Metabolite_name	RefMet_name	2831	2891	6541	5111	6914	6924	6991	7011	7021	7022	7001	7002	7003	7004	7005
Factors	-	diabetes:db/db | time of day:ZT17	diabetes:db/db | time of day:ZT17	diabetes:db/db | time of day:ZT17	diabetes:db/db | time of day:ZT5	diabetes:db/db | time of day:ZT5	diabetes:db/db | time of day:ZT5	diabetes:db/db | time of day:ZT5	diabetes:db/m | time of day:ZT17	diabetes:db/m | time of day:ZT17	diabetes:db/m | time of day:ZT17	diabetes:db/m | time of day:ZT5	diabetes:db/m | time of day:ZT5	diabetes:db/m | time of day:ZT5	diabetes:db/m | time of day:ZT5	diabetes:db/m | time of day:ZT5
10-heptadecenoate (17:1n7)	10Z-Heptadecenoic acid	1.0377	1.0927	0.8955	0.5183	1.3593	1.7344	0.4816	0.8193	0.4363	0.4770	0.9409	0.6609	0.9434	0.7485	0.9088
10-nonadecenoate (19:1n9)	Nonadeca-10Z-enoic acid	1.0645	0.9192	0.8005	0.5080	1.2052	1.3676	0.6310	0.7998	0.4771	0.4860	0.8091	0.6852	0.8100	0.7498	0.8326
12_13-DiHOME	12,13-DiHOME	1.5642	1.3320	1.3725	0.7405	0.7326	2.1427	1.3279	1.6216	1.0580	0.9225	0.9811	0.7778	0.8744	1.3243	1.0615
1_2_3-benzenetriol sulfate (2)		1.6860	1.6700	14.3147	0.2706	0.2706	3.1644	6.0066	0.2706	0.9967	1.0033	0.7813	0.8667	0.9942	0.2706	0.2706
12-dehydrocholate	12-Ketochenodeoxycholic acid	0.0528	0.0528	0.0528	0.0528	0.4459	0.0528	0.3959	0.0528	0.0528	0.0528	0.0528	0.0528	0.0528	0.0528	0.0528
12-HEPE	12-HEPE	3.2247	1.0144	1.0618	0.5965	0.7663	5.0395	0.7058	0.2480	0.2813	0.2158	1.6846	1.0613	2.1514	0.5039	2.0004
12-HETE	12-HETE	1.8334	0.9402	1.3229	0.4853	0.6330	3.4948	0.6550	0.5717	0.5350	0.5949	1.5363	1.1416	2.6941	0.5690	2.6089
12-HHTrE	12S-HHTrE	1.5265	4.3003	6.0137	0.6412	0.9926	2.7057	2.0129	3.6862	2.9511	5.5951	0.3164	0.2823	0.5010	1.3478	6.0833
13-HODE + 9-HODE	HODE	2.4119	2.0982	1.6911	0.5529	1.0398	10.6136	0.7638	0.7921	0.7607	0.6317	0.8900	0.8559	1.5372	0.9602	1.4529
13-methylmyristate (i15:0)	Isopentadecylic acid	0.5156	0.6595	0.4620	0.6033	0.7507	0.8094	0.6273	0.9373	0.4300	0.6255	1.0563	0.9623	1.1289	0.5766	0.6317
14-HDoHE/17-HDoHE		1.4180	0.7331	0.9484	0.7115	0.6363	9.1386	0.6298	0.5969	0.3992	0.2932	2.0668	1.8155	3.1904	1.1600	2.5258
1_5-anhydroglucitol (1_5-AG)	1,5-Anhydrosorbitol	0.0120	0.0104	0.0964	0.0805	0.0318	0.0292	0.0518	1.2101	1.2978	1.2884	1.0074	1.0942	1.0823	1.3728	1.2861
15-HETE	15-HETE	1.4971	1.4942	1.6159	1.4105	0.9452	14.3382	1.1618	0.6651	0.5356	0.8158	0.3650	0.3650	0.3650	0.8374	0.3650
15-methylpalmitate (i17:0)	15-Methylpalmitic acid	0.7072	0.8142	0.7052	0.5691	1.0661	1.1577	0.6631	0.8879	0.6230	0.5899	0.9198	0.9039	1.0140	0.9476	0.9413
16-hydroxypalmitate	Juniperic acid	0.8115	1.0178	0.8351	0.4899	0.9822	1.1883	0.4204	0.8208	0.3460	0.5967	0.8906	0.5025	0.6876	0.6354	0.7072
17-methylstearate (i19:0)	Xi-17-Methyloctadecanoic acid	0.7855	0.8781	0.7226	0.5226	1.0025	0.7429	0.6912	1.1469	0.9934	0.8233	0.8466	0.9879	0.9262	1.4641	1.1692
1-arachidonoyl-GPI (20:4)	LPI 20:4/0:0	0.6100	0.6962	0.6622	0.6833	1.7974	1.1878	0.8058	0.3915	0.3381	0.2602	0.5026	0.4429	0.4427	1.0892	1.1369
1-arachidonylglycerol (20:4)	MG 20:4	1.9894	1.8852	2.5181	0.9235	1.0089	0.5626	0.8870	0.9802	0.9341	1.1518	0.4381	0.3728	0.3464	0.9911	0.8024
1-dihomo-linolenylglycerol (20:3)	MG 20:3/0:0/0:0	2.8273	2.3526	3.2662	0.5862	0.7039	1.4995	1.1656	0.4994	1.5811	1.0030	0.6621	0.3654	0.5041	0.9258	0.8995
1-dihomo-linoleoylglycerol (20:2)	MG 20:2	1.8537	1.9616	1.1972	0.1802	0.7780	0.4604	1.4447	1.1599	1.1334	1.9980	0.6076	0.6396	0.4724	0.7840	0.6149
1-linolenoylglycerol (18:3)	MG 18:3	4.0071	6.0237	3.4746	0.3408	0.4426	0.8422	1.5196	1.2757	3.4927	3.5674	0.6375	1.0358	0.4188	1.0828	0.5691
1-linoleoylglycerol (18:2)	MG 18:2	2.8823	3.9370	2.3146	0.2625	0.6019	0.7985	1.4414	1.0952	2.0875	2.3527	0.7620	0.7284	0.4268	0.6291	0.4408
1-linoleoyl-GPG (18:2)	LPG 18:2/0:0	0.8168	1.3231	0.5872	1.0370	1.3994	1.1693	5.8987	0.7264	0.7288	0.6458	0.8322	0.5563	0.8352	1.2595	1.2928
1-linoleoyl-GPI (18:2)	LPI 18:2/0:0	1.2657	0.9608	0.8308	0.7804	1.0134	1.0997	1.2017	0.9866	0.8985	0.7165	0.9798	0.8419	0.9777	3.3001	3.3100
1-linoleoyl-GPS (18:2)	LPS 18:2	1.4484	2.3755	0.6408	1.6962	1.0281	4.3230	0.3067	0.6296	0.7793	0.9695	1.3126	1.8049	4.3667	0.4709	1.0029
1-methylhistidine	1-Methylhistidine	0.2111	0.2176	1.0172	2.8919	0.5454	0.2765	0.7426	1.3774	1.3361	1.5246	1.0963	1.0054	1.1243	1.0413	0.9946
1-oleoylglycerol (18:1)	MG 18:1/0:0/0:0	3.5342	3.0033	3.6900	0.3599	1.2924	1.2065	0.8890	0.4398	1.0470	0.9420	0.5292	0.4452	0.3120	0.3389	0.2389
1-oleoyl-GPG (18:1)	LPG 18:1/0:0	1.4546	0.1657	1.2190	1.5470	1.3508	0.9758	5.5299	0.9253	0.6171	0.6691	0.2838	0.6244	0.4951	0.8762	0.3521
1-oleoyl-GPI (18:1)	LPI 18:1/0:0	2.0139	0.8855	1.7452	0.7436	1.1956	0.9303	0.8788	0.6490	0.6849	0.4349	0.5991	0.5181	0.5711	1.7504	1.9223
1-palmitoleoylglycerol (16:1)	MG 16:1	6.7364	1.7093	6.0337	0.2560	0.8581	0.7737	0.4692	0.5147	1.2304	1.3119	0.5951	0.4927	0.2560	0.3566	0.6031
1-palmitoyl-GPG (16:0)	LPG 16:0/0:0	1.4145	1.4002	1.1595	1.0454	1.0016	1.0547	1.7238	0.8476	1.1095	0.9943	0.8552	0.7623	0.8550	1.1859	1.3061
1-palmitoyl-GPI (16:0)	LPI 16:0/0:0	2.1424	0.8557	1.7805	1.1216	0.9177	0.7011	0.8812	0.8447	1.0323	0.6133	0.5660	0.5480	0.5741	1.7565	2.4608
1-stearoyl-GPG (18:0)	LPG 18:0/0:0	0.9617	1.6422	0.9880	2.3085	2.6407	1.5331	2.9599	0.5456	0.4497	0.6491	0.4497	0.4497	0.4497	1.3935	1.2303
1-stearoyl-GPI (18:0)	LPI 18:0/0:0	0.9943	1.0409	1.3837	1.1734	1.5854	0.9097	0.8500	0.7891	0.6973	0.5003	0.4447	0.4151	0.4301	1.1254	1.2352
2-(4-hydroxyphenyl)propionate	4-Hydroxyphenyl-2-propionic acid	4.0614	3.0946	3.0454	0.5590	1	1.2892	1.4570	0.9107	1.7021	1.6195	0.8984	0.8360	0.5968	1.2797	1.3200
2_8-quinolinediol sulfate		1.1425	2.0131	0.3071	0.9926	1.5887	1.0215	1.6166	1.0748	0.5994	1.0074	0.3351	0.5453	0.5411	0.9528	0.8839
2-aminoadipate	alpha-Aminoadipic acid	1.2273	1.1021	1.1212	0.8351	0.5692	0.9837	0.6424	0.8928	1.5474	1.3032	0.5835	0.9120	1.1200	1.8467	1.9819
2-aminooctanoate	2-Aminocaprylic acid	0.9003	0.7510	1.0010	0.7588	0.5393	0.3859	0.9994	1.3279	1.0477	0.8559	1.0061	0.7841	0.8600	1.0588	1.3215
2-aminophenol sulfate	2-Aminophenyl sulfate	2.5611	3.0405	2.5483	1.0586	1.1533	1.8021	0.9227	2.0232	2.2391	2.0915	0.5589	0.6132	0.5347	1.4034	0.9414
2^-deoxyuridine	Deoxyuridine	1.4359	0.5736	1.0603	1.4821	0.5191	0.3710	2.5930	1.2342	1.1863	1.0307	1.2480	1.3104	1.4480	1.4945	1.4680
2-hydroxy-3-methylvalerate	2-Hydroxy-3-methyl-pentanoic acid	0.7177	0.8178	1.2620	0.6498	1.8464	1.2219	1.0097	0.3833	0.5116	0.4579	0.4883	0.4957	0.4714	0.5220	0.6299
2-hydroxydecanoate	2-Hydroxycapric acid	1.3427	1.6070	1.5146	0.9394	1.3218	0.7980	1.5177	0.9223	0.7648	0.5344	0.6100	0.6016	1.0320	1.0074	0.9926
2-hydroxyoctanoate	2-Hydroxyoctanoic acid	0.8044	1.1149	1.2567	0.6125	1.0659	1.1183	1.1242	0.8116	1.1456	0.6475	2.7856	1.6448	0.6270	1.0195	1.1276
2-hydroxypalmitate	2-Hydroxypalmitic acid	0.7446	0.8850	0.7386	0.6696	0.9140	1.0334	0.7998	0.8502	0.6521	0.5679	0.6493	0.6658	0.7021	1.0629	1.1452
2-hydroxystearate	2-Hydroxystearic acid	0.9236	0.8841	1.0007	0.6927	0.9993	0.8827	0.7384	0.7524	0.6875	0.4766	0.5948	0.6008	0.6291	1.0074	1.0906
2-linoleoylglycerol (18:2)	MG 18:2	2.6245	3.7193	2.1172	0.1846	0.5221	1.2299	2.0840	0.9976	2.0696	2.3012	0.7868	0.6160	0.4320	0.5574	0.3528
2-methylbutyrylglycine	2-Methylbutyrylglycine	0.7223	0.8679	0.8866	0.6811	1.0991	1.1112	0.2620	0.8138	0.8066	1.3177	0.8058	1.6642	0.8570	1.1173	0.9912
2-methylcitrate/homocitrate	Homocitric acid	0.9101	1.0239	0.8440	1.6519	1.0055	0.9945	0.9795	1.2369	1.2015	1.2257	0.7209	0.5120	0.7795	1.7029	1.5992
2-oleoylglycerol (18:1)	MG 0:0/18:1(9Z)/0:0	2.9827	2.7379	3.7252	0.3575	0.7780	2.6648	1.2034	0.2281	1.1378	1.0368	0.5471	0.2683	0.5084	0.2619	0.3015
2^-O-methyluridine	2'-O-Methyluridine	0.8329	0.4484	0.4254	1.2712	1.2676	0.4525	9.2735	0.7227	1.0276	0.9785	0.9398	0.9340	1.1563	1.8533	2.0960
2-palmitoleoyl-GPC (16:1)	LPC 0:0/16:1	1.7443	0.8042	2.0071	0.9515	2.9231	1.2858	1.1389	0.5233	0.5698	0.3537	0.4272	0.5741	0.7206	0.9166	1.2997
2-palmitoyl-GPC (16:0)	LPC 0:0/16:0	1.3161	1.1469	1.2721	0.9719	1.7737	1.1258	1.2561	1.0225	0.9775	0.7901	0.5926	0.6190	0.6616	1.5883	1.6889
2-stearoyl-GPE (18:0)	LPE 0:0/18:0	1.9660	1.7007	1.4208	2.2646	1.5497	1.0561	1.1172	1.1916	1.2337	1.0696	0.5197	0.6831	0.6911	0.7256	0.7987
3-(3-hydroxyphenyl)propionate	3-(3-Hydroxyphenyl)propanoic acid	19.0037	2.6529	5.6072	0.1493	0.9009	1.1204	1.4081	2.1335	1.9805	2.1710	0.4574	0.1493	0.8998	0.5971	0.7420
3-(3-hydroxyphenyl)propionate sulfate	3-(3-Sulfooxyphenyl)propanoic acid	20.4496	2.7581	5.6800	0.4197	1.3414	2.5423	1.4642	1.0668	1.4484	2.1938	0.6630	0.6011	0.6637	0.8147	0.8206
3-(4-hydroxyphenyl)lactate	Hydroxyphenyllactic acid	0.9870	1.0130	1.4197	0.1730	0.7963	1.3775	1.1655	0.7061	1.1602	1.1241	0.8114	1.1497	0.9499	1.0895	0.9137
3-(4-hydroxyphenyl)propionate	Desaminotyrosine	21.2524	1.2925	2.4228	0.3228	1.1918	1.0685	1.1853	0.8593	1.7671	1.5027	0.9657	0.3228	0.3957	0.5815	0.4472
3_4-methylene heptanoylglycine		1.3504	1.1563	1.6254	1.1176	0.6782	1.7434	1.3496	2.0546	0.9050	0.9669	1.5761	2.1783	1.7812	1.0387	1.0420
3-acetylphenol sulfate	3-Acetylphenol sulfate	5.1179	0.1451	0.3795	0.1303	0.3976	1.0695	0.1303	3.1244	1.7401	1.0317	1.5719	3.1846	0.9315	1.2767	1.3947
3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-Cmpfp)	3-Carboxy-4-methyl-5-pentyl-2-furanpropanoic acid	1.4394	1.1764	1.2453	1.1875	1.1558	1.2337	1.2099	0.8093	0.8250	0.1837	0.1837	0.6602	0.4809	0.1837	0.5173
3-dehydrocholate	3-Dehydrocholic acid	0.0965	0.0965	0.0965	0.0965	2.4227	0.1264	1.7648	0.0965	0.0965	0.0965	0.0965	0.0965	0.0965	0.0965	0.0965
3-hydroxy-2-ethylpropionate	2-Ethyl-hydracrylic acid	0.5853	1.6252	1.4796	1.8402	3.1817	1.5013	0.9011	0.5012	0.6309	0.6582	0.4690	0.4841	0.4605	0.5199	0.5565
3-hydroxybutyroylglycine		0.6912	1.0465	0.8753	0.4215	0.9749	2.0723	0.8241	0.6134	1.1291	1.1611	1.5026	0.8709	1	0.9542	0.7564
3-hydroxydecanoate	3-Hydroxydecanoic acid	1.6686	0.7419	0.6967	1.1132	1.2833	0.8431	0.9525	1.0446	0.3825	0.4728	1.6944	0.6268	0.8411	0.3898	0.4106
3-hydroxyhexanoate	3S-Hydroxyhexanoic acid	1.2128	0.7339	0.7894	0.9158	1.1117	1.0203	0.9479	0.9797	0.4820	0.5324	1.6064	0.7021	0.7903	0.4267	0.5436
3-hydroxylaurate	3-Hydroxydodecanoic acid	1.4240	0.6505	0.5904	1.1415	1.2773	0.9567	0.7005	0.8448	0.2904	0.3897	1.4398	0.4990	0.5974	0.3248	0.4022
3-hydroxymyristate	3-Hydroxytetradecanoic acid	1.3402	0.7957	0.6631	0.9910	1.1661	1.0090	0.9828	0.8603	0.4653	0.4775	1.5619	0.6265	0.7229	0.5151	0.6000
3-hydroxyoctanoate	3-Hydroxyoctanoic acid	1.3920	0.7816	0.7443	1.2129	1.2476	0.9055	0.8915	0.9490	0.3086	0.4489	1.8925	0.6670	0.8254	0.3799	0.4235
3-hydroxypalmitate	3-Hydroxyhexadecanoic acid	1	0.7073	0.9184	0.7874	1.0186	0.9698	1.0513	0.7667	0.5413	0.6221	0.9584	0.6020	0.8936	0.7191	0.7464
3-hydroxypyridine sulfate	3-Hydroxypyridine sulfate	0.8857	0.6167	0.6493	0.8716	1.6065	1.4759	2.8688	0.6519	1.7497	1.9505	0.7753	1.2060	0.6852	1.8166	0.9101
3-hydroxysebacate	3-Hydroxysebacic acid	0.5154	0.9856	0.8604	0.5287	1.8330	1.0776	0.5525	0.2787	0.2787	0.4682	0.4646	0.3548	0.2787	0.3362	0.2787
3-hydroxystearate	3-Hydroxystearic acid	0.9716	0.7492	1.0052	0.9948	0.9799	0.6262	0.9623	1.0893	0.7006	0.7979	0.9422	0.8467	0.9204	1.1877	0.9851
3-indoxyl sulfate	Indoxyl sulfate	0.9392	0.8232	0.9405	0.4924	1.5214	0.8093	1.1809	0.9657	1.3848	0.9699	0.7404	1.0043	0.5416	0.8977	0.7435
3-methoxycatechol sulfate (2)		0.4369	1.1203	1.5108	0.4369	0.9904	1.5084	0.7320	1.7285	1.5540	1.0675	0.4544	0.4815	0.4536	1.6638	0.7405
3-methyl-2-oxovalerate	3-Methyl-2-oxovaleric acid	0.7941	2.1452	0.9984	0.4137	1.5652	1.2900	0.7264	0.8338	1.0764	1.3216	1.0001	0.9952	0.6931	0.6986	1.0020
3-methyl catechol sulfate (1)		0.2056	0.2045	0.2045	0.5061	1.7573	1.5264	1.6660	0.3262	3.6555	1.8059	1.2132	1.8297	1.3053	1.6483	0.7570
3-methylhistidine	3-Methylhistidine	0.3849	0.3025	1.2547	0.8345	0.8356	0.1796	1.0315	1.1288	1.2192	1.4054	1.7428	2.0714	1.3901	0.8811	0.7387
3-phenylpropionate (hydrocinnamate)	Hydrocinnamic acid	0.0276	3.6457	1.8521	0.5015	1.1436	0.8668	1.3843	1.4565	2.4574	3.0753	0.6987	0.4413	0.6475	1.5443	1.5785
3-phosphoglycerate	3-Phosphoglyceric acid	0.9066	1.6677	0.4430	0.4743	0.1074	9.3437	0.4587	1.2491	0.8563	1.9131	14.6562	12.6533	29.3869	0.3304	0.9941
4-acetylphenol sulfate	4-Acetylphenyl sulfate	1.3101	0.9838	0.7517	0.2414	0.5849	1.2795	1.1703	0.7619	1.7272	1.0162	0.5554	2.0416	1.1927	0.5335	0.2414
4-allylphenol sulfate	4-Allylphenol sulfate	0.6820	0.6484	1	0.3924	2.0107	0.8300	0.3924	0.5064	0.4937	0.5596	0.3924	0.3924	0.3924	0.3924	0.4747
4-ethylphenol glucuronide		0.4576	5.2442	3.7829	4.7137	5.3082	4.0287	4.6325	1.7089	0.4163	0.2514	1.2811	0.5560	1.1131	0.6581	0.4181
4-ethylphenylsulfate	4-Ethylphenol	0.4924	6.2288	3.8732	3.0673	6.5053	3.3317	5.0529	1.4265	0.2870	0.1589	0.9432	0.5807	0.7174	0.6051	0.2386
4-hydroxybenzoate	4-Hydroxybenzoic acid	0.2114	0.6427	1.0383	0.2114	0.2114	224.4172	1.1365	0.2114	0.4477	0.5854	905.4740	630.2469	526.1836	0.2114	0.2114
4-hydroxycinnamate	cis-p-Coumaric acid	3.2160	1.4253	2.3894	0.4696	0.7272	1.4719	7.7175	0.7167	4.2940	2.4445	1.0070	1.2726	1.6453	2.4144	1.8260
4-hydroxycinnamate sulfate	4-Hydroxycinnamate sulfate	2.5310	1.0781	4.2674	0.4286	0.6513	2.0491	4.1276	0.1618	0.7465	0.2190	0.9219	1.2088	1.1650	0.1618	0.1618
4-hydroxyhippurate	4-Hydroxyhippuric acid	2.6085	0.7545	1.3253	0.9086	0.9196	2.0803	1.1870	0.6435	1.8814	0.7706	0.4827	1.1436	0.9144	1.5481	1.1746
4-hydroxyphenylacetate	4-Hydroxyphenyl acetate	1.3045	1.2181	1.5408	0.3887	0.3887	0.8355	0.3887	0.9729	1.5947	1.1375	0.4197	1.4261	0.3887	0.9602	0.5154
4-hydroxyphenylacetate sulfate		0.6042	0.8344	0.9849	0.4700	1.8053	1.2641	1.0582	0.3213	1.0332	0.7317	0.7450	1.5468	1.0671	0.6405	0.3914
4-hydroxyphenylpyruvate	4-Hydroxyphenylpyruvic acid	1.5934	1.5105	3.0896	0.3590	0.5563	1.3176	4.3607	0.7963	3.5855	3.3243	1.3335	1.4781	1.4143	1.3287	1.1570
4-methoxyphenol sulfate	4-Methoxyphenol sulfate	1.4141	1.8929	1.2825	0.1811	0.9917	1.3721	0.7251	0.6657	1.0083	0.9868	0.1811	0.4915	0.7134	0.6782	0.4376
4-methyl-2-oxopentanoate	Ketoleucine	0.8540	2.4363	0.9090	0.3356	1.3981	1.6454	0.6746	0.8060	1.4628	1.6551	1.0081	0.9912	0.8065	0.7172	1.0558
4-methylcatechol sulfate		1.5993	1.5056	1.1947	0.5858	1.1552	0.8839	0.5268	1.1931	1.7067	1.1370	0.7835	1.5777	0.6213	0.6166	0.5271
4-vinylguaiacol sulfate	4-Vinylguaiacol sulfate	1	0.4877	0.9999	0.1977	0.5865	1.0088	4.5138	0.3379	4.3199	2.0898	1.4095	2.3657	1.9949	3.6604	1.5422
4-vinylphenol sulfate	4-Hydroxystyrene	2.2333	0.9452	1.2096	0.4367	1.3927	1.0548	4.9912	0.6765	3.0992	2.4534	0.9231	1.3454	1.5972	2.3774	1.9313
5_6-dihydrouracil	Dihydrouracil	0.8282	0.2241	0.2241	0.2241	0.2241	0.2241	0.4451	0.9929	1.0860	1.0738	1.0104	1.8374	1.3108	0.2241	0.9827
5_6-dihydrouridine	5,6-Dihydrouridine	0.5706	0.5728	1.2419	1.3732	1.0272	0.9075	2.5504	1.1223	0.9295	0.7962	0.8371	1.1036	0.8818	1.3315	1.4705
5-dodecenoate (12:1n7)	5-Dodecenoic acid	0.7513	0.6995	1.0144	0.8045	0.8161	0.9856	0.9271	1.2725	0.2562	0.3843	1.3888	0.7139	0.8888	0.4082	0.5195
5-hydroxyhexanoate	5-Hydroxycaproic acid	0.8221	1.6296	1.0412	0.8618	0.5391	0.7032	0.7354	1.3975	1.0112	1.2767	0.7166	0.5211	0.6601	1.0020	1.0449
5-hydroxyindoleacetate	5-Hydroxyindoleacetic acid	1.5407	0.6521	0.9855	0.4868	1.5070	1.7850	1.2381	1.0414	0.8610	0.8002	0.1459	0.2822	0.1818	2.5912	2.8297
5-methyluridine (ribothymidine)	Ribothymidine	1.0661	0.7074	0.9571	1.5834	1.1192	1.6646	17.3766	0.8953	0.5482	0.5662	1.2406	1.1854	1.2611	1.8564	2.0917
5-oxoproline	Pyroglutamic acid	0.9893	1.0390	1.0334	1.7435	1.1210	1.3631	2.6961	0.9899	0.9209	0.8772	0.7632	0.7829	0.7967	1.2962	1.3055
6-hydroxyindole sulfate	6-Hydroxyindole sulfate	1.1165	1.1798	1.3049	0.5410	1.4922	0.5434	0.8691	0.5522	1.3663	1.0312	0.6284	0.9095	0.4499	0.6330	0.6163
6-oxopiperidine-2-carboxylate	6-oxopiperidine-2-carboxylic acid	1.6081	1.0546	1.6904	0.4373	0.4783	0.6690	1.3871	0.7425	2.2501	2.1400	0.9660	1.0996	1.6357	2.3871	1.7728
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)	7alpha-Hydroxy-3-oxo-4-cholestenoic acid	1.9810	0.9384	2.0927	0.4961	0.7828	0.4887	0.6395	1.8034	1.5241	1.2240	0.7211	0.4342	0.6951	1.2096	1.1995
7-ketodeoxycholate	7-Ketodeoxycholic acid	0.1713	0.0926	0.1783	0.0926	1.2610	0.1580	2.3859	0.0926	0.3458	0.5323	0.6370	0.3695	0.7125	0.0960	1
9_10-DiHOME	9,10-DiHOME	1.4859	1.1264	1.0296	0.7099	0.7006	1.9456	1.5869	1.0590	1.0169	0.9333	0.5415	0.6485	0.6873	1.1248	0.9965
aconitate [cis or trans]	cis-Aconitic acid	0.7772	0.8720	0.7874	0.7815	0.7677	1.3430	1.3516	0.9150	0.7227	0.9845	1.0016	1.2799	1.0800	0.9541	0.9984
adenosine	Adenosine	1.2207	1	1.1237	1.0284	0.9158	0.8111	0.9773	1.4140	6.1890	17.9150	0.5805	0.5431	1.2992	1.1788	1.9401
adrenate (22:4n6)	Adrenic acid	1.7663	1.6051	2.1249	0.8623	1.6535	1.8459	1.0488	0.5400	0.8718	0.7418	0.6289	0.6137	0.7182	1.0208	1.1930
alpha-hydroxyisocaproate	2-Hydroxyisocaproic acid	0.8229	0.8169	1.0363	0.3980	1.0240	1.0032	0.7366	0.6674	0.9968	0.8994	0.8255	0.8048	0.9021	0.8698	0.9785
alpha-hydroxyisovalerate	2-Hydroxy-3-methylbutyric acid	0.7314	0.8633	1.3666	0.7494	1.3519	1.0219	0.7704	0.7915	0.7418	0.6839	0.6999	0.6985	0.6758	0.8359	0.9629
alpha-muricholate	alpha-Muricholic acid	0.1917	0.1917	0.1917	0.1917	2.9595	0.5392	1	0.1917	0.1917	0.1917	0.1917	0.1917	0.1917	0.1917	0.1917
arachidate (20:0)	Arachidic acid	1.0150	1.0289	1.1480	0.7738	0.8069	1.5959	0.9573	1.1165	1.2995	0.9921	1.0791	0.8353	0.9611	1.5276	2.0908
arachidonate (20:4n6)	Arachidonic acid	1.0706	1.4623	1.4854	0.9294	1.5685	1.9406	0.5901	0.7485	0.8369	0.7257	0.5850	0.5532	0.5761	1.3370	1.4590
azelate (C9-DC)	Azelaic acid	1.0844	1.5138	1.0068	1.2170	1.3393	1.1759	1.0345	0.6467	0.5177	0.4278	0.4589	0.5752	0.6152	0.7842	0.5891
benzoate	Benzoic acid	0.9318	1.7659	2.9589	1.0731	1.1004	1.0439	1.1497	0.9304	0.7406	0.9036	0.6376	0.8766	0.7843	0.7036	1.0333
beta-citrylglutamate	Beta-Citryl-glutamic acid	0.3531	1.7178	0.3531	0.3721	0.3531	0.3531	0.3531	0.3531	0.6756	0.8107	0.3531	0.3531	0.3531	0.5622	0.3531
beta-hydroxyisovalerate	3-Hydroxyisovaleric acid	1.2112	1.7609	1.1007	1.0923	1.3828	1.1449	1.2508	0.6020	0.9728	0.9882	0.6466	0.7579	0.6514	0.7032	0.7342
beta-muricholate	beta-Muricholic acid	0.9466	0.0511	0.3794	0.0740	1.2894	0.4117	6.7060	0.1025	0.2608	0.6476	0.6774	0.4726	0.5523	0.1581	0.9398
biopterin	Biopterin	0.9634	1.7591	1.8446	1	0.3300	1.3187	6.6487	1.7587	2.3045	1.6912	0.7619	1.3107	1.5304	1.2909	1.7201
butyrylglycine	N-Butyrylglycine	1.5449	2.0354	1.4460	0.7116	1.0705	1.4432	0.5491	0.9226	0.6832	0.7360	0.6470	0.6863	0.5916	1.4180	1.1231
caprate (10:0)	Capric acid	0.9382	1.1121	0.9380	1.0235	0.9441	1.1378	1.2757	0.9765	0.7724	1.3120	0.9063	0.7792	0.7693	0.8872	0.9480
caproate (6:0)	Caproic acid	1.6239	1.4839	1.2027	0.7907	0.5975	1.5067	1.4932	1.2761	1.1646	1.5406	0.6466	0.4781	0.6628	0.5499	1.0053
caprylate (8:0)	Caprylic acid	1.4407	1.6900	1.0605	0.9009	0.7132	1.1448	1.7298	1.4378	1.1976	1.4291	0.4548	0.4275	0.5765	0.5750	1.1557
catechol sulfate	Catechol sulfate	2.1382	2.1131	1.8021	0.9147	1.1417	1.3672	0.9418	1.3779	1.8717	1.6607	0.9394	0.9990	0.5890	1.0953	1.0010
C-glycosyltryptophan	C-Glycosyltryptophan	0.6161	0.7402	1.1010	1.1353	0.4586	1.5922	0.9534	1.0165	0.9232	0.9990	1.0454	1.3239	1.4612	0.9539	0.9815
cholate	Cholic acid	0.0632	0.0283	0.0659	0.5913	26.1225	2.1468	19.0821	0.0259	0.0541	0.2204	0.1517	0.1742	0.1090	0.0792	0.3137
cinnamate	trans-Cinnamic acid	0.0421	3.0979	1.3617	0.6384	0.9903	1.5835	1.1282	0.7564	1.8920	3.0127	1.0047	0.8283	1.2253	0.9388	1.4105
cinnamoylglycine	Cinnamoylglycine	0.0303	1.3133	0.5672	0.2750	0.3559	0.5965	0.2159	1.5908	2.9609	3.2240	2.0671	2.7489	3.8209	2.0354	3.6456
citrate	Citric acid	0.8465	0.8622	0.9941	0.7007	0.8427	1.2480	1.1985	0.9788	0.8387	0.9599	0.8325	1.1187	0.8626	0.9451	1.0211
corticosterone	Corticosterone	1.2894	1.6522	1.0835	1.5925	1.3975	1.6192	0.5236	0.2098	0.2992	0.3331	0.6667	0.6584	0.6532	0.2633	0.1246
creatine phosphate	Phosphocreatine	0.5978	1.0744	0.1906	0.9820	0.1816	1.2159	0.5728	0.6027	0.5230	0.9844	1.7130	1.7520	1.4242	0.3742	0.5783
daidzein	Daidzein	0.7137	0.7416	1.3910	0.3928	1	1.9696	2.5488	0.8392	2.0307	1.5482	0.4734	0.3615	0.8006	3.7297	1.9429
daidzein glucuronide	Daidzein 7-O-glucuronide	1.0805	1.1178	1.5822	0.3980	0.7091	2.6935	1.7938	0.4299	1.4897	1.0415	0.6676	0.5402	0.9585	1.6869	0.9500
daidzein sulfate (1)		0.2391	0.2391	0.3979	0.2391	0.8327	1.0394	1.3578	0.2391	1.2701	1.2699	0.3209	0.2391	0.5377	2.3322	1.4172
daidzein sulfate (2)		0.9861	1	1.1742	0.3288	1.2489	1.8388	2.6850	0.6368	1.6588	1.5921	0.6940	0.6119	0.9884	2.2993	1.1698
dehydroisoandrosterone sulfate (DHEA-S)	Dehydroepiandrosterone sulfate	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
deoxycholate	Deoxycholic acid	1.3094	0.8967	0.4559	0.2656	1.2123	0.6068	1.4176	0.3380	0.1989	0.2322	0.1860	0.2602	0.2810	0.1680	0.1497
dihomo-linoleate (20:2n6)	11Z,14Z-Eicosadienoic acid	1.0666	1.2688	0.9797	0.5410	1.4914	1.8280	1.0586	0.5748	0.4499	0.4185	0.8308	0.5506	0.8732	1.0203	1.0566
dihomo-linolenate (20:3n3 or n6)	Dihomo-gamma-linolenic acid	1.2372	1.7582	1.2520	0.6339	1.4728	2.5269	0.6257	0.6264	0.6013	0.5706	0.7889	0.6198	0.8624	1.1366	1.3226
dihydrocaffeate sulfate (2)	Dihydrocaffeic acid 3-sulfate	8.7042	11.9535	28.6804	0.2963	1.3612	0.9267	0.6886	0.3114	0.7364	1.0148	0.2963	2.4713	0.2963	0.2963	0.2963
dihydroferulic acid	Dihydroferulic acid	0.9676	0.8992	1.3223	0.2509	3.2153	2.3298	0.3819	0.8800	1.3964	1.3935	0.5942	0.2440	0.4961	0.8061	0.9053
docosadienoate (22:2n6)	13Z,16Z-Docosadienoic acid	1.0795	0.7227	0.8362	0.9423	0.8878	1.0676	3.4317	0.9608	0.9191	0.8379	1.2210	0.6859	1.4261	1.9549	1.6089
docosahexaenoate (DHA; 22:6n3)	DHA	0.7026	1.0451	1.0057	0.9745	1.6134	1.7626	0.5772	0.5890	0.4675	0.3742	0.7926	0.7653	0.8460	1.6955	1.6886
docosapentaenoate (n3 DPA; 22:5n3)	DPA	2.1264	2.2278	1.5279	0.8148	1.3468	2.5356	0.8610	0.4708	0.5033	0.4685	0.7453	0.6079	0.7761	0.9447	1.4149
docosapentaenoate (n6 DPA; 22:5n6)	Docosapentaenoic acid (22n-6)	1.1069	0.8407	1.4852	0.5534	1.0884	1.0638	0.5537	0.6267	1.2127	0.9975	0.7279	0.4987	0.7212	1.6547	1.6082
docosatrienoate (22:3n3)	13,16,19-Docosatrienoic acid	0.9370	1.0578	0.8580	0.6691	1.2645	1.5586	2.6405	0.8097	1	0.9901	1.0797	0.5939	1.3401	1.8892	1.7992
docosatrienoate (22:3n6)	10Z,13Z,16Z-Docosatrienoic acid	4.3631	1.2983	7.2653	0.0962	2.9800	3.0031	1.5289	0.0284	0.4169	0.2696	0.4704	0.0284	0.2511	0.7821	0.6390
dodecadienoate (12:2)	Dodecadienoic acid	1.0042	1.0203	0.6871	1.0894	0.9958	1.0854	0.7741	1.3945	0.2186	0.3126	1.2586	0.5803	0.6925	0.5604	0.5975
dodecanedioate (C12-DC)	Dodecanedioic acid	0.5608	1.0726	0.9184	0.6330	1.2159	1.0431	0.9173	0.6839	0.3315	0.7082	1.0553	0.7306	0.7059	0.9569	0.6225
dodecenedioate (C12:1-DC)	Traumatic acid	1.4473	1.9674	1.4372	0.9840	1.7939	0.9563	1.8189	0.5423	0.6244	0.8086	0.5060	0.4721	0.7378	0.8856	0.8403
eicosanodioate (C20-DC)	Eicosanedioic acid	0.9252	1.1158	1.0551	0.6721	1.3580	1.4397	0.5061	0.6339	0.6155	0.5250	0.7892	0.3669	0.6579	0.8037	1.1888
eicosapentaenoate (EPA; 20:5n3)	EPA	1.5148	1.9413	1.4417	0.9640	1.6899	2.2633	0.5755	0.4708	0.6471	0.5373	0.5064	0.4645	0.4151	1.4380	1.9747
eicosenoate (20:1)	cis-Gondoic acid	0.9864	0.9937	1.3882	0.5186	1.6308	1.9736	0.5686	1.0244	0.6560	0.5910	1.1571	0.9191	1.0063	0.9396	1.1615
equol glucuronide		2.2347	2.3110	1.8421	0.4465	0.9821	1.3166	0.3639	1.0360	1.7258	1.4717	1.5834	1.2068	1.1487	1.5002	1.6921
equol sulfate		0.8668	1.7665	1.0685	0.7924	1.1221	1.1085	0.5148	3.0190	4.0616	3.3602	2.1225	1.3323	1.8736	3.2627	5.1802
erucate (22:1n9)	cis-Erucic acid	1.0188	0.7716	1.4692	0.7351	0.6362	2.2562	1.1023	1.0535	1.2096	0.6314	1.6157	0.9812	1.5028	1.6772	2.0429
ethyl glucuronide	Ethyl glucuronide	0.1811	0.3242	0.4142	0.1811	0.5009	3.1542	0.4812	0.1811	0.1843	0.4903	2.1106	8.4259	6.3885	0.2737	0.3289
ferulate	trans-Ferulic acid	1.3454	1.2455	1.7976	0.4029	1.3946	1.2793	3.5024	1.1947	3.6431	1.8684	0.7114	0.6815	0.9482	2.9363	1.8741
ferulic acid 4-sulfate	Ferulic acid 4-sulfate	1.3921	1.3166	2.3412	0.5109	1.1713	3.0237	2.0983	0.4408	1.0405	0.9035	0.7415	1.1149	1.0121	1.1251	0.7295
flavin adenine dinucleotide (FAD)	FAD	1.5322	1.4739	1.9100	2.4637	1.8266	2.1501	3.8519	0.8077	0.8402	0.8484	0.8670	0.8229	1.1818	0.6218	0.8855
genistein	Genistein	0.9042	0.9731	1.8226	0.2437	2.3422	2.5483	3.3918	0.7771	2.5522	2.2816	1.4319	0.4636	0.9942	3.5065	2.0774
genistein glucuronide		0.9768	1.1451	1.5104	0.1866	0.9446	2.7189	1.5940	0.2384	1.4022	1.0232	0.7280	0.5307	1.0304	1.6993	0.9131
genistein sulfate		0.9852	0.7500	1.0148	0.2254	1.3029	1.5831	1.9561	0.6277	2.1681	2.3053	0.7287	0.5479	1.0639	2.9533	1.5718
glucuronide of C10H18O2 (12)		1.7181	1.8997	1.7690	0.8632	0.9137	2.7405	1.3764	1.0082	0.5490	0.6170	0.9237	1.1676	1.1165	0.5897	0.7989
glucuronide of C14H22O4 (1)		2.7918	1.4372	1.7266	0.6259	1.2245	1.8274	0.6239	0.2845	0.1856	0.1856	0.1856	0.2129	0.1856	0.2352	0.1856
glucuronide of C14H22O4 (2)		1	1.3409	0.7052	0.3011	1.9863	1.4061	1.0138	0.3011	0.3011	0.3011	0.3011	0.3011	0.3011	0.3011	0.3011
glycerol	Glycerol	0.8792	0.9537	1.1431	1.1700	1.2845	1.1922	0.8999	1.0463	0.6938	0.5707	0.3372	0.2246	0.3656	1.2659	1.2613
glycine conjugate of C10H14O2 (1)		0.9713	1.0113	0.7081	0.4632	0.2311	0.2318	0.7162	2.0138	1.2416	1.0339	1.9735	2.2176	1.6880	1.0457	0.9822
glycocholate	Glycocholic acid	1.1865	0.1610	0.8169	0.1610	5.1626	0.8286	3.3515	0.1610	0.1610	0.1610	0.1610	0.6394	0.1610	0.1610	0.1610
guaiacol sulfate	Guaiacol sulfate	1.3155	1.4047	0.8939	0.3714	0.6706	1.4073	0.4772	2.5838	1.8925	1.5880	1.1130	1.5670	0.8093	1.2385	0.7750
heneicosapentaenoate (21:5n3)	6Z,9Z,12Z,15Z,18Z-Heneicosapentaenoic acid	0.9257	1.6858	1.2638	0.2117	1.8734	1.9518	0.3955	0.3102	0.7704	0.6941	0.5546	0.6948	0.5819	2.1240	2.0115
HEPES		0.1812	0.1330	0.1783	0.8638	0.9776	0.1330	0.9028	0.1795	0.1695	1.2632	0.1330	0.1330	0.1330	1.3987	0.8657
heptadecatrienoate (17:3)	Heptadecatrienoic acid	0.8880	1.6759	1.0474	0.4717	0.8011	2.3918	0.6134	0.8179	0.5845	0.7745	1.0014	0.9962	1.1125	1.1632	1.3309
heptanoate (7:0)	Heptylic acid	1.6992	1.4532	1.4317	0.6501	0.8179	0.5599	0.9553	1.3616	1.6032	1.5585	0.3970	0.5352	0.7313	0.7447	1.1973
hexadecadienoate (16:2n6)	7Z,10Z-Hexadecadienoic acid	0.7316	1.6458	0.7851	1.0522	0.8370	2.0224	1.2415	0.9326	0.2523	0.3825	1.1906	0.7175	1.0775	0.7543	0.7782
hexadecanedioate (C16-DC)	Hexadecanedioic acid	0.8249	0.9715	0.9986	0.6313	2.1604	1.6227	0.8154	0.5365	0.3641	0.4242	0.8104	0.5156	0.7429	0.6383	0.6193
hexadecatrienoate (16:3n3)	7,10,13-Hexadecatrienoic acid	0.9041	1.6985	0.7987	0.6093	0.7410	2.1275	1.4944	0.7765	0.3087	0.4517	1.1202	0.8163	1.0218	0.6078	0.6984
hexadecenedioate (C16:1-DC)		1.0147	0.5346	1	0.3124	1.9554	1.4281	0.5699	0.3124	0.3175	0.7358	0.6560	0.4753	0.7229	0.3759	0.5458
hexanoylglycine	Hexanoylglycine	0.3251	0.8409	0.6451	0.4668	0.6133	0.5908	0.1307	4.1573	0.6330	1.0110	2.7946	2.6475	1.5457	0.7991	1.3734
hippurate	Hippuric acid	0.1045	2.8699	2.2944	1.8138	1.4963	2.2145	0.8146	0.9459	1.0545	1.1054	0.5793	0.7435	0.7910	1.0587	1.0541
histidine	Histidine	1.2798	0.9990	1.3096	0.3868	0.7613	0.6644	0.2356	1.0496	1.2648	1.3226	1.0010	1.0269	1.0955	0.9849	0.9284
homovanillate sulfate	Homovanillic acid	0.5219	1	1.3138	0.3523	1.2308	2.1047	0.3523	0.3523	0.3523	0.3523	0.7186	1.9970	0.3523	0.3523	0.3523
hydroquinone sulfate	Quinol sulfate	2.2443	3.6913	1.6990	1.1969	1.2370	2.3254	0.9749	0.6447	1	0.9062	0.2650	0.6393	0.2364	1.0062	0.5485
hypoxanthine	Hypoxanthine	1.0433	0.7346	0.0117	0.0117	0.0117	1.4216	1.2079	1.9384	1.7613	2.2004	0.0117	0.0117	0.0117	1.8667	1.9368
imidazole lactate	Imidazolelactic acid	0.3474	0.1087	1.9821	0.4527	0.4806	1.1513	0.1087	1.4802	1.3897	1.3047	1.2332	1.0440	1.4072	1.7315	1.6767
indole-3-carboxylic acid	Indole-3-carboxylic acid	0.9934	1.0295	1.0118	0.7028	1.1826	1.2572	1.1526	0.7483	0.6857	0.7573	0.5713	0.8078	0.7411	1.2170	1.6863
indoleacetate	Indoleacetic acid	1.7488	1.3148	1.9925	0.5480	2.3045	1.0268	2.5246	0.4152	1.2622	1.3477	0.9769	0.8148	0.7903	1.0904	1.0231
indoleacetylglycine	N-Indoleacetylglycine	1.2228	0.7648	1.3115	0.6285	0.8526	1.3024	1.1865	0.9427	2.0400	1.2650	1.4709	2.3023	1.3753	2.2870	2.3228
indoleacrylate	Indoleacrylic acid	1.6894	2.1474	2.3794	0.7561	2.8540	1.9617	2.4736	0.5792	0.8996	0.7607	0.4263	0.3233	0.3418	0.6602	0.5937
indoxyl glucuronide	Inodxyl glucuronide	0.5272	0.4358	0.6976	0.5323	0.6739	0.6441	0.7534	4.3032	7.0142	5.4963	3.2134	2.3669	1.8210	2.3686	2.5822
inosine	Inosine	9.7834	5.1932	0.1750	0.5030	0.5531	14.8020	2.1967	19.2442	17.2927	21.6559	0.0079	0.0079	0.0083	2.4702	2.6467
isobutyrylglycine	Isobutyrylglycine	1.3334	0.8507	0.6666	1.5540	5.6699	4.9405	0.1076	0.6736	0.9074	1.3889	0.1899	0.1787	0.2541	9.5583	8.3556
isocaproylglycine	Isocaproylglycine	0.3675	0.4729	0.4447	0.3675	0.4316	0.3730	0.3675	1.7852	0.6996	0.8732	2.0454	2.3821	1.9675	0.6907	1.0588
isovalerate (i5:0)	Isovaleric acid	0.8062	1.0966	0.5665	0.7332	2.3798	2.1094	0.2823	0.5219	0.7208	1.0712	0.1567	0.2134	0.1567	2.1784	2.8929
isovalerylglycine	Isovalerylglycine	1.2985	1.7965	1.2007	0.8925	2.2151	1.8738	0.4229	0.5649	0.8083	0.8833	0.6895	1.3112	0.8874	2.7296	2.8118
kynurenate	Kynurenic acid	1.4832	2.3261	1.9693	0.8099	0.7319	1.3953	1.0741	0.6969	1.8755	1.9973	1.1271	1.4806	1.4748	1.1078	2.1249
laurate (12:0)	Lauric acid	1.0561	0.9895	0.7643	2.4205	2.6879	0.8276	1.8671	0.8512	0.6949	2.0193	0.7035	0.6278	0.6490	2.8747	2.3746
linoleate (18:2n6)	Linoleic acid	0.9972	1.3427	0.9143	0.7462	0.9405	1.6907	0.7207	0.8969	0.6253	0.6672	0.9434	0.8892	1.0510	1.0068	1.0028
linolenate [alpha or gamma; (18:3n3 or 6)]	Octadecatrienoic acid	1.1024	1.5405	1.0506	0.4439	0.7338	1.8677	0.5959	0.9281	0.6095	0.6727	0.9380	0.8663	1.0551	0.9371	0.9487
linoleoyl ethanolamide	Linoleoyl-EA	0.7916	0.7911	0.7222	1.0065	1.0236	1.3345	1.6079	0.7317	0.6987	0.5134	0.5168	0.6568	0.7451	1.1429	1.3894
malate	Malic acid	0.6019	1.0351	0.5990	0.9614	1.0580	1.6948	2.0450	0.7104	0.9593	0.9811	0.9722	0.9359	0.9524	1.0882	1.1005
margarate (17:0)	Margaric acid	0.8570	1.2991	0.6986	0.7226	1.3045	1.5862	0.8675	0.9076	0.7758	0.7187	0.9184	0.8893	0.9720	1.3298	1.3295
mead acid (20:3n9)	ETrE(5Z,8Z,11Z)	2.3864	1.1196	3.2122	0.5572	2.3633	2.0157	0.5268	0.3622	0.5791	0.5240	0.4291	0.3068	0.4141	0.8036	1.1256
methyl-4-hydroxybenzoate	Methylparaben	0.0355	0.0426	0.0355	0.5863	0.0355	600.6135	0.0355	0.0355	0.0355	0.0355	3136.9055	2218.4753	2130.7917	1.7673	0.0355
methyl-4-hydroxybenzoate sulfate	Methyl-4-hydroxybenzoate sulfate	0.5450	0.4743	0.9743	0.1190	0.2353	9.1301	0.4281	0.2238	0.4695	0.2555	2.4231	2.0518	12.3615	0.3618	0.1190
methyl glucopyranoside (alpha + beta)	Methyl glucose	0.0258	0.0258	0.0258	0.0258	0.0258	0.0375	0.0258	1.0332	1.4910	1.2713	0.7179	0.8840	0.8689	1.0514	1.0093
myristate (14:0)	Myristic acid	0.6141	0.7877	0.7207	0.7679	1.0862	1.2383	0.6886	0.8721	0.4058	0.5624	0.9705	0.7504	0.8504	0.7757	0.8893
myristoleate (14:1n5)	Myristoleic acid	0.8199	0.9968	0.9494	1.1448	1.7014	1.6770	0.6495	0.9039	0.0981	0.1582	0.8744	0.4734	0.6464	0.2678	0.3078
N1-Methyl-2-pyridone-5-carboxamide	N1-Methyl-2-pyridone-5-carboxamide	0.7049	0.8915	1.8045	1.3136	2.4912	2.5276	0.4489	0.7349	0.5488	0.4001	0.7072	0.7952	0.6184	0.6289	0.6072
N-(2-furoyl)glycine	2-Furoylglycine	1.2461	0.2672	0.7392	0.3977	1.0697	1.9425	2.2333	0.1632	1.2189	0.8528	0.7480	1.6483	1.2868	1.3392	0.8204
N2_N5-diacetylornithine	N2,N5-Diacetylornithine	1.5330	1.6364	1.8145	1.2181	1.2203	1.2232	1.1966	0.6170	0.7589	0.7874	0.4842	0.6641	0.5837	0.9121	0.8302
N2_N6-diacetyllysine	N,N'-Diacetyl-lysine	1.4147	1.2674	1.7038	0.7987	1.0306	1.5792	2.5786	0.6148	2.2778	2.0958	0.6822	0.8309	0.8662	1.5780	1.6902
N6-carbamoylthreonyladenosine	N6-Carbamoyl-L-threonyladenosine	1.0035	0.8776	1.5085	1.5605	1.3489	1.0936	3.7233	0.9265	0.8701	0.7358	1.1289	1.1245	0.8630	1.0434	1.3026
N6-succinyladenosine	Succinyladenosine	0.9589	2.7529	1.4358	0.5997	0.3346	1.8205	1.1352	1.7755	3.1293	2.4693	1.0342	1.2666	1.5770	0.4337	0.8926
N-acetyl-2-aminooctanoate	N-Acetyl-2-aminooctanoic acid	0.9947	1.1064	1.8172	0.6904	0.4431	0.6006	0.9040	0.9549	1.2751	1.0053	0.9131	1.1786	1.1434	0.7042	1.0246
N-acetyl-beta-alanine	N-Acetyl-beta-alanine	0.8342	0.9782	1.2249	1.3056	0.9123	0.7833	1.8388	1.6302	0.5868	0.5868	0.8638	0.9630	0.9274	0.8056	0.6384
N-acetylcarnosine	N-Acetylcarnosine	0.3358	0.3358	0.3358	0.3358	0.3358	0.3358	0.3358	1.1726	1.2530	1.2564	1	1.4939	0.8068	1.1794	1.4186
N-acetylcitrulline	N-Acetylcitrulline	1.9784	1.1224	2.4948	0.8161	1.3414	1.1566	0.8811	0.9295	2.4285	1.8954	0.7954	1.0042	1.0745	0.9932	0.9788
N-acetylhistidine	N-Acetylhistidine	1.3683	0.6571	2.0127	1.0013	0.8742	0.9911	0.6751	0.7368	0.9337	0.9987	0.9290	1.2356	1.1476	0.6584	0.5860
N-acetylisoleucine	N-Acetylisoleucine	2.4824	2.6242	2.2924	0.5599	1.2730	1.5509	1.3977	0.8012	1.1604	1.3174	0.8033	0.9755	0.7033	0.9831	1.1721
N-acetylkynurenine (2)	N-Acetylkynurenine	1.8679	1.5727	2.7102	0.8274	0.5158	0.8220	0.8354	0.3702	1.2024	0.9324	0.5968	0.8427	0.9267	0.4965	0.8287
N-acetylleucine	N-Acetylleucine	4.1311	3.7547	3.4055	0.4161	0.6723	1.2309	1.1316	0.9641	2.0159	2.4416	0.7347	1.0251	0.8726	0.9749	1.0475
N-acetylmethionine	N-Acetylmethionine	1.5432	1.5351	1.2378	0.2439	0.3719	0.9408	1.5614	1.8104	2.8936	2.6556	0.9379	1.0666	1.1207	1.4427	1.8536
N-acetylmethionine sulfoxide	N-Acetylmethionine sulfoxide	1.7663	1.1555	1.8336	0.7040	1.3103	2.8426	4.3352	0.8522	5.2493	2.7114	0.5924	0.7354	0.9704	3.0114	2.2463
N-acetylphenylalanine	N-Acetylphenylalanine	1.0006	1.2727	1.1751	0.6470	0.9660	1.4164	1.1738	0.5558	0.8817	0.9023	0.5310	0.9325	0.7561	0.8400	0.8628
N-acetylpyrraline	Dehydroepiandrosterone	0.8659	0.3981	0.5584	0.9768	1.1522	2.4281	2.9082	0.4121	7.5645	6.9841	0.9651	1.5335	2.3009	3.9134	2.9189
N-acetyltaurine	N-Acetyltaurine	0.9551	0.8773	0.8070	0.7596	0.6605	1.9386	0.9329	1.0351	1.1902	1.5314	1.0111	1.3939	1.0550	1.0184	0.9031
N-acetylthreonine	N-Acetylthreonine	1.2770	0.6984	1.2760	0.7846	1.2200	1.2043	1.6502	0.7969	1.6097	1.5476	0.9361	1.0740	1.3642	2.0485	2.1774
N-acetyltryptophan	N-Acetyl-tryptophan	1.2880	1.7835	1.7585	0.7101	1.0996	1.1889	1.4571	0.8394	1.0702	1.1751	0.5246	0.8710	0.6818	0.9573	1.2057
N-acetyltyrosine	N-Acetyltyrosine	0.4233	0.6506	0.9567	0.2485	0.4304	1.1201	1.2834	0.7383	1.1497	1.1297	0.6823	1.9992	1.2468	1.4315	1.5663
N-acetylvaline	N-Acetylvaline	2.5085	2.4455	2.1424	0.7979	1.5095	1.9758	1.6022	0.9856	1.4736	1.7799	0.9257	0.9249	0.8842	1.4302	1.2315
N-delta-acetylornithine	N(5)-Acetyl-ornithine	1.3775	1.0525	1.2696	1.0466	1.3690	1.0251	1.2116	0.3348	0.7944	0.8004	0.3542	0.4516	0.5179	1.5118	1.2811
N-formylmethionine	N-Formylmethionine	0.9114	0.9034	0.8906	0.7945	1.2852	1.9184	1.8099	1.6756	1.9047	1.8380	0.9745	1.1468	1.1168	6.3464	4.6446
N-formylphenylalanine	N-Formylphenylalanine	0.9788	0.5881	0.5850	2.0101	5.3099	6.0080	0.4012	0.9799	1.0201	1.0868	0.2167	0.2372	0.2589	11.4396	9.7529
nisinate (24:6n3)	THA	1.0504	0.9956	1.0236	0.5072	1.3105	1.3501	1.0836	0.5319	0.6410	0.5981	0.7732	0.4632	0.7434	1.9921	2.0821
N-linoleoyltaurine	N-Linoleoyl taurine	0.8463	1.1045	0.6838	0.9034	1.0021	1.4710	1.0627	0.8339	0.5243	0.5771	0.6330	0.6213	0.8300	1.0431	0.9013
N-octanoylglycine	Capryloylglycine	0.2089	0.3176	0.2089	0.2089	0.2089	0.2089	0.2089	2.9501	0.2089	0.2821	1.2241	1	0.5002	0.2714	0.7199
N-oleoyltaurine	N-Oleoyl taurine	1.1146	0.9902	1.0748	1.1548	1.7003	1.5087	0.8135	0.4465	0.2493	0.2162	0.4444	0.4024	0.3852	0.5161	0.4373
nonadecanoate (19:0)	Nonadecylic acid	0.7659	1.0229	0.5652	0.5287	0.9224	1.0043	0.7526	1.3377	1.4311	1.1801	1.0604	1.1440	1.1920	2.1846	1.9218
N-palmitoyltaurine	N-Palmitoyl taurine	0.8688	0.9500	0.3909	1.2039	1.2900	1.5140	0.8437	0.5840	0.4867	0.4098	0.4899	0.7761	0.5065	1.1457	1
N-stearoyltaurine	N-Stearoyl taurine	1.4197	1.0522	1.1040	1.1758	1.2090	1.5704	1.5682	0.8529	1.1152	0.9266	0.8229	0.7594	0.7187	1.4094	1.5823
o-cresol sulfate	o-Cresol sulfate	0.3591	0.3591	0.3591	0.3591	0.4608	0.5412	0.3591	0.3591	0.3591	0.3591	1.0813	2.0853	1	0.3591	0.3591
octadecadienedioate (C18:2-DC)	Octadecanedioic acid	0.8965	0.8326	1.1090	0.3464	1.9038	1.3624	1.1022	0.6036	0.4025	0.4031	0.6894	0.4263	0.6265	0.8879	0.6125
octadecanedioate (C18-DC)	Octadecanedioic acid	0.5270	1.3393	0.9399	0.7003	1.6904	1.4239	0.6396	0.6651	0.6390	0.7323	0.7933	0.6777	0.8756	0.8146	0.6465
octadecenedioate (C18:1-DC)		0.6923	0.7133	0.4756	0.2220	1.4632	1.2719	0.5694	0.2190	0.2910	0.3609	0.7569	0.6345	0.6761	0.5941	0.5066
oleate/vaccenate (18:1)	Oleic acid	1.1545	1.3341	1.2456	0.7954	1.4812	1.9886	0.5477	0.6834	0.4247	0.4616	0.7099	0.6015	0.7275	0.6410	0.7448
ophthalmate	Ophthalmic acid	0.1447	0.1672	0.1447	1.2201	0.1447	1.0557	0.1447	0.9761	0.4122	0.4037	1.4533	1.5869	2.2066	1.2526	1.1674
O-sulfo-L-tyrosine	Sulfotyrosine	0.5195	0.8183	1.2293	1.1625	2.3441	11.1253	1.6077	0.7546	0.7679	0.6239	0.4498	0.5324	0.5689	1.0588	2.2527
oxalate (ethanedioate)	Oxalic acid	1.5930	1.0822	1.2681	1.4786	0.7485	1.1593	1.0476	0.8846	0.9524	1.0491	0.7050	0.6357	0.8399	0.6828	0.8566
palmitate (16:0)	Palmitic acid	0.9626	1.0098	0.9327	0.8244	1.1754	1.3727	0.7725	0.8150	0.6885	0.6707	0.8912	0.8101	0.8983	0.9595	1.0905
palmitoleate (16:1n7)	Palmitoleic acid	0.9098	0.8909	1.1546	0.5722	1.2116	1.7476	0.3046	0.6792	0.1820	0.2587	0.7770	0.4595	0.6998	0.3679	0.5268
pantothenate	Pantothenic acid	1.6451	1.5294	1.4911	1.2066	1.0359	1.3724	1.5232	0.8737	1.0518	0.8829	0.4484	0.5041	0.5364	0.8342	0.8107
p-cresol-glucuronide	P-Cresol glucuronide	0.5840	0.3559	0.3770	1.0013	1.2455	1.0260	0.7045	1.2921	2.1443	1.0651	0.7776	1.4560	1.2132	0.2688	0.2673
p-cresol sulfate	p-Cresol sulfate	0.7071	0.6769	0.5822	0.7728	1.9008	0.9654	1.0142	1.0654	1.3992	0.9800	0.6417	1.2820	0.8629	0.3672	0.2339
pentadecanoate (15:0)	Pentadecylic acid	0.8778	0.9613	0.7902	0.7683	0.9142	1.1184	0.9056	0.9339	0.8467	0.8472	1.0278	0.9883	1.0011	0.9989	1.0381
phenol glucuronide	Phenyl glucuronide	0.8634	0.3444	0.9861	0.5912	0.2262	0.7604	0.3869	0.5441	0.7400	0.4377	1.4915	1.4218	1.1668	1.1087	1.9045
phenol sulfate	Phenyl hydrogen sulfate	0.6829	0.5354	0.8646	0.4046	0.6028	0.7243	0.7242	0.4044	0.5308	0.3740	0.8110	1.0051	0.6660	0.7955	0.9949
phenylacetate	Phenyl acetate	0.9624	0.7232	0.6411	1.0498	2.2235	0.9700	1.5956	0.1287	0.5153	0.3820	0.2040	0.2747	0.1924	0.1949	0.1829
phenylacetylglutamate	N-Phenylacetylglutamic acid	0.5619	0.2950	0.2535	1.1654	1.9280	0.2535	1.9280	0.2535	0.2535	0.2535	0.2535	0.2535	0.2535	0.2535	0.2535
phenyllactate (PLA)	Phenyllactic acid	0.9463	0.9444	1.1362	0.2935	1.6557	1.1683	1.0847	0.5082	0.8562	0.6824	0.4484	0.6518	0.6158	0.7659	0.7183
phenylpropionylglycine	Phenylpropionylglycine	0.0884	1.7958	0.7072	0.1511	0.4342	0.5821	0.0884	3.8419	3.2205	3.5639	2.2479	2.0963	2.8425	2.3718	5.8735
phenylpyruvate	Phenylpyruvic acid	1.1564	1.7545	2.2191	0.5804	1.4063	1.5049	1.7971	0.6426	1.5473	1.3743	0.9820	0.7134	0.9743	1.1077	1.2367
phosphoenolpyruvate (PEP)	Phosphoenolpyruvic acid	0.7481	1.7236	0.4229	0.7964	0.2015	7.8089	0.7489	0.6187	0.4089	0.8881	7.7489	8.2686	15.3974	0.4030	1.1119
p-hydroxybenzaldehyde	4-Hydroxybenzaldehyde	2.5608	3.3776	2.9461	0.3868	0.2507	1.6679	0.2507	1.3673	2.1568	2.4195	0.4299	0.2507	0.2507	0.7551	0.7782
propionylglycine	Propionylglycine	1	0.9451	0.9530	0.5806	0.2612	0.5012	0.7828	1.2169	2.5255	2.6764	1.5668	1.6766	1.4450	1.4120	1.6100
propyl 4-hydroxybenzoate	Propylparaben	0.0041	0.0041	0.0041	0.0085	0.0041	1.9806	0.0041	0.0041	0.0041	0.0041	80.9631	54.6166	50.2794	0.0113	0.0041
pseudouridine	Pseudouridine	0.9962	0.9426	1.5529	1.2996	1.1467	0.8670	2.5208	1.1352	1.0199	0.9097	0.9806	1.0437	0.8987	1.0067	1.0699
pyridoxate	4-Pyridoxic acid	1.3445	1.2061	0.9740	2.0544	2.5274	2.1636	1.0745	0.5419	0.5756	0.5392		0.5383	0.4262	1.0556	0.8500
pyrraline	Pyrraline	0.6169	0.1722	0.4570	1.0032	0.8963	1.5078	1.7969	0.6133	8.6265	6.7524	1.3796	2.0007	3.2415	6.3490	4.4044
riboflavin (Vitamin B2)	Riboflavin	1.1442	1.3768	1.4472	0.6834	0.6953	1.3874	2.5935	0.9534	1.3278	1.1610	0.7928	0.7627	1.0456	1.3124	0.9897
S-(3-hydroxypropyl)mercapturic acid (HPMA)	N-Acetyl-S-(3-hydroxypropyl)-cysteine	0.8930	0.9580	1.2364	0.3947	0.4976	0.6829	1.0167	2.4939	2.7504	2.3549	1.5265	1.9676	1.0720	2.1712	2.1388
S-adenosylhomocysteine (SAH)	S-Adenosylhomocysteine	0.4710	0.3763	0.2022	0.2022	0.2022	0.2022	0.2022	1.3909	2.1019	2.1720	0.2507	0.2022	0.4086	1.0438	1.3127
sebacate (C10-DC)	Sebacic acid	0.9372	1.4655	0.9980	0.8085	1.8096	1.4198	1.0144	0.4510	0.3897	0.5988	0.8776	0.6360	0.7858	0.7985	0.6399
sedoheptulose-7-phosphate	Sedoheptulose 7-phosphate	3.8382	4.3466	2.3069	0.3559	0.1433	6.1322	0.2147	3.5214	3.3243	4.2568	0.6524	0.6824	1.2635	0.3266	0.9575
S-methylcysteine	Methylcysteine	1.6965	0.5547	1.0922	0.9256	1.9949	0.5359	1.2475	0.4866	0.4685	0.5782	0.7041	0.6007	0.3452	0.5624	0.5071
S-methylglutathione	S-Methylglutathione	1.0935	0.9741	1.3672	2.2113	1.8144	4.1728	0.7127	0.0698	0.3156	0.2715	1.0221	0.7681	0.9779	1.0353	0.8856
stearate (18:0)	Stearic acid	0.9434	1.1925	0.9374	1.0978	1.3800	1.4294	0.9930	0.8239	0.7838	0.7416	0.8874	0.8323	0.8135	1.0127	1.0676
stearidonate (18:4n3)	Stearidonic acid	1.0990	1.4620	0.6288	0.8145	0.5940	1.3599	0.9868	1.1555	0.9327	1.2251	1.2796	0.8769	1.0071	1.8604	2.0552
suberate (C8-DC)	Suberic acid	0.8547	1.3015	1.4278	0.7462	1.1976	1.1632	0.9703	0.5864	0.3366	0.6008	0.5699	0.8917	0.3366	1.0014	0.7788
sulfate	Sulfate	1.0696	1.0719	1.3512	1.5775	0.9010	0.9023	1.0709	1.1534	1.1699	1.1048	0.8644	0.7703	0.7806	1.1925	1.2079
tartronate (hydroxymalonate)	Hydroxypropanedioic acid	1.6866	1.4714	1.6294	1.7406	0.7954	0.7094	0.4921	1.0148	1.0302	0.9567	0.4536	0.4453	0.4257	0.8398	0.9852
tauro-beta-muricholate	Tauro-beta-muricholic acid	3.8094	1.0250	9.5861	0.5296	2.3720	1.9954	4.0766	0.2410	0.6482	1.3977	0.7543	1.5805	0.6352	0.6439	0.4308
taurochenodeoxycholate	Taurochenodeoxycholic acid	10.0904	0.9108	14.3645	0.3332	2.6581	2.4064	1.7082	0.8834	1.3128	2.2113	0.7072	1.1081	0.7275	0.4792	0.4610
taurocholate	Taurocholic acid	1.9444	1.1482	4.5120	0.9976	9.6373	4.6922	4.1456	0.1081	0.3073	0.4837	0.3404	0.9788	0.3334	0.1397	0.1187
taurodeoxycholate	Taurodeoxycholic acid	1.9794	1.0868	0.9606	0.3496	3.4840	1.6473	1.4683	0.5688	0.2761	0.3731	0.1437	0.6038	0.3382	0.1292	0.1118
taurohyodeoxycholic acid	Taurohyodeoxycholic acid	4.2389	0.7557	1.5200	0.6945	4.9186	0.9877	5.3605	0.5614	1.5608	2.6200	0.2112	1.1176	0.6859	0.9543	0.2230
tauroursodeoxycholate	Tauroursodeoxycholic acid	2.3660	0.6053	3.1648	0.4127	1.2714	1.4579	0.5112	0.4852	1.4207	1.9827	1.0019	1.2409	1.5159	0.7413	0.6177
tetradecanedioate (C14-DC)	Tetradecanedioic acid	0.7521	0.8258	0.9787	0.5563	1.7878	1.4736	0.6607	0.5759	0.4333	0.4581	0.8977	0.5713	0.7745	0.6059	0.6037
thymidine	Thymidine	0.9138	0.5457	0.6787	1.3014	0.4982	0.4407	4.8333	1.0899	1.1029	0.9458	1.6463	1.5572	1.6912	1.6785	1.6158
thymine	Thymine	0.8950	0.6402	1.3388	2.2351	1.1699	1.8053	8.2042	0.8478	0.9960	0.7637	1.0338	1.0677	0.8990	1.4481	1.5834
thyroxine	Thyroxine	0.5115	0.6703	0.6111	0.4706	1.1084	0.9664	1.1744	0.9545	0.9874	0.8271	1.0886	1.1094	0.9086	0.9843	1.6407
trans-2-hexenoylglycine		0.3574	0.3574	0.3574	0.3574	0.3574	0.3574	0.3574	1.7158	0.6046	0.4965	1.2760	1.5737	0.7609	0.3574	0.3574
undecanedioate (C11-DC)	Undecanedioic acid	0.9365	1.2735	0.9523	0.9917	0.9187	1.1818	1.0656	0.9223	0.8521	1.1147	0.4766	0.5306	0.4943	1.0709	1.0066
urate	Uric acid	1.6204	1.3373	1.7100	1.3373	1.7905	2.0441	1.5512	0.7586	0.7507	0.6846	0.3671	0.3125	0.4647	0.8833	0.8376
uridine	Uridine	1.4115	0.9439	0.9893	0.7725	0.9454	1.5906	4.7402	1.1229	1.2132	1.1943	0.9599	0.9591	1.0412	0.9454	1.2573
ursocholate	Ursocholic acid	0.4362	0.1238	0.1238	0.1238	2.5715	0.1238	2.0930	0.1238	0.1238	0.1238	0.1238	0.2106	0.1238	0.1238	0.1238
ursodeoxycholate	Ursodeoxycholic acid	0.1138	0.1138	0.1138	0.1138	1.3740	0.2741	0.7602	0.1138	0.6658	0.7431	0.7420	0.4456	0.9213	0.1138	0.4960
xanthine	Xanthine	3.3847	2.8113	0.0024	0.0019	0.0006	3.0839	3.1073	3.0575	3.0585	3.0729	0.0048	0.0042	0.0679	4.0626	4.2111
xanthosine	Xanthosine	0.6754	0.4448	0.4220	1.4522	2.5931	4.2855	1.6160	0.4927	0.2849	0.3331	0.0404	0.0128	0.0344	3.5359	3.4453
xanthurenate	Xanthurenic acid	1.3414	1.5936	1.2967	0.2067	0.3150	0.2067	0.7960	1.3627	4.0146	3.8765	1.5657	1.7811	1.9109	1.1594	2.6905