Metabolite_name	RefMet_name	DUKE-17572	DUKE-17573	DUKE-17575	DUKE-17576	DUKE-17579	DUKE-17581	DUKE-17582	DUKE-17584	DUKE-17587	DUKE-17588	DUKE-17591	DUKE-17593	DUKE-17595	DUKE-17597	DUKE-17599	DUKE-17601	DUKE-17603	DUKE-17605	DUKE-17570	DUKE-17571	DUKE-17574	DUKE-17577	DUKE-17578	DUKE-17580	DUKE-17583	DUKE-17585	DUKE-17586	DUKE-17589	DUKE-17590	DUKE-17592	DUKE-17594	DUKE-17596	DUKE-17598	DUKE-17600	DUKE-17602	DUKE-17604
Factors	-	Sample source:Bovine_Meat | Factor:Grain	Sample source:Bovine_Meat | Factor:Grain	Sample source:Bovine_Meat | Factor:Grain	Sample source:Bovine_Meat | Factor:Grain	Sample source:Bovine_Meat | Factor:Grain	Sample source:Bovine_Meat | Factor:Grain	Sample source:Bovine_Meat | Factor:Grain	Sample source:Bovine_Meat | Factor:Grain	Sample source:Bovine_Meat | Factor:Grain	Sample source:Bovine_Meat | Factor:Grain	Sample source:Bovine_Meat | Factor:Grain	Sample source:Bovine_Meat | Factor:Grain	Sample source:Bovine_Meat | Factor:Grain	Sample source:Bovine_Meat | Factor:Grain	Sample source:Bovine_Meat | Factor:Grain	Sample source:Bovine_Meat | Factor:Grain	Sample source:Bovine_Meat | Factor:Grain	Sample source:Bovine_Meat | Factor:Grain	Sample source:Bovine_Meat | Factor:Grass	Sample source:Bovine_Meat | Factor:Grass	Sample source:Bovine_Meat | Factor:Grass	Sample source:Bovine_Meat | Factor:Grass	Sample source:Bovine_Meat | Factor:Grass	Sample source:Bovine_Meat | Factor:Grass	Sample source:Bovine_Meat | Factor:Grass	Sample source:Bovine_Meat | Factor:Grass	Sample source:Bovine_Meat | Factor:Grass	Sample source:Bovine_Meat | Factor:Grass	Sample source:Bovine_Meat | Factor:Grass	Sample source:Bovine_Meat | Factor:Grass	Sample source:Bovine_Meat | Factor:Grass	Sample source:Bovine_Meat | Factor:Grass	Sample source:Bovine_Meat | Factor:Grass	Sample source:Bovine_Meat | Factor:Grass	Sample source:Bovine_Meat | Factor:Grass	Sample source:Bovine_Meat | Factor:Grass
10-heptadecenoate (17:1n7)	10Z-Heptadecenoic acid	0.3890	0.3180	0.4576	2.8947	1.0261	1.8520	0.9625	0.5450	0.3781	0.9739	0.9512	0.9199	2.5243	0.3813	0.7343	0.4542	0.2936	0.5674	3.9896	3.6987	5.2606	0.8817	3.9193	3.0256	5.0774	0.9733	2.1200	2.4297	0.9245	1.2985	4.9261	3.6419	2.0326	2.8436	0.6350	3.3934
10-nonadecenoate (19:1n9)	Nonadeca-10Z-enoic acid	0.3337	0.2540	0.2386	1.5862	0.5530	1.1399	0.5259	0.4348	0.2914	0.4431	0.4700	0.5549	1.4452	0.3335	0.4698	0.3098	0.2337	0.4760	2.8893	2.3388	3.9511	0.9821	2.9898	2.4179	4.0570	1.0177	1.8797	2.0334	0.9823	1.3261	3.7472	2.9674	1.9344	2.2965	0.6841	2.7913
12-HETE	12-HETE	1.7076	0.3602	0.5510	0.6131	1.1168	0.5241	3.8818	0.3906	0.7787	0.8634	0.8250	0.5102	0.8513	0.6863	0.6807	0.2939	0.3927	0.6562	2.6249	1.9597	1.9004	1.7726	2.2169	1.2477	1.7486	1.6401	1.9722	0.9336	1.0002	1.0396	2.2934	1.4610	2.0277	1.2046	0.9998	0.6263
(12 or 13)-methylmyristate (a15:0 or i15:0)	Isopentadecylic acid	0.1681	0.2539	0.1959	0.8770	0.4308	0.9339	0.3315	0.1724	0.1937	0.2870	0.6457	0.4899	0.7751	0.1900	0.3971	0.1604	0.2450	0.3235	5.2371	4.2780	5.1523	1.1543	5.6816	4.1380	7.2948	1.3039	3.4665	3.0514	1.1692	1.6425	5.3615	5.3622	3.3367	3.8550	1.0661	4.2999
13-HODE + 9-HODE	HODE	1.7553	0.4270	0.4750	0.9530	0.5276	1.0470	1.6932	0.7229	0.4156	0.6980	0.3920	0.6593	1.0920	0.3357	0.3700	0.3205	0.3879	0.8257	2.1312	2.6301	1.9564	1.1159	4.5621	1.4223	2.2760	0.9229	1.3744	1.2499	1.1649	0.7859	1.8223	1.5062	0.7437	1.2525	0.4411	1.7251
(14 or 15)-methylpalmitate (a17:0 or i17:0)	Methylpalmitic acid	0.3963	0.3022	0.2455	0.8435	0.7247	1.1920	0.6693	0.3519	0.2951	0.4760	0.6137	0.7447	0.9654	0.4303	0.6325	0.2982	0.3291	0.5276	2.5075	2.5889	3.5059	1.0346	3.1103	2.3048	3.9335	1.2359	2.0105	2.0661	1.0818	1.5741	3.2053	3.2137	2.1133	2.6691	0.7854	2.6961
1_5-anhydroglucitol (1_5-AG)	1,5-Anhydrosorbitol	1.1923	1.6049	1.4099	0.8078	0.8863	1.3765	1.0385	1.1975	1.5925	1.2553	0.6712	1.3575	0.5515	1	1.4268	1.2256	1.5642	0.9621	0.7444	0.4070	0.4167	1.0698	0.6986	1.2137	0.8826	1.3195	0.8601	0.4562	0.3039	0.3039	0.9701	0.5846	0.7526	1.1666	1.2929	0.3084
15-HETE	15-HETE	1.6435	0.6918	0.8322	0.7856	0.6517	0.8677	5.9987	0.8457	0.4520	0.8841	0.5557	0.6041	0.8802	0.3651	0.4752	0.2595	0.4891	0.7526	2.7700	2.2999	1.9574	1.5421	2.4890	1.3900	1.5500	0.9512	1.7867	1.0488	1.0598	1.1033	1.8434	1.4552	1.1600	1.0746	0.7655	1.8788
(16 or 17)-methylstearate (a19:0 or i19:0)	Methyloctadecanoic acid	0.4390	0.3563	0.3300	1.4608	0.6856	1.2961	0.9622	0.4984	0.3629	0.4711	0.6656	0.9462	1.5204	0.6068	0.5855	0.3297	0.3595	0.6343	1.8583	1.7499	2.6033	0.8193	2.1614	1.6731	2.8449	1.0378	1.4302	1.5930	0.7366	1.3373	2.5791	2.3002	1.4594	1.6771	0.6443	2.1770
1-linolenoyl-GPG (18:3)*		0.1543	0.1543	0.1543	0.1543	0.1543	0.1543	0.1543	0.1543	0.1543	0.1543	0.1543	0.1543	0.1543	0.1543	0.1543	0.1543	0.1543	0.1543	1.0999	1.0884	1.2448	0.1905	1.7386	0.8721	1.2741	0.3677	0.5560	0.9393	0.3786	0.3826	2.4210	2.8857	1.0038	0.9962	0.1543	3.4864
1-linoleoyl-GPG (18:2)*	LPG 18:2/0:0	0.6306	0.1533	0.3933	0.9103	2.3028	0.4067	0.2795	0.3309	0.7638	0.3721	1.8803	0.1750	0.6073	0.2714	2.5212	0.6870	1.2043	0.1438	2.0232	2.2525	1.9449	0.6646	2.5100	1.4741	2.1100	0.9539	1.2896	2.0641	0.9870	1.0130	5.4228	4.6748	2.7075	2.3180	0.6542	6.3320
1-oleoyl-GPG (18:1)*	LPG 18:1/0:0	0.4072	0.2542	0.5315	2.1514	1.1188	0.7313	0.6031	0.5293	0.6588	0.4102	1.2818	0.5593	1.5439	0.4067	2.0773	0.6548	1.0542	0.5568	1.2674	1.2528	1.7215	0.4505	1.7842	1.2775	1.2593	0.7385	0.9650	1.0350	0.4882	0.9281	3.9822	2.2903	1.6844	1.0853	0.2560	3.2210
1-oleoyl-GPS (18:1)	LPS 18:1/0:0	0.7100	0.2403	0.7640	1.0500	0.6506	0.6701	1.8511	0.3792	0.6466	0.4918	0.7794	0.3260	0.9500	0.7757	1.6664	0.6027	0.7382	0.5605	1.8458	1.5193	5.3203	0.5189	8.6921	1.9831	1.3984	1.3459	1.4541	1.5944	0.8150	1.6636	4.9987	2.9007	2.1848	1.3959	0.5040	2.3635
1-palmitoyl-GPG (16:0)*	LPG 16:0/0:0	1.1473	0.4075	0.6619	1.7074	1.3911	0.8209	0.3531	0.3980	0.6775	0.5137	2.4061	0.5628	0.9497	0.5700	2.7437	0.6998	0.9604	0.4994	1.4632	1.2785	1.7500	0.6464	1.1348	1.7263	1.1815	0.9295	1.1099	1.0081	0.6849	0.9919	1.0503	2.0778	2.2945	1.3505	0.5034	2.3138
1-stearoyl-GPG (18:0)	LPG 18:0/0:0	1.0372	0.5447	0.6020	1.7009	1.5516	0.6469	0.4610	0.4672	0.5864	0.6248	1.4927	0.7045	1.0081	0.6785	1.7533	0.8440	1.0489	0.6950	1.3782	1.0262	1.4989	0.5987	0.9559	1.7100	0.9730	0.9919	1.7525	0.9287	0.7230	1.1824	1.1851	1.6580	1.8461	1.3276	0.6594	1.9588
2_3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*	2,3-Dihydroxy-5-methylthio-4-pentenoic acid	0.9771	0.8881	0.9718	1.0190	1.4629	1.5352	0.7279	1.0525	0.8953	0.7598	0.9196	0.7533	1.3328	1.1315	1.3694	1.3339	0.8258	0.8174	0.9689	0.8985	1.2293	0.6978	1.1608	0.9432	0.9573	1.5530	1.3298	0.8851	1.2276	1.3207	0.9810	0.8554	1.0696	1.0268	1.3879	1.1693
2_4-di-tert-butylphenol	2,4-Ditert-butylphenol	1.5275	0.9841	1.1942	1.2294	2.3224	1.1368	0.2728	0.5375	1.6041	1.0073	2.9624	0.7349	0.5639	0.4201	2.5281	0.9927	0.7545	0.5174	1.5624	1.0653	1.2545	0.5201	1.0390	1.4017	1.0541	0.4788	1.1238	0.8210	0.5339	0.3632	1.2857	0.6286	1.1034	0.8722	0.5183	0.2936
2_8-quinolinediol sulfate		2.6724	1.5431	0.9307	1.0933	3.9519	1	0.8242	0.6217	0.7101	0.6088	0.4180	1.0076	1.0628	0.4180	1.0391	0.6541	0.5644	6.1851	0.4180	0.4180	0.4180	0.4180	0.4180	0.4180	0.4180	0.4180	0.4180	0.4180	0.4180	0.4180	0.4180	0.4180	0.4180	0.4180	0.4180	0.4180
2^-deoxyinosine	Deoxyinosine	0.9406	1.0067	0.9603	0.5248	0.5699	0.5860	0.5341	0.4116	0.6968	0.8166	0.7660	0.9644	0.4940	0.3763	0.5615	0.5350	0.6716	0.7033	1.6144	1.3422	1.5085	1.3822	2.3506	1.8738	1.4732	1.6826	1.3124	1.0318	0.9933	1.1635	1.0794	1.3601	1.1674	1.6050	1.2295	1.6792
2^-deoxyuridine	Deoxyuridine	1.0119	0.8964	0.6664	0.5457	0.6577	0.8015	0.4168	0.5003	0.6712	0.6199	0.8165	0.9165	0.5078	0.4860	0.8260	0.7710	1.2037	0.5279	1.7805	0.9881	1.2550	1.3835	1.5694	2.6580	1.5076	1.1107	1.1016	0.8644	1.4129	1.1160	1.0750	1.5509	1.3604	2.7199	1.9499	1.5814
2-hydroxy-3-methylvalerate	2-Hydroxy-3-methyl-pentanoic acid	2.0884	0.7284	0.3926	1.3785	2.5448	1	0.3926	1.0186	1.1365	1.0656	1.0475	0.9190	1.5901	0.9302	0.7048	1.6366	1.4291	0.3926	0.3926	1.2506	0.6963	0.7919	0.7279	0.6879	0.3926	0.7094	0.8860	0.3926	0.6635	0.3926	0.3926	1.7049	0.3926	0.3926	1.1802	0.8392
2-hydroxydecanoate	2-Hydroxycapric acid	1.4278	0.8757	1.1144	0.8465	1.5250	1.3310	1.2925	1.8074	1.3226	1.0536	0.8615	0.9404	1.0129	1.0675	0.8024	0.8663	1.2924	0.8758	2.3166	1.1628	0.9379	1.1718	1.2243	0.8359	1.3197	0.8771	1.0447	0.9871	0.8220	0.6295	0.6987	0.9213	1.3038	0.6744	0.7937	0.6939
2-hydroxyoctanoate	2-Hydroxyoctanoic acid	1.5908	0.9718	1.3739	0.8464	1.0516	1.2509	0.7638	1.3348	1.0395	0.9961	1.0518	1.1146	1.0646	0.9601	0.9491	1.3419	1.0039	1.1695	1.5497	1.1005	0.7899	0.9673	1.3838	1.2077	1.2765	0.9830	1.0302	0.8380	0.2838	0.9296	0.8186	0.9581	0.7720	0.8054	0.6050	0.8321
2-hydroxypalmitate	2-Hydroxypalmitic acid	0.9654	0.3432	1.0338	1.0657	0.6736	1.1724	10.0502	0.3383	0.5223	0.6575	1.2417	0.5802	0.8709	0.4685	0.6254	0.4067	0.9061	0.9845	1.3081	1.0155	1.6282	0.6161	5.4211	2.1782	0.9366	0.7697	1.3239	1.6912	1.3520	1.0169	1.3884	1.5208	0.9288	1.0604	0.7620	2.0863
2-methylbutyrylglycine	2-Methylbutyrylglycine	2.1658	2.3482	0.6429	0.6513	0.7590	0.4247	0.7551	0.3797	0.2392	0.4502	2.8479	2.2713	0.8199	1.2315	0.7909	0.6799	1.2146	1.2049	1.0555	0.8062	0.9675	1.4501	1.0190	1.6501	0.8664	1.1962	0.3761	0.9558	2.1517	1.4372	1.2183	1.7926	0.8376	0.9810	1.0294	1.0281
2-oleoyl-GPG (18:1)*		1.2377	0.6837	0.9780	1.9607	2.1289	0.8251	0.3107	0.6589	1.5070	0.9315	3.1882	0.6149	0.3107	0.6760	4.6324	1.0449	2.0567	1	0.9672	0.6590	1.5436	0.3107	1.4125	0.9330	0.3107	0.8476	1.1027	1.2890	0.4327	0.4961	2.4516	1.9486	1.8875	0.7127	0.7553	1.4652
2-oleoyl-GPS (18:1)*		1.1848	0.6273	1.5767	1	0.9682	0.8996	0.3117	0.4364	1.3011	1.0479	1.9039	0.3117	0.3117	1.1398	2.7659	0.9724	0.9808	0.6135	0.3117	0.9344	3.0181	0.3442	0.3117	1.2415	0.3117	0.6482	1.2788	1.3248	0.4542	1.0830	2.5145	0.8669	1.5060	0.9670	0.5564	1.3040
3-(4-hydroxyphenyl)lactate	Hydroxyphenyllactic acid	1.5600	1.1316	0.7934	1.3933	1.9622	1.7376	0.5007	1.9147	0.9998	0.8805	1.2825	1.0002	1.4970	2.4692	2.3145	2.1314	0.7435	1.2707	0.7816	1.1481	0.9335	0.9519	0.8584	0.8758	0.6987	1.1556	0.8736	0.6537	0.7018	1.2111	1.1394	0.9817	0.9905	1.1588	0.7531	0.7605
(3^-5^)-adenylylcytidine	ApC	0.6855	0.6855	0.7532	1.2875	1.3241	0.6855	1.2415	0.6855	0.9553	0.6855	0.6855	0.6855	0.6855	0.6855	0.6855	1.0271	0.8603	0.6855	0.8932	0.6855	1.4484	1.5888	1.4270	0.9356	0.9780	1.2665	0.6855	0.8556	0.6855	0.6855	1.2576	0.6855	1.4610	0.9318	1	0.9442
3-hydroxyhippurate	3-Hydroxyhippuric acid	0.3845	0.3845	0.3845	0.3845	0.3845	0.3845	3.0232	0.3845	2.6681	0.3845	0.3845	0.3845	0.3845	0.3845	0.3845	0.3845	0.3845	0.3845	0.8739	0.3845	0.4738	0.9126	0.5965	0.6717	2.8472	0.3845	0.6599	0.3845	0.8759	0.3845	0.3845	1.8783	1.0874	2.3611	1.1713	1.2128
3-hydroxyoctanoate	3-Hydroxyoctanoic acid	1.0712	1.0622	1.2605	0.8064	2.1892	1.8459	0.7612	1.5724	1.3695	1.0939	1.2279	0.6805	1.7299	1.4918	1.7304	2.1727	1.0400	0.8249	0.8630	0.7723	0.7492	0.8429	1.1508	1.8344	0.8935	1.2897	0.7610	0.4028	0.3450	0.9600	1.5478	0.6823	0.8218	0.8521	0.5270	0.6034
3-indoxyl sulfate	Indoxyl sulfate	0.3840	0.6667	0.6038	0.9794	0.4726	1	0.4367	0.4908	0.3840	0.3840	0.3840	0.6739	1.0846	0.6484	0.5265	0.5386	0.5874	0.6532	0.8411	1.5145	0.9625	1.2266	1.6344	1.1799	1.5563	1.2488	0.7971	1.6630	1.8016	1.3046	1.4429	1.3295	1.7890	1.5482	2.5138	1.5606
3-methyl-2-oxovalerate	3-Methyl-2-oxovaleric acid	1	1.4923	0.6474	1.5272	0.6474	1.2731	0.6474	0.6474	0.6474	0.6474	0.6474	1.0189	0.6474	0.6474	0.6474	1.3640	0.6474	0.6474	1.3276	0.6474	1.1163	0.6474	0.6474	0.7782	0.6474	0.8253	0.8802	0.7511	0.6474	0.6918	0.6474	0.6474	0.8826	0.6474	0.8945	1.0409
3-methylhistidine	3-Methylhistidine	0.9900	1.0687	0.9815	1.0538	1.3405	0.9468	1.1905	0.5472	0.8836	0.9481	0.6272	1.0512	1.0287	1.0059	0.7102	0.9118	0.6611	0.7610	0.9827	1.0038	1.4947	0.9017	1.0814	1.2051	0.9035	1.3830	1.0685	0.7350	1.1087	0.8492	1.2685	1.3191	0.9298	1.0193	1.0719	0.9962
3-phosphoglycerate	3-Phosphoglyceric acid	0.2420	0.5559	0.5714	0.8691	0.2420	0.8395	0.9146	1.0264	0.3123	0.5036	0.2420	0.4891	0.6848	0.3965	0.4316	1.9745	0.6072	0.2420	3.3781	2.9840	1.4452	2.6622	1.8029	2.3374	0.5865	3.5361	2.3005	1.1174	1.2970	0.2420	1.2069	1.6497	0.4670	0.9736	1.6119	2.6069
4-ethylphenylsulfate	4-Ethylphenylsulfate	0.2043	0.1528	0.1528	0.1528	0.3063	0.1528	0.1528	0.1528	0.2429	0.1528	0.1528	0.1528	0.1528	0.1528	0.1528	0.1528	0.2064	0.1528	1.4295	0.9759	0.9420	0.8575	1.1661	1.4161	2.1800	1.0689	0.6604	1.3000	1	0.5864	0.7607	1.2724	1.6552	1.9067	1.6585	1.0696
4-hydroxy-nonenal-glutathione		8.6708	2.3728	3.5620	1.0249	1.7827	0.9036	2.4497	0.9181	2.1701	1.4687	1.1680	0.7121	0.9491	1	1.0929	0.7671	2.7256	1.9664	1.1258	1.1257	0.8941	0.8183	0.6359	0.8227	0.7867	0.5728	1.4362	0.4213	1.0087	0.8334	0.4213	0.4278	0.7176	0.4213	0.9498	0.4213
4-hydroxyphenylacetate	4-Hydroxyphenyl acetate	1.1268	1.2234	0.8525	0.5466	0.7954	0.9869	0.4183	0.6597	1.0307	0.6609	1.2925	0.8447	0.3232	0.5956	2.0425	1.2026	0.6143	0.5598	1.0597	1.0920	0.7098	1.0809	3.3651	1.1894	1.3206	0.6301	1.2342	0.2405	0.2405	0.2405	0.8711	1.0131	1.1016	1.0383	0.6654	1.1309
4-hydroxyphenylpyruvate	4-Hydroxyphenylpyruvic acid	1.9101	2.5760	1.4465	1.2223	1.3388	1.1974	0.5860	1.6097	1.2045	0.6066	1.7816	1.5659	1.0225	2.1092	2.1978	1.6388	1.0303	1.0080	0.6687	0.9403	0.8902	0.9920	0.2196	1.3646	1.4634	0.9554	0.4527	0.7647	0.4978	0.7436	0.5009	0.3755	0.3464	0.7846	0.5762	0.9235
4-methyl-2-oxopentanoate	Ketoleucine	1.0793	1.7304	0.5567	1.3786	0.5567	1.2161	0.5567	0.9559	0.8024	0.5567	1.5456	1.2901	0.7106	0.7368	1.4027	1.6802	0.5567	0.5567	0.8139	1.1076	1.0441	0.5567	0.5567	1.0600	0.7096	0.6383	0.5567	0.5567	0.5567	0.8517	0.5567	0.5567	0.5567	0.5635	0.5567	0.8262
4-methylcatechol sulfate		0.8427	3.8796	2.7570	4.4004	0.4145	10.1098	12.7420	3.1476	1.0847	1.9117	0.2465	3.4430	4.7546	3.5997	5.6342	3.3866	1.2775	1.1764	1.7883	0.4525	0.7258	0.5529	0.3584	1.3300	0.5863	0.4419	0.3605	0.3902	0.8026	0.5083	0.5191	0.6610	0.6609	1.1562	0.6128	0.9153
5_6-dihydrouracil	Dihydrouracil	1.1943	0.9955	0.3715	0.4563	0.8656	0.7586	0.1909	0.7486	0.6058	0.1909	1.2332	0.4477	0.1909	0.1909	1.0045	1.0892	0.4638	0.1909	1.4497	0.5434	3.1521	1.6400	0.8374	0.6414	1.0387	1.5820	1.0545	0.6179	1.5606	0.9644	2.1313	2.4305	1.3836	1.4956	0.8305	2.1234
5_6-dihydrouridine	5,6-Dihydrouridine	1.1666	1.1122	0.8962	1.0058	1.1940	1.0102	1.0966	0.6495	0.7337	0.6784	0.8315	1.0849	0.9462	0.6017	0.6568	0.9454	0.7392	0.6086	0.7610	0.7556	1.0908	1.2995	1.1018	1.2720	1.0959	1.3146	0.9809	0.8174	1.1075	1.0640	1.3766	0.9338	1.3054	1.5619	0.9942	0.9780
5-HETE	5-HETE	1.3655	0.2728	0.7897	0.9711	1.1888	0.5683	4.0504	0.4083	0.6250	1.1083	1	0.4086	1.1827	0.4680	0.5308	0.2728	0.4582	0.7727	2.5247	2.0715	2.1322	1.5833	2.2287	1.1663	1.1540	0.8365	1.6658	0.8308	0.9512	0.7804	2.0083	2.0011	1.1163	0.8923	0.6951	1.7428
5-methyluridine (ribothymidine)	Ribothymidine	0.4464	0.4464	0.6810	0.6081	0.4464	0.6047	0.6905	0.4464	0.4464	0.4464	0.4464	0.4464	0.6747	0.4464	0.4464	0.4464	0.4464	0.4464	1.4860	0.4464	1.5273	1.3820	1.9218	0.9992	1.1360	1.3411	0.8735	0.6612	1.2518	0.8961	1.6397	1	1.8423	1.5658	0.9146	1.2289
5-oxoproline	Pyroglutamic acid	0.6070	0.8361	0.6916	0.7593	1.2607	0.9900	0.4045	0.7536	0.5084	0.4991	0.8194	0.8074	1.0694	0.9717	0.8247	1.0126	0.8381	0.7656	1.2352	0.7630	1.2842	1.0411	1.0100	1.2497	1.5282	1.2108	1.2272	0.9188	1.4380	1.1882	1.1354	1.1107	1.3243	1.6032	0.9433	1.4412
6-oxopiperidine-2-carboxylate	6-oxopiperidine-2-carboxylic acid	0.5217	0.3814	1.5023	0.8851	0.7576	0.7831	0.7525	0.7769	0.9256	0.7173	1.0965	0.3814	1	0.6236	0.6468	0.4475	0.7324	0.4844	1.9439	0.4750	1.6893	1.5547	1.2614	0.5693	1.1417	1.1679	1.4377	1.3417	0.7267	1.3157	1.1075	1.1592	1.3334	1.7217	1.0899	1.3083
6-phosphogluconate	6-Phosphogluconic acid	2.1175	1.1564	0.9214	1.1893	0.9279	1.0014	0.6933	0.9986	1.0379	0.7486	1.1629	1.0261	0.8900	1.0483	1.0263	1.3508	0.7265	0.8736	0.8034	1.1124	1.3464	0.7842	0.6220	1.0141	0.8700	0.8942	0.8691	0.8963	1.4449	0.8217	1.0408	1.5247	0.7988	1.3379	0.5714	1.3240
8-hydroxyoctanoate	8-Hydroxyoctanoic acid	2.0092	1.1175	0.9458	0.4017	0.4017	0.9298	0.7735	0.7400	0.4017	1.0542	0.4017	0.7629	0.8752	0.4017	0.4017	0.4017	0.4017	0.7995	1.1209	1.4188	1.4670	3.9451	1.1953	2.3360	1.2234	0.4904	0.7827	0.4017	1.4027	1.5894	0.8992	0.7152	0.4184	0.4017	0.4017	1.2692
aconitate [cis or trans]	cis-Aconitic acid	1.0088	0.9912	0.8735	0.4881	0.6349	0.4471	0.2981	0.3450	0.7569	0.6170	0.9012	0.8655	0.3544	0.2943	0.4645	0.4777	1.1259	0.7106	1.6645	1.8680	0.7482	1.5618	1.7525	2.7894	1.6945	1.9426	1.0892	1.2649	1.6970	1.9570	0.4461	1.2066	2.4561	1.4080	1.5064	1.1490
adrenate (22:4n6)	Adrenic acid	0.9967	0.2808	1.2067	1.6624	2.4084	1.4300	1.1281	0.6580	1.6968	1.6795	1.7859	0.4446	1.0630	0.9855	2.4903	1.0262	1.0763	1.0424	1.2515	0.7558	1.4481	0.5817	1.3741	1.0033	0.8189	0.4765	0.7133	0.8197	0.4643	0.7207	1.2945	0.8211	0.7300	0.5928	0.4632	0.8050
alpha-hydroxyisocaproate	2-Hydroxyisocaproic acid	1.7210	1.0849	0.6146	0.8027	1.6160	1.1437	0.2899	0.9673	0.8560	0.6739	0.9891	1.0049	0.9503	1.1068	0.9227	0.9735	1.0885	0.6592	0.8287	1.5591	1.0277	0.9951	1.6187	1.1125	0.8175	1.0377	1.1051	0.6599	1.1015	0.8277	1.0233	1.3861	0.7556	0.7560	1.2713	1.1543
arachidate (20:0)	Arachidic acid	0.6633	0.4718	0.9593	0.9772	0.9535	0.6918	0.6257	0.4276	0.5973	0.6407	1.0228	0.6615	0.8877	0.8728	1.0746	0.6862	0.9637	0.6621	1.3579	1.1806	1.8116	0.9201	1.8424	1.5883	2.0442	1.1488	1.7230	1.6427	0.8187	1.1416	2.2524	1.8300	1.8382	1.4084	1.0762	2.2322
arachidonate (20:4n6)	Arachidonic acid	0.9804	0.3196	0.7428	1.0196	2.3334	0.5971	0.5399	0.2335	1.1350	0.9675	2.5010	0.2960	0.5914	0.6882	2.2794	0.6666	0.7207	0.4289	2.0194	1.1966	2.0857	0.6850	1.7771	1.6354	1.5583	0.5882	1.1585	1.2455	0.5714	0.5962	2.5588	1.5725	1.8923	1.0237	0.7205	1.6038
azelate (C9-DC)	Azelaic acid	4.4523	2.1825	1.6342	1.0271	0.7150	1.8463	0.7885	1.6711	0.7525	0.8364	1.5867	0.9559	0.7402	0.4915	0.5930	0.5128	0.6461	0.6438	1.8749	1.4154	1.7107	3.7639	1.1002	2.5452	1.0852	0.9786	0.8828	0.7646	1.0565	2.0068	1.1032	0.9098	1.0214	0.7780	0.9002	0.9326
behenate (22:0)*	Behenic acid	0.9787	0.3681	0.9117	0.3884	0.7156	0.8864	0.5897	0.4449	1.0037	0.3102	1.0028	0.7050	0.9358	0.9688	0.6608	0.9972	1.6269	0.3348	0.9142	1.6588	2.3711	1.0050	1.2746	2.4875	3.0320	1.2282	1.0516	2.3456	0.9637	1.1344	1.8213	2.2178	1.1275	3.1881	0.7954	3.4656
benzoate	Benzoic acid	1.1188	0.8396	1.0187	0.8947	0.7247	0.8065	0.7476	1.0593	1.2482	1.1856	1.4014	0.9224	1.0295	0.6020	1.0113	0.9647	1.0918	0.8114	0.9374	0.6082	1.0545	0.8906	0.9123	1.4910	0.7679	0.7564	1.1713	1.3187	1.0010	0.9545	1.2134	1.4857	1.2804	0.9990	0.9665	1.7996
beta-citrylglutamate	Beta-Citryl-glutamic acid	0.9870	1.2325	0.9101	0.8463	0.7844	1.0117	0.7215	0.4762	1.2367	0.6902	1.3744	1.2500	0.4444	0.5895	0.7693	0.8760	1.2080	0.5991	1.0365	0.7600	1.4792	1.2934	0.7543	0.9883	1.2034	0.9458	1.5281	0.8223	2.9500	0.9096	1.8480	1.3591	1.4895	1.3510	2.7241	1.6713
butyrylglycine		0.5171	1.2858	1.7547	0.7680	1.0158	0.4126	1.3970	1.3307	0.4126	0.7679	3.2497	1.6052	0.7411	1.2372	0.9417	1.2020	0.4126	0.7908	0.4126	1	1.7717	0.4126	0.4126	0.4126	0.4126	0.5915	0.4126	0.4126	0.9316	0.7333	0.4126	1.4149	0.4126	0.4126	0.4126	0.8112
caprate (10:0)	Capric acid	0.9084	0.7593	0.7532	1.1295	0.7262	1.1703	0.9608	1.1245	0.8132	0.9195	0.8141	1.2116	1.1133	0.5490	0.7678	0.7256	0.7670	0.9605	1.7919	1.8802	1.7919	0.9500	1.3458	1.0973	1.6188	0.8646	1.2232	1.2421	0.9404	0.8028	1.1450	1.6787	1.0392	1.1507	0.6939	1.8514
caproate (6:0)	Caproic acid	0.4248	0.8218	0.6462	0.4248	0.6825	0.6630	0.4248	0.4248	1.3622	1.4218	0.8055	0.4248	1.2466	1.4539	0.6579	1.5577	2.7281	1.4115	0.8768	0.4248	0.8168	0.4248	0.4248	1.1661	2.0662	0.8220	0.4248	1.9910	0.8935	1.1481	1	1.8394	0.7456	0.9338	0.4248	3.1609
caprylate (8:0)	Caprylic acid	0.9816	1.1861	0.9453	1.0116	0.9179	1.0919	0.7136	0.9965	1.1915	1.0964	1.3879	0.9319	0.9703	0.7405	0.9309	0.9978	1.0507	0.8152	0.9985	1.0450	1.1619	1.0110	1.1064	1.1798	1.0955	0.8661	0.9990	0.9881	0.9328	0.8965	1.1765	1.1979	1.0857	0.9938	1.0010	1.1952
catechol sulfate	Catechol sulfate	0.1791	1.0042	0.6807	0.6478	0.1398	1.1036	2.3738	0.6525	0.1998	0.4422	0.1454	0.9958	0.7413	0.4491	0.7082	0.7643	0.5318	0.3150	3.7367	1.1759	1.3482	1.4654	1.3177	3.4428	2.0083	1.1633	0.7577	0.8270	1.4057	0.8828	1.2946	1.6017	2.0866	3.4974	2.3036	1.6216
C-glycosyltryptophan	C-Glycosyltryptophan	1.2537	0.7485	0.6482	0.9788	0.9104	1.1152	0.4748	0.7942	1.3057	0.5346	0.7833	0.9330	0.7060	0.7308	1.1811	1.0723	1.1156	0.5719	0.9819	1.0324	1.1300	0.9515	1.0685	0.8901	1.0980	1.0472	1.1584	0.8578	1.0181	0.9364	1.0789	1.0228	1.0561	0.9454	1.0518	1.0599
cholate	Cholic acid	4.8304	1.1591	0.1398	0.3533	3.5887	0.8356	1.5034	0.8204	0.5696	0.1151	5.0143	1.0611	0.3289	1.0150	0.5158	0.9720	1.3096	0.5366	0.6291	0.4753	0.4032	1.5456	0.3312	1.3907	1.1224	1.1779	0.6885	0.3298	2.4489	0.9850	2.2535	2.3748	1.5257	1.2842	1.3629	0.7116
cinnamoylglycine	Cinnamoylglycine	0.3820	1.0042	0.5986	0.3820	0.3820	1.4486	3.1577	0.5391	0.3820	0.3820	0.3820	0.6771	0.3820	0.5747	1.6911	0.9958	0.3820	0.4880	1.5395	0.6426	0.7552	1.7329	0.6800	0.9028	1.3453	0.8150	0.3820	0.3820	1.2047	0.3820	1.6024	2.3344	1.0242	1.8285	0.6762	1.4490
citrate	Citric acid	1.6015	1.5366	0.7680	0.5816	0.5658	0.5632	0.3442	0.4296	0.8669	0.6195	0.8332	1.0079	0.4069	0.4486	0.6335	0.5208	0.8267	0.7753	1.7108	1.2109	0.8433	1.0269	1.1005	1.6099	1.1022	1.6387	1.4769	1.1936	1.2984	1.2838	0.4758	1.0581	1.3532	1.0489	1.5028	0.9921
dehydroascorbate	Dehydroascorbic acid	0.6423	0.7899	0.4427	0.4599	1.2987	1.1479	0.2136	0.6208	1.0336	0.5212	0.5377	1.3529	0.4558	0.7324	1.1403	1	0.4428	0.3816	1.3006	1.4837	1.5988	0.9079	0.7923	1.7748	0.9319	1.2874	1.4731	1.5171	1.5124	1.3133	1.0710	0.6417	1.5222	0.7075	1.5397	0.2136
dihomo-linoleate (20:2n6)	11Z,14Z-Eicosadienoic acid	0.7059	0.3704	0.5309	1.9554	1.3068	1.3982	0.7808	0.4603	0.7634	0.8147	1.0833	0.5295	1.5956	0.5006	1.1926	0.6057	0.4940	0.6471	1.4787	1.0897	2.1419	0.4776	2.1993	1.7273	1.8529	0.5907	1.0127	1.4083	0.6107	0.7888	2.2507	1.4228	0.9873	1.0872	0.5341	1.3701
dihomo-linolenate (20:3n3 or n6)	Dihomo-gamma-linolenic acid	0.8285	0.3646	0.7119	1.5051	2.4904	0.9942	0.6566	0.3818	0.8953	1.0424	2.3093	0.3914	0.9758	0.8473	2.3943	0.7578	0.7081	0.7424	1.6007	1.1610	1.9369	0.5801	1.8528	1.6045	1.4580	0.5849	1.0058	1.1557	0.5563	0.7107	1.9542	1.3267	1.4273	1.0400	0.6375	1.3280
docosadienoate (22:2n6)	13Z,16Z-Docosadienoic acid	0.9924	0.5177	0.8092	1.5023	1.3233	1.0897	0.5641	0.3861	1.1834	0.7919	1.2599	0.6110	0.9207	0.6009	1.3424	0.6172	0.7190	0.3844	1.1780	0.8677	2.6593	0.5908	3.2116	1.5059	1.5710	0.9384	1.0893	1.3372	0.7297	1.0076	2.1414	1.3734	1.2964	0.9849	0.6782	1.0790
docosahexaenoate (DHA; 22:6n3)	DHA	0.3927	0.5101	0.1832	1.1207	1.1616	0.4583	0.1021	0.2560	0.3095	0.2110	2.3804	0.4361	0.5967	0.7539	1.4573	0.8089	0.3660	0.2556	3.9021	1.4596	3.1074	0.6283	2.8367	3.5443	1.8833	0.8793	1.6250	2.2998	0.8465	0.8001	3.3657	2.1827	2.5512	1.2140	1.2574	2.4567
eicosapentaenoate (EPA; 20:5n3)	EPA	0.1417	0.3146	0.0493	0.4552	0.3958	0.1579	0.0392	0.1189	0.0670	0.0647	1.2029	0.2658	0.2764	0.2154	0.5035	0.3037	0.1168	0.1052	4.0244	2.3917	3.2535	0.9521	4.4291	4.4363	2.9783	1.4377	2.1062	2.6593	1.3656	1.0479	4.8484	3.3456	3.0478	1.8129	1.5576	2.9501
eicosenoate (20:1)	cis-Gondoic acid	0.5633	0.4713	0.4776	2.7562	0.7362	1.6675	0.9547	0.7737	0.6667	0.8619	0.8419	1.0261	2.3090	0.5540	0.9739	0.5431	0.3472	0.9391	1.8448	1.6759	3.1540	0.7934	2.3842	1.8488	3.1942	0.8206	1.5332	1.8890	0.7404	1.2904	3.8853	2.3451	1.4325	1.5934	0.5680	2.3620
erucate (22:1n9)	cis-Erucic acid	0.5039	0.3082	0.7488	1.0688	0.9963	0.5537	0.3294	0.2596	0.6366	0.4956	1.0087	0.3846	0.6409	0.5149	1.1950	0.5402	0.4746	0.3206	1.2272	1.1246	2.0534	0.8549	2.4627	1.1847	2.0205	1.0037	1.6017	1.3520	0.6552	1.1682	2.2913	1.8114	1.6727	1.1203	0.6619	1.3523
flavin adenine dinucleotide (FAD)	FAD	1.1849	0.9217	0.8785	0.6068	0.6068	1.2483	0.6068	0.9409	1.1809	1.2057	1.6552	0.8424	0.6334	0.6068	1.0913	1.2639	1.4551	0.7948	0.6068	0.9265	0.8154	0.6068	0.6068	0.6068	0.8657	0.8387	1.4608	0.9747	1.1278	0.6068	0.9983	1.0017	1.1085	0.6934	1.7473	1.3288
flavin mononucleotide (FMN)	FMN	0.5781	0.7116	1.0678	0.9713	1.0368	1.2633	0.9757	0.5421	0.6347	0.7507	1.5570	1.0599	0.8230	0.6487	0.6680	1.2951	0.8299	0.8171	1.0647	0.7369	1.1681	1.3443	1.3697	1.7929	1.6871	1.2144	0.7122	0.5659	1.0243	0.6353	0.7395	1.2484	1.8017	1.3579	0.4150	1.4329
fructose 1_6-diphosphate/glucose 1_6-diphosphate/myo-inositol diphosphates	Fructose 1,6-bisphosphate	1.8863	2.5650	1.1560	0.8336	0.7564	0.4045	0.4045	0.4298	0.9855	0.8669	1.7079	1.0745	0.6359	0.4481	1.0649	0.4299	1.0145	0.5356	0.4045	1.1699	0.8605	0.8326	0.4985	1.0153	0.6011	1.5495	2.1430	1.2481	2.6827	1.1719	1.6723	0.8877	0.8698	0.5582	2.2357	1.0345
gamma-glutamylisoleucine*	gamma-Glutamylisoleucine	0.8186	0.6617	0.6617	0.6617	0.6617	0.6617	0.6617	0.6617	0.6617	0.6617	0.6617	0.6617	0.6617	0.6617	0.6617	0.6617	0.6617	0.6617	1.3355	0.9874	1.4510	1.1320	0.7339	0.8117	1.1064	0.8953	1.0126	0.7050	1.5350	1.2858	0.9783	1.1219	1.0450	0.9189	1.4020	0.9528
glycerol	Glycerol	1.0029	1.0025	1.1857	0.8983	1.1985	1.2715	0.7033	0.8446	0.7069	0.7974	1.4014	0.8044	0.8003	0.7055	0.9975	0.9285	0.8234	0.9412	1.0515	1.8189	1.6932	0.9446	0.8644	0.6137	1.4871	1.0706	1.1547	0.7697	1.0293	0.9328	1.4205	1.4930	1.0669	1.4654	0.6673	1.2437
glycochenodeoxycholate	Glycochenodeoxycholic acid	1	1.2083	2.2699	0.1669	0.6935	1.0488	0.1669	0.5167	0.6317	1.6322	0.4100	0.9084	0.1669	0.1669	1.3660	0.6714	0.6886	0.1803	0.1669	0.8484	0.6994	0.6822	0.4651	3.2084	1.1447	1.6219	0.1669	0.8234	1.0592	0.5514	1.3563	1.4951	1.3838	1.1347	2.0829	1.7564
glycocholate	Glycocholic acid	0.7781	1.6134	1.7456	0.2974	1.1206	1.3186	0.2099	0.7123	0.4111	1.2924	0.3865	1.7527	0.2339	0.2629	1.7761	0.6554	0.8045	0.3055	0.2780	0.9555	0.7612	1.1154	0.4511	2.4291	1.4943	2.3238	0.4214	0.6218	1.0445	0.4303	1.8681	2.2010	1.7193	1.4973	3.6950	1.8726
glycodeoxycholate	Glycodeoxycholic acid	0.6891	1.2642	1.7368	0.1951	0.8717	1.4592	1.0502	0.6013	0.9897	1.0625	0.2734	1.0595	0.1951	0.1951	2.0008	0.5251	1.2152	0.3300	0.2252	0.3420	0.5082	1	1.1002	2.2308	1.4278	1.5890	0.1951	0.7915	0.7349	0.3216	0.6024	2.1949	2.5325	1.3716	2.1427	0.8419
guaiacol sulfate	Guaiacol sulfate	0.6660	0.6660	0.6660	0.6660	0.6660	0.6660	0.6660	0.6660	0.6660	0.6660	0.6660	0.6660	0.6660	0.6660	0.6660	0.6660	0.6660	0.6660	1.7721	0.6660	0.7668	1.2392	0.9421	1.2380	0.6660	1.1212	1.1772	0.9587	1.3625	0.8653	1	0.9048	1.5524	0.7366	1.6159	0.7687
guanosine	Guanosine	1.1280	0.9639	1.1479	1.6727	0.8778	0.9742	1.5183	0.9024	1.1269	1.1924	1.0222	1.7128	0.7286	0.9504	1.6670	1.2522	0.9126	1.2008	0.9322	1.4225	0.7420	1.3010	0.8787	0.9931	0.7854	1.3839	1.0248	1.1201	1.0069	0.9274	0.8176	0.5991	0.7120	0.8426	1.2108	0.5137
guanosine 5^-monophosphate (5^-GMP)	GMP	1.3151	0.9905	0.8940	0.9922	1.1675	1.5397	0.3590	2.2627	1.9158	1.0671	1.1821	0.8863	1.0078	1.2420	2.0062	1.3471	1.2211	1.1771	0.3590	1.1666	0.9900	0.3952	0.3590	0.3590	0.4868	0.3590	0.6911	0.6304	0.9591	0.6681	0.8679	0.3590	0.4145	0.3590	1.8698	0.7644
heptadecatrienoate (17:3)*	Heptadecatrienoic acid	0.2403	0.1707	0.1707	0.1707	0.3913	0.4454	0.2904	0.2440	0.1707	0.1707	0.2908	0.3630	0.4115	0.1707	0.1707	0.2339	0.1854	0.1707	2.2506	1.8909	2.0172	0.7564	2.9436	1.5768	2.3513	1.0239	1.2837	1.2446	1	0.6589	2.0178	1.8641	1.1708	1.4760	0.6095	2.2772
heptanoate (7:0)	Heptylic acid	0.9356	1.5779	0.4524	0.8002	0.7003	0.7755	0.5026	0.4702	0.3083	2.1201	0.1074	0.5924	0.1074	0.1074	1.1015	0.1074	1.4915	2.9677	0.1074	1.9955	2.7582	2.7236	1.1562	0.8402	1.3882	0.1074	0.7860	1.3616	0.3754	0.1074	0.9728	0.6560	2.0467	2.0564	1.8372	1.0272
hexadecadienoate (16:2n6)	7Z,10Z-Hexadecadienoic acid	0.3273	0.1762	0.2782	1.2205	0.4632	1.0121	1.2067	0.4422	0.3361	0.6266	0.5152	0.5232	1.1522	0.2623	0.4490	0.2705	0.2487	0.4405	2.2515	2.4296	3.0324	0.7563	2.9503	2.6670	3.3037	0.9565	1.4042	2.2954	1.0457	0.9879	3.6550	2.6308	1.1891	1.7799	0.8820	2.4018
hippurate	Hippuric acid	0.3484	0.9998	0.7211	0.7714	0.2189	1.9812	0.6081	1.0002	0.2695	0.4937	0.2561	0.8994	0.7206	0.7057	1.5566	1.2878	0.5385	0.4008	2.5436	0.9922	1.1927	1.6707	0.9492	1.9190	1.6929	1.0688	1.0473	0.7378	1.4337	0.8888	1.0486	1.2494	1.7328	2.3540	2.0505	1.4561
histidine	Histidine	0.7129	1.2388	1.0200	1.0169	0.9117	1.0456	0.6723	0.8787	1.0335	0.8913	1.0244	1.0584	1.0276	0.9482	0.9379	1.0168	1.0589	0.8468	1.0845	0.8546	1.0810	0.9587	0.9256	0.8761	0.8979	1.0708	0.9832	0.7480	0.9384	0.8531	1.0502	1.0600	1.0261	1.0695	1.1246	0.8959
hypoxanthine	Hypoxanthine	0.9528	1.0025	1.0570	0.8364	1.0267	1.0854	0.6814	0.7190	0.9604	0.9180	1.0320	0.9564	0.7717	0.7807	0.8522	0.9174	0.9975	0.8120	1.0637	0.8757	1.0983	1.0220	1.0721	1.0593	1.0699	1.0338	1.0166	0.8112	0.8955	0.9107	1.0504	1.0426	1.1226	1.1388	0.8788	1.0266
indolelactate	Indolelactic acid	1.4741	0.9345	0.9043	1.4098	1.6229	1.8647	0.4859	1.8804	0.9959	0.8167	1.0411	0.7752	1.3081	2.3463	2.7679	1.9595	0.6596	0.9768	0.7552	1.2437	1.0041	1.0183	1.1104	0.7054	0.7348	1.0361	0.9446	0.7918	0.6555	1.1739	1.0559	1.1078	0.9613	0.9345	0.7678	0.8485
inosine	Inosine	1.1845	1.1595	1.1180	1.0332	0.9053	0.8959	0.5411	0.8747	1.0650	0.9192	1.0075	1.2274	0.7886	0.9247	1.1584	1.0925	1.1868	1.1019	0.9148	1.2164	0.8613	0.9925	0.8371	1.0755	0.9709	1.1621	0.9433	0.9603	1.0451	1.1177	0.7587	1.0536	0.9358	0.8897	1.0758	0.8907
inosine 5^-monophosphate (IMP)	IMP	1.9522	1.6410	1.1900	1.1945	1.0355	1.2296	0.1340	2.5486	2.1479	1.4008	1.2202	1.4620	0.8526	1.6308	2.4499	1.3268	1.7130	1.6041	0.0715	1.6539	0.4014	0.2609	0.0227	0.0521	0.4433	0.2833	0.5553	0.8136	0.9645	0.6443	0.5373	0.2403	0.1680	0.0839	1.5797	0.4623
isobutyrylglycine	Isobutyrylglycine	0.5569	1.3652	0.8985	0.6969	0.5569	0.5569	1.4397	0.5569	0.5569	1.0030	0.8839	1.1651	0.6589	0.9343	1.2592	0.9548	0.5569	1.2302	0.5569	0.9970	1.1144	0.5569	0.5569	0.5569	0.5569	0.9282	0.5569	0.5569	0.5569	1.1626	0.5569	1.2633	0.5569	3.3307	0.5569	0.8290
isoleucylglycine	Ile-Gly	2.7046	2.8062	1.6712	1.0490	0.6723	1.0274	1.2973	1.0315	2.5685	1.4258	2.0548	1.7257	0.6078	1.0130	1.1692	1.1981	1.7391	0.8475	0.7176	0.5786	0.9071	0.7688	0.6473	0.6404	0.7004	0.8759	0.8223	0.5235	0.8109	0.7029	1.0153	0.9034	0.9870	1.2980	1.0667	0.6952
isovalerylglycine	Isovalerylglycine	1.2117	1.4108	0.7800	0.7145	0.6810	0.2296	0.5808	0.1475	0.1257	0.3036	1.7678	1.3522	0.3816	0.4921	0.7960	0.8726	0.9917	0.6488	0.1257	1	1.4650	1.8474	0.9685	1.3501	1.4471	1.3592	0.6869	0.9892	1.7673	1.6662	1.4802	2.2775	1.4498	1.4216	1.2419	1.6028
kynurenate	Kynurenic acid	0.7709	0.7124	0.6412	0.6412	1.1297	0.7885	0.6412	0.7386	0.6412	0.6412	0.6412	0.6412	0.6412	0.6412	1.0447	1.0639	0.6412	0.6412	1.9458	1.0204	0.9103	1.1510	1.5613	1.5633	1.1078	0.6412	0.6929	0.8974	1.0681	1.2102	0.6412	0.9886	0.9913	1	0.6412	0.9847
laurate (12:0)	Lauric acid	0.6179	0.5886	0.5589	1.0928	0.6212	1.0916	1.0731	0.9640	0.6725	0.7867	0.6459	1.0254	1.2424	0.5176	0.6969	0.6772	0.6601	0.8200	1.5287	1.9866	1.9364	0.9417	1.2262	1.0719	2.0765	0.9283	1.1421	1.3237	0.9746	0.8570	1.7930	1.7820	1.2289	1.2849	0.7086	1.9652
linoleate (18:2n6)	Linoleic acid	1.0086	0.2853	0.5696	1.2162	1.9678	0.9332	0.6839	0.3665	1.0569	0.9526	1.7236	0.3807	0.9912	0.6212	1.9996	0.6721	0.5555	0.5290	1.4958	1.1622	1.7291	0.4889	2.0394	1.7475	1.6745	0.6102	0.9914	1.4682	0.5846	0.6064	2.1103	1.4998	1.1718	1.0355	0.5514	1.3318
linolenate [alpha or gamma; (18:3n3 or 6)]	gamma-Linolenic acid	0.2720	0.1639	0.1381	0.6698	0.6287	0.3764	0.1996	0.2251	0.2118	0.2407	0.7595	0.2317	0.5872	0.2990	0.4880	0.3296	0.1890	0.1923	4.2503	3.8487	5.1043	1.2405	8.0789	5.0272	5.1881	1.9237	3.1185	4.0318	1.7103	1.4544	5.7505	4.6345	2.9020	2.8394	1.3471	3.9532
linoleoyl ethanolamide	Linoleoyl-EA	0.7501	0.8924	2.1876	1.1010	3.4351	1.2438	1.8017	0.8686	2.4394	1.7523	3.3893	0.6119	1.0986	1.2139	2.6518	1.3185	0.9309	0.9771	0.2834	0.2834	0.9443	0.2834	0.2834	0.6773	0.2834	0.5607	1.0702	1	0.3239	0.5698	1.0107	0.6960	1.5628	0.2834	0.7355	0.9842
malate	Malic acid	0.6171	1.1514	1.1224	0.7830	1.1518	1.4460	1.1941	0.6737	0.5847	0.6713	0.5737	0.4503	1.5309	0.7090	0.4776	0.9652	0.8789	0.3927	0.9564	0.6910	1.5408	1.2183	1.2012	1.1458	1.8443	1.1383	1.5390	1.3410	0.8870	0.7575	0.9987	1.1271	0.7563	1.0013	1.6710	1.3995
margarate (17:0)	Margaric acid	0.6067	0.3996	0.4215	1.9753	1.1190	1.4003	0.7996	0.4535	0.5465	0.6049	0.8613	0.8190	1.9913	0.6425	0.8226	0.4650	0.4376	0.5350	2.3688	1.7267	2.8218	0.7478	2.4928	2.4176	2.4455	1.0234	1.4670	1.7234	0.8274	0.9766	2.9472	2.8159	1.6550	1.6960	0.7607	2.2312
myristate (14:0)	Myristic acid	0.3853	0.4087	0.4081	1.8498	0.5619	1.3816	1.1653	0.5675	0.3356	0.7329	0.5943	1.2050	2.0267	0.3879	0.7005	0.3956	0.3725	0.7478	2.3848	2.3342	3.1829	0.6507	1.9813	2.0124	2.8855	0.6189	1.3674	1.8768	0.7417	0.8347	3.8093	2.5480	1.4375	1.4811	0.5014	2.2061
myristoleate (14:1n5)	Myristoleic acid	0.1679	0.2998	0.3922	1.5667	0.3512	1.5671	1.8097	0.8315	0.2700	1.0556	0.3499	1.2280	1.6758	0.1624	0.3233	0.2876	0.2793	0.9505	1.6494	2.7243	2.9920	1.0215	1.4445	0.9785	3.6075	0.3435	1.0236	1.3645	0.6643	0.6115	4.6822	2.2996	0.8287	1.4368	0.2925	2.4500
N6-succinyladenosine	Succinyladenosine	0.5266	0.5266	0.5266	0.7259	0.5266	0.5266	0.5266	0.5266	0.5266	0.5266	0.5266	0.5266	0.6877	0.5266	0.5266	0.5266	0.5266	0.5266	0.8557	0.5266	1.7149	0.9650	0.5386	0.5266	1.8887	0.7110	1.0275	0.6852	1.2698	1.0184	1.6874	2.2502	0.8880	1.1038	1.1451	1
N-acetylleucine	N-Acetylleucine	1.0502	1.5057	0.8500	0.8135	0.9298	1.0445	0.7029	0.9287	0.8839	0.7417	1.8955	1.0710	0.7643	0.7984	0.8144	1.1475	1.2243	0.6326	1.3005	0.7924	1.4269	1.1870	1.0092	0.8421	1.4031	0.6831	1.9934	0.6247	0.9908	0.7581	1.9035	1.0156	1.4716	2.2831	0.7157	1.8941
N-acetylmethionine	N-Acetylmethionine	1.2467	1.1493	1.0379	0.7344	0.6382	0.8734	0.4075	0.8460	1.1710	0.7745	1.2107	1.1931	0.4869	0.7819	1.1906	1.2009	1.0759	0.7139	0.8365	1.1254	0.9462	0.8475	0.7225	1.0486	0.9571	1.1147	0.9438	0.8709	1.2302	1.1643	0.8061	1.1027	1.0670	1.1721	1.1334	0.9621
N-acetylphenylalanine	N-Acetylphenylalanine	1.2389	1.1799	0.8018	0.6638	1.0661	0.7989	0.4718	0.6935	1.2627	0.7679	1.6778	0.9823	0.6109	0.6612	0.9871	0.7769	0.9442	0.6565	1.7495	1.1080	1.2589	1.2265	0.9035	1.3737	1.3753	0.8456	0.9487	0.7095	1.0129	0.8090	1.7522	1.2291	1.5439	1.6954	1.0129	1.3169
N-acetylthreonine	N-Acetylthreonine	1.1341	1.2324	0.9624	1.0569	0.7420	1.0482	0.6739	0.7194	0.9903	0.8069	0.8342	1.0509	0.7835	0.8694	0.9288	1.0635	0.9435	0.8842	1.0096	0.9817	1.1917	1.0112	1.0482	1.0016	0.8997	1.0116	0.9995	0.7879	1.1794	1.1163	1.1629	1.0655	1.1016	0.9696	0.8765	1.0005
N-acetylvaline	N-Acetylvaline	0.7011	1.1099	0.6746	0.5591	2.1035	1.9878	0.3699	1.5115	0.6718	0.5123	1.5100	1.1253	1.0098	3.6478	2.3241	1.9056	0.5734	0.5250	1.0986	1.0258	1.1101	0.7185	0.6576	0.7818	0.8385	0.6250	1.0013	0.5139	0.8718	1.2392	1.2230	1.0635	0.9987	1.5818	0.4555	0.9192
NADHX*		1.4667	0.7035	0.8175	0.5927	0.8460	1.1549	0.7662	1.0491	1.4597	1	0.6190	0.3297	0.6977	1.0704	0.3297	0.5994	0.6380	0.4964	1.0965	0.8890	1.3112	0.7540	0.6308	0.5923	1.1889	1.2599	2.7896	1.2053	1.6333	1.2087	1.9682	1.4280	0.6678	0.8107	2.6562	1.2781
N-delta-acetylornithine	N(5)-Acetyl-ornithine	0.9574	1.0922	0.6871	0.6749	1.1199	0.4074	0.3689	0.7529	0.3591	0.6095	0.8317	0.9771	0.8450	0.5390	0.6177	0.8190	0.5865	0.3727	0.9835	1.2079	1.0165	1.2284	1.5806	1.1257	1.3281	1.4987	1.8647	1.2314	1.0758	1.6169	0.7739	2.0122	1.2345	1.2442	1.0389	1.1007
N-formylmethionine	N-Formylmethionine	1.2979	1.1409	1.0237	0.7899	0.8279	0.6768	0.5298	0.6918	1.4118	0.8965	1.2943	0.8890	0.6399	0.8059	1.2049	0.9053	1.0769	0.8174	1.1384	1.0103	1.4222	1.2031	1.1306	0.8974	0.9897	0.9593	1.0152	0.7555	1.0126	0.8505	0.9137	1.3477	1.1900	1.2738	0.8564	1.2979
N-formylphenylalanine	N-Formylphenylalanine	1.4836	1.3085	1.2991	0.6027	0.9041	0.7321	0.7613	0.5809	1.4596	0.7987	1.1659	0.8208	0.4639	0.7114	0.7091	0.8539	1.2097	0.7838	1.2331	0.7547	1.2758	0.9007	1.0262	0.8140	0.8782	1.2268	1.3075	0.6873	1.3959	0.9907	1.1353	1.0093	1.4584	1.1608	1.2975	1.1750
nicotinamide adenine dinucleotide reduced (NADH)	NADH	1.1577	0.7073	0.6104	0.4393	1.1305	1.2638	0.2522	1.1137	0.6077	0.5132	1.1685	0.4536	0.6764	1.2750	1.3148	1.1956	0.6592	0.5512	0.4565	1.6568	1.1459	0.9005	0.1932	0.4570	1.2697	0.8820	1.4863	0.9795	1.5220	1.2424	1.3083	1.0205	0.7121	0.3276	1.5342	1.0690
N-oleoyltaurine	NA-Taurine 18:1(9Z)	0.2658	0.2658	1.5705	0.2658	1.1770	0.2658	1.2363	0.2658	1.4684	1.1986	0.2658	0.2658	0.9750	0.4995	0.8363	0.4391	0.8209	0.5884	1.0643	0.9531	0.7046	0.6200	1.9191	0.2658	1.3285	0.4959	1.3807	1.2619	0.2658	0.6316	2.4886	2.1641	1	0.9527	0.2658	2.4534
nonadecanoate (19:0)	Nonadecenoic acid	0.4760	0.3881	0.3362	0.8442	0.7917	0.8251	0.4261	0.3450	0.4870	0.3624	0.7624	0.6475	0.9210	0.6442	0.6000	0.4282	0.5119	0.3992	2.2202	1.7836	2.7349	1.2675	2.2979	2.4542	3.4162	1.6921	2.0795	1.9798	1.2727	1.4629	3.3673	3.1463	2.6312	2.4739	1.0790	2.5485
N-palmitoyltaurine	NA-Taurine 16:0	0.5073	0.7575	2.7463	0.5073	2.4486	0.5073	1.1844	0.5073	2.1426	1.5426	2.3349	0.5073	0.5073	0.6598	2.5812	0.5648	1.5550	1.1626	0.5073	0.5631	0.5073	1	0.9865	0.7087	0.8394	0.7202	1.9689	0.9761	0.7033	0.8047	1.7866	0.9332	2.0278	1.4846	1.4829	0.8083
octadecenedioate (C18:1-DC)		1.9296	0.6934	0.6669	0.6228	0.6461	1.0855	1.4331	0.7631	0.5201	0.4413	0.6812	1.4555	0.9884	0.3999	0.5644	0.5996	0.7037	1.0116	1.6800	2.1299	1.9971	1.1184	2.1789	0.9398	1.9116	1.1484	3.1695	1.0604	1.1406	0.8322	0.9837	2.7228	0.9159	1.4418	0.6121	2.0771
oleate/vaccenate (18:1)	Oleic acid	0.4946	0.4540	0.4684	1.9084	0.7825	1.5438	0.9817	0.6239	0.4560	0.8669	0.8063	1.1194	1.7516	0.5387	0.8467	0.5160	0.4134	0.7911	1.9556	1.5886	2.1655	0.7373	2.0194	1.7762	2.0906	0.8462	1.3611	1.5932	0.7638	1.0183	2.4705	1.9061	1.2737	1.3902	0.6188	1.6540
oxalate (ethanedioate)	Oxalic acid	1.0769	0.8872	1.0020	0.9412	0.8043	0.9130	0.8845	0.9651	1.1198	1.0814	1.2408	0.8292	0.9670	0.8701	0.9066	0.7233	1.2248	0.9469	1.1154	0.9984	1.1203	1.0915	1.0016	0.9713	1.0860	1.1098	0.9243	1.0933	1.1744	1.3001	0.8967	1.2646	1.0917	0.9385	0.9653	1.7180
palmitate (16:0)	Palmitic acid	0.5696	0.4881	0.5879	1.2101	0.9701	1.0299	0.7630	0.4787	0.5716	0.7242	1.0403	0.7247	1.2343	0.7389	1.1161	0.5747	0.6627	0.6552	1.3950	1.0848	1.6343	0.6156	1.4750	1.3948	1.4247	0.7462	1.0578	1.2572	0.7239	0.8076	1.8420	1.6466	1.2562	1.0445	0.6574	1.6092
palmitoleate (16:1n7)	Palmitoleic acid	0.2943	0.2513	0.4246	2.2198	0.5318	1.5306	1.0886	0.4901	0.2950	0.9581	0.6667	0.8503	1.8205	0.2519	0.6549	0.3550	0.2633	0.6029	3.0900	3.1766	4.4691	0.7619	2.7622	2.1795	4.0067	0.6710	1.7014	2.1282	0.6915	1.0419	5.0045	2.8333	1.6121	2.0321	0.4477	2.9367
pantothenate	Pantothenic acid	0.9297	1.1700	1.4133	0.9973	1.5330	1.2549	0.8807	1.1892	1.3975	1.1354	1.5503	1.2360	1.0027	0.9890	1.1546	1.4361	1.0171	0.9298	0.8252	0.6332	1.3190	0.7316	0.7956	0.8473	0.6929	0.9206	0.9406	0.6924	0.8174	0.7791	1.1123	0.7131	1.0854	1.2062	0.8022	1.2773
p-cresol glucuronide*	P-Cresol glucuronide	0.0772	1.1856	0.5048	1.0847	0.0772	0.7934	0.1475	0.2653	0.0772	0.3069	0.0772	1.1267	0.9405	0.6573	0.2814	0.3653	0.1687	0.1117	2.0069	1.2714	1.4873	3.0114	1.0450	0.7275	1.9930	1.0800	1.6095	0.8190	2.2784	0.9494	0.8395	1.6593	2.1471	2.7956	1.8286	1
p-cresol sulfate	p-Cresol sulfate	0.4033	1.2433	0.6412	0.6826	0.2504	0.6877	0.1855	0.4096	0.1243	0.5158	0.1050	1.1286	0.7661	0.6429	0.4589	0.4771	0.4741	0.5548	1.4380	1.0878	1.1670	1.0842	1.2274	1.3626	1.1936	1.0465	0.6859	1.0368	1.3447	0.9726	1.0274	1.3241	1.3593	1.1488	1.3577	1.3232
pentadecanoate (15:0)	Pentadecylic acid	0.3837	0.2958	0.3664	1.2798	0.7203	0.9958	0.6221	0.3045	0.3412	0.5739	0.7363	0.5639	1.3603	0.3296	0.6242	0.3148	0.3444	0.4567	2.3305	2.5964	3.6895	0.8647	2.5004	2.1486	3.8499	1.0440	1.5404	1.7385	1.0042	1.0947	2.9538	3.0774	1.8494	2.1337	0.7016	2.3841
phenol sulfate	Phenyl hydrogen sulfate	0.1658	0.2545	0.2903	0.2548	0.2927	1.0779	0.3524	0.1997	0.1669	0.2606	0.1053	0.2553	0.2732	0.2088	0.4910	0.3453	0.1053	0.1726	1.1321	1.7049	1	1.1687	3.4936	1.8108	1.1835	1.1456	1.2335	1.5547	3.2921	1.8409	2.2102	1.4376	2.7333	1.1863	0.9381	1.3590
phenylacetylglutamine	alpha-N-Phenylacetylglutamine	0.5071	2.7722	0.9844	1.7246	1.0270	1.2896	0.4651	1.0697	0.4651	0.5982	0.6726	2.3676	1.5036	1.4040	0.8762	1.3222	0.4695	0.7824	1.0156	1.1644	1.8697	0.7148	0.6651	0.6154	0.9436	0.5854	1.6871	0.7704	1.8287	1.1468	0.6646	0.5839	0.8230	0.4651	1.2656	1.2389
phenylacetylglycine	Phenylacetylglycine	0.6336	0.9899	0.8724	1.0609	0.6531	0.8493	0.3514	0.6016	0.3171	0.6450	0.3732	0.9266	1.0101	0.8373	0.5232	0.9015	0.5418	0.8892	0.9125	1.2894	1.3726	1.6048	1.0796	0.8366	1.0425	1.3043	1.0692	1.0319	2.2836	1.4398	1.0663	1.4908	1.8117	1.1605	1.5350	1.4649
phenylalanylalanine	Phe-Ala	2.9683	3.4190	1.3313	0.8127	0.7681	0.3986	0.5495	0.9932	2.3092	1.1807	1.5304	2.5364	0.2742	0.9563	2.0342	0.6758	1.2889	1.4948	1.0094	1.7336	0.9108	0.9511	0.8093	1.0134	0.8747	0.7499	0.8858	0.8368	1.1105	0.9577	0.6401	1.3472	0.7750	1.0411	1.3093	1.0068
phenyllactate (PLA)	Phenyllactic acid	3.3081	1.0603	1.3450	2.3028	1.7926	3.4934	0.6522	2.1048	1.3614	0.9378	1.1232	0.7396	1.5093	2.3583	4.6804	5.1562	0.6994	0.7405	0.7280	1.5397	1.4380	0.8090	0.7987	0.8160	0.7248	0.7527	0.4458	0.6142	0.7014	0.9397	1.5697	1.3378	0.6590	1.7057	0.4531	0.8349
phosphate	Phosphoric acid	0.9397	0.9373	1.0647	0.9229	1.0644	1.1268	0.8043	0.9477	0.9735	0.9587	0.9311	1.0062	0.9007	1.0288	1.0042	1.1154	0.9938	0.9026	0.9763	0.9158	0.9907	0.9974	0.9270	1.0482	1.0607	1.0387	1.0556	0.8910	1.0972	1.0015	1.0770	1.0064	1.0061	1.0147	0.9985	1.0312
phosphoethanolamine	Phosphoethanolamine	0.9155	0.8820	1.1881	1.1148	0.9654	0.9854	1.0222	0.8730	1.0233	1.1416	1.1508	1.0869	1.1795	0.8317	0.9967	1.0169	1.0125	0.7373	0.9928	0.8614	1.0851	1.0103	1.1279	1.0451	0.8774	1.0079	0.8834	0.9898	1.2086	0.9570	0.9528	1.0033	0.8808	0.8846	0.8147	1.0835
propionylglycine	Propionylglycine	2.0075	2.3403	0.1222	0.1222	0.6180	1.0410	0.1222	0.1222	0.1222	0.1222	1.0941	0.5137	0.3967	0.1222	0.8601	0.9901	0.5266	1.0099	1.4951	0.6983	1.0676	1.1930	0.2928	1.7039	0.9008	1.2277	0.3497	0.3089	1.4957	1.5581	0.6993	0.6952	1.0687	1.5983	0.7665	1.3525
pyridoxate	4-Pyridoxic acid	0.3983	0.8107	1.4323	1.6743	2.5523	1.5906	0.3392	1.3485	1.4421	0.8366	0.8137	1.5097	1.3200	1.0876	1.8292	1.8276	1.4208	0.8356	1.0152	1.1366	0.9256	0.9848	0.2706	0.7646	0.7112	0.9469	0.6508	0.8215	1.1091	1.1977	0.8653	0.7121	1.3843	1.4004	0.7169	0.8326
pyrraline	Pyrraline	1.6162	0.9746	1.5524	0.5403	2.3497	0.7269	0.5403	0.5403	0.9298	1.0493	1.9387	1	0.5403	0.5403	0.8896	0.5403	1.2745	0.6657	0.5403	0.5403	0.5403	0.5403	0.5403	0.5403	0.5403	0.5403	0.5403	0.5403	0.5403	0.5403	0.5403	0.5403	0.5403	0.5403	0.5403	0.5403
S-(1_2-dicarboxyethyl)glutathione		0.9824	1.4342	1.6060	1.9547	1.1483	1.5748	0.6115	2.0762	1.9946	1.5940	1.4326	2.0408	1.3535	2.0334	1.7194	1.3862	1.5112	1.7057	0.3000	0.5512	0.7626	0.4631	0.3389	0.6072	0.8159	0.6267	0.8366	0.6015	0.7076	0.2363	0.4232	0.6301	0.1908	0.3130	1.7140	1.0176
S-adenosylhomocysteine (SAH)	S-Adenosylhomocysteine	1.2882	1.4933	1.3139	0.9797	0.9757	0.5912	0.2856	1.1323	1.7502	1.3894	1.2707	1.5364	0.8177	1.2373	2.3716	1.0367	1.1085	2.4664	0.6979	1.1155	0.7515	0.5084	0.5635	1.0220	0.6703	1.0203	0.7428	0.9051	1.0846	1.3710	0.3296	0.9378	0.6938	0.7881	0.7580	0.7951
stearate (18:0)	Stearic acid	0.7416	0.5780	0.7287	1.3234	1.1090	0.9915	0.6832	0.4620	0.7058	0.6819	1.1979	0.7973	1.2929	0.9208	1.2030	0.6247	1.0085	0.7054	1.5071	0.9032	1.6803	0.6679	1.5890	1.7743	1.5005	0.9540	1.1884	1.4986	0.8884	0.9449	2.1547	1.9595	1.5217	1.1993	0.8637	1.9976
sulfate*	Sulfate	1.1676	1.4160	1.7687	1.3579	1.4205	1.8441	1.5058	2.0257	1.5958	1.8262	1.5827	1.8165	1.1070	1.2482	1.2040	1.7810	1.6184	1.4648	0.4630	0.1672	0.5100	0.2194	0.5466	0.5467	0.4988	0.3546	0.7696	0.8769	0.8930	0.5492	0.7334	0.6756	0.5607	0.4541	0.7809	0.5206
taurocholate	Taurocholic acid	0.2348	1.4567	2.4689	0.7776	1	3.0695	0.5421	2.5223	0.6992	2.0094	0.3044	2.1010	0.5110	0.5058	4.1581	1.5907	0.9427	0.8458	0.1918	2.0090	1.3439	0.1918	0.2486	0.9563	2.9226	1.0739	0.4162	0.3841	0.3439	0.2659	1.2873	2.9387	0.6242	1.4762	1.1162	2.1265
taurodeoxycholate	Taurodeoxycholic acid	0.3344	0.8728	1.7591	0.3344	0.5324	2.6923	1.6965	1.6056	0.5974	1.3165	0.3344	0.8279	0.3344	0.3344	3.0071	0.8970	1.3550	0.7060	0.3344	0.9414	1	0.3344	0.5127	1.1684	2.5928	0.9423	0.3344	0.6739	0.3344	0.3344	0.3729	2.8367	1.3860	1.8034	0.8315	1.1649
tetradecadienoate (14:2)*	Tetradecadienoic acid	0.3057	0.3838	0.5155	1.1062	0.4846	1.3098	2.1261	0.8605	0.5646	0.9469	0.4436	1.0188	1.2532	0.3371	0.4237	0.4529	0.4154	0.8809	1.4402	2.6882	2.6200	1.2893	1.3330	1.1909	3.2769	0.5054	1.1438	1.3580	0.9812	0.7852	3.2669	2.1734	0.7988	1.5024	0.5741	2.5580
thymidine	Thymidine	1.1813	0.9606	1.0938	0.7606	0.9311	0.9672	0.4914	0.6028	0.8653	0.8762	0.8845	1.0504	0.6714	0.7664	0.9993	0.7959	0.9832	0.6918	1.4539	1.3385	1.2321	1.0664	1.4745	1.8169	1.3988	0.9244	1.2183	1.0007	1.1763	1.1569	0.7704	1.3512	1.0469	1.7068	0.8809	1.2856
tyrosylglycine	Tyr-Gly	1.1864	1.4097	1.0200	0.6508	0.5862	0.5235	0.6992	0.6731	1.1977	0.8508	1.1594	1.2078	0.4726	0.7659	0.9976	0.8926	0.9688	0.7291	1.0024	0.9915	1.1732	0.9695	0.9768	1.0065	0.8225	1.0218	1.0151	0.8544	1.1571	0.7243	1.2178	1.2953	1.0393	1.1632	1.1885	1.1910
undecanedioate (C11-DC)	Undecanedioic acid	1.0166	0.6322	1.0481	1.3002	0.3767	1.3914	0.9834	0.9498	1.1215	0.6457	0.7114	0.6271	0.6775	0.6601	0.4284	1.4406	0.4215	0.6702	1.1042	1.2460	1.4095	0.7126	0.8168	1.1287	1.5387	0.8085	1.1128	1.3627	1.0277	1.1669	0.7185	1.1589	0.9758	0.7865	1.0435	1.0915
urate	Uric acid	0.4802	1.7125	0.4111	0.4184	0.3641	0.5139	0.5259	0.4168	0.2576	0.3053	0.3925	0.8024	0.4275	0.6698	0.8554	0.5876	0.2656	0.5882	1.5852	1.7544	1.4779	1.1111	1.2962	1.2115	1.7880	1.5882	1.9083	1.2725	1.6390	1.4068	1.8261	1.3411	0.9204	1.0796	1.4739	1.3266
uric acid ribonucleoside*	3-(beta-D-Ribofuranosyl)uric acid	0.3603	1.2970	0.9759	0.9038	1.2902	1.0805	0.6893	0.9804	0.7085	0.8052	1.2190	1.0784	0.7266	1.5755	0.6622	0.8873	1.2430	0.7152	1.3240	1.1642	0.8592	0.7988	1.0196	1.4269	1.7636	0.8532	1.2836	0.8261	1.1789	1.2871	0.5652	1.7701	0.6231	1.6684	0.7866	1.1297
uridine	Uridine	1.1291	1.0905	1.0770	1.0245	0.9391	0.8756	0.7408	0.8442	1.0535	0.9602	1.0595	1.0972	0.8067	0.9060	1.0200	0.9514	1.0646	0.9883	1.0003	1.0859	0.9688	0.8697	1.0525	1.1965	0.9579	0.9023	0.9774	0.9322	1.0851	1.0551	0.7436	1.0170	0.9997	1.0404	1.0034	0.9511
X-11979		0.5955	0.3499	0.8184	0.7267	1.8034	1.7607	0.4397	0.9876	0.7641	0.5694	0.6231	0.5938	1.7015	1.2208	0.9629	1.1881	0.7846	1.0124	1.0134	0.8539	1.8397	1.1544	0.6700	0.6515	1.8304	0.8837	1.3823	0.8799	1.1421	1.0878	2.2348	1.4095	1.0125	1.4893	0.8398	1.3674
X-12015		0.4028	1.4388	2.3303	1.3323	1.1879	1.0320	0.3756	1.7058	1.3704	1.5713	1.1993	1.6800	1.0296	1.4069	2.0615	2.0837	0.9704	1.6270	0.1325	0.1325	0.8841	0.1325	0.3386	0.2678	0.1325	0.3747	0.2449	0.1325	0.3529	0.1325	0.6440	0.1325	0.3851	0.7220	0.3530	0.7719
X-17010		3.0869	1.1473	1.9329	0.8552	1.0199	0.7149	1.7288	0.6133	1.6328	1.1374	1.7173	1.3962	0.5309	0.4077	0.8496	0.6913	1.2140	1.6626	1.2597	1.6385	0.6881	1.3460	0.8802	1.7193	0.6570	0.5658	1.0046	0.5735	1.0984	1.0137	0.6055	0.9954	0.9093	0.7197	0.6402	0.9637
X-18059		3.3988	1.8266	1.0697	0.3965	0.5446	1.4578	0.9224	1	0.6367	0.5273	1.6073	0.6293	0.3965	0.4206	0.4514	0.6712	0.5957	0.7736	1.0982	1.3585	6.7704	29.8157	2.1786	29.4335	3.5816	0.5290	0.6944	0.7707	1.1716	8.6993	1.2914	1.9889	0.4597	0.3965	0.3965	0.6721
X-21796		1.2443	0.7125	1.2869	0.8460	0.8744	0.8107	0.8684	0.7663	1.0879	1.1647	1.2308	0.5671	0.7880	0.6530	0.7047	0.9273	1.1922	0.7279	1.0510	0.9330	1.0983	1.0768	0.8694	0.9515	0.7519	1.0998	1.4190	0.6674	1.2459	1.0051	1.1688	1.0760	1.5289	0.9949	1.0560	1.1713
X-22776		1.4703	0.6075	1.2401	0.7522	0.9364	0.7225	1.4430	0.8661	1.0934	1.0085	0.8363	0.5708	0.7106	0.7939	0.7306	0.5129	1.1949	1.0979	1.6917	1.6118	1.2146	1.3994	1.4212	0.9915	0.9514	1.0629	1.3645	0.8279	1.3190	0.9148	0.9359	0.8993	1.2514	0.7296	1.1980	1.1146
X-23974		0.0533	0.0589	0.0413	0.0797	0.0413	0.0413	0.0413	0.0707	0.0413	0.0413	0.1603	0.0665	0.0541	0.0413	0.0413	0.0630	0.0413	0.0413	1.7296	2.5081	1.7525	1.0765	0.8063	1.0809	2.3187	1.2258	1	0.8698	1.5004	1.3674	0.9966	1.3681	1.6382	1.5152	0.8575	1.3537
X-25004		1.0401	1.6035	1.9270	1.6155	0.9339	1.0254	0.2932	0.9982	1.2927	0.9877	1.2930	1.3613	0.8760	0.7643	2.1312	1.0434	1.4182	1.0081	0.5617	0.9104	1.3310	1.2410	1.0018	1.8185	0.8389	0.9335	0.9643	0.7186	1.2274	0.6568	0.7905	0.7952	0.9770	0.5789	1.2189	0.8309
X-25102		1.0880	1.6455	1.9252	1.5874	0.9805	1.1198	0.2699	0.9552	1.2255	0.9110	1.2477	1.5151	0.8490	0.7676	2.0208	1.0717	1.3852	0.9201	0.5565	1.0230	1.3304	1.2627	0.9627	1.7990	0.8742	0.9401	1.0155	0.7387	1.1024	0.6995	0.7727	0.8468	0.9845	0.5792	1.1511	0.8845
X-25921		2.0561	2.2701	1.6079	0.7632	0.5568	0.6153	0.5534	0.6152	1.7870	1.0738	1.5507	1.9339	0.4150	0.9185	1.2020	0.9487	1.7225	1.0630	0.9362	1.0056	1.2968	0.8532	0.7253	1.0111	0.9542	0.7971	0.9944	0.7271	1.1342	0.9213	0.8459	1.1154	1.0133	1.3492	1.2271	0.9881
X-25940		1.7916	2.1119	1.4191	0.7079	1.1043	1.0159	0.8635	0.7671	1.7352	1.2016	2.0543	1.6217	0.6159	0.9574	0.8154	1.3070	1.7832	1.1943	1.1778	0.6906	0.9102	0.9042	1.0120	1.0199	0.9383	0.8601	0.9274	0.6247	0.8626	0.6755	0.9880	1.2068	1.1163	1.5003	0.9490	0.8159
X-25984		3.4346	2.1787	0.5321	0.5228	0.3183	0.1202	0.2412	0.3778	0.9875	0.5103	0.7180	0.9758	0.3440	0.3686	0.4383	0.4976	0.4837	0.4718	0.9537	1.5039	1.0195	1.4407	1.8868	3.4886	1.0125	1.5193	2.3839	1.3525	1.8350	2.0944	0.1848	1.6440	3.2753	1.8541	2.9144	1.0961
X-26127		1.8271	1.6802	1.3935	1.0744	1.5486	1.5032	2.0404	1.3173	1.7259	1.4812	1.8471	1.5159	1.1088	1.4112	0.9445	1.5261	1.5200	1.6917	0.7860	0.6517	0.7333	0.6825	0.9150	0.8792	0.6948	0.7837	0.7295	0.7233	0.7813	0.6810	0.7822	0.8380	0.9359	1.0555	0.7800	0.7549
xanthine	Xanthine	0.9725	1.2118	0.9992	0.9822	1.0008	1.0861	0.8177	0.8470	0.9383	0.8355	1.0367	1.0926	0.9264	0.8780	1.0758	1.0408	0.8753	0.7042	1.0234	0.9083	0.8727	1.1337	1.0310	0.9463	1.0751	1.0804	1.1725	0.8610	1.1077	0.9970	1.1046	1.0896	1.1802	1.1379	0.9317	0.9815
xanthosine	Xanthosine	0.8790	1.0905	0.9729	1.1557	1.0718	1.2053	0.6648	0.9811	0.9535	0.6656	0.6682	0.9687	0.9568	1.0402	1.4303	1.3364	0.7062	0.7218	1.0045	1.0765	0.8613	1.4898	0.9746	0.8790	1.2931	1.2215	0.9955	0.9584	1.3840	1.4210	1.1280	1.2768	1.3311	1.2836	0.9247	0.9368