.1578	1.1551	0.8102	1.0934	0.9665	1.1099	1.8507	0.6528	1.2039	0.8918	1.2073	0.6119	0.6748	0.5597	1.1155	0.9513	0.7325	0.9215	1.3051	0.8386	0.8818	0.8808	0.7412	0.5861	1.1672	0.8082	1.1034	1.0724	0.7245	1.5943	1.8239	1.1483	0.9713	1.4515	1.7304	1.3039	0.8413	0.8432	0.9062	0.9812	0.7667	0.8672	0.8483	1.1356	0.7421	0.6780	1.1387	0.7350	0.7061	1	0.9476
stearoyl-linoleoyl-glycerol (18:0/18:2) [2]*	DG 18:0_18:2	1.3400	0.6485	2.0131	0.4410	0.7831	0.1899	0.9880	0.6337	2.4007	0.7896	0.8360	1.8315	0.9606	0.2014	0.8375	0.9526	0.6848	1.8811	1.2856	0.5047	1.0249	0.3927	0.1070	0.8636	1.1611	1.4934	0.8057	3.6273	1.1420	0.7487	7.2947	0.2138	0.6832	0.2281	1.2887	1.1181	0.7990	1.0643	0.9121	0.7275	0.9728	0.5619	1.1022	1.8011	1	1.5851	3.5586	0.5098	2.8665	2.1076	2.4904	1.8301	1.3104	0.8830	1.5642	6.4517	0.6901	3.0010	2.4649	2.9523	2.8501	0.7236	0.4691	0.8291	2.8410	1.2510	0.4772	1.0460	0.3366	2.0113	2.2854	0.3996	1.3391	0.5816	2.9247
stearoyl sphingomyelin (d18:1/18:0)	SM 18:1;O2/18:0	0.8944	1.1076	1.0315	1.1837	1.0472	1.3485	1.4127	1.0071	1.2639	0.6955	1.3426	0.8168	0.9380	0.8834	1.0204	0.9806	0.9276	1.0560	1.4879	1.0272	0.8114	1.5343	0.7199	1.3802	1.3312	1.3622	1.3452	0.8262	0.9544	1.6452	1.0682	1.2592	1.3618	1.0334	0.8753	0.5475	0.7600	0.7706	0.9877	1.0547	1.1677	0.9665	0.8910	0.8219	0.7890	1.4170	0.9945	0.8228	0.9994	0.8340	0.9935	0.7329	0.9324	1.0233	1.0099	1.2932	0.9611	1.3712	1.3106	1.7606	0.9908	0.8271	1.0745	0.7947	0.6988	0.9027	0.4315	0.9667	0.9513	1.0205	1.2573	0.9580	1.1801	1	1.0473
suberate (octanedioate)	Suberic acid	0.9475	0.3324	0.3324	0.3324	0.7632	0.3324	0.5489	0.3789	0.9204	2.3727	0.5242	0.3324	1.6714	0.5400	0.7649	1.6201	0.3324	0.9272	0.3324	0.7409	1.0109	1.6368	1.3866	0.5101	0.3324	0.3324	0.7795	0.3324	0.3324	1.8078	1.2615	0.5851	1.2520	1.9385	1.6034	0.4649	0.9304	0.9334	0.3324	0.9891	0.9672	1.1045	1.0308	0.8307	1.3717	1.1862	0.9886	0.3324	1.2970	1.5526	1.0821	1.4605	0.3324	1.5184	0.7030	1.0798	1.3540	0.6345	0.8007	0.9638	0.3324	0.9612	0.3324	1.3425	14.7782	2.0761	0.9085	0.7600	1.0659	0.9187	1.1553	0.6675	1.1535	1.3169	1.4681
suberoylcarnitine (C8-DC)	CAR DC8:0	1.0983	2.3396	1.2831	0.6128	1.4682	1.3366	0.7148	0.9174	1.2279	2.9009	0.4772	0.3400	4.5572	3.0664	3.7199	0.8911	0.8807	0.9057	0.3430	2.5051	1.2362	2.1398	0.9744	0.9778	2.0308	1.7471	0.3848	0.4689	0.7385	0.6990	3.2929	1.4247	1.1771	5.2981	2.9332	0.7274	0.8134	0.7957	0.9792	1.0158	0.2941	0.3549	2.1636	1.1994	2.4734	1.4399	1.0268	0.9416	1.8494	1.6220	0.9031	1.1985	0.4061	4.4475	2.4740	0.2941	0.8844	2.6815	2.0590	1.3046	0.5232	0.3218	1.5654	0.3974	7.0693	0.8675	0.8760	0.9031	0.4593	0.5733	0.7059	0.5472	1.2668	0.8635	0.9842
succinate	Succinic acid	1.0623	1.0664	0.9967	0.7326	0.8104	0.9807	0.8859	0.9472	1.2202	0.9779	0.9979	0.7400	1.0812	1.2147	1.1743	1.0833	0.9046	1.1609	0.9659	1.1495	1.3174	1.1759	0.8977	1.1172	0.9454	1.0092	1.0296	0.8391	1.2272	0.8539	1.0773	0.9688	0.8677	0.6085	1.3482	1.1163	0.6965	0.9135	0.9741	0.9251	0.9618	1.0984	1.1960	1.0546	1.1108	1.0402	0.8694	1.1567	1.0371	1.1904	0.9432	0.9583	1.1361	1.0122	1.3776	0.8672	0.8523	1.1377	0.9299	1.1284	0.8463	1.0639	0.9295	0.9657	1.0226	1.0330	0.7598	0.8433	1.2297	1	0.7148	0.9844	1.0237	0.8636	1.2400
succinimide	Succinimide	0.9878	0.6578	1.2176	1.4422	0.5810	0.4411	0.5881	2.3013	1.5444	1.7582	0.5201	0.4411	1.0380	1.9296	0.7234	0.6407	0.9578	1.0800	0.7026	0.6108	1.0564	1.5083	1.2338	0.8591	0.8340	1.9298	0.7596	0.7508	1.1650	0.7218	1.2601	0.6968	2.2039	0.7253	0.9498	2.2311	0.8323	0.4411	0.7186	1.0554	0.7496	0.4411	0.6936	0.9311	1.3126	1.4720	1.5702	1.8900	2.2957	1.2882	1.5815	1.2988	1.5038	1.1429	0.8600	0.6940	0.9738	2.3321	0.9261	0.6276	1.1407	1.0457	1.2933	0.7740	0.8583	0.8761	0.5170	1.6110	0.8452	0.7815	0.6224	1.8397	1.0354	1.0122	1.2391
succinylcarnitine (C4-DC)	CAR DC4:0	1.1068	0.8231	1.7720	0.5826	0.6340	1.4815	1.3558	0.5402	1.6153	1.3899	1.4826	0.9972	0.8378	0.7301	0.7302	0.9573	0.7019	0.7933	0.8367	0.7505	0.9204	0.7509	0.5951	0.7768	1.1320	1.0432	0.9706	1.0391	1.8219	1	1.2574	1.0775	1.1508	0.4860	0.9230	1.1552	0.9714	0.8773	0.8988	0.6086	0.9975	0.7087	0.6800	0.8373	1.1738	1.3436	1.0986	1.3191	1.4144	1.3570	0.9279	0.9008	1.4530	1.2021	1.4204	1.3576	1.0795	2.3132	1.3741	1.4201	0.9061	1.1963	1.5652	1.1860	0.9751	1.1680	0.8147	0.9663	0.8242	1.3898	1.0836	1.0793	0.8606	0.9698	1.2865
sucralose	Sucralose	0.3246	0.3783	0.3246	0.3246	0.3246	0.3246	0.3246	0.3246	0.3246	0.3246	0.3246	0.3246	0.3246	0.3246	0.9685	0.3246	0.3246	0.3246	1.1046	0.3246	0.3246	0.3246	0.3246	0.3246	0.3246	0.3246	9.6474	0.3246	0.3246	0.3246	0.3246	0.3246	0.3246	0.3246	0.3246	0.3246	0.3246	0.3246	0.3246	0.3246	0.3246	0.3246	0.3246	0.7935	0.3246	0.3246	0.3246	0.3246	0.3246	0.3246	0.3246	0.3246	0.3246	0.3246	0.3246	0.3246	0.4203	0.3246	0.3246	0.3246	0.3246	0.3246	0.4105	0.3246	1.0315	0.3246	10.4850	0.3246	2.1554	0.3246	0.3246	0.3246	0.3246	2.4590	0.3246
sulfate*	Sulfate	1.0970	1.1396	1	0.9085	1.0140	1.1441	1.1436	0.8276	1.2244	1.1092	0.9582	0.8163	1.0785	0.8907	0.8676	1.0166	0.8813	0.9923	0.8043	1.1984	1.0709	0.8822	0.9599	1.1916	0.8491	1.0622	0.9836	1.0086	0.9347	1.0526	1.1177	0.9176	1.0086	1.0090	1.0049	1.0676	1.1548	1.4323	1.2843	0.9212	0.8943	1.1856	1.2472	0.6122	0.8187	0.8385	1.0856	1.2065	0.8266	0.9912	0.9318	1.0869	1.2556	0.9740	1.0350	0.9191	0.9630	0.8701	1.0389	0.8778	0.7161	0.9660	0.9834	1.1034	0.9547	1.0485	1.6460	0.9935	1.1383	0.8248	0.9046	0.9449	0.9986	1.0512	1.1647
tartarate	Tartaric acid	1.0946	1.4289	1.7560	0.7328	0.8129	0.9959	1	2.3132	1.7702	1.2712	0.7767	0.5062	1.4835	1.1753	0.4979	0.3030	0.6408	1.0384	0.6236	1.2251	1.1663	0.5840	1.5753	0.7283	0.9698	1.7009	0.7673	1.1310	2.2507	0.9625	0.9186	0.9363	1.4890	1.0633	1.1887	2.7676	3.6328	1.0338	0.6143	2.0088	1.9752	1.0772	1.4280	0.6638	0.3704	1.3160	0.6441	0.8334	0.9886	2.8481	1.0812	0.6887	1.2021	0.9610	0.3030	2.5656	0.8204	0.9437	0.5158	0.3030	0.3909	0.6490	2.0545	0.5153	1.0963	4.8756	1.8498	0.9978	1.3597	0.4098	0.4366	0.7970	0.4305	1.3716	0.8577
tartronate (hydroxymalonate)	Hydroxypropanedioic acid	1.1466	1.1628	1.6576	0.8050	1.0007	1.2856	0.9052	1.2661	1.7683	1.4757	1.2134	0.6070	1.6390	1.1718	0.7813	0.4567	0.7439	1.2296	0.8801	1.3395	1.3080	1.0924	1.3924	1	0.8648	1.0932	0.5295	0.8440	0.9648	1.1040	0.8762	1.1684	1.3891	1.3874	1.1647	1.2357	1.6606	0.9308	0.7445	1.6089	1.7699	1.3343	1.7363	0.7973	0.5290	1.3528	0.7685	0.8758	0.9584	1.2225	1.1562	0.8797	1.5187	1.2624	0.3042	0.7874	1.0157	0.4305	0.4731	0.2725	0.5207	0.6684	0.8464	0.6864	0.9547	1.6666	1.4376	0.9393	1.5480	0.3605	0.5619	0.7405	0.6536	0.9047	0.9416
taurine	Taurine	0.9323	0.6381	1.3438	0.8735	1.2792	1.1871	1.0760	1.3481	1.0485	0.9611	1.1701	1.0924	1.3158	1.1126	1.3477	1.1668	1.0272	1.0516	0.7106	1.3054	1.4455	1.1828	0.6746	1.4175	0.8734	0.7888	0.7316	0.9060	0.7186	0.7423	1.2599	0.7131	0.9043	1.2952	0.7461	1.0654	0.7932	0.9433	0.9764	1.1707	1.5106	1.1216	1	0.8421	0.8294	0.8634	1.2947	1.1749	0.8847	1.0484	0.7605	1.1765	0.8831	0.6170	1.0971	0.9540	1.1421	0.8069	0.8048	1.1948	0.5335	1.3024	0.9825	0.8467	1.4946	1.0727	1.1147	0.9589	1.0072	0.7734	0.9856	0.8960	1.3573	0.9072	0.7687
tauro-beta-muricholate	Tauro-beta-muricholic acid	0.9316	0.7328	1.9090	2.1841	0.2863	0.2863	0.2863	0.2863	0.3143	2.1160	3.1088	0.2863	0.2863	0.3373	1.1657	1.5873	0.5208	0.9995	4.5159	1.8882	0.2863	1.3677	0.2863	0.2863	1	0.6811	0.4312	0.2863	1.3271	0.4211	0.2863	0.2863	0.2863	2.3912	0.2863	4.8642	0.6303	1.4793	0.2863	0.4718	0.4765	3.0050	0.7230	3.3343	0.2863	0.2863	0.2863	0.6481	0.2863	0.2863	0.2863	0.2863	0.4545	0.2863	0.2863	0.2863	0.2863	0.2863	0.4294	0.2863	0.2863	0.2863	1.1759	0.2863	3.4559	0.9611	6.5408	0.6643	1.0881	0.2863	0.2863	0.3742	0.2863	1.1148	0.2863
taurochenodeoxycholate	Taurochenodeoxycholic acid	1.3628	1.8237	1.7887	0.9612	0.9581	3.2171	0.8557	1.1677	2.5260	0.4663	3.3171	0.4700	0.6379	0.8216	1.3516	1.5120	0.3929	1.5525	2.8854	2.1672	1.5535	4.9664	0.0492	1.1433	0.8474	8.2584	0.4595	0.6194	0.5344	0.7811	0.0641	0.3508	0.4491	4.4620	3.2040	0.7603	0.4605	2.4888	0.0492	1.1791	1.6650	0.6379	2.2900	4.2944	0.8641	0.5247	0.4166	1.6615	0.6223	0.4500	0.0492	0.1511	1.2579	0.7003	0.7913	0.4859	1.0340	0.6795	1.0091	5.1340	0.4045	0.0492	1.1382	0.0492	3.6675	2.1202	2.3118	2.5300	7.7786	1.3692	0.9909	0.6408	0.0492	0.5195	0.7532
taurocholate	Taurocholic acid	1.1456	4.4149	2.8496	0.6168	0.6091	2.0884	1	0.7622	2.7511	0.1524	4.4896	0.4718	0.1524	0.3820	0.5811	1.0345	0.1524	1.5437	5.1114	1.3637	1.3580	3.5079	0.1524	0.3281	0.7891	8.6558	1.5865	0.1524	0.8282	0.1524	0.1524	0.1524	0.1524	1.3839	1.0419	0.3553	0.3962	3.4665	0.1524	0.6166	0.8482	0.8986	3.1104	5.1211	0.4425	0.1524	0.3921	2.3069	0.4016	0.2977	0.1524	0.1524	3.5607	0.1524	0.5314	1.3391	0.5845	0.5574	0.8759	8.8663	0.4686	0.1524	0.5415	0.1524	4.4342	1.4690	7.9695	1.9467	2.6661	0.9298	0.6142	1.6640	0.1524	0.4089	0.6999
taurocholenate sulfate	Taurocholenate sulfate	4.2940	2.8524	2.3666	1.3598	1.4046	0.5326	0.9765	0.7881	4.2045	0.4205	0.8732	0.7903	1.3022	1.4052	0.2672	1.7423	0.7307	1.0340	1.4271	3.1873	1.1219	1.3963	1.5335	1.5214	1.6960	3.9914	0.3979	0.4739	0.9946	1.1250	0.8360	1	0.6504	4.7649	0.8019	0.6139	0.7529	0.9027	1.0719	3.2356	0.8058	1.1194	0.9432	0.6677	1.3522	1.4877	1.4911	0.9685	0.8776	1.2370	0.4367	0.8560	1.0682	1.6141	0.7626	0.4682	0.8494	1.3109	1.2257	1.3956	0.6687	0.9459	1.5572	0.4982	0.9830	0.4966	1.8333	0.9569	1.6375	1.1091	0.6626	0.9761	0.9629	0.5019	1.5511
taurodeoxycholate	Taurodeoxycholic acid	2.3215	3.4869	3.6491	0.6213	0.4994	3.6134	2.0762	0.5663	0.9098	2.6778	8.8283	0.4732	0.6223	0.6208	1.6086	1.7608	0.3484	4.6535	7.4539	2.0928	0.5433	4.4043	0.0521	1.8022	0.4978	0.0521	0.7750	0.6889	1.6072	0.7127	0.3974	0.4758	0.0521	8.0303	1	0.4848	0.4465	1.7088	0.0521	1.0078	2.5456	1.5949	2.1593	1.4468	0.0521	1.2428	0.6568	2.2882	0.7562	0.1218	0.0521	0.5953	3.0161	0.7068	0.5905	0.4477	0.0521	0.0521	0.4410	12.1316	0.4887	0.0521	0.8226	0.0521	7.5015	1.5596	6.1763	1.5844	8.5938	1.0142	0.0521	0.4375	0.1129	0.6617	0.9077
taurolithocholate 3-sulfate	Taurolithocholic acid sulfate	1.2035	3.6170	4.2822	0.8265	0.8722	1.2590	0.4846	1.1753	2.8942	1.1617	1.9362	0.5074	0.8046	2.1773	0.7214	0.6675	0.9760	1.8836	1.2526	5.2576	1.3463	1.5924	0.6802	1.1878	0.1246	0.6826	0.2748	0.4349	1.1701	0.2695	0.1913	0.8594	0.3727	5.9478	0.1613	2.0526	1.0686	3.3839	0.3306	4.6577	1.6502	1.0240	1.3528	4.5529	0.0765	0.6168	1.0284	1.2181	0.6679	0.2923	0.3735	0.7206	2.2970	1.4582	0.1993	0.2864	0.0765	0.0765	1.0786	1.8487	0.5887	0.5386	0.9646	0.0994	2.2582	0.7441	3.6907	2.2726	3.6925	0.7310	0.0765	0.3149	1.2091	0.8469	0.8860
testosterone sulfate	Testosterone sulfate	1.9150	0.3846	0.3846	0.3846	0.3846	0.3846	0.3846	0.3846	0.3846	0.3846	0.3846	0.3846	0.3846	0.3846	0.3846	0.3846	0.3846	0.3846	0.3846	0.3846	0.3846	0.3846	0.3846	0.3846	0.3846	0.3846	0.3846	0.3846	0.3846	0.3846	0.3846	0.3846	0.3846	0.3846	0.3846	0.3846	1.3372	7.5118	0.8518	0.5897	0.3846	0.3846	0.3846	0.3846	0.3846	4.2313	0.3846	0.3846	0.3846	0.9006	0.6023	0.3846	4.2167	2.9234	0.9610	0.3846	0.3846	0.3846	0.3846	0.3846	0.3846	0.3846	0.4182	0.3846	0.5656	0.3846	0.4055	1.6536	1.1463	0.3846	0.3846	0.8729	1.0390	10.5237	0.3846
tetradecanedioate	Tetradecanedioic acid	2.9771	1.4802	1.3415	0.9788	1.9530	0.5415	0.7838	1.3156	1.1784	1.1506	0.4741	0.5301	1.4574	2.4947	0.9198	0.9374	0.9766	1.6132	0.5487	2.9249	2.3105	2.4736	2.0267	1	1.0995	0.6336	0.4215	0.9097	1.3978	1.2280	1.4792	1.8281	1.1617	4.9491	2.7387	0.3642	0.4297	0.4580	1.6992	0.9551	0.3682	0.5109	3.6439	1.2707	2.0223	0.9630	1.1544	0.5251	0.7669	0.9760	0.9418	1.5648	0.4556	1.0816	0.8448	0.8481	0.6253	1.0157	1.2243	0.9320	0.4664	0.4181	1.9824	0.5415	3.6268	0.5679	0.7050	1.2576	0.8362	0.7145	0.6821	0.5143	1.2399	1.1124	1.7881
theanine	N(5)-Ethyl-glutamine	0.1784	1.6180	0.4809	0.1784	0.1784	0.1784	0.1784	0.1784	0.7505	10.7521	1.9281	8.6804	0.1784	1.0750	0.1784	1.2019	0.1784	0.1784	0.9196	0.1784	0.1784	0.1784	0.1784	3.7294	2.1165	0.3882	0.1784	0.1784	0.1784	0.4460	0.1784	0.5804	0.1784	0.1784	0.2333	0.1784	0.1784	0.1784	0.1784	1.1283	0.1784	0.1784	0.4338	0.1784	0.1784	0.1784	0.1784	0.1784	0.8889	0.1784	0.1784	0.1784	0.4275	0.1784	2.9088	0.5017	0.1784	0.1784	0.1784	0.1784	0.1784	0.9250	1.9677	0.8894	2.2191	0.1784	0.1784	0.1784	0.1784	13.7395	0.1784	1.1615	0.1784	0.1784	0.1784
theobromine	Theobromine	1.8630	0.7319	0.6602	0.1404	1.9275	0.4640	0.0748	0.0832	1.5497	1.1282	2.1470	0.0829	1.6196	12.6548	2.3209	1.9456	1.1323	4.4708	4.2857	0.3257	2.4512	2.1724	0.8748	0.6113	0.1568	1.8367	1.5681	0.8836	1.2128	0.5668	0.6745	0.1234	0.4156	0.2694	1.9379	5.2376	0.7605	2.5395	0.5682	1.6830	0.1756	1.6900	0.4402	0.0987	1.3312	0.8888	0.7071	0.4300	0.1512	0.2261	0.0748	0.1547	0.7032	3.4973	2.4213	1.2253	5.1265	1.6855	0.2402	0.0748	1.0811	0.4549	0.4042	1.2341	18.1727	0.9037	7.3694	0.9189	6.5288	1.1747	1.8253	0.1328	0.0748	0.4532	1.9503
theophylline	Theophylline	1.2095	4.2510	3.6850	0.6698	0.5508	0.3713	0.1033	0.0939	0.2740	3.7400	2.2096	0.0939	0.7832	1.6565	1.7673	4.5674	1.2762	0.7053	1.5139	2.7482	4.1384	0.2615	6.0687	1.2425	0.4693	0.9858	0.6346	2.6132	0.2122	1.1067	0.4974	0.4149	0.3154	0.9233	13.1828	0.9766	5.8467	5.8618	2.5217	7.8036	0.3397	0.6349	0.4035	0.2234	1.4911	0.8553	1.4387	0.1558	0.5821	0.0939	0.0939	0.2381	1.6744	0.6764	3.2002	5.1128	8.3291	5.4202	1.0357	0.0939	0.2982	0.4992	0.9062	1.4655	5.3351	1	3.4919	5.4263	0.6096	5.2981	10.5419	0.3905	0.1868	0.2447	0.7265
thioproline	Thioproline	0.9920	0.6687	0.7154	1.1224	0.9906	0.7812	0.8182	0.7234	0.8011	1.0375	1.1228	1.2121	0.6776	0.4385	0.9047	1.0788	1.1610	0.7369	0.9258	0.5459	1.1809	0.8090	0.6727	0.8241	1.1129	0.8813	1.6308	1.2839	0.8624	1.1929	0.9090	0.6728	0.7518	0.4927	1.1856	1.0087	0.9815	0.8355	1.0233	0.7528	0.9482	1.1009	0.8037	0.9427	1.2654	1.0131	0.9932	1.1004	0.8862	1.1819	1.0090	1.3640	1.0361	0.7874	0.8884	1.5023	0.8872	1.0066	1.3542	1.1017	0.9294	0.9749	1.1169	1	1.0614	1.0969	1.1337	1.2952	0.8311	1.7382	1.2369	1.0989	1.0521	1.0951	1.1915
threonate	Threonic acid	0.8133	1.0009	1.8612	1.1481	1.3449	1.3231	1.0597	1	1.4106	1.7135	1.7430	0.7624	1.1128	1.2275	1.1410	0.5364	0.7299	1.1351	0.7756	1.3680	1.6739	1.1817	1.1940	1.0639	1.3160	1.1757	0.7147	0.6255	0.7730	0.9337	1.1379	1.0876	0.5955	0.6425	0.8744	1.4329	1.3665	0.3731	0.4896	0.7796	0.7954	1.3679	1.6929	0.9611	0.6796	1.0010	0.9957	1.1187	0.8770	1.0146	1.3900	0.7940	1.3014	1.3951	0.3096	0.9159	1.1147	0.6224	0.8337	0.2521	0.3813	0.9922	1.5656	0.9386	1.5428	1.8972	1.1794	0.9994	0.7547	0.3869	0.3140	0.4381	0.4709	0.4417	0.8868
threonine	Threonine	1.3716	1.1044	0.7297	1.2742	0.6095	1.1411	0.7752	1.2455	1.0218	0.8255	1.2700	1.2829	0.8712	1.0540	0.7512	1.0396	1.0810	1.0225	0.8310	1.3242	0.5843	1.1677	0.7205	0.7068	0.5835	0.7706	1.6156	0.7141	1.1914	1.1304	0.7919	0.8839	1.3632	0.7397	1.0109	0.8448	0.8462	0.7614	1.6420	1.1715	1.0300	0.8857	1.1283	1.1150	1.0481	1.2067	0.9095	1	0.9400	1.2126	0.8454	1.1647	1.0599	0.7682	1.4840	0.8027	1.0434	0.9797	0.8633	1.3203	0.9406	0.8441	0.7302	1.1240	0.8808	1.0923	0.8647	0.7949	0.9045	1.0526	0.9198	0.9632	1.2336	0.8109	1.2596
thymol sulfate		0.2656	0.0887	0.1208	1.1186	0.9523	5.1519	2.6864	0.6881	0.2676	1.7799	0.3375	0.0471	0.0421	0.8694	17.5441	1.5356	1.0328	8.4736	10.4978	0.3620	0.3085	0.3239	0.4444	1.0248	0.9752	1.8057	0.2102	0.6284	0.0421	0.4987	0.2267	0.2579	0.1150	0.0708	2.8805	3.3143	3.4689	2.4845	6.4817	0.6304	0.3644	0.1987	0.1560	7.8784	2.4957	15.7535	3.9146	1.3062	0.1049	2.5634	3.1415	20.5862	20.7780	0.5770	1.2781	0.3208	18.0698	26.0531	0.1902	0.2972	0.1223	2.0240	3.4726	3.0057	2.8519	4.8905	3.2654	0.0920	0.3870	0.6506	19.6625	8.7883	0.1284	0.1929	4.0195
thyroxine	Thyroxine	1.1633	1.0832	1.3190	1.0818	1.1164	0.7401	0.8526	0.9549	1.1350	0.8344	1.0377	1.0748	0.9367	0.5630	1.4452	1.1599	0.8424	0.7704	0.9344	1.3398	1.0379	1.0181	0.9033	0.9476	1.1265	1.8870	1.1293	1.0533	1.3433	0.9633	1.5055	1.2064	0.9592	1.4268	0.8693	0.7907	1.1557	1.2498	1.0718	0.8252	1.1114	0.8264	1.3262	1.0108	0.9506	1.1696	0.7836	0.9632	0.9100	1.0531	0.5839	1.0405	0.7656	1.3506	1.0656	0.9603	0.5076	1.0369	0.8730	0.8350	0.9736	0.7809	0.9456	0.8144	0.8667	1.1590	1.0148	0.8378	0.8841	1.0301	0.9474	0.9827	1.0007	1	0.7620
tigloylglycine	Tiglylglycine	0.9128	0.2719	2.0724	0.2719	1.0316	0.9385	0.2719	0.7076	0.2719	3.2577	2.6202	0.7601	0.6593	0.2719	0.9571	1.2772	1.0576	1.6587	1.0289	0.8771	0.2719	1.5538	0.8508	0.2719	0.5664	3.8589	0.8683	0.9711	0.8995	1.3545	0.6577	1.0703	1.6085	0.2719	0.2719	0.2719	1.4907	0.6274	0.2719	0.5176	0.2719	0.9616	0.2719	1.6464	0.5790	0.9686	0.2719	0.8637	0.2719	0.2719	1.5542	1.6157	1.6504	0.6816	0.6695	1.4575	0.2719	1.2352	0.7797	0.2719	0.2719	0.6476	3.8612	0.2719	1.2534	1.2568	6.9209	1.4153	4.8277	0.2719	0.2719	0.5931	0.6696	1.7655	0.8135
tiglylcarnitine (C5:1-DC)	CAR DC5:1	0.5926	0.7058	0.8053	0.5795	0.9760	1.5319	0.7959	1.4499	1.6631	0.8924	0.5438	0.5161	0.7290	0.5882	0.7027	1.2092	0.8743	1.2957	0.6701	0.8492	1.1871	1.1650	1	0.5822	1.3521	1.2706	0.9846	0.6744	0.6854	1.4219	0.9898	0.8880	0.8648	0.9428	0.7367	1.0247	0.7121	1.4733	1.4365	1.1460	0.4710	0.7584	0.4809	0.8323	0.9718	0.5670	1.6550	3.2277	1.2613	0.7400	1.5501	0.9865	2.5872	1.7738	1.2019	2.1270	1.0314	1.2380	1.6797	1.1450	0.6071	2.1130	2.0993	1.1301	0.7728	0.5377	4.3817	1.2262	2.8689	0.8145	1.2078	1.8836	1.4971	3.0039	2.0325
trans-4-hydroxyproline	trans-4-Hydroxyproline	1.0239	1.1495	0.7827	1.0529	0.9470	1.1163	0.7923	1.0499	1.3229	1.4211	1.3086	0.8647	1.4182	0.5649	1.6432	1.0587	0.9101	1.0061	0.8859	0.9858	0.7052	0.9613	0.6348	1.4106	1.4536	1.0155	1.4109	0.8649	0.8589	0.9488	0.8808	0.8631	1.1825	0.7032	1.1735	1.2436	1.1404	0.9716	1.4994	1.0670	1.2675	1.0166	0.9600	0.9845	1.0276	0.9259	0.9551	1.1183	0.8105	1.1018	0.8524	0.8120	0.9290	0.8245	1.8428	0.9785	0.7955	1.0260	2.0134	1.3675	1	0.7477	1.1250	0.7506	0.6794	0.7316	1.1855	0.7402	1.2861	1.0848	0.9633	0.8649	0.9966	2.8029	2.4435
trans-urocanate	Urocanic acid	1.2206	1.1832	0.8474	0.7544	0.8117	1.1142	0.7630	1.8831	2.5416	1.0813	0.7299	0.6195	0.7137	0.7868	0.6469	1.3082	0.8442	2.8643	1.0079	1.2265	0.7600	0.8250	1.8905	0.7476	0.6990	0.8404	2.1657	1.0123	1.4298	1.3293	0.8584	0.5755	0.7792	0.9152	0.9982	2.1057	1.0510	0.7161	1.1229	0.7813	0.8294	1.3592	1.7911	1.4466	0.6218	1.8572	0.9245	0.5282	1.0144	1	1.3587	2.3705	1.9603	1.3662	0.7696	1.0962	1.1448	0.9659	2.2164	0.6943	1.2419	0.9248	1.9023	1.0195	0.5949	1.4153	0.7428	0.9699	0.5623	0.7197	0.9374	1.1954	0.7923	1.4927	1.4729
tricosanoyl sphingomyelin (d18:1/23:0)*	SM 18:1;O2/23:0	0.8176	1.0569	1.4802	1.3370	1.0274	1.3458	1.4728	0.8966	1.2408	0.8750	1.0981	0.9071	0.6289	0.8762	1.1645	1.2703	0.6189	1.2204	1.1775	1.1713	0.8193	1.4119	0.8772	0.6709	0.7766	1.3460	0.9368	1.0375	1.1635	1.2646	1.1367	1	1.1464	0.8627	0.6527	0.7999	1.1016	1.1037	0.5458	0.9198	1.0316	1.1069	1.3041	0.8567	0.9895	1.1855	1.2115	0.7459	0.9915	0.7244	0.6784	0.7748	0.7041	0.9568	0.9459	1.6770	0.8745	1.4940	1.4924	1.5134	0.8846	0.8952	1.0440	1.0179	0.8437	0.8501	0.4490	0.7627	0.9936	0.9418	1.2946	1.2305	1.1386	1.2134	0.6510
trigonelline (N^-methylnicotinate)	Trigonelline	0.1497	2.1987	1.9639	0.4381	0.4741	0.6469	1.4619	0.7309	1.4197	4.8305	1.3360	3.4554	0.1725	1.3814	3.4069	3.7183	0.6347	0.3839	0.1970	13.9754	7.2563	0.1102	4.0041	0.1110	0.2771	0.1256	0.2036	8.3663	0.9581	0.2104	0.7960	0.3744	0.3727	0.3845	4.4268	4.0748	2.2887	3.5753	0.8577	1.3499	0.3042	0.8017	1.7105	1.9782	1.2805	0.6089	3.3705	0.3903	0.2575	1.6827	0.9035	0.9762	2.8888	0.6591	1.5172	1.5470	3.3525	11.6735	0.2542	0.1219	0.8360	0.3897	4.0823	0.4140	20.9622	3.6064	3.6461	2.2548	0.5899	1.4821	6.9218	1.8129	0.5529	1	0.7748
trimethylamine N-oxide	Trimethylamine N-oxide	0.4873	1.0914	1.1622	0.9453	0.8400	0.9562	1.3627	0.6521	3.7913	1.2598	2.1529	0.9490	0.8099	0.7876	0.7597	1.0609	0.6497	1.0150	0.9098	0.6432	1.3669	0.5778	1.4067	0.5854	0.3543	0.3146	1.2941	0.8085	0.7190	0.6723	1.0245	2.1393	0.9168	0.7871	0.6012	1.0129	0.6597	3.6979	1.5188	0.4860	0.4084	0.6624	1.0846	0.9345	0.4974	0.8574	2.3495	0.9729	1.7479	0.6814	1.0415	1.2458	1.0211	0.5973	1.4566	1.4216	0.3675	4.1300	1	1.2181	1.1276	0.4584	1.1537	1.4803	4.2027	0.6502	1.4342	1.5138	3.7869	0.6861	0.1928	1.3679	2.0145	1.3257	1.0717
tryptophan	Tryptophan	0.8804	0.9091	0.9920	0.9821	0.7854	0.7260	0.9778	0.8506	1.0663	0.8389	0.7517	0.8759	1.0031	0.7975	0.8272	1	0.8181	0.8551	0.8402	1.0647	0.9069	1.0231	0.8761	0.8506	0.8792	0.9172	1.0161	1.0955	0.9221	1.1821	0.9413	0.7807	0.7770	0.7439	0.8036	0.8972	1.0118	0.9688	1.0604	0.9832	0.9711	0.8981	0.7126	0.7882	1.2759	1.0418	1.0508	1.1408	1.1953	1.1716	1.0313	1.1057	1.0900	1.0180	1.0078	1.1241	1.0721	0.9595	1.0180	1.0500	1.1510	1.1336	1.1498	0.8659	0.8396	1.0312	1.0262	1.0937	1.0591	1.2249	1.2052	1.0503	1.1948	1.1258	1.3053
tryptophan betaine	Lenticin	0.4940	1.8428	0.8222	0.3505	0.5368	0.4026	0.6971	4.7357	2.0143	4.6163	0.1584	1.1737	2.5147	1.2389	1.0384	2.3274	2.7616	0.3486	0.3214	0.1593	6.1605	0.3889	2.4328	0.0178	0.0549	0.5255	0.0160	4.8786	2.7416	0.0538	1.5561	0.0149	2.5138	1.1023	1.5609	4.0583	1.1336	2.0111	0.0744	0.7867	1.8476	2.4772	1.2893	1	0.3895	0.1845	1.3942	2.6430	1.1154	0.7402	2.1416	0.5030	1.7389	0.0268	0.4108	0.4087	2.0347	2.6652	0.7635	0.0126	0.3906	0.2796	1.4206	1.0936	7.5509	1.5691	3.5205	0.2091	0.4650	2.7503	0.1463	0.9761	0.9426	0.1239	0.5242
tyramine O-sulfate	Tyramine-O-sulfate	0.4354	2.3498	0.5997	0.2351	1.0142	1.9216	1.0144	0.2351	1.5219	1.9476	0.7480	0.5423	0.6153	0.2351	0.3268	0.6529	0.2351	2.3936	1.7830	1.4786	0.5252	2.2258	0.6559	0.2351	0.5798	1.4689	3.6302	0.5940	0.2351	0.3782	0.3059	0.4953	0.3382	0.5531	0.6982	0.2351	0.6194	1.9579	2.1977	0.5558	0.4529	0.7460	0.2351	2.2915	3.4120	0.2351	7.3889	3.1866	1.1728	0.2351	7.6282	0.6197	1.6901	0.7146	1.9309	0.7651	1.4847	0.2751	14.6923	1.1561	2.7818	1.1328	0.9858	0.9656	0.8315	0.9410	2.2751	1.5819	3.4078	0.4493	0.6255	1.2311	1.4875	1.5868	0.4695
tyrosine	Tyrosine	0.8179	0.6761	0.8068	1.2860	0.7548	0.7433	1.4065	1.0180	0.9828	0.8793	1.1708	1.2693	0.8421	0.6119	0.6339	1.2119	1.0543	0.9999	0.8479	1.0633	0.9953	0.9906	0.8912	1.2034	0.6808	0.8886	0.9495	1.1526	0.6978	1.4409	1.3690	0.7264	0.6468	0.4324	0.8678	0.6348	0.5948	0.8868	1.2285	0.7714	0.8236	1.0535	0.9315	1.1031	1.0817	0.6898	1.0781	1.2517	1.4054	1.2392	1.2304	1.1802	1	0.8790	1.3473	1.3262	0.9534	0.8918	1.4274	1.6189	1.4240	1.3369	0.9680	1.2379	0.8027	1.1765	1.1220	0.9925	0.9657	1.7406	1.2874	1.0706	1.3355	1.0085	1.0558
umbelliferone sulfate	Umbelliferone sulfate	0.1444	0.1444	1.7637	0.3204	0.1444	3.1312	0.8215	0.4993	1	0.1444	0.1444	0.1444	0.1444	0.1444	0.8295	1.3422	1.1823	0.4366	5.6223	0.1444	2.0943	0.3249	1.6296	4.3723	0.1444	0.1444	0.8452	0.9792	0.1444	0.1444	0.1444	0.1444	0.1444	0.1444	1.9028	0.3031	0.3204	0.5158	3.1106	0.3933	1.8290	0.4373	0.1444	0.1444	2.7183	1.0505	0.1444	0.4973	0.1444	1.0071	0.1444	0.4742	0.1444	0.3303	1.3862	2.6439	3.4516	0.3727	3.8920	1.1425	0.1444	1.8005	0.1653	0.1444	0.6513	0.1444	6.4615	0.2076	0.1444	1.4100	0.1444	0.1444	0.5386	0.3428	1.2131
uracil	Uracil	0.6804	0.7159	0.7558	0.8682	1.1086	1.0093	0.7934	0.9215	0.9086	0.7935	1.0990	0.8690	0.8757	0.6261	0.6666	1.1819	0.4900	1.5959	1.3150	1.2102	0.6636	1.4930	1.0831	0.7216	1.1663	0.5583	1.0792	0.8175	0.5605	1.1550	0.7422	0.7171	0.7843	0.6150	0.7535	1.3048	1.4410	0.7592	0.7460	0.7885	1.4539	0.9907	0.9367	1.0168	1.1348	0.5768	1.5014	1.0261	0.7786	0.4900	0.8296	1.1274	0.8886	0.7542	0.5729	1.2451	1.1173	1.7705	1.2276	1.1009	0.8133	1.3801	1.4545	1.5499	1.3876	1.3462	1.3921	0.9211	1.5351	1.0955	0.9595	1.3273	1.0738	1.0231	1.0999
urate	Uric acid	0.7788	0.8448	1.0724	0.9931	0.8613	1.1722	1.2888	0.9295	1.1226	1	0.9108	0.6007	1.0128	0.7870	1.0848	0.6831	0.8069	0.8761	0.7789	0.9387	0.7654	0.8218	0.9261	0.6121	0.7024	0.7448	0.6048	1.1221	0.9933	0.9253	1.4010	0.9311	0.9633	0.7768	0.9812	1.0773	0.8748	0.6055	0.8542	1.0293	0.9925	1.0227	1.0386	0.5285	0.9957	1.2515	1.4944	1.2252	1.3774	1.1071	1.2173	0.9352	1.2565	1.1808	1.4486	1.1953	1.3467	1.2655	1.2891	1.3421	0.9532	1.0657	1.0084	0.9107	1.2910	1.0432	0.9806	1.1811	0.9616	1.1110	1.2558	1.1900	1.2247	1.0708	1.3117
urea	Urea	0.8856	0.6560	0.9380	0.7419	1.1126	1.2387	0.6611	0.7366	1.1941	1.3373	0.7634	0.9101	1	0.6483	0.5195	0.8831	0.7016	0.9560	0.7364	1.1517	0.6462	1.0524	0.7600	0.8998	0.9237	0.6078	1.1427	0.7423	0.9418	1.2491	0.7458	0.7363	0.9372	1.1366	0.7395	1.1668	0.8075	1.2512	0.8065	0.9044	0.7583	0.9539	0.9986	1.1393	1.0882	0.8223	1.5134	1.4666	1.2116	1.1335	1.1327	0.9878	1.4007	1.1901	0.9255	1.6010	1.2215	1.1492	1.2351	0.9543	0.9666	1.1282	1.7257	1.2744	0.7600	1.4614	2.8133	1.3849	1.8764	1.1895	1.2189	1.6602	1.1672	1.8533	1.3252
uridine	Uridine	0.7612	0.8494	1.0007	1.1012	0.9717	1.1558	0.9526	0.9677	0.8167	0.8973	1.1378	0.8243	0.9504	0.8815	1.0220	1.2128	0.8138	1.2835	1.0865	1.0310	0.9135	1.0982	1.0672	0.9224	0.8995	0.8297	1.0384	1.2211	0.9219	1.0601	0.9205	0.9120	0.9146	0.8829	0.8663	1.3198	0.8911	0.8130	0.9491	1.2229	0.9677	1.3785	1.2649	0.8472	1.1500	0.7969	1.2544	0.9543	0.9703	1.0390	0.9885	0.9778	1.3419	1.1957	0.9917	1.3773	1.0523	1.2216	0.8940	0.9533	1.0086	1.2483	1.1936	1.2401	0.8885	0.8433	1.1438	1	1.2135	1.2699	1.1755	1.1408	0.9972	1.1175	1.0945
ursodeoxycholate	Ursodeoxycholic acid	0.6640	0.4163	0.3170	0.4302	0.3033	3.1136	1.8642	0.5354	0.3913	0.0630	0.0630	1.8954	1.0490	0.1450	0.3366	1.1842	0.1791	0.4199	2.9067	0.3279	0.0630	0.0630	0.1957	0.4011	1.0578	0.0630	0.8378	2.0835	0.0630	1.4808	0.8992	0.6611	2.2688	0.4262	1.5515	0.5441	0.6716	1.0718	0.5683	0.6364	0.5597	0.6287	5.1309	1.1892	2.8384	0.3794	1.3777	1.2747	0.8534	1.4964	1.2951	0.9735	0.0630	1.0807	0.0630	0.4963	0.0630	0.6231	0.9386	2.9661	0.5105	1.6793	4.6876	1.2917	1.4301	3.3171	0.0630	1.1940	1.2030	1.4530	6.3907	2.8986	1.0420	1.0265	0.2744
ursodeoxycholate sulfate (1)		3.2917	2.7453	0.2940	0.6034	0.3555	1.5756	1.2258	0.2940	0.4725	1.8492	1.7481	0.3252	1.6489	0.7474	0.2940	5.4626	0.5921	0.3716	0.2940	0.7691	0.6705	0.9082	0.9852	2.3061	0.2940	0.2940	0.5581	0.2940	1.0489	0.2940	6.5343	1.9557	0.5064	2.5836	0.2940	0.5326	0.4291	0.2940	0.2940	0.6434	0.6597	1.4826	1	0.2940	0.2940	0.5826	4.6096	1.3166	0.2940	1.1107	0.7179	0.2940	1.6759	1.3699	0.2940	1.3620	0.2940	0.2940	0.6986	2.0159	1.5259	0.7936	0.9733	0.9753	13.5379	1.3156	0.5541	0.5574	0.4663	1.3476	0.2940	1.4551	6.3441	1.0921	0.6569
valerate	Valeric acid	0.4540	0.7385	0.4540	0.4540	0.6522	0.4540	0.4540	0.4818	0.7793	0.8663	0.8054	0.4540	0.4540	0.4540	0.9503	0.4540	0.4540	0.7966	0.9279	0.4540	0.4540	0.4540	0.4540	0.4540	0.4540	1.1232	1.0995	0.4540	0.4540	1.2223	0.4540	0.9820	1.5755	1.3277	0.9975	2.5620	2.5789	1.8496	3.6676	2.3765	2.9551	2.9942	3.3233	3.0980	0.4540	0.4540	0.4540	0.4540	0.4540	0.4540	0.6217	0.4540	0.6184	0.8579	0.8276	0.8988	0.4540	0.7724	0.4540	0.9716	0.7792	0.4540	0.4540	0.4540	1.0025	0.4540	0.4540	0.8979	1.2304	1.3857	1.6164	1.3147	1.6955	0.4540	5.6796
valine	Valine	0.6086	0.7264	0.8239	0.8644	0.8574	1.1611	0.9601	0.9528	0.8272	0.7131	0.6941	0.7431	0.9887	0.7480	0.6993	1.0464	0.6378	1.0968	0.7739	0.9070	0.6924	1.1446	0.8182	0.8717	0.8542	0.7917	1.1875	1.0795	0.9593	1.0973	1.0722	0.7829	1.0355	0.8833	0.9624	1.0584	0.8862	0.6889	0.8859	1.3123	0.9821	0.7726	0.6258	0.9522	1.0839	1.0533	1.1594	1.1167	1.0397	0.9544	1.0384	0.9837	1.2334	1.0749	1.1637	1.2030	1.1443	1.2047	1.0103	0.9811	0.9559	1.0763	1.2276	1.0703	1.2066	1	1.4972	1.0567	1.2685	1.2211	1.4922	1.1759	1.0061	1.3489	1.3265
valylglutamine	Val-Gln	0.7452	0.5230	0.5230	1.0275	0.7723	0.7161	0.9202	0.5230	1.2111	0.5230	1.0472	0.8927	0.5230	0.5230	2.1346	0.8571	0.5230	0.5230	0.5230	1.0414	2.2038	0.8693	0.5230	1.1638	1.6049	1.0305	1.1077	0.5230	0.5824	0.8689	0.7504	0.5230	0.5230	0.5230	0.5230	0.6300	0.5230	0.5230	0.5830	0.5230	0.8144	1.4560	1.0073	1.3562	1	0.7015	0.5230	0.5230	1.3608	1.2131	1.0019	0.8426	0.6809	0.7936	0.6979	1.7973	0.5230	0.6971	1.2596	1.2633	0.6397	1.2007	2.7139	1.0860	0.5230	1.6621	0.5230	0.9123	1.6389	0.6604	0.5230	0.5230	0.5230	0.5230	0.5433
valylglycine	Val-Gly	0.1616	2.1415	0.7447	0.6134	0.7257	0.8311	0.6010	0.9222	1.3116	0.9767	0.7849	0.4382	0.1616	0.1616	2.0823	1.3619	0.3819	0.5259	0.3268	1.0586	2.3570	1.4896	0.1616	2.3343	2.2807	1.8532	0.6097	4.7813	1.0295	0.6323	0.1616	0.1616	0.1616	0.1616	0.8474	0.9848	0.4566	0.1616	0.1616	1.9368	0.1616	3.5734	0.7033	1.2499	1.2804	2.1175	1.4467	1.6686	1.2494	1.0356	0.7093	0.9694	0.1616	0.1616	1	1.7992	0.8740	0.8663	1.5951	0.6960	0.1616	1.2411	4.1359	0.6653	14.5155	1.0754	0.5396	0.1616	3.2195	0.7323	0.1616	0.1616	1.0154	0.6741	0.6611
valylleucine	Val-Leu	0.8738	1.0346	0.9296	0.7609	0.9530	0.7740	0.7155	1.0601	1.4490	1.1253	0.7237	0.8858	0.9329	0.4103	1.4215	1.0679	0.5355	0.6313	0.8317	1.0070	1.3928	1.6004	0.5813	0.9581	1.1343	0.7796	0.9634	0.8358	0.8254	1.0244	0.5562	0.7149	0.9998	0.4004	0.9000	1.2707	0.8048	0.5100	0.9348	0.9669	0.7390	0.9559	0.9157	1	1.3082	1.3481	1.5867	1.4556	1.0421	1.7013	0.9763	1.1491	1.5912	1.2393	1.3114	1.0546	0.6756	1.1851	1.1318	8.5715	0.7025	1.0109	1.7788	1.1377	1.3144	1.2607	1.0302	0.8800	1.2415	0.9761	0.4234	1.1073	1.1045	1.1496	1.3967
vanillactate	Vanillactic acid	1.2260	0.6717	1.0241	0.5097	0.8730	1.5677	2.1618	0.5931	0.9697	1.6422	1.8208	0.8544	1.0811	0.5097	1.4724	1.6319	0.8651	0.7174	0.6856	1.5122	0.5097	0.9449	0.5097	0.5097	1.0521	0.5097	0.8817	0.9520	1.1582	0.5945	0.9441	1.2559	0.5273	0.9382	1.2765	1.0739	0.9788	1.2237	1.9910	0.6416	0.7314	0.9008	0.7392	0.9024	0.8503	1.0675	1.1119	1.0794	0.7171	1.0212	1.0439	1.3469	0.7300	0.9223	1.5642	1.0401	0.7743	1.3006	1.6690	0.9404	0.8741	1.1602	0.8982	0.6436	1.0359	1.4412	1.3385	0.7902	0.5097	1.2688	0.6162	0.8870	1.3065	0.5097	1.4369
vanillylmandelate (VMA)	Vanillylmandelic acid	0.7294	1.1418	0.9359	0.7736	1.3518	1.0105	1.6131	0.9293	1.8126	1.5312	1.2177	1.0325	0.7436	0.8723	0.7551	0.8952	1.1722	1.3076	0.9966	1.1102	0.7939	1.5386	1.0046	0.7430	0.9139	0.4303	0.7270	0.9748	0.8422	0.6734	0.9504	0.9164	0.9443	0.5807	0.8222	1.1559	1.0673	1.3269	0.9413	0.7717	0.6178	0.9958	0.8234	0.7901	1.0059	1.3402	0.8980	1.3424	1.1024	1.2096	1.6160	1.3154	1.0264	1.1360	0.8681	0.9597	1.2776	1.5706	1.0248	1.1837	1	1.2867	0.9724	1.3321	1.1761	1.4985	0.6896	1.0605	0.6743	1.4523	0.7383	0.9545	1.3830	0.6766	1.5335
xanthine	Xanthine	0.7482	1.0286	0.7592	0.8504	0.8351	1.2348	1.1106	1.1951	1.0610	0.5837	0.9280	0.8219	0.9430	0.8250	0.6293	0.8879	0.7116	1.1142	0.9797	1.2648	0.7321	1.0247	1.0410	1.8548	1.0202	1.1403	0.9017	1.0210	1.0541	1.0157	1.0948	0.8787	0.4798	0.6852	0.5440	1.0403	0.6046	0.6736	1.0414	0.9837	1	1.0445	1.1204	0.8415	0.6503	0.9669	1.0001	1.1018	1.3312	0.9260	0.9600	0.8664	0.9349	1.1026	1.3547	1.0926	1.7208	1.0603	1.0973	1.2229	1.0624	1.9500	0.7495	1.1355	0.8589	0.7604	0.4317	0.8070	0.9001	1.0595	1.0600	0.8477	0.9791	1.0869	1.3159
xanthosine	Xanthosine	0.6271	0.5552	0.5552	0.5552	0.5552	1.0902	1.0693	1.0366	0.7549	1	1.7276	0.5552	0.5552	0.8548	0.5552	1.6331	0.5944	0.5552	1.3577	0.5552	0.5552	0.5580	0.7097	0.5552	0.5552	0.5552	0.7522	1.0110	0.7615	0.5552	1.5225	0.7424	0.5552	0.5552	0.5552	0.5552	0.8425	0.5552	1.7958	0.6316	0.5552	1.1567	0.5552	0.5552	0.5552	0.5552	1.2110	1.3153	1.0897	0.8612	1.7027	0.9566	1.3951	0.5552	0.5552	1.0993	1.3512	0.5552	1.4080	0.8714	0.5552	0.5552	0.8236	0.8101	0.5552	0.5552	0.8589	0.7115	0.5552	1.0405	0.5552	0.5552	0.5552	0.9800	1.8725
xanthurenate	Xanthurenic acid	0.9285	0.3977	2.2040	0.8823	0.7921	0.9994	1.0868	0.4877	1.2226	0.6431	0.5428	0.2558	0.6830	0.1489	0.3668	0.7137	0.2825	2.1015	0.2704	0.6121	1.0546	0.9209	0.8581	0.9151	0.8779	1.7175	1.1524	1.3628	0.6680	1.7389	1.4758	0.2970	0.9557	0.9855	0.6636	1.5318	1.5484	1.3224	1.6820	0.9809	0.8943	0.5618	0.2350	0.6256	0.9969	0.7708	1.4236	1.6475	1.8871	0.4717	0.5952	1.0006	0.7582	1.2186	1.0542	2.1235	0.6996	0.8342	1.3970	1.5629	0.1489	1.7596	1.4324	1.3763	1.0734	1.6182	6.2762	1.1318	1.4656	1.6910	1.4359	2.1745	1.3375	1.8467	2.5970
ximenoylcarnitine (C26:1)*	CAR 26:1	0.6496	0.8556	0.6318	0.7736	0.5868	0.7837	0.8856	1.8094	1.0784	0.8542	0.7885	0.9685	0.8920	1.3364	1.1813	0.8956	0.7901	1.1814	0.8377	0.9996	1.4187	1.1241	0.8183	0.6561	0.8215	0.4488	0.5339	0.8157	0.6677	0.9694	0.9926	1.0051	1.3223	0.9684	1.6586	1.0818	1.2461	0.9401	0.8790	1.1354	0.7904	0.8485	1.0466	0.8691	0.7267	2.7548	1.0432	1.3080	1.8054	1.0023	1.8860	0.8699	1.3062	1.0837	1.3111	2.2006	1.3187	1.3365	0.9866	1.7426	0.7692	1.1155	1.1467	1.7476	1.5450	0.8331	1.2190	1.2688	2.0807	0.8577	1	1.6238	1.7413	0.9561	1.1083