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
1-methyl-4-imidazoleacetate	Methylimidazoleacetic acid	1.0029	0.4871	0.4358	0.3992	0.5541	0.5448	0.6674	0.2784	0.4056	0.3673	0.6973	0.3505	0.4931	0.3726	0.6683	0.4309	0.3243	0.2907	1.8322	0.9971	1.4593	1.7584	1.8649	2.1124	1.8975	3.0421	1.2858	1.7092	1.8162	1.2262	1.6805	1.9225	1.1953	1.3339	1.9990	1.9714
1-methyl-5-imidazoleacetate	1-Methyl-5-imidazoleacetic acid	2.8937	0.9395	1.4105	0.4877	0.8255	0.6032	1.9139	0.6361	2.0319	0.8028	1.4503	1.0660	0.5582	0.6531	1.0112	1.0422	0.7031	0.6216	3.6327	1.6904	0.7305	0.5887	0.4436	1.9963	0.9888	0.7357	1.6669	0.9583	0.9831	1.1678	0.7581	1.1777	1.0850	5.3050	1.1873	1.1509
1-methyl-5-imidazolelactate		1.3946	1.5487	1.2075	0.9965	1.1172	0.9788	0.9869	1.0785	1.6551	0.9490	1.1213	1.5745	1.1111	1.4166	1.3507	1.2257	0.8702	0.7389	1.0565	0.9510	0.8224	1.0035	0.7783	1.0281	0.8523	0.9174	0.8961	0.7556	0.5586	0.8715	0.9469	1.1168	0.9587	1.4102	1.0348	0.9625
1-methylguanidine	Methylguanidine	0.9703	0.6044	0.7983	0.9256	0.6661	0.8433	0.7712	0.7213	0.8724	0.7083	0.9429	0.9007	0.6426	0.6428	0.6442	0.9416	0.9385	0.7936	1.2825	1.3908	1.3796	1.4052	1.2622	1.1867	1.2209	1.2776	1.2714	1.0753	1.2989	1.2249	1.1538	1.3431	1.4897	1.4108	1.0297	1.2182
1-methylhistamine	1-Methylhistamine	0.9364	0.3664	1.0550	0.5989	0.5733	1.1363	0.7510	0.3309	0.9619	0.6787	0.7620	0.4903	0.9058	0.3626	0.5435	0.5954	0.6150	0.4384	1.3417	0.6443	1.4239	1.2466	2.0975	1.4748	1.3829	2.6289	1.1102	1.2169	1.4336	0.7235	1.2773	1.4458	1.0381	1.3108	1.2303	1.8907
1-methylhistidine	1-Methylhistidine	0.6437	1.3047	0.5923	1.5979	2.3292	0.6901	1.2160	0.7843	0.5594	0.9003	0.8537	0.8573	1.5212	0.8160	1.2737	0.7529	0.5672	0.7720	1.2205	0.5576	0.7357	1.1566	1.1527	0.7258	0.7798	1.7328	1.0997	0.7114	1.3637	1.4830	1.3139	1.5373	1.3415	0.6975	1.4058	1.3170
2_8-quinolinediol	Quinoline-2,8-diol	1.0079	1.1414	1.0083	2.0587	2.1770	1.0008	0.3814	0.5933	0.5297	0.5439	0.5350	1.4195	1.5447	0.5332	0.9992	0.6461	0.4968	2.2652	0.3814	0.3814	0.3814	0.3814	0.3814	0.3814	0.3814	0.3814	0.3814	0.3814	0.3814	0.3814	0.3814	0.3814	0.3814	0.3814	0.3814	0.3814
2-aminoheptanoate	2-Aminoheptanoic acid	1.2729	3.2028	0.9310	0.3857	1.2579	1.3528	0.3163	0.4452	1.0268	0.8226	1.5083	3.2699	0.5244	0.4301	1.2800	0.9645	1.8092	0.3163	0.8463	0.6652	1.0055	1.1548	0.7361	1.1798	0.7139	0.3163	1.1674	0.3163	1	0.5472	1.0913	0.4435	0.5131	1.4541	1.0615	0.8847
2^-deoxycytidine 5^-monophosphate	dCMP	0.3645	0.3645	0.9243	0.3645	0.3645	0.3645	0.6361	0.3645	0.3645	0.5854	0.3645	0.9240	0.3645	0.3645	0.3645	0.4636	0.4556	0.3645	1.2628	0.8968	1.3678	1.8029	2.2796	2.0720	0.8438	1.6017	1.1050	0.4660	1.0757	0.3742	0.6496	1.3348	1.4294	1.8650	0.3645	1.7826
2^-deoxyguanosine 5^-monophosphate (dGMP)	dGMP	1.2457	0.4984	1.1639	0.8409	1.1714	0.9503	0.6606	1.4265	1.3647	1.0956	1.5134	1.0352	0.8836	0.4984	0.9607	1.4511	1.8730	1.2737	0.8885	1.5335	0.4984	0.7337	1.3269	0.8555	1	0.7090	1.0101	0.5382	0.9606	0.5973	0.9196	0.4984	1.2709	0.8048	0.9620	1.1552
2-methylbutyrylcarnitine (C5)	CAR 4:0;2Me	0.9938	0.8146	0.7986	0.5147	0.9603	0.8596	0.7130	0.6490	0.9088	0.5959	1.5969	0.9180	0.5729	0.9239	0.7700	0.9457	0.8450	0.7626	0.8928	1.1922	1.7017	1.4085	1.0062	1.0726	1.5568	2.0114	1.3932	1.1557	1.4086	1.3062	1.4571	1.4320	1.5357	1.8460	1.2763	1.5393
2-methylmalonylcarnitine (C4-DC)	CAR DC3:0;2Me	1.4472	1.1544	0.9279	1.0049	1.0488	1.1620	0.7157	0.6649	1.1187	0.8701	1.0272	0.9292	0.7990	0.8245	1.1852	0.8480	0.7282	0.9935	1.0333	0.9547	1.2659	1.1380	0.9057	0.9718	0.7292	1.2240	0.9951	0.7190	1.1032	1.5151	1.0358	1.2507	0.9386	0.8579	1.1424	1.3597
2^-O-methylcytidine	2'-O-Methylcytidine	0.8962	0.6671	1.1127	1.0089	1.1932	1.7827	0.6671	0.9911	0.6671	0.8849	1.0785	0.6671	1.3861	0.7751	0.8655	0.6671	0.6671	0.6671	0.6882	0.6671	1.1144	1.1644	1.1433	0.6671	0.7424	1.0216	0.7402	1.3544	1.8380	1.2882	0.7282	0.8486	0.7862	1.8150	0.8947	0.8766
2-oxoarginine*	2-Oxoarginine	1.0214	1.5386	0.7765	0.5081	0.2793	0.5860	0.3683	0.4561	0.6070	0.5303	1.2897	0.8167	0.4733	0.8638	0.9650	0.8943	0.8629	0.5210	2.1076	1.0464	1.2934	1.0212	0.9816	3.7331	3.6985	1.7932	2.1286	1.0658	1.0163	0.9468	1.1254	1.6040	0.9837	1.1027	1.4103	1.5032
3-amino-2-piperidone	3-Amino-2-piperidone	0.5603	0.5916	0.5189	0.5991	1.3202	0.5542	0.3992	0.5936	0.4121	0.4003	0.5642	0.3965	0.7480	0.6767	0.7609	1.0745	0.6319	0.4304	1.2072	0.9255	1.5306	1.1845	1.3976	1.2743	1.4325	1.5924	1.3284	0.7939	1.4330	1.2699	1.4436	1.3867	1.1003	1.3173	1.2177	1.8682
3-aminoisobutyrate	3-Aminoisobutanoic acid	0.8395	0.9949	0.9800	1.3930	0.3600	0.7992	0.5606	0.3999	0.6330	0.7399	1.3714	1	0.4537	0.6975	0.6989	0.3600	0.5133	0.3726	1.3659	1.0726	1.3909	1.2624	1.0300	1.0803	1.0083	0.9122	1.2911	0.8440	1.5136	1.1493	1.8500	2.0145	1.2257	1.1575	1.5225	0.7846
3-formylindole	1H-Indole-3-carboxaldehyde	2.1926	1.9444	1.7356	1.4502	1.0035	1.0144	0.4839	1.1682	1.5387	1.1099	2.6314	1.3781	0.9107	1.3607	2.5960	1.9076	1.4279	0.8340	0.8659	0.9339	0.9566	1.3216	1.0072	1.2931	0.9965	0.9373	0.5963	0.5301	0.5598	0.7183	0.7090	0.8129	0.9404	0.7524	0.4593	0.7877
3-hydroxybutyroylglycine**		0.8333	0.7842	0.6310	0.8269	1.2765	1.0373	0.4988	0.8224	0.7741	0.9080	1.0334	1.2175	1.1230	0.9164	0.8511	0.8928	0.8126	0.8239	1.2243	1.0094	1.1295	1.1356	0.9064	0.9514	1.1754	1.3181	1.1172	0.8297	1.2633	1.0752	0.9906	1.2699	1.2348	1.4389	0.9065	1.1414
3-hydroxyhexanoylcarnitine (1)	CAR 6:0;3OH	0.9481	0.2728	0.9288	0.8639	2.0492	2.0584	0.9910	1.5035	1.0090	0.7529	1.5449	0.4213	1.2379	1.5766	2.0925	1.8112	0.8782	0.6912	0.6029	1.4230	1.0825	0.8207	0.7918	0.4142	0.9892	0.7509	1.0249	0.7638	1.0541	1.6293	1.8439	1.0469	0.8065	1.1399	0.4808	1.1036
3-hydroxyhexanoylcarnitine (2)	CAR 6:0;3OH	0.6234	0.1731	0.7777	0.9186	1.8258	1.8256	0.7144	1.0769	0.6485	0.6774	1.1847	0.3940	1.1258	1.2136	1.5643	1.4191	0.6681	0.6917	0.5281	1.0674	1.0251	0.8632	0.7747	0.3841	0.8136	1.0096	1.1006	0.6548	1.1317	1.7559	1.9504	1.0555	1.0207	1.1220	0.4513	0.9904
3-hydroxyoctanoylcarnitine (1)	CAR 8:0;3OH	2.2464	2.3273	0.7574	0.8771	4.7032	2.9534	0.6556	2.0046	0.8475	0.4799	0.9169	0.5325	2.1080	2.7183	1.6488	1.4383	0.9953	0.4799	0.9634	1.5704	1.6630	0.6503	0.8996	0.7563	0.9341	0.8975	1.2245	0.4799	1.3590	3.0928	4.5145	0.8757	1.0047	2.2566	0.7031	0.9798
3-hydroxyoctanoylcarnitine (2)	CAR 8:0;3OH	0.7973	0.5731	0.8685	1.2023	2.1780	3.5450	1.6637	1.4592	0.9027	0.7508	0.9528	0.6742	1.9412	2.0142	1.9734	1.6386	1.0539	0.9532	0.6280	1.0412	1.0899	0.8350	1.1372	0.7242	0.9260	0.9363	0.9327	0.7927	1.1460	1.8145	2.5152	1.1370	0.9588	1.0868	0.5626	0.9468
3-methoxytyrosine	3-Methoxytyrosine	0.8626	1.0025	3.0671	1.0713	1.2909	1.0375	1.5652	0.5929	3.0641	2.8602	1	1.0079	1.1259	0.8346	1.0252	0.8040	1.5914	1.8142	0.9262	0.4684	0.7514	0.8725	0.2822	0.6268	0.5302	1.8751	0.8032	1.4930	1.3396	0.7830	0.7736	0.2822	1.2913	0.5158	0.5793	0.6793
3-ureidopropionate	Ureidopropionic acid	1.2778	0.6751	1.3133	1.6558	0.6235	2.4017	1.5148	0.6332	0.0739	0.8769	0.1953	0.6834	1.9599	1.4826	0.9925	0.7921	1.0413	1.1986	0.9819	0.9748	1.0336	1.5018	0.7684	0.7378	1.4151	1.0160	0.7445	0.4959	1.0075	0.6674	0.6319	1.0471	1.1023	1.0864	1.1438	0.8664
4-acetamidobutanoate	4-Acetamidobutanoic acid	0.9033	0.9547	0.9349	0.4209	0.9971	0.7526	0.8794	0.7517	0.9062	0.4680	1.1747	0.2104	0.2104	0.4986	1.0598	0.7021	1.1700	0.2104	1.2275	0.8655	1.1921	1.7085	1.0029	1.3142	1.0506	1.5348	1.4205	0.8413	1.3206	1.4318	0.9939	1.5561	2.3204	1.3648	1.8463	0.9921
4-guanidinobutanoate	4-Guanidinobutanoic acid	1.0042	1.2309	1.2129	0.5717	0.9502	0.9591	0.5969	0.8802	0.8325	0.6813	0.4056	0.7063	0.9103	1.0336	1.2002	1.1893	0.7534	0.6529	1.1227	1.0886	0.5724	0.7360	0.9154	1.2860	1.2635	1.1195	1.2156	0.6075	1.1858	1.0835	0.9986	1.2145	1.0014	0.8833	1.1873	1.1343
4-hydroxybutyrate (GHB)	4-Hydroxybutyric acid	1.0294	0.9574	0.8973	0.8717	1.4198	1.0949	0.7807	0.4887	0.7971	0.8278	0.6653	0.7797	0.8789	0.9491	0.8065	0.8022	1.5129	0.8023	1.1235	0.8608	1.8397	1.2645	1.2125	1.7461	0.9706	1.6084	1.4109	0.7640	1.8581	1.4411	1.8873	2.4424	1.4632	2.4433	0.8667	1.2377
4-hydroxyglutamate	Erythro-4-hydroxy-glutamic acid	1.0548	1.5383	0.7624	0.8186	0.5565	1.1051	0.6802	0.4675	1.0535	0.6510	0.8217	0.9287	0.7533	0.5622	0.3888	0.6665	0.8664	0.7306	1.5993	1.1089	1.1339	1.0570	0.9888	1.3767	1.5545	1.0112	1.5468	0.7941	1.1166	0.6644	1.0329	1.4092	0.9556	1.3429	1.2439	1.1596
4-hydroxyphenylacetoylcarnitine		0.8227	2.0967	0.6981	1.1096	1.8151	1.8475	0.3014	1.0207	0.3764	0.5428	1.1600	1.8409	1.1066	1.2707	1.6203	1.2454	1.0014	0.9986	0.7152	1.1084	1.0562	1.2154	0.5627	0.9208	0.7549	0.8530	1.0115	0.5151	0.7566	0.8911	0.8841	0.9482	1.2730	1.3529	0.8101	0.8554
5_6-dihydrothymine	Dihydrothymine	1.8919	1.2488	0.3478	0.3478	1.6592	0.4994	0.3478	0.3478	0.5757	0.3478	1.5585	0.3478	0.9429	0.7934	0.6200	0.9062	1.0719	0.8300	0.9025	0.5341	0.9333	1.2491	1.2930	0.9515	1.6541	1.4342	0.9886	1.7422	1.0114	1.3728	1.2784	0.4715	1.6781	0.7596	0.3478	1.4197
5-aminovalerate	5-Aminopentanoic acid	1.7326	1.5454	1.0502	0.5498	1.9311	1.1379	0.6839	1.8296	0.4533	0.9263	0.8673	1.4401	0.9430	1.5050	1.4704	1.7950	0.8749	1.0035	0.9504	0.8152	1.5775	0.9167	0.6756	1.2403	0.4270	0.6421	1.0005	0.7954	1.5721	1.1816	1.0547	0.9995	0.8962	0.6265	0.9149	1.6657
5-(galactosylhydroxy)-L-lysine	5-(Galactosylhydroxy)-lysine	1.0222	1.1974	1.0377	1.2036	0.8695	1.0091	0.5802	0.7747	1.0950	0.8854	1.1032	1.2652	0.8740	0.7780	1.0104	1.0436	1.4478	0.9909	0.9197	0.9171	0.9620	1.2829	0.9318	1.0186	0.8944	1.3372	1.0659	0.8465	1.4338	0.8799	0.9823	1.0462	0.9887	0.7029	1.1509	0.9762
5-hydroxylysine	5-Hydroxylysine	0.8150	1.0112	0.8232	0.9325	0.7797	0.8539	0.4571	0.6750	1.0773	0.6785	0.7713	1.2776	0.6972	0.7106	0.9740	1.1919	1.0672	0.3924	1.1805	0.8217	1.1589	1.0433	1.4195	1.6891	1.1357	1.1153	1.0004	1.0243	1.3330	0.9372	1.1486	0.8323	0.7396	0.9996	1.2008	1.0750
5-methylthioadenosine (MTA)	5'-Methylthioadenosine	0.3524	0.2067	0.8281	1.1083	2.2778	1.3538	0.2067	1.5848	1.2290	0.8083	0.7392	0.2789	1.9929	1.6153	2.7592	1.8080	0.3369	0.9224	0.3114	1.5780	0.9073	0.3358	0.2345	0.5515	0.7984	1.4130	1.4841	1.0827	1.7461	1.9424	0.2067	1.0776	0.3234	0.3961	1.1395	0.8987
5-methylthioribose**	5-Methylthioribose	1.3027	0.6615	0.5240	0.6220	2.0173	1.2326	0.5587	0.8890	0.8305	0.3135	0.3135	0.7630	0.6364	1.2315	1.2891	0.9730	0.6933	0.3135	1.1282	1.3768	0.9101	1.5052	0.7003	1.1091	0.6752	1.5343	1.5073	0.9457	0.3135	1.6443	1.5136	1	1.4359	1.2568	1.1119	0.8262
7-methylguanine	7-Methylguanine	1.1764	0.4088	0.8390	0.8786	0.7999	1.2206	0.8180	0.7622	0.8072	0.4970	0.8711	0.7453	0.9447	0.7801	0.8513	1.1473	0.8881	0.6826	1.1306	1.1708	1.1145	1.0510	1.0735	1.2752	1.0392	1.1518	1.1330	0.7176	0.9756	1.4009	1.2240	1.0244	1.4477	1.4085	0.8436	1.1485
acetylcarnitine (C2)	CAR 2:0	1.0413	1.0480	0.8230	0.8908	0.9935	0.9509	0.7623	0.9276	0.7490	0.7418	1.1984	1.0513	0.8156	0.9558	0.9452	1.0461	0.9890	0.9360	1.0587	1.1093	1.0758	1.0236	0.8724	0.8495	1.0021	0.9979	1.1050	0.8308	1.0336	1.1128	1.1130	1.0063	1.0907	1.0566	0.9498	1.0313
adenine	Adenine	0.3905	0.4922	0.8099	0.7604	1.1205	1.1912	0.9680	0.5305	0.4986	0.6801	1.3873	0.9771	1.1956	0.7131	0.7401	0.9895	1.2665	0.7177	1.4026	0.7023	1.0852	1.3033	2.9065	1.7749	2.5394	0.8833	0.8566	0.7139	1.0839	1.4211	1.5627	1.0754	2.3672	1.3723	0.4450	1.0105
adenosine	Adenosine	0.5293	0.4693	0.9855	0.7678	0.7158	1.2662	1.0511	0.4351	0.4111	0.3878	1.1652	1.4234	0.9134	0.5949	0.8634	0.9810	1.4215	0.8025	1.6901	0.7713	1.0826	1.0685	3.1220	1.2127	2.0193	1.2923	1.0854	0.7074	0.9256	0.9034	1.2583	1.0145	1.5802	1.2840	0.9171	1.2629
adenosine 5^-diphosphate (ADP)	ADP	1.2849	1.3414	0.9964	0.9127	1.6617	1.0956	0.1510	1.2638	1.3214	1.0036	1.5597	0.8112	0.6983	0.5889	1.1397	1.2347	1.4752	0.9897	0.9531	0.7655	0.9843	0.5584	0.8554	0.8788	1.0039	0.7120	1.1745	0.8950	0.9457	0.5252	1.0543	1.3128	0.8983	1.1504	1.0143	1.3103
adenosine 5^-diphosphoribose (ADP-ribose)	ADP-ribose	0.9514	0.6501	0.6379	0.5762	1.2712	1.5313	0.6272	1.4652	0.8169	0.7664	0.9716	0.4414	0.9930	1.3486	1.0070	1.3109	0.6618	0.5970	0.7894	1.2957	1.1930	0.9879	0.3616	0.5158	1.4287	1.0241	1.6363	1.0703	1.5391	1.4339	1.6508	1.1920	0.7401	0.4878	1.6482	1.1662
adipoylcarnitine (C6-DC)	CAR DC5:0	2.0289	1.1669	0.9658	0.8043	0.6846	0.4412	0.7923	0.2946	0.8413	0.4136	1.6435	1.2679	0.3355	0.5109	0.6210	0.4876	1.0334	0.9840	1.1882	1.7791	1.4338	1.1769	0.9293	1.0160	1.0601	1.2125	1.5829	0.9026	1.2443	0.9299	0.7725	1.4871	1.6094	1.4729	0.8187	1.1408
AICA ribonucleotide	AICAR	0.6861	0.9974	0.6247	0.7176	1.7852	2.6555	0.2793	1.0825	0.9759	0.8537	1.2690	1.1867	1.0670	1.7152	2.0321	1.8919	0.9697	0.9932	0.3695	1.2815	0.4906	0.5082	1.1459	1.0877	0.8091	1.0011	0.7900	1.0413	1.1803	1.5810	1.7234	0.7548	1.4035	0.7285	0.4808	0.9989
alanine	Alanine	1.0207	1.1363	0.8566	0.8792	0.7321	0.9449	0.5874	0.6742	0.8948	0.7477	0.9953	0.9673	0.8645	0.9584	0.8117	0.8327	0.9641	0.8541	1.1691	1.0047	1.2302	1.1187	1.0966	1.1380	1.1688	1.1749	1.2767	0.9315	1.2344	1.0442	1.2155	1.2288	1.1415	1.2256	1.1119	0.9400
alanylleucine	Ala-Leu	1.8373	2.1611	1.1166	0.7131	0.8119	0.5107	0.3978	0.7839	1.6636	0.9788	1.5183	1.8390	0.4443	1.0120	1.6527	1.0212	1.2453	0.9799	0.9880	1.5646	0.8942	1.0268	0.9101	1.1765	0.9134	0.8991	0.6807	0.7648	1.2255	1.0610	0.8341	1.3028	0.9742	1.0866	0.9393	1.1024
anserine	Anserine	1.2036	1.0466	1.3080	1.0444	1.1427	1.0116	0.9821	0.9884	1.5272	1.2729	1.2142	1.0186	0.8552	1.0627	1.2520	1.0413	1.1711	1.0166	0.9207	1.0757	0.9137	1.0183	0.7854	0.8480	0.7617	0.9289	0.8413	0.8241	0.8790	0.9330	1.0195	0.9526	0.9466	0.9335	0.9212	0.8546
argininate*	Argininic acid	0.8802	0.5771	0.4716	0.5773	0.4939	0.5578	0.4417	0.7225	0.8042	0.4236	1.2155	0.7585	0.5566	0.8862	0.8548	0.8504	0.7543	0.7903	1.4802	1.2294	1.1319	1.1710	1.1090	2.8023	1.8035	1.5324	1.4787	1.2073	0.8910	1.5070	1.4678	2.1896	1.2234	1.4420	1.1254	1.3742
arginine	Arginine	1.0366	1.2816	1.0937	0.8915	0.6577	0.9614	0.8273	0.8881	1.1485	0.9292	1.0892	1.1704	0.8723	1.0552	0.8602	1.0749	1.1209	0.8021	1.0350	0.9484	1.0806	0.9826	0.8536	0.9593	1.0536	1.0174	1.2074	0.9033	1.1594	0.9263	0.6227	0.9755	0.9815	1.0803	1.1067	1.0287
argininosuccinate	Argininosuccinic acid	0.8148	3.0902	0.6369	0.7953	0.5296	0.7800	1.0104	0.6430	0.4650	0.5483	0.5871	0.6709	0.8016	0.9072	0.3054	0.9226	0.6660	0.3955	2.5151	0.8434	3.2997	1.8521	1.5076	1.2577	2.0842	2.1128	3.6416	1.1837	1.6617	0.9896	2.0616	1.5744	1.5582	1.5438	3.1519	2.3025
asparagine	Asparagine	0.9485	1.4323	1.0958	0.9542	0.8780	0.8891	0.5398	0.8170	0.9638	0.9273	1.2063	1.1644	0.9832	0.9449	0.9653	1.0029	1.1099	0.9115	1.1374	0.7415	1.3468	1.0341	0.9227	0.8950	0.8937	1.1241	1.2729	0.8919	1.2744	0.9971	1.1036	1.1677	1.1100	1.1477	1.1550	1.1570
aspartate	Aspartic acid	0.4068	1.2227	0.7869	0.3316	0.3855	0.6328	0.5214	0.2642	0.7189	0.6399	1.0036	1.0923	0.5094	0.3240	0.3551	0.5009	0.9964	0.5738	1.9204	0.4876	1.2901	1.4747	1.5654	1.6263	1.4510	1.5626	1.9062	0.9019	1.3587	1.3017	1.5181	1.2385	2.0677	0.9847	2.0165	1.3091
benzoylcarnitine*	Benzoylcarnitine	0.2475	0.5233	0.1342	0.2165	0.3857	0.4913	0.0740	0.2267	0.1362	0.0680	0.3830	0.6148	0.3823	0.3155	0.2431	0.4771	0.2202	0.1870	2.8610	2.1734	3.0345	2.8759	2.4139	3.1398	3.7340	3.6010	2.3941	1.3852	2.4005	3.2057	1.8261	3.0573	3.2670	2.9689	2.6461	2.7116
beta-alanine	beta-Alanine	1.5775	1.1828	0.8615	1.3985	1.0033	0.8872	0.6205	0.8457	1.0915	0.9005	1.4972	0.9821	0.9025	0.9108	0.9854	1.4203	0.9703	0.6961	0.7083	0.9967	0.8640	0.7297	1.0536	0.8164	1.2405	1.9436	1.1904	0.9269	1.1833	0.9182	1.1016	1.2232	1.5563	1.1898	1.2788	1.1781
beta-hydroxyisovaleroylcarnitine	CAR 4:0;OH,Me	0.7398	0.7629	0.4480	0.5531	1.0790	0.8797	0.2984	0.4960	0.3157	0.3946	1.0699	0.7518	0.6042	0.4158	1.1427	0.6879	0.5925	0.8961	0.9688	1.1927	1.3971	1.6207	1.1702	1.0721	1.1367	1.1448	0.9801	0.8887	1.3023	2.0685	1.9384	1.1170	1.1131	1.2747	1.0199	1.2712
betaine	Betaine	0.8389	1.2870	0.9068	0.9418	1.3160	1.2066	0.6963	1.1439	0.7562	0.8106	1.5371	1.2430	0.9129	1.2029	1.2737	1.2911	1.2021	0.6808	1.1554	1.1980	0.9717	1.3905	0.9718	0.9285	1.4000	0.8578	0.9875	0.7330	0.9738	0.9043	0.9403	1.5233	1.0900	1.1377	0.9516	1.0125
butenoylcarnitine (C4:1)	CAR 4:1	6.8291	5.4743	1.2971	1.2899	2.1019	1.5410	0.4129	0.9482	1.4154	0.7713	1.7689	1.2121	1.2753	1	1.7356	1.1793	1.2970	0.7393	0.1591	0.1591	0.2847	0.4406	0.1591	0.1833	0.6656	0.6536	1.0201	0.1591	0.1591	0.8022	0.1591	0.1591	0.1591	0.3378	0.5504	0.3250
butyrylcarnitine (C4)	CAR 4:0	1.1099	0.8432	0.9067	0.8711	1.0765	0.9730	0.7782	0.9985	0.8678	0.8531	1.3951	0.9487	0.7874	0.9917	1.1229	1.1421	0.9169	0.9578	1.0194	1.1405	1.0758	1.0015	0.8513	0.7526	1.0590	0.9836	1.1501	0.8255	1.0238	1.1280	1.1731	1.0258	1.1164	1.2091	0.9145	1.0543
cadaverine	Cadaverine	0.2777	0.2777	0.2777	0.2777	0.2777	0.2777	0.2777	0.2777	0.2777	0.2777	0.2777	0.2777	0.2777	0.2777	0.2777	0.2777	0.2777	0.2777	1.9051	2.1241	0.5560	0.2777	39.8752	0.3966	0.7741	0.2777	1	0.2777	0.2777	0.2777	2.3329	7.8014	0.7826	1.3699	0.2777	0.7537
carboxyethyl-GABA	N-Carboxyethyl-gamma-aminobutyric acid	1.1085	0.3253	0.8362	0.5003	0.3253	0.3253	0.3253	0.8981	0.3253	0.3253	0.3253	0.3253	0.3253	0.3253	0.3253	0.3253	0.8073	0.3253	8.5064	0.9732	1.0961	1.1745	0.7274	1.4307	2.0166	1.0268	0.9452	1.3776	0.3253	0.6627	1.3941	0.6214	0.8671	0.3253	1.2027	1.1344
carboxymethylarginine		1.2927	0.5807	0.6674	0.6537	2.0547	1.4223	0.6437	0.6351	0.9057	0.5205	1.2489	0.8314	0.8992	0.5853	1.9031	0.8972	0.8401	1	1.1941	0.9442	1.2449	1.1543	0.7251	1.1313	1.3430	1.2860	1.1586	0.3796	1.0199	1.0364	0.3796	1.0680	1.0950	1.0258	0.9315	0.9986
carnitine	Carnitine	0.9606	1.1175	0.7604	0.8173	0.8821	0.9443	0.8360	0.8204	0.7542	0.7330	1.0422	1.0408	0.8368	0.8807	0.9031	0.8853	0.8424	0.9234	1.0308	1.0111	1.1625	1.1965	0.9809	1.0773	1.0451	1.0969	1.1243	0.9881	1.1367	1.0459	1.0931	1.1081	1.1316	0.9889	1.1043	1.1214
carnosine	Carnosine	1.0982	1.1790	1.0358	1.0506	0.9680	1.0998	0.6823	0.9457	0.9996	1.0004	0.9950	1.1266	0.8922	0.9886	0.9454	1.0008	1.0300	0.9543	1.0376	1.0765	0.9370	0.9611	0.9932	1.0068	1.0300	1.0103	1.0115	0.8957	1.0833	1.0542	0.9373	1.0313	0.9748	0.9411	0.9892	0.9720
choline	Choline	0.6587	0.6474	0.9879	1.1474	1.0334	0.8058	0.6711	0.7462	1.0707	0.9282	0.8524	0.7986	1.0125	0.6725	1.1089	0.8626	0.8326	0.7277	1.1697	0.9479	1.0090	0.9565	1.2000	1.1142	1.0148	1.0716	1.0591	0.9739	1.1482	1.0693	1.3428	1.1658	0.9870	0.9910	1.0142	1.0655
choline phosphate	Choline phosphate	0.9118	1.2504	0.9483	0.9821	1.1489	0.7298	1.0603	1.0889	1.1070	0.8002	1.3137	1.2735	1.0865	0.7403	0.8874	1.2186	1.0137	1.0011	0.9287	0.6685	0.8161	1.3123	1.1390	1.2687	0.8803	1.2803	0.7264	0.9989	0.8404	0.7774	0.8005	1.0022	1.1378	0.9487	1.1296	0.9123
citrulline	Citrulline	0.5728	0.6181	0.5217	0.8316	0.9168	0.9212	0.8405	0.9213	0.6061	0.4651	0.6233	0.6985	0.7312	0.3832	1.0676	1.1883	0.9470	0.7881	1.3644	2.3373	2.9262	1.0495	3.2108	2.8906	0.9027	1.2682	2.0033	1.9068	1.9071	2.1055	6.6472	3.6077	1.0885	1.0850	0.9505	2.4823
creatine	Creatine	1.0794	1.0013	1.0585	0.9515	1.0254	0.9842	0.7742	0.9446	1.0573	0.9752	1.0040	0.9989	0.8593	0.9675	1.0765	1.0680	1.0178	0.9420	0.9863	1.0148	0.9824	0.9946	0.9449	1.0146	0.9928	1.0747	1.0111	0.9105	1.1197	1.0884	1.0291	0.9986	0.9768	1.0047	1.0011	0.9735
creatinine	Creatinine	1.0200	1.0487	1.0193	0.9480	1.0554	0.9317	0.6805	0.8941	1.0341	0.9195	1.1403	1.0846	0.7860	0.8929	1.1194	1.0475	0.9145	1.0608	0.8874	1.1472	0.8627	1.0109	0.9170	1.0085	0.9812	1.0781	0.9966	0.8396	0.9747	1.1583	1.0529	1.0291	0.9871	1.0028	0.9972	0.9652
cysteine	Cysteine	0.9148	1.5373	1.0878	0.8197	0.9449	1.3395	0.6724	0.8020	1.1452	0.9188	1.0989	1.3661	1.0802	1.0108	0.9394	1.0584	1.2656	0.9431	0.9149	0.9321	1.2196	0.8829	0.9957	0.9900	1.1421	0.9272	1.0043	0.8782	1.0075	0.8392	1.0689	1.1286	0.7840	1.0147	0.8344	1.1757
cysteine-glutathione disulfide	S-Glutathionyl-cysteine	1.1214	1.4282	0.8363	0.4654	0.8108	0.6674	0.6900	0.5457	1.2516	0.8969	1.5678	1.5855	0.5751	0.6672	0.8041	0.9187	0.9628	0.8442	2.0165	0.9002	1.1794	0.9780	1.1173	0.6081	1.1227	1.3144	1.0528	0.9131	1.0220	2.4953	1.5348	1.5918	1.2715	3.4543	0.8507	1.4453
cysteine sulfinic acid	3-Sulfino-alanine	1.1575	1.5943	1.0120	0.8954	1.0719	1.0763	0.9835	0.9197	1.2134	1.4268	1.7694	0.9979	0.7666	1.2980	0.8697	0.7799	0.8490	1.1169	1.1339	0.5609	1.1438	1.0100	0.8275	0.4527	0.8371	1.0021	0.9621	0.7556	0.8595	0.8134	1.1569	0.9605	1.0307	1.5504	0.7002	1.2437
cysteinylglycine	Cys-Gly	0.6244	1.1507	0.7054	0.6642	0.9508	1.0746	0.5704	0.5632	0.7486	0.6068	0.6449	1.0366	0.7794	0.9419	0.7668	0.6793	1.0767	0.7307	1.1314	0.9813	1.1273	1.0704	1.3605	1.7325	1.3635	1.0813	1.1787	0.9643	1.1014	0.9948	1.1443	1.0898	0.9486	1.0749	1.0052	1.0984
cytidine	Cytidine	0.8270	0.9180	1.1741	1.1451	1.6721	1.4172	1.4383	0.9231	0.8133	1.0034	1.0079	0.9966	1.5035	1.0223	0.8478	1.0782	0.8332	0.8353	1.3700	0.6302	0.8905	0.8471	1.2380	1.0165	0.7966	1.0867	1.0085	0.6812	0.8939	1.0179	0.9473	0.9353	1.2252	1.4284	0.7560	0.9777
cytidine 5^-diphosphocholine	CDP-choline	1.3209	1.3411	1.2813	1.1293	1.0730	1.1056	0.4271	1.2647	1.2798	1.2774	1.1210	1.2726	0.8525	1.1651	1.3323	1.2762	1.4076	1.1281	0.4046	1.2009	0.8225	0.9417	0.2452	0.7505	0.8316	0.8993	0.8704	1.0041	0.9920	0.9030	0.8184	0.8246	0.6819	0.4879	0.9959	0.9335
deoxycarnitine	3-Dehydroxycarnitine	0.8831	0.9437	0.9843	0.7924	1.2422	1.0173	0.8171	0.9759	0.9034	0.9503	0.9524	0.8835	0.7808	1.0012	0.9988	1.0591	0.9428	0.7023	1.1496	1.0608	1.0044	1.3541	1.1866	0.9695	1.1487	1.1457	1.2148	0.8722	1.3674	1.1060	0.9814	1.2162	1.0264	1.0875	0.9790	1.0164
dihydroxyacetone phosphate (DHAP)	Dihydroxyacetone phosphate	1.5830	1.5192	0.9011	0.8534	0.5967	0.2557	0.3537	0.6421	1.1999	0.7703	1.1906	1.0109	0.4998	0.5678	0.8494	0.6810	1.0684	0.9199	0.9891	1.4202	1.1634	1.1761	0.9698	1.1342	0.5815	1.3081	1.3364	1.1111	1.5048	1.0581	0.3321	1.3374	1.0699	0.9393	1.4034	0.8829
dimethylarginine (SDMA + ADMA)	Dimethylarginine	0.6102	1.0892	0.7401	0.8873	0.9868	0.6430	0.6152	0.5606	0.6707	0.7758	0.5345	0.7047	1.0132	0.6226	0.6589	0.5821	0.5951	0.4416	1.3439	0.7322	1.2509	1.3248	1.7142	1.8721	1.1688	1.4587	1.3853	1.0910	1.5818	1.0471	1.2661	1.4610	1.1606	0.9548	1.3832	1.2627
dimethylglycine	Dimethylglycine	0.7496	1.0229	0.8856	0.8023	0.5315	1.0846	2.0001	0.9250	1.0611	1.0291	0.6700	0.9978	1.0022	1.1506	1.7546	1.3552	1.0915	0.9974	0.7327	1.0468	0.6697	1.1318	0.6053	1.0174	0.8546	1.3652	0.3470	1.1605	1.4043	0.8882	0.9255	1.1595	0.8697	3.1891	0.6302	0.8470
dimethyl sulfone	Dimethyl sulfone	0.8301	0.9135	0.7581	0.6012	0.8783	1.0803	0.5597	0.5021	1.2413	0.9419	1.0702	0.2852	0.9756	1.2006	1.0286	0.3556	1.0330	0.8847	0.7960	0.9550	1.1596	0.4353	0.6399	1.0244	1.3404	0.4805	1.4781	1.2521	1.4989	0.9120	1.3654	1.8178	1.5148	1.1163	1.1829	1.5426
ergothioneine	Ergothioneine	0.4077	2.5555	0.4352	0.2873	0.6260	0.7442	0.5208	0.9492	0.4010	0.3667	1.6267	2.2077	0.3381	0.5434	0.9881	1.0422	0.4987	1.0825	2.0708	1.0872	0.2102	0.0560	1.5317	0.9360	3.1829	1.0545	0.7333	1.2020	1.1582	1.2717	1.2080	1.4430	0.5028	2.1612	1.0119	2.6052
formiminoglutamate	Formiminoglutamic acid	1.6042	1.4709	1.4603	0.9396	1.0046	1.1718	0.8116	0.7003	1.6564	1.0054	1.3947	1.1414	0.4337	0.9663	1.1498	1.4639	1.6608	0.9236	1	1.2712	0.8977	0.6567	0.5036	0.4892	0.4337	1.1966	1.0462	0.6400	0.9436	0.7516	0.8532	0.7949	1.6588	0.9096	1.1995	0.6606
fructosyllysine	Fructosyllysine	1.6271	1.1382	1.0471	0.7087	0.7934	0.5054	0.4575	0.5225	0.8802	0.6490	1.9108	0.9239	0.8413	0.6139	1.3918	0.9521	1.2723	0.8580	1.0639	0.8138	1.0775	0.9553	1.0644	1.0835	0.9142	2.6177	1.1029	0.8208	1.0773	0.8313	0.8455	1.2222	1.1450	1.0447	2.7533	2.4381
gamma-glutamyl-alpha-lysine	gamma-Glutamyllysine	0.2958	0.6514	0.5166	0.3402	0.9668	1.1047	0.4963	0.6989	1.0091	0.2958	0.7142	0.8807	0.3948	0.8878	0.7555	0.4829	0.8222	0.3627	1.8842	1.1844	1.5045	1.4024	0.9898	2.0640	1.4715	0.7244	2.0228	1.5909	1.8113	1.3981	1.1757	1.2255	1	1.4489	1.1847	1.4127
gamma-glutamyl-epsilon-lysine	Epsilon-(gamma-Glutamyl)-lysine	0.4496	0.8315	0.6139	0.9838	1	0.7562	0.9199	0.6158	0.4862	0.9103	0.9742	0.6221	1.1705	0.5737	0.9201	0.9027	0.4923	0.7152	1.6260	0.4496	1.4508	1.7562	1.8880	1.0855	1.3408	1.9818	1.8043	0.9422	1.6886	1.1256	2.1949	1.8645	1.8662	1.4362	1.5086	1.8661
gamma-glutamylglutamate	gamma-Glutamylglutamic acid	0.4469	0.2604	0.4232	0.8975	0.5868	0.9944	0.2468	0.5348	0.3724	0.2468	0.3706	0.5376	0.2468	0.5902	0.3935	0.4555	0.5617	0.2468	2.2374	1.1695	2.3178	1.2058	1.7673	1.5485	2.1414	1	2.0923	0.9640	2.2082	1.4060	2.6795	1.8769	1.5129	1.9023	1.4205	1.4705
gamma-glutamylglutamine	gamma-Glutamylglutamine	0.2738	0.4421	0.4856	0.7057	1.1531	1.3454	0.3305	0.4723	0.2932	0.3252	0.3025	0.6099	1.5034	0.8651	0.4482	0.6775	0.5595	0.2838	1.4891	0.6329	1.8219	1.1697	1.2577	1.4693	1.8469	1.0373	1.7482	1.1393	1.4844	1.5115	1.5203	0.9627	1.2309	1.7454	0.8712	1.3801
gamma-glutamylglycine	gamma-Glutamylglycine	0.7755	0.6323	0.6141	0.8359	0.6556	0.8373	0.4225	0.5450	0.5628	0.4530	0.5633	0.6398	0.6554	0.6207	0.7374	0.5796	0.5653	0.3763	1.6530	1.3125	1.8775	1.5557	1.7079	1.4617	1.3885	1.4498	1.6629	1.6575	1.8057	1.9383	2.3963	1.4629	1.2593	1.3312	1.1627	1.5364
gamma-glutamylhistidine	gamma-Glutamylhistidine	0.5506	0.9900	0.5771	1.2511	0.8908	1.0100	0.6343	0.6133	0.4969	0.9382	0.8091	0.6229	0.9477	0.7052	1.0156	0.8081	0.6828	0.7960	2.0001	1.1051	1.0700	2.2416	1.6200	0.9744	1.3647	2.2783	1.6691	0.9640	1.7491	2.2224	2.0327	1.8646	2.4048	0.9624	1.9380	1.9232
gamma-glutamylleucine	gamma-Glutamylleucine	1.1182	1.0509	0.6651	0.5641	0.7215	0.7664	0.5055	0.5037	0.8926	0.5840	0.7684	0.9877	0.5585	0.7896	0.6086	0.7991	0.7647	0.5843	1.2190	0.9465	1.3663	1.0367	1.0319	1.1442	1.0987	1.0651	1.2068	0.8801	1.2625	1.2122	1.2102	1.1336	1.0730	1.3634	1.3733	1.0123
gamma-glutamylmethionine	gamma-Glutamylmethionine	0.3383	0.7300	0.5497	0.6516	0.7139	1.2302	0.2800	0.3299	0.3923	0.3660	0.5867	0.8661	0.8687	0.7889	0.7115	0.8027	0.8408	0.2927	2.3094	0.9259	1.9075	1.5802	1.8310	1.7322	1.7584	1.3160	1.3354	1.0741	1.6900	1.7942	1.6405	1.5173	1.3082	2.1464	1.1804	1.3712
gamma-glutamylthreonine	gamma-Glutamylthreonine	1.1457	0.6459	0.6419	0.7733	1.5435	0.7890	0.6213	0.6728	0.9913	0.5848	0.8826	0.6379	0.7231	1.2978	0.6286	0.9481	0.7910	0.7927	1.2991	1.0087	1.2915	2.1000	0.8198	0.9368	1.2157	1.6829	1.2002	0.6984	1.6267	1.1947	1.1101	1.3031	1.7644	1.4803	2.1148	1.1294
gamma-glutamylvaline	gamma-Glutamylvaline	1.1812	0.2492	0.3958	0.5730	1.0613	0.7125	0.2492	0.5351	0.2492	0.2492	0.7177	0.5435	0.7134	0.7829	0.2589	0.6891	0.6847	0.4877	1.8624	1.1203	1.8364	1.8182	0.8527	0.9688	1.5379	1.0428	1	0.8487	1.7704	2.1281	1.0487	1.1075	1.3421	1.4821	1.6649	1.6035
glutamate	Glutamic acid	0.8650	1.0832	0.8076	0.6388	0.7343	0.7819	0.5509	0.6197	0.9089	0.7316	0.9805	0.9767	0.6331	0.7266	0.8354	0.9056	0.9434	0.7327	1.3072	1.1254	1.3886	1.0195	1.2290	1.2885	1.2274	1.0729	1.4239	0.9796	1.3406	1.2158	1.8425	1.6118	1.1626	1.4562	1.1719	1.2290
glutamate_ gamma-methyl ester	Glutamic acid, gamma-methyl ester	1.3347	0.7729	0.6281	0.9775	0.8551	0.8406	0.5909	0.4991	0.6688	0.8103	0.5033	0.7685	0.5715	1.0456	0.6008	0.5584	0.6632	0.7272	1.4500	1.1552	1.4448	1.9302	1.8832	1.3364	1.4779	2.0469	9.1028	5.3488	1.4092	1.7521	0.7745	1.9501	0.8863	1.9959	2.6432	1.0225
glutamine	Glutamine	0.8310	1.0804	0.8025	0.9447	1.2734	0.8962	0.4232	0.8582	0.6797	0.7293	0.9520	0.9949	1.1384	1.0360	0.8002	0.9278	0.9038	0.8415	1.1207	0.7130	1.1354	1.0051	0.9424	1.0095	1.2343	1.1876	1.3174	0.9464	1.3840	1.0729	0.9422	1.0177	1.1253	1.1884	1.0689	1.1051
glutamine_degradant*		1.2495	0.6763	1.2054	0.6678	1.6128	0.7521	2.9561	0.9046	1.2849	1.1234	0.5426	0.6946	0.8576	0.9914	0.8055	0.9177	0.7935	0.6803	1.0237	0.8995	0.8319	1.2514	0.6980	1.0086	1.0972	1.5956	1.0143	0.7515	1.3168	1.1784	0.8365	1.1468	1.1511	1.3552	1.0775	0.8723
glutarylcarnitine (C5-DC)	CAR DC5:0	0.8712	0.6605	0.6470	1.0016	1.3760	1.1264	0.9920	1.3143	0.7335	0.5032	1.2848	0.8825	0.9801	1.0420	1.0020	1.6099	0.8068	0.9467	0.9398	0.9180	2.1385	1.0513	0.7310	1.0057	0.9435	1.1202	0.9984	0.8284	1.0868	0.7650	0.7881	1.1007	1.2794	1.4556	1.0216	1.0725
glutathione_ oxidized (GSSG)	Oxidized glutathione	0.6338	1.0051	0.7738	0.9404	1.2244	1.3638	0.6221	0.8865	0.8267	0.7466	0.9259	1.0504	0.9823	0.9949	0.7515	1.1441	0.9110	0.7978	0.9851	0.9702	1.1544	0.8325	0.9280	0.9623	1.4437	1.4441	1.1837	1.0749	1.2216	1.1557	1.2491	1.4592	1.0833	1.2238	1.3144	1.4466
glutathione_ reduced (GSH)	Glutathione	0.8759	1.2185	1.0692	1.6620	1.3506	1.8293	0.5443	1.3805	1.0138	0.9868	0.7984	1.3742	2.1871	1.4215	1.2916	1.0514	1.4840	1.5724	0.3154	1.0247	0.7538	0.6580	0.6757	0.9609	0.8708	0.7022	0.7507	1.0805	0.7092	0.3139	0.5822	0.9005	0.4387	0.3248	1.0921	1.0132
glycerophosphoethanolamine	sn-Glycero-3-phosphoethanolamine	1.0107	0.7524	0.7877	0.8466	1.1154	0.7414	0.6168	0.7098	0.7939	0.7780	1.0588	0.7594	0.7210	0.7781	0.9226	0.8574	0.6974	0.6485	1.3429	1.3940	1.5095	1.2002	1.0954	1.1573	1.1024	1.3063	1.1513	0.9893	1.1213	0.9579	1.4413	1.2641	1.3111	1.2743	0.9841	1.4175
glycerophosphoglycerol	sn-Glycero-3-phosphoglycerol	0.9985	0.7916	0.6951	0.9582	1.2308	1.0942	1.0289	1.0188	0.6919	0.6690	0.9281	0.8250	1.0085	0.9499	0.9002	1.2219	0.6151	0.8917	1.0268	1.0186	1.2062	1.1151	1.0493	1.0015	1.0838	1.2628	0.8993	0.7021	0.9346	0.8441	1.3351	1.0242	1.2657	1.2368	0.8160	0.9557
glycerophosphoinositol*	sn-Glycero-3-phosphoinositol	0.7635	0.8638	0.8054	0.8489	1.1610	1.3271	0.7896	0.9199	0.7598	0.7760	0.8711	0.8726	1.0557	1.0468	0.8646	1.2414	0.8049	0.8209	1.1037	0.8039	1.4081	1.1403	0.9288	0.9673	1.2299	1.1141	1.1422	0.9206	1.1101	1.0327	2.2077	1.0822	1.0741	1.4107	0.9628	1.2669
glycerophosphorylcholine (GPC)	sn-Glycero-3-phosphocholine	1.1624	0.8284	0.9837	0.9443	1.1014	0.8629	0.6263	0.7651	1.0406	0.9511	0.9576	0.7886	0.7351	0.9810	1.0328	0.8638	0.7860	0.9012	1.2000	1.2959	1.2236	1.1221	1.0053	0.9947	1.1611	1.2135	1.0477	0.9700	1.0368	0.9401	1.1962	1.1518	1.2031	1.3349	0.9134	1.1125
glycerophosphoserine*	sn-Glycero-3-phosphoserine	1.0206	0.7885	0.7541	0.7544	1.3168	0.9777	0.7719	0.8861	0.7221	0.7778	1.1678	0.6950	0.8926	1.0477	0.9316	1.1081	0.7058	0.7469	1.1100	1.2725	1.5048	1.0434	0.8142	0.9588	1.0906	1.0155	1.1977	0.7687	1.2114	0.9845	1.9499	1.1158	1.1363	1.1951	0.7935	1.2277
glycine	Glycine	0.9640	1.1433	0.8815	0.8487	0.7367	0.8773	0.5636	0.7336	0.9606	0.7540	1.0080	1.0791	0.8143	0.8499	0.9502	0.9017	0.8919	0.6962	0.9937	0.9546	1.2619	1.0714	1.1709	1.1284	1.0044	1.1479	1.2654	1.1067	1.2330	1.2807	1.3938	1.2537	1.0405	1.0885	0.9956	1.1294
glycylisoleucine	Gly-Ile	0.9182	1.6326	1.2872	1.4009	1.0950	1.1543	0.7516	1.0665	1.4477	1.2002	1.0931	1.2777	0.7315	1.1299	1.7943	1.2969	1.1672	0.9430	0.8025	0.8394	1.2953	0.9716	0.8498	0.7681	0.6885	1.0051	0.6814	0.6088	1.0913	0.9565	1.0271	0.9949	0.8225	0.9726	0.8751	0.9248
glycylleucine	Gly-Leu	1.4828	1.7406	1.1966	0.6510	0.5909	0.8310	0.5233	0.6848	1.2825	0.8908	1.4221	1.5660	0.4873	0.8597	1.0957	1.2187	1.3341	0.8129	0.8594	1.0692	0.9894	1.2311	0.8715	1.0514	0.8840	0.9994	0.8932	0.7282	1.0330	1.0006	0.9362	1.1482	1.0352	1.2832	1.1673	0.9496
glycylvaline	Gly-Val	1.4380	2.0494	1.3867	1.1193	1.0016	1.1770	0.6237	1.0732	1.5025	1.1335	1.5544	1.7144	0.8150	1.2798	1.3120	1.5018	1.5538	1.1019	0.7299	0.9697	0.8622	1.0398	0.7142	0.7981	0.7393	0.9984	0.8114	0.6549	0.9296	0.8645	0.8467	0.9833	0.9125	0.9511	1.0380	0.8273
guanidinoacetate	Guanidoacetic acid	0.6584	0.8620	0.5501	0.5673	0.4825	0.6480	0.5917	0.5809	0.5111	0.5217	0.8088	0.9475	0.6000	0.5369	0.5038	0.8221	0.4972	0.5434	1.0639	1.2712	1.2303	1.8551	1.2884	1.0551	1.1478	1.5609	1.1314	1.0686	1.0525	1.1011	1.4312	1.1918	1.2815	1.1746	1.2100	1.2162
guanine	Guanine	1.5112	1.2084	1.2376	1.2739	1.0024	0.4340	0.2115	1.1803	2.6044	3.0681	0.2746	1.0745	0.7303	1.2529	1.4580	0.5438	0.4144	2.1877	0.6201	2.3145	0.1946	0.4118	0.2020	0.7897	0.7011	0.9665	1.1239	2.4269	0.8662	1.1051	0.6965	1.2808	0.3904	0.9976	1.1590	0.7428
hexanoylcarnitine (C6)	CAR 6:0	1.2167	0.5980	1.0472	0.9261	1.7529	1.5456	0.8731	1.4697	0.9614	0.9041	2.0347	0.9371	1.1591	1.7056	1.6838	1.8009	1.1555	0.9814	0.8029	1.2232	1.0444	0.7658	0.5563	0.4257	0.9414	0.7780	1.0818	0.5626	0.9274	1.1888	1.4714	0.8669	1.0186	1.4507	0.6031	0.9729
histamine	Histamine	1.5123	0.8270	1.0700	0.7107	0.6316	0.9686	0.8100	0.4864	1.2093	0.7892	1.5425	0.8927	0.6296	0.7197	0.9286	0.7258	1.0314	0.6094	1.1351	0.9663	1.2871	1.1961	2.0165	1.2314	1.0914	1.4545	0.8586	0.8629	1.2944	0.9031	0.8950	1.0946	1.1297	1.2242	1.1314	1.4081
histidine betaine (hercynine)*	Hercynine	0.0790	2.2125	0.1764	0.0790	0.6076	0.5375	0.3823	0.7324	0.0790	0.0790	1.6516	1.5939	0.0790	0.3474	0.8282	0.7824	0.3614	1.1504	2.2022	0.8855	0.0790	0.0790	1.3203	0.6733	2.4544	1.0156	0.7308	0.9844	1.1442	1.2868	1.1585	1.5638	0.6061	3.3457	1.2041	2.8955
homoarginine	Homoarginine	0.3752	0.6290	0.6696	0.8913	0.6742	0.5882	0.5051	0.9168	0.4997	0.7238	0.5270	0.4897	1.3406	0.7147	0.5798	0.9000	0.5868	0.5349	2.0420	0.8434	2.4048	1.4825	2.5625	1.8073	1.1819	2.4224	2.0527	1.1257	2.5813	2.0268	1.5912	1.7891	1.0832	1.1315	1.7137	1.8880
homocitrulline	Homocitrulline	0.7664	1.7831	0.9939	1.0179	1.8892	0.4966	0.9764	0.7751	0.4248	1.4961	0.9894	1.4764	1.4658	0.6933	0.7612	0.4418	0.5413	1.0166	1.3284	0.5210	0.5074	1.1969	1.1637	0.8276	0.8059	1.1769	0.9095	1.1251	1.2219	1.5136	0.9396	1.5883	1.0061	0.7763	1.3527	1.0762
homocysteine	Homocysteine	1.0378	1.1301	1.2903	1.2732	1.4210	1.7743	0.3202	1.3695	1.5239	1.1942	1.1401	1.2328	1.4951	1.5973	1.5186	1.4917	1.5768	0.8511	0.4925	0.9381	0.7811	0.6890	0.6205	0.5704	0.8207	0.8238	0.7851	0.7975	0.8201	0.5137	0.6003	1.0205	0.6102	0.6336	0.9795	1.0210
homostachydrine*	(S)-Homostachydrine	0.7539	0.1161	0.1066	0.1722	2.0653	0.1476	2.1863	0.7701	0.1772	0.0652	0.5005	0.1384	0.1533	0.5295	0.5778	1.0627	0.3009	0.2284	3.6337	1.6379	3.1417	1.0811	2.5991	3.3926	2.8417	0.9373	1.5138	1.9727	3.3740	2.4652	2.9246	2.5984	0.9322	4.5827	0.8169	2.8043
hydroxyasparagine**	Hydroxyasparagine	1.3145	1.3347	1.2808	1.3068	1.1851	1.4276	0.8611	1.0190	1.5105	0.7630	1.1216	1.3319	1.3361	0.8156	0.6790	1.2990	1.2914	0.9820	0.8858	0.6493	1.0632	0.6977	0.7058	1.1802	0.8931	0.8905	0.9382	0.7396	1.3913	1.1628	0.9623	0.9899	0.7333	0.7551	0.8582	1.0101
hydroxy-N6_N6_N6-trimethyllysine*		0.1940	0.5862	0.5373	1.0245	1.6249	0.7353	0.4330	1.1507	0.3147	0.8931	0.5735	0.3372	1.3259	1.2595	0.6076	0.8270	0.4511	0.9158	1.8204	0.6408	1.5595	1.6900	0.9092	0.3743	2.1464	2.1245	2.6309	0.6417	1.9051	1.2530	1.2575	1.7462	1.3672	1.3218	0.9755	1.5671
hypotaurine	Hypotaurine	1.1786	0.7448	1.5704	0.8681	0.9019	0.9863	0.7330	0.6659	1.5418	1.2235	1.2380	0.6128	0.9258	1.1630	0.9704	0.7980	1.1731	0.8592	1.6600	0.4968	0.9787	0.5430	1.1508	1.6598	1.1797	1.0137	1.0875	1.2602	1.3620	0.9721	0.9640	1.2275	0.8995	0.8839	1.0805	1.0466
imidazole lactate	Imidazolelactic acid	0.9187	0.8444	0.9907	3.5067	1.3003	1.4074	0.5958	1.0548	1.3200	0.9641	1.0867	1.0093	3.4994	2.1998	1.3638	1.0830	0.6232	0.6214	0.9417	4.8516	3.0671	0.7349	0.4997	0.4393	3.6978	0.6066	0.3677	1.0556	0.4457	0.5318	3.3596	3.8184	0.4716	0.9110	0.3749	1.5757
imidazole propionate	Imidazole propanoate	4.6484	2.4537	1.7063	1.3704	1.4347	1.7161	1.3315	2.0743	3.4698	1	1.6725	2.1929	1.1960	1.0529	1.6998	2.4189	0.9944	0.5533	1.0989	0.8273	0.6816	0.2486	0.6120	0.9305	0.4399	0.3943	0.7323	0.5075	0.6503	0.6995	0.8187	0.4184	0.2486	1.3477	0.4008	0.9031
isobutyrylcarnitine (C4)	CAR 3:0;2Me	0.7186	0.8691	0.7195	0.6361	2.0934	1.0507	0.6696	0.9489	0.6628	0.2081	0.7671	0.9058	0.6251	0.4005	1.5171	1.1160	1.6286	0.9961	0.9804	0.7769	1.4669	1.3087	1.1530	1.1789	1.2987	1.6414	1.0116	0.7681	0.9598	1.0205	1.4465	0.6363	1.2749	1.5587	1.3485	1.0039
isocaproylcarnitine	Isocaproylcarnitine	0.6126	0.4255	0.8105	0.5052	3.0323	1.3975	0.5922	1.1647	0.9109	0.4503	0.4255	0.5492	0.9490	0.6963	1.9170	1.4104	1.3013	0.6996	0.9767	0.8858	1.6166	1.0158	0.8801	0.6459	1.4562	1.6545	1.1480	0.6989	1.0446	1.3293	2.2099	0.6935	1.2791	2.2167	1	1.1854
isoleucine	Isoleucine	1.1100	1.3283	1.0549	0.8397	0.8038	0.8684	0.6487	0.7998	1.1764	1.0115	1.1959	1.1094	0.7518	0.8933	0.9832	0.9974	1.1353	0.9029	1.0266	0.9499	0.9968	1.0026	1.0180	0.9681	0.9638	0.9726	1.0210	0.8282	1.0265	0.9636	1.0456	1.1537	1.0338	1.0718	1.0587	0.9860
isoleucylhydroxyproline*	Isoleucylhydroxyproline	0.9093	0.9928	0.9895	1.1843	0.7002	1.3085	0.4833	0.5246	1.3794	0.7649	0.6597	1.3992	0.9846	0.8953	0.8086	1.0243	1.6168	0.5681	1.2367	0.9022	1.1224	0.9560	1.1647	1.6962	1.1928	1.0072	1.2213	1.1754	1.4250	1.6128	1.2459	1.2890	0.5750	0.8197	0.8652	0.9901
kynurenine	Kynurenine	0.9158	0.9083	0.6596	0.6264	0.9612	0.6385	1.0458	0.6208	0.6738	0.5665	0.8234	0.8003	0.5365	0.5903	0.7789	0.8220	1.1496	0.4575	1.9045	1.1576	1.1843	1.6612	1.8817	1.4651	1.2722	1.0681	1.0667	0.9796	1.3588	1.4953	1.2354	0.9772	1.3901	1.2059	1.0204	1.1797
leucine	Leucine	1.1108	1.4103	1.0736	0.7841	0.8187	0.8371	0.6432	0.7880	1.1469	0.9686	1.1622	1.1703	0.7230	0.8602	0.9991	0.9426	1.1285	0.9268	1.0351	0.8972	1.0198	1.0001	1.0076	1.0234	0.9594	0.9853	1.0228	0.8305	1.0791	0.9636	1.0593	1.1017	0.9999	1.0744	1.0952	0.9515
leucylglutamine*	Leu-Gln	3.0544	3.0571	1.2174	0.8907	0.6716	0.4268	0.6084	1.0929	2.7871	1.4400	1.1442	2.0175	0.4071	1.1194	1.2020	0.7344	1.0357	1.4559	0.8744	1.3702	0.9780	0.6032	0.5027	0.6122	0.6601	1.0220	1.4162	0.8076	1.0940	0.9524	0.7415	1.2569	0.5546	0.9537	1.4455	0.8659
leucylglycine	Leu-Gly	5.1661	5.5283	2.0835	1.0634	0.5807	0.7201	1.0217	1.5631	4.5352	2.4072	2.1213	3.4105	0.4750	1.2766	1.3122	1.0402	1.7240	1.7445	0.6846	1.0696	0.8101	0.4393	0.4483	0.5871	0.5182	0.7376	1.5467	0.7174	0.9783	0.9712	0.6380	0.9425	0.3619	0.6766	1.4532	0.6982
leucylhydroxyproline*		0.6252	0.7776	0.7897	0.8095	0.5944	0.7815	0.3298	0.3731	0.8673	0.6130	0.3298	0.7727	0.5167	0.6154	0.8227	0.8587	1.4890	0.4376	1.4574	1.0491	1.3890	1.2765	1.6571	2.2897	1.2882	1.2307	1.4369	1.0952	2.0421	1.5672	1.5399	1.2163	0.7927	1.1381	1.1502	1
lysine	Lysine	0.9714	1.1277	0.9873	0.8556	0.7943	0.8925	0.7382	0.7879	1.0217	0.8919	1.0843	1.0127	0.8396	0.9235	0.8316	0.9711	1.0192	0.7358	1.0977	0.8406	1.1972	1.0155	0.6756	1.0416	1.0219	1.0343	1.0771	0.8795	1.0924	0.9825	1.2440	1.0960	0.9607	1.1155	1.0838	1.0800
malonylcarnitine	CAR DC3:0	1.0519	1.6257	0.6969	1.3717	1.0407	1.3495	0.7918	1.2224	0.9184	0.7049	1.4312	1.3438	1.4889	1.2205	1.0319	1.1919	0.9576	1.1204	0.8330	0.8959	1.1967	0.9187	0.7093	0.7079	0.9448	0.9837	0.7339	0.8172	0.9731	0.8322	1.1530	0.8621	1.0619	0.9744	1.0163	1.2232
methionine	Methionine	1.2777	1.7188	1.2006	0.8206	0.7559	0.8264	0.5270	0.7476	1.2558	1.1088	1.3833	1.2447	0.6654	0.8156	1.0795	0.9203	1.2820	0.8862	1.0445	0.8097	0.9952	0.8990	1.0121	0.9171	0.8831	0.9866	1.0334	0.7741	1.1099	0.9100	1.0525	1.1343	0.9650	1.0048	1.0910	1.0055
methionine sulfone	Methionine sulfone	0.7318	0.3612	0.3708	0.3482	0.8377	0.4997	0.5906	0.3159	0.4149	0.3124	0.5353	0.3983	0.4324	0.3689	0.3737	0.6220	0.5807	0.4189	1.2729	1.8134	1.4931	1.8500	1.8258	1.6525	1.6964	3.3411	2.4174	1.1623	1.8235	1.6073	1.6461	2.2321	3.7951	3.2922	3.0783	1.5942
methionine sulfoxide	Methionine sulfoxide	0.9701	1.1803	0.7809	0.5815	0.7025	0.5136	0.5007	0.5603	1.1994	0.8245	1.1896	1.0259	0.4081	0.5816	0.8403	0.7884	1.0153	0.8073	1.3993	1.1335	1.1586	1.2555	0.9430	0.9107	0.9374	0.9867	1.2635	0.7545	1.0140	1.0133	1.7220	1.5190	1.4781	1.6056	1.2089	1.0410
methyl glucopyranoside (alpha + beta)	Methyl glucose	2.9509	1.4863	0.5809	0.6420	0.3691	0.3997	0.3771	0.7416	1.8732	1.1021	2.3867	1.2409	0.4249	0.3010	1.0912	0.5226	1.0021	0.7147	0.9754	1.9261	1.1852	0.6962	0.9979	1.0562	1.1843	0.8288	1.6369	0.4422	1.2426	1.1759	0.3813	1.2779	1.5116	0.8042	1.1910	0.5737
methylphosphate	Methanolphosphate	1.8655	1.2877	1.2401	1.0556	1.2635	0.9458	0.6208	1.2448	1.5012	1.4345	0.9784	0.7490	0.6389	1.2819	0.5647	0.8331	0.6261	0.8549	1.3819	0.8931	1.1811	0.9307	0.8566	0.9959	0.9307	1.2824	1.6570	0.9979	1.2910	0.9396	0.9000	1.4496	0.7707	1.1731	1.2712	1.0021
methylsuccinoylcarnitine		1.1860	1.2488	0.7685	1.0046	1.1624	1.0045	1.5623	1.0843	0.8701	0.7834	1.5961	1.1648	1.3386	1.0334	1.3944	1.3448	1.0332	0.8799	0.9824	0.8412	0.9955	1.5896	0.3965	0.6065	0.6681	0.9066	0.6714	0.7727	1.0487	0.6713	0.8394	0.8581	1.8311	0.7225	0.5069	1.4494
methylurea	N-Methylurea	0.5912	1.4106	0.5912	1.0418	1.6302	1.3963	1.2565	0.5912	0.5912	0.5912	0.6705	1.1639	0.7576	0.7046	0.5912	0.6331	1.2328	0.8329	1.1921	0.6799	0.8779	1.6750	0.5912	0.5912	0.5912	0.8667	0.5912	0.5912	1.4581	0.5912	1.0535	1.0574	0.5912	0.9582	0.5928	0.8781
N1-methyladenosine	1-Methyladenosine	1.0971	0.7904	1.1542	0.9253	0.8996	1.0178	0.7847	0.7433	0.9187	0.7895	1.0676	0.8772	0.8870	0.5333	0.9997	1.0469	0.8418	0.6426	0.9856	1.0003	1.1383	0.8028	1.0954	1.2597	0.9411	1.0718	1.1307	0.8420	1.1112	1.2292	1.0677	1.0152	1.0489	1.0220	0.8092	1.1045
N1-methylinosine	1-Methylinosine	1.0049	0.8071	1.0412	1.2898	0.9343	1.0857	0.7644	0.8196	1.0379	0.8868	0.8875	0.7972	1.1051	0.8253	1.1305	1.0983	0.9247	0.9727	1.1512	1.1452	0.8783	1.4001	0.7725	0.9718	0.9304	1.1455	1.3715	0.8026	1.2276	0.9951	1.0700	0.5100	1.2361	0.9083	1.0182	1.0672
(N(1) + N(8))-acetylspermidine	Asparagine	0.9938	0.8813	0.8257	0.6229	0.3793	0.5459	0.6089	0.3681	0.8087	0.6672	1.1658	0.8949	0.4974	0.5163	0.8995	0.5923	0.6547	0.5072	0.9195	1.0352	1.4433	1.6434	1.4451	1.6832	1.2607	1.9289	1.1919	1.0062	1.8797	1.1403	1.4277	1.3745	1.3469	1.3202	1.3398	1.4891
N2_N2-dimethylguanosine	N2,N2-Dimethylguanosine	0.4203	0.3967	0.8704	1.1194	0.3967	0.8805	1.3603	0.3967	0.7518	0.3967	0.7219	0.4866	0.9191	0.3967	0.3967	0.6332	0.3967	0.3967	2.1668	1.0402	1.4709	0.7176	0.3967	0.7526	0.9785	1	1.3775	0.8812	1.2873	1.1059	1.5707	0.3967	1.1676	1.4392	1.0798	1.1123
N4-acetylcytidine	N4-Acetylcytidine	1.0056	1.3609	1.7360	0.9348	0.4116	1.5795	1.5472	0.6971	1.1297	1.2505	0.4116	2.0205	0.4116	0.4116	0.4116	1.1832	0.4116	0.6321	0.4116	0.4116	1	0.9071	0.6549	1.4971	0.7165	0.5539	0.4116	0.9190	0.7114	0.5520	1.0732	0.4116	1.0175	0.9416	0.4116	0.4116
N6-carboxymethyllysine	N(6)-Carboxymethyl-lysine	1.0883	0.9151	0.6567	0.6852	1.1515	0.7879	0.4935	0.6980	0.7851	0.5093	0.9991	0.8914	0.6789	0.6520	0.8145	0.8929	0.8176	0.7714	1.0909	1.0009	1.1247	1.2399	0.9745	1.0400	1.2393	1.3052	1.2860	0.7276	1.3494	1.1223	1.0698	1.3083	1.3314	1.3071	1.0747	1.2187
N6-methyllysine	N(6)-Methyllysine	0.9971	0.7092	1.0350	0.9497	1.2603	0.8394	0.4115	0.4977	0.8138	0.8470	0.8134	0.7656	1.2303	1.9505	0.9221	0.6089	0.4717	1.0325	1.0345	1.1130	1.7359	1.2941	0.6470	1.8450	1.6441	1.1454	0.6458	1.3289	1.2198	0.9775	1.2751	2.4815	0.8177	0.8974	1.2442	1.0029
N6_N6_N6-trimethyllysine	N-6-Trimethyllysine	0.7574	1.0167	0.7959	0.8244	0.9947	0.7882	0.5579	0.7468	0.8101	0.6866	0.7383	0.9456	1.0053	0.9812	0.7070	0.9095	0.7538	0.5245	1.2069	0.8638	1.3279	1.2307	1.0152	1.2278	1.2526	1.3352	1.2418	0.9141	1.5478	1.0981	1.0803	1.3257	1.0344	1.2231	1.1005	1.3722
N-acetylarginine	N-Acetylarginine	0.7169	0.8111	0.7384	0.7037	0.8984	0.7603	0.5284	0.7782	0.7772	0.6543	0.7198	0.7527	0.7344	0.9002	0.7946	0.9235	0.9069	0.8687	1.2871	1.3356	1.1786	1.0765	1.1241	1.1465	1.4213	1.2605	1.3202	1.1240	1.6352	1.4202	1.1899	1.3174	1.1918	1.0816	1.1061	1.3523
N-acetylasparagine	N-Acetylasparagine	0.6438	0.8905	0.5822	0.9712	1.1961	0.7407	0.5539	0.7916	0.3756	0.4720	0.6951	1.0715	0.9198	0.6470	0.4196	1.2513	0.6254	0.7418	1.2099	0.8369	1.3744	1.4214	1.2459	1.1329	1.3413	1.9532	1.2550	0.9467	1.2218	1.1949	1.0288	0.9513	1.7099	1.4325	1.0933	1.2184
N-acetyl-aspartyl-glutamate (NAAG)	N-Acetyl-Asp-Glu	0.8125	0.4683	0.4216	1.3432	1.3967	1.7518	1.1138	1.0464	1.0863	0.4205	0.4414	0.5192	0.8840	1.1536	0.8724	1.2010	1.0208	0.9569	0.8085	0.8570	0.9792	1.1619	0.5492	0.7232	1.0439	0.9116	1.1837	0.8418	1.6065	0.8656	1.3859	1.3330	1.1292	0.7252	1.4758	1.1373
N-acetylcarnosine	N-Acetylcarnosine	1.4907	1.0069	0.8233	0.8813	0.9115	1.2401	0.4274	0.7461	1.1090	0.8409	1.1250	1.1230	0.7657	0.9541	0.9659	1.1383	0.8789	0.8022	1.2310	0.9962	0.8489	0.9425	1.0038	1.1916	1.0385	1.0075	1.0049	0.6592	1.2223	1.0586	1.1530	1.1194	1.1502	0.8968	0.8224	0.9689
N-acetylglucosaminylasparagine	Aspartylglycosamine	0.8842	0.8226	1.0832	1.3879	0.9971	1.1769	0.9707	1.1415	1.4065	1.0372	1.1773	1.0949	0.9722	1.2050	0.5544	1.0029	1.5869	0.5544	0.5544	1.0605	0.8296	0.6999	0.6381	0.7390	0.6166	0.5544	0.9755	0.5544	1.0409	0.5544	0.8340	0.9376	0.5544	1.0590	1.0218	0.7259
N-acetylglutamate	N-Acetylglutamic acid	0.7805	1.3221	0.6937	0.6635	0.7203	1.2512	0.9933	0.8181	0.9704	0.7889	1.2318	0.7380	0.7241	0.9577	1.0664	1.0067	0.7487	0.6572	2.5003	1.1048	1.8336	0.8822	1.3890	0.7707	1.5409	1.0910	1.6670	0.7105	1.2046	1.2382	2.2880	1.3169	0.9771	1.8343	0.8175	1.4601
N-acetylglutamine	N-Acetylglutamine	0.4761	0.6038	0.6386	0.6060	1.2138	1.0137	0.5741	0.7262	0.3705	0.5149	0.8270	0.6619	1.1210	0.8386	0.5398	0.8638	0.5736	0.4587	1.3350	0.7507	1.6551	1.0888	1.1175	1.1481	1.3550	1.3485	1.5898	1.0598	1.1972	1.2814	1.9866	0.9863	1.3831	1.6716	0.9312	1.2745
N-acetylglycine	N-Acetylglycine	0.6228	0.9228	0.9460	0.8081	0.9484	0.7081	1.4494	0.7465	2.2825	0.8842	0.5411	0.9682	0.7034	1.0318	1.5804	1.0979	0.6127	0.8779	0.6392	1.5354	1.7222	1.5957	1.4811	1.1775	0.6409	1.7997	0.8647	1.8756	2.9213	2.2096	2.9650	2.2466	1.0424	0.3777	0.5363	1.3047
N-acetylmethionine sulfoxide	N-Acetylmethionine sulfoxide	0.7693	0.7731	0.6974	0.7518	0.7194	0.6163	0.5411	0.7493	0.9452	0.7119	1.0493	1.0053	0.4257	0.6538	0.9558	0.9947	0.8441	0.6920	1.1672	1.5321	1.2391	1.3309	0.8219	0.9301	1.0367	1.2618	1.0941	1.0315	1.1507	1.3702	1.3962	1.3489	1.4990	1.6802	1.1115	1.1603
N-acetylneuraminate	N-Acetylneuraminic acid	0.7289	0.9267	0.7782	0.9147	0.8697	1.0959	0.5631	1.0362	0.9738	0.7712	0.8474	0.9339	0.6757	0.8238	0.9385	1.3005	1.1517	0.7308	0.8546	1.3796	1.3439	0.9123	1.3420	1.0586	1.2441	0.8329	1.0893	0.9469	1.4257	1.1101	1.0746	1.2358	1.0805	1.1058	1.0262	1.2543
N-acetylputrescine	N-Acetylputrescine	0.6171	0.7477	0.6953	0.6511	0.8859	0.8197	0.6133	0.8116	0.7344	0.6135	0.7413	0.7516	0.7278	0.8589	1.1923	1.0237	0.8011	0.6133	2.4171	1.1504	1.5176	0.9462	1.3708	1.8592	1.0738	1.1674	1.1326	1.0828	1.5153	1.4778	1.3461	1.2593	1	0.6896	1.1554	1.5607
N-(ADP-ribosyl)-arginine (1)*		1.2169	0.6496	0.6680	1.5690	0.8217	1.1839	0.6496	1.0639	1.8879	0.6496	2.1765	0.9061	0.7077	1.0451	1.9299	0.9869	1.1204	0.6496	0.6496	1.4016	1	0.7810	0.6496	0.6767	0.6496	0.7777	0.6496	2.0847	1.4953	0.7258	0.6496	0.7842	0.6496	0.7157	1.3548	0.9029
N-glycolylneuraminate		0.8844	0.9243	0.9853	0.4926	0.7053	0.7131	0.8822	0.7424	0.8937	0.9849	0.8767	1.0205	0.4695	0.6657	1.2320	0.9295	0.8666	0.6079	1.4587	1.2539	1.3008	1.2282	1.2085	0.9228	1.2477	1.2977	1.0147	1.0459	1.3658	1.0739	1.5688	1.3886	1.6299	1.9126	0.6835	1.4203
nicotinamide	Niacinamide	1.3256	1.5864	1.1834	1.3883	1.0362	1.1555	0.9759	1.1284	1.4995	1.3981	1.4857	1.4581	1.1746	0.9237	1.4061	1.1548	1.5010	1.3992	0.9465	0.8433	0.6051	0.8736	0.7365	0.7741	0.6607	1.0353	0.7622	0.8167	0.7951	0.9379	0.7319	0.8771	0.7956	0.6522	1.0241	0.8014
nicotinamide adenine dinucleotide (NAD+)		1.9696	0.2842	0.5345	1.2788	1.6568	4.5339	0.7224	1.7613	0.8330	0.5807	1.1041	0.4443	3.4529	1.3384	2.6481	2.9922	0.7329	0.2850	0.8888	1.2676	0.9193	0.4185	0.2979	0.3849	1.7460	0.9589	0.9289	1.8299	1.9481	0.9127	2.1350	1.5510	0.3360	0.8698	1.0411	1.0448
nicotinamide N-oxide	Nicotinamide N-oxide	1.3334	1.3601	1.3110	1.5254	0.6513	0.9212	0.5482	1.1088	1.4959	1.0909	1.2390	1.4946	0.9209	0.4086	1.0982	1.0114	1.0766	0.6703	1.0747	0.7122	0.6509	1.1238	0.3571	0.9886	0.6773	1.1839	0.7852	0.7262	1.1966	0.8665	0.8704	0.5826	1.0166	0.7903	1.3891	0.8057
nicotinamide ribonucleotide (NMN)	Nicotinamide ribotide	1.4390	0.9699	0.8829	1.3869	0.9916	1.3683	1.0138	1.1000	1.2973	0.7543	1.0023	0.7442	1.2169	1.1438	1.4604	1.5856	1.0790	0.8328	0.8878	0.9422	1.1751	0.9226	0.8023	0.7659	0.9977	0.8964	0.9669	0.7564	1.1354	1.0749	1.1591	0.8987	0.9412	1.2300	0.6470	1.0098
nicotinamide riboside	Nicotinamide riboside	2.7213	0.8123	1.2442	3.2225	1.2980	2.2373	2.1832	2.6637	2.0243	0.4420	1.4002	1.1934	2.4603	1.8943	1.2061	2.5729	1.0254	1.0534	0.7143	0.8703	1.1298	0.2484	0.8325	0.5446	0.7562	0.6239	0.3928	0.7034	0.9016	0.9591	0.9746	0.4905	0.5255	1.4518	0.4400	0.6885
nicotinate	Nicotinic acid	0.5907	0.8595	0.2664	0.5136	0.2040	0.4261	0.4088	0.3156	0.5251	0.2668	0.5022	0.4645	0.2027	0.1518	0.5095	0.4572	0.3759	0.4469	2.3395	1.8865	3.1482	1.2543	23.5332	5.1403	1.8358	1.7270	1.8165	1.8981	2.2348	2.1138	6.1553	4.9288	3.5672	1.4505	1.1405	4.3207
N-methylalanine	N-Methylalanine	1.7909	2.2336	1.2205	0.8714	0.8729	1.2179	0.3505	0.7815	0.8315	0.9346	1.0178	1.8381	0.7370	0.7241	1.8902	0.9303	1.0927	1.0688	0.8821	0.9868	0.9487	0.7162	0.8285	1.1766	0.7272	0.8683	1.2556	1.0132	1.1083	1.5195	1.1632	1.0957	0.5846	1.0511	0.6533	1.3680
N-methyl-GABA	4-(Methylamino)butyric acid	1.8790	0.9688	1.1656	0.4884	1.1258	1.3160	0.5940	1.6601	0.8262	0.2275	1.0762	0.3161	0.5051	1.4749	0.9097	1.1399	0.9739	0.2192	1.1710	0.4565	1.4181	0.5732	1.4852	2.6648	1.0261	0.2009	0.9419	0.8159	2.4019	1.5863	2.7763	0.5092	0.6621	0.4460	1.6118	2.3132
N-methylpipecolate	N-methyl pipecolic acid	1.1323	0.5560	0.6139	0.5173	0.9991	0.3466	0.5925	0.5689	0.4098	0.5555	0.3604	0.3466	0.4368	0.4105	0.6827	0.4397	0.3466	0.7888	6.2200	0.3476	1.5326	1.0009	3.1613	2.3294	8.0538	1.6582	1.1006	3.3079	1.5431	4.8421	2.4456	2.4987	0.5805	4.3909	1.2639	3.3602
N_N-dimethylalanine	N,N-Dimethylalanine	3.5728	1.4602	0.9333	1.0689	1.6908	1.0074	2.0187	0.7657	0.8069	0.6800	1.4049	0.8891	0.2315	0.7596	1.1703	1.5422	0.9982	0.4582	1.9868	0.2315	0.8400	0.3309	1.5060	1.4167	0.8944	1.2065	0.8659	0.6805	1.4603	1.2699	0.8636	1.6790	0.6685	0.7545	0.2315	1.0018
N_N-dimethyl-pro-pro		0.4465	0.5656	0.7615	0.4305	1.2287	0.4968	0.4769	0.3756	0.7609	0.6493	0.6170	0.4400	0.7030	0.4760	0.6316	0.4383	0.7340	0.4650	1.1973	0.9955	1.4427	2.0608	1.5308	1.1512	1.6917	1.8848	1.5350	1.0045	1.5909	1.3148	1.3157	1.6856	1.3569	1.4922	1.7457	1.7347
N_N_N-trimethyl-5-aminovalerate	N,N,N-trimethyl-5-aminovalerate	1.2798	1.5840	1.4462	1.3462	1.5867	1.2186	1.0977	1.3933	1.4926	1.4235	1.3696	1.5178	1.2738	1.4731	1.5150	1.4555	1.2229	0.8262	0.6564	0.5642	0.5851	0.6956	0.7204	0.9688	0.5379	0.8830	0.8233	0.5478	0.8425	0.6205	1.0312	0.6491	0.6496	0.6020	0.7223	0.6459
N_N_N-trimethyl-alanylproline betaine (TMAP)	N,N,N-Trimethyl-alanylproline betaine	1.0682	1.0776	1.4072	0.8244	1.0916	0.7962	0.9108	0.7362	1.6241	1.1848	1.1726	0.9742	0.6249	0.8339	1.1093	0.9000	1.6904	0.9511	0.8350	1.3982	0.8254	1.1797	0.8309	1.1067	1.0458	1.1649	0.8762	0.7998	0.8873	0.9623	0.9135	1.1399	1.0427	1.0258	1.1837	0.8683
O-methyltyrosine	O-Methyltyrosine	1.5519	1.9279	1.0513	1.4842	0.3381	0.2981	0.3892	0.7437	2.1122	1	0.7008	1.3422	0.5339	0.8083	0.2981	0.5390	0.5911	0.7472	1.1255	1.2603	0.2981	1.0832	0.5385	0.7305	0.5282	1.4409	1.2995	1.0199	0.8522	1.2690	0.2981	1.3058	0.2981	1.2951	0.7857	0.2981
ophthalmate	Ophthalmic acid	1.5486	0.6050	0.2613	0.3144	0.7709	0.4972	2.0463	0.2392	0.7064	0.2467	0.4950	0.5387	0.5127	0.4786	0.5259	0.3091	0.4312	0.2574	1.3924	0.8946	2.5383	3.4566	2.0803	1.5520	1.1965	2.1034	1.0824	1.6110	4.1035	2.5335	1.2924	1.2154	2.3651	0.9176	3.7755	3.6437
ornithine	Ornithine	0.5351	0.4475	0.7406	0.5182	1.7339	0.6058	0.4661	0.6808	0.4760	0.6219	0.7921	0.5049	0.8310	0.8692	0.8986	0.8373	0.6325	0.4062	1.0497	1.1036	1.7750	1.3773	1.3182	1.3157	1.5154	1.6733	1.4452	0.9503	1.4974	1.2572	1.7253	1.7568	1.1883	1.4071	1.3056	1.7860
O-sulfo-L-tyrosine	Sulfotyrosine	1.1083	0.9868	1.0397	0.8356	0.5826	0.5849	0.7253	0.6405	0.6792	0.7794	0.7036	1.0132	0.5209	0.3636	0.6334	0.7808	0.9859	0.5204	1.1629	1.0430	1.2964	0.9331	1.5502	1.4339	1.0779	1.1066	1.4002	1.1561	1.4739	0.9571	1.1722	1.1325	1.1649	1.0215	0.9311	1.7186
o-Tyrosine	o-Tyrosine	1.0466	1.7780	0.8442	0.2950	0.2950	0.6215	0.9418	0.2950	1.2114	0.2950	1.2451	1	0.4537	0.6724	0.6582	0.8302	1.5201	0.2950	0.7240	1.2347	0.9301	0.7034	0.7900	1.1400	1.0904	1.3417	1.2395	0.2950	1.2887	1.1078	0.2950	1.1939	0.6400	0.2950	1.3112	0.4901
oxindolylalanine	Oxyindolylalanine	1.6097	1.6933	1.2756	0.8225	0.8177	0.4893	0.6004	0.8445	0.9062	1.3087	1.2465	0.9965	0.9601	0.5376	0.6365	0.6901	1.1410	0.7058	1.0993	0.8329	1.3596	1.4990	0.7725	0.8678	0.9490	1.2514	1.0838	0.7231	1.0035	1.2767	1.1762	1.3017	1.3700	1.0576	1.2762	0.7179
phenethylamine	Phenylethylamine	1.1190	0.7995	0.9965	1.0468	1.4324	0.8143	0.6455	0.5600	1.0293	0.6049	0.9564	0.6429	0.4588	0.5513	1.5297	0.4734	1	0.7899	1.7311	1.4975	1.1338	0.7409	3.7045	1.1214	0.7898	0.4588	1.2134	1.4546	0.6525	0.4588	1.2767	1.4285	1.3542	0.8533	0.4588	1.1859
phenylacetylcarnitine		0.3126	1.5839	0.2700	0.6268	0.8250	1.0122	0.1710	0.4296	0.1058	0.2032	0.4217	1.3641	0.7371	0.7479	0.2985	0.5560	0.3630	0.4089	1.0929	1.5567	2.2519	2.0440	0.8986	1.4024	1.2001	1.9047	1.4210	0.9631	1.7341	2.1947	0.9878	1.2291	2.2335	1.0502	1.3950	1.6946
phenylalanine	Phenylalanine	1.0257	1.2848	1.0317	0.8199	0.8488	0.7972	0.6505	0.7902	1.0895	0.9946	1.1287	1.0677	0.7383	0.7979	0.9619	0.9265	1.0890	0.8737	1.0796	0.8453	1.0179	0.9794	1.0525	1.0023	0.9386	0.9977	0.9858	0.8387	1.0130	0.9373	1.0669	1.0896	1.0121	1.0689	1.0434	1.0126
phenylalanylglycine	Phe-Gly	2.0178	3.6702	1.4755	0.9399	0.8632	0.3765	0.7326	1.1332	2.0150	1.9364	1.6567	2.3183	0.6483	1.3837	1.3423	0.7411	1.6853	1.6917	1.0259	0.9217	0.7965	0.7048	0.7660	1.1985	0.7376	0.9393	0.9138	1.1906	0.9767	0.8833	0.6003	1.1730	0.6761	1.0233	1.3295	0.9053
pipecolate	Pipecolic acid	3.6111	1.0133	0.5936	0.5617	0.6887	0.7417	0.3067	0.6989	0.5607	0.4574	1.1160	0.9584	0.8076	0.7773	0.7794	0.7707	1.0449	0.8416	1.6835	0.9658	1.5596	1.3325	0.9867	2.2533	2.0974	1.0530	1.3257	1.4756	1.4322	1.4705	1.2126	1.4164	0.8712	1.5575	2.0322	0.0144
piperidine	Piperidine	5.4966	0.7840	1.6987	0.9282	8.9165	1.6144	0.6819	1.1854	1.8830	1.4153	4.0440	0.5979	1.0112	0.9981	1.7111	1.2251	1.4109	1.1591	0.5960	0.6616	0.4314	0.8566	0.5529	0.7932	1.0019	0.7297	0.6819	0.6500	1.0259	0.6734	0.3863	0.6911	1.0327	1.3359	1.0841	0.7066
pro-hydroxy-pro	Pro-hydroxyPro	0.7305	0.7760	0.9770	1.0560	0.7974	0.9190	0.4691	0.6407	1.1600	0.7619	0.4899	0.8920	0.9063	0.9467	0.8278	0.8805	1.5408	0.5439	1.2095	1.0339	1.0211	0.9789	1.4925	2.6937	1.2437	1.2555	1.2478	1.1042	1.9184	1.2738	1.4658	1.2266	0.6680	0.9266	1.1160	1.1293
proline	Proline	1.0661	1.2588	0.9218	0.8423	0.8542	0.8306	0.6640	0.7494	0.8815	0.8005	1.1549	1.0152	0.8825	0.8366	0.8500	0.9455	0.9848	0.8166	1.0850	0.7796	1.1872	0.9464	1.0270	1.0358	0.9278	1.0744	1.3079	0.7840	1.1287	1.0225	1.3020	1.0889	1.1329	1.1341	1.1481	1.0219
prolylglycine	Pro-Gly	0.8599	0.9105	0.7935	0.6050	0.6422	1.1405	0.5883	0.6492	0.9421	0.6342	0.9654	0.9454	0.5619	0.9354	0.7869	1.1701	1.1124	0.6231	1.8333	0.9903	1.7135	0.9643	1.1542	1.3165	1.5925	1.0097	1.9534	0.7804	1.4088	1.1296	1.8234	1.3942	1.2119	2.2056	1.1487	1.0131
propionylcarnitine (C3)	CAR 3:0	0.8138	1.0705	0.7143	0.7810	0.9251	0.7448	0.5790	0.7209	0.7493	0.6908	1.0061	0.9007	0.6517	0.8997	0.8062	0.8707	0.7357	1.0596	1.0273	1.0326	1.4350	1.4497	0.8376	0.9779	1.3608	1.2659	1.1475	0.9939	1.1590	1.1221	1.2485	1.2713	1.4447	1.2127	1.1563	1.2669
pseudouridine	Pseudouridine	1.1332	1.1895	1.0143	0.9456	1.0546	1.0829	0.9770	0.7443	0.9709	0.9027	0.9072	1.1276	0.9857	0.6914	0.8136	0.8922	0.9113	0.7523	0.9426	0.8476	1.0291	1.1695	1.0963	1.2148	0.8819	1.3731	0.9664	0.8352	1.2406	1.0292	1.2846	1.1415	1.1995	1.1787	0.9104	1.0235
putrescine	Putrescine	0.6686	1.2335	0.6056	1.0266	1.1913	0.8136	0.7485	0.8745	0.7777	0.4993	1.0627	0.9674	1.0642	1.1451	1.3479	1.0109	0.8552	0.4448	0.9128	0.9327	2.0802	0.9618	1.7118	1.2562	0.9891	1.1204	1.3258	0.9830	1.4352	1.5611	2.0320	1.3402	0.8007	0.6579	0.8623	2.1463
pyridoxal	Pyridoxal	1.8451	1.2504	1.5819	1.0181	0.8408	1.7748	0.4061	0.6746	0.7632	0.6970	0.6080	0.9864	0.8228	2.1252	1.2084	1.3892	1.4270	0.8905	0.8185	1.6987	1.3876	0.8989	0.9125	1.5300	1.0585	0.8419	0.7205	1.4226	0.7011	0.9702	1.2588	1.0384	0.7787	1.4557	0.5152	1.0136
pyridoxamine	Pyridoxamine	1.0155	0.9483	1.2188	1.0600	1.0277	0.8625	0.6303	0.7458	1.0834	0.9746	0.9328	1.0697	0.7652	1.1585	1.5240	0.9092	1.0157	1.0308	1.1374	1.0619	0.9443	0.9093	1.0114	1.1806	1.0185	0.8928	0.8689	1.0552	0.8813	0.8735	0.8680	1.1481	0.8846	0.9933	0.7109	1.0067
pyridoxamine phosphate	Pyridoxamine 5'-phosphate	1.1104	1.5054	1.6626	1.4499	1.3706	1.3773	0.9558	1.3768	1.8832	1.6125	1.6740	1.8408	1.2146	1.6439	2.1714	1.5449	1.7380	1.7934	0.8743	0.9154	0.8348	0.9637	0.7536	0.8815	0.8670	0.8172	0.7979	0.8277	0.9524	1.0108	0.8293	0.9892	0.9869	0.8238	0.7177	0.9325
pyridoxine (Vitamin B6)	Pyridoxine	0.6055	1.4533	2.0309	0.9656	1.9593	0.9046	0.8293	1.1609	1.9155	1.4707	0.9628	2.4807	0.7130	1.1366	1.0082	1.0369	1.1844	2.1084	1.2010	1.3130	1.0540	0.7572	1.4751	0.9918	0.9197	0.8078	0.9657	0.8371	0.9129	0.9370	0.8519	1.7739	0.7216	1.0453	0.6713	0.8815
(R)-3-hydroxybutyrylcarnitine	CAR 4:0;3OH	1.1631	0.6146	0.8026	0.9333	1.3374	1.2763	0.5390	1.2630	0.5824	0.6589	1.7689	0.8707	0.9840	1.2323	1.2323	1.5577	0.8848	0.8181	1.2060	1.3333	1.1335	0.7436	0.5983	0.5517	0.9752	0.7716	1.2455	0.6172	0.9779	1.5996	1.4330	1.1378	1.1319	1.7500	0.4951	1.0160
(S)-3-hydroxybutyrylcarnitine	CAR 4:0;3OH	2.2495	2.1164	0.5927	0.5970	1.5222	1.1195	0.3794	1.0665	0.5826	0.3943	0.7578	0.7455	0.7509	0.7921	0.9790	1.2068	0.7505	0.4313	1.6253	1.6748	1.8564	0.7305	0.7257	0.3971	1.0670	1.0210	1.7262	0.7585	1.0289	3.2927	2.4142	0.7887	1.4973	3.2493	0.6504	1.2015
saccharopine	Saccharopine	1.1357	1.3225	0.3147	1.0433	2.3388	2.0204	0.3518	1.6068	0.8041	0.2475	0.8352	0.9567	2.3006	3.0625	1.5517	0.9145	0.3443	0.8552	0.4786	0.5312	1.1186	1.4431	0.9295	1.0590	0.4380	1.3071	1.2659	0.7158	1.2123	0.8210	0.9135	1.5722	1.0799	0.7725	1.4760	0.8552
S-adenosylmethionine (SAM)	S-Adenosylmethionine	0.6475	0.4013	0.8659	1.0947	1.8926	1.2136	0.3144	1.5767	1.4820	1.0989	0.8934	0.5802	1.5156	1.4290	2.3161	1.4946	0.5250	1.0177	0.4362	1.5204	0.8735	0.4109	0.4263	0.7022	0.7173	1.1118	1.5008	1.1462	1.5004	1.8326	0.3144	1	0.4329	0.3842	0.5934	0.7082
sarcosine	Sarcosine	1.0869	0.2660	1.8256	0.9714	1.0948	2.7049	0.2660	0.2660	0.2660	0.9361	2.0639	0.5389	0.2660	1.0096	1.3833	0.2660	0.8081	0.6403	1.1348	0.7098	0.9753	0.8697	0.4124	1	0.7963	1.4010	0.2660	2.3318	1.1851	1.5382	1.5507	0.8828	0.6233	0.2660	0.3812	1.2714
serine	Serine	1.0151	1.3547	0.8388	0.6738	0.6099	0.7333	0.4849	0.6293	0.8443	0.7962	1.0677	1.0558	0.6899	0.7490	0.7770	0.7981	0.9162	0.7121	1.1761	0.8471	1.3577	1.0246	1.0788	0.9400	0.9802	1.1934	1.4323	0.9849	1.3045	1.2028	1.2961	1.2941	1.2576	1.1559	1.2533	1.1275
serotonin	Serotonin	0.4337	0.9175	0.7919	0.4337	0.6304	0.7358	0.4337	0.7637	0.4337	0.8584	0.9691	1.1792	0.5302	0.8461	1	0.9834	0.4337	0.8900	1.8929	1.2990	0.4337	0.5879	0.4337	1.0785	1.7941	1.8879	1.9043	1.3700	0.4337	1.7655	0.4337	0.4337	1.0228	1.6781	1.0289	1.2255
S-lactoylglutathione	S-Lactoylglutathione	0.7704	0.5153	0.7453	0.9359	0.3508	1	0.5895	0.7886	0.6717	0.3508	0.3536	0.3508	0.5410	0.8594	0.3508	0.8963	1.0029	0.7319	1.2622	1.4774	1.4134	1.6505	0.5909	2.0712	2.0118	2.1549	2.4836	0.3508	1.9663	0.5671	2.0217	1.3695	1.7612	0.3508	3.0253	1.8966
S-methylcysteine	Methylcysteine	1.1386	1.3676	1.0917	1.2598	1.2294	1.5232	0.8334	1.1283	1.3236	1.0384	1.1388	1.3953	1.5183	1.1442	1.2962	1.1468	1.2455	1.0004	0.7594	0.6468	0.6172	0.6221	0.8782	0.6727	0.7345	0.7351	0.9996	0.8376	0.7269	0.9470	0.5852	0.8667	0.7210	0.6358	0.6873	1.0197
S-methylcysteine sulfoxide	2-amino-3-methanesulfinylpropanoic acid	1.1426	1.6304	1.3862	1.3709	1.5921	1.9753	0.6721	1.6153	1.7524	1.2147	1.3478	1.6742	1.1723	1.5954	1.5449	1.7437	1.7634	0.9716	0.4261	0.7600	0.8146	0.7447	0.3064	0.7402	0.6361	0.7166	1.1824	0.6442	1.0284	0.8491	0.6422	0.7176	0.9529	0.6048	0.9146	0.6009
S-methylmethionine	S-Methylmethionine	0.7366	0.6122	0.4012	0.6322	1.0848	0.6516	0.2619	0.7414	0.3689	0.2922	0.9002	0.7111	0.7165	0.6889	0.8074	0.8714	0.4150	0.3648	1.3625	2.0638	1.6592	1.2530	1.2136	1.3832	1.4138	1.5267	4.1811	0.9152	1.5325	1.1065	1.2618	1.3253	1.2856	1.7694	1.2849	1.6024
spermidine	Spermidine	1.0503	2.6595	0.8645	0.8536	0.4126	0.4420	0.3971	0.7135	0.9925	0.6779	0.9747	2.7295	0.5056	0.8443	1.0541	0.7429	1.0892	0.9974	0.8305	1.5099	0.9504	1.6815	0.8128	1.1853	1.1040	1.2097	1.0866	0.7935	1.3926	0.9751	1.0026	1.4283	1.0401	1.6164	1.1298	1.0772
spermine	Spermine	3.0581	4.4185	2.5961	0.8498	0.8006	0.7121	0.2412	1.1168	2.9459	1.8390	2.4067	4.9391	0.5563	1.8001	2.7853	0.8695	2.8123	3.6320	0.7025	1.8524	0.6547	1.1550	0.4743	0.9001	0.6820	0.8438	0.8611	0.7452	1.3038	1.1379	0.5309	1.1961	0.7235	0.9331	1.0669	0.9179
stachydrine	Stachydrine	1.7511	0.3995	1.0642	0.7445	1.9701	0.3398	4.6880	1.5755	0.8711	0.9358	0.6287	0.3846	0.7465	0.6758	0.5590	1.7333	0.7083	0.3961	3.3190	0.8929	2.6737	0.6279	3.3243	4.5395	2.4724	0.6115	0.8969	2.2291	4.4805	3.1613	5.3600	2.9205	0.4469	2.2962	0.4654	3.6882
succinylcarnitine (C4-DC)	CAR DC4:0	1.6542	1.9501	1.1574	1.0052	0.4025	0.5535	0.7211	0.4239	1.7711	0.9907	1.2029	1.4476	0.6019	0.6461	0.8685	0.4684	0.9600	1.7398	0.8295	1.0690	0.9156	1.5176	1.4086	1.9884	0.9108	1.8899	0.9114	1.4061	1.4496	0.7504	0.8596	1.6570	0.9948	0.6505	2.2142	1.3210
succinylglutamine		0.6393	1.0200	0.6105	1.1340	0.7656	0.8827	0.6908	0.8344	0.8698	1.4311	0.9889	0.8819	1.3701	0.7797	0.3902	0.7898	1.3346	0.7581	1.3243	0.7854	0.9566	1.3924	1.2147	0.9864	1.4376	1.1866	1.6742	0.8589	1.6979	0.5972	1.0229	1.1430	1.4189	1.0111	1.6284	2.4741
taurine	Taurine	0.6956	0.7612	1.4069	0.9522	1.0520	0.7927	0.9433	0.7962	1.3079	1.2933	0.9543	0.7641	0.8654	0.9616	0.9985	0.9243	0.9288	1.0128	0.9243	1.0487	1.0047	1.2549	1.0706	0.9332	1.1693	1.0367	1.2344	1.0015	0.9895	0.8910	1.1916	1.1500	0.9498	1.0804	1.0197	1.0090
thiamin monophosphate	Thiamine monophosphate	0.6965	0.4066	1.6318	1.5667	1.1064	0.9304	0.7380	0.9543	1.4575	1.0151	1.7095	1.5168	1.0607	0.4066	1.9840	1.1481	1.5221	0.4066	0.4066	0.7474	0.6571	0.4066	0.4066	0.7776	0.4066	0.7283	1.0729	0.5546	0.9849	0.4066	0.4066	0.4066	0.7722	0.4066	0.4066	0.4066
thiamin (Vitamin B1)	Thiamine	1.5003	1.8741	1.2105	0.7963	0.8399	0.6728	0.4219	0.6544	1.4970	0.9154	1.3788	1.5097	0.5537	0.7008	1.2263	1.0184	1.1680	1.1043	0.9518	1.1161	1.0273	0.9187	0.9937	1.0641	0.9584	0.9124	0.9537	0.6648	1.1309	0.9153	1.0063	1.5430	0.8147	1.1276	0.8214	1.1047
thioproline	Thioproline	0.8752	1.2748	1.2058	0.8463	1.0069	1.6720	0.6215	1.0143	1.2335	0.9094	1.1163	1.1758	1.0066	1.2635	0.9636	1.4107	1.2557	0.6373	0.8836	0.7985	1.2037	0.9300	0.8218	0.9876	0.9934	0.9774	0.9474	0.9514	1.3173	1.1021	1.1274	0.8950	0.7469	1.3486	0.8250	1.1966
threonine	Threonine	0.9189	1.2655	0.9512	0.7260	0.6645	0.7945	0.4909	0.6704	0.9455	0.7780	1.0399	1.0745	0.7275	0.7888	0.8171	0.9211	1.1039	0.7308	1.1260	0.8401	1.2043	1.0078	0.9924	0.9597	1.0120	1.0463	1.2481	0.8608	1.1534	1.0076	1.2168	1.1910	1.0921	1.2584	1.1770	1.0536
threonylphenylalanine	Thr-Phe	3.0127	5.6330	1.0281	0.5807	0.6661	0.2582	0.3176	0.8919	2.6271	1.0720	1.2427	2.9332	0.2284	1.2594	1.2631	0.5757	1.0268	1.7282	0.9980	2.4608	0.6464	0.4421	0.5463	1.2662	0.7472	0.7751	1.7746	1.0227	1.1992	0.6480	0.3084	1.0020	0.2257	0.5543	1.9713	0.8281
tiglylcarnitine (C5:1-DC)	CAR DC5:1	0.7253	0.6927	0.7868	0.6134	1.1354	0.8612	0.4068	0.7745	0.6848	0.6559	1.4047	0.7130	0.5164	0.6882	1.0736	1.1107	0.8197	0.7809	1.0135	1.3855	1.4944	1.3702	0.8569	0.8314	1.5299	1.2926	1.1271	0.7422	1.0479	1.4501	1.1134	1.1192	1.3012	1.8751	0.9865	1.3248
trans-4-hydroxyproline	trans-4-Hydroxyproline	0.8432	1.1111	0.8815	0.7874	0.9765	0.9033	0.6480	0.6156	1.1787	0.7158	0.8222	1.0180	0.9415	0.8266	0.6355	0.6941	0.9820	0.5812	0.9964	0.9556	1.1459	0.7187	1.4968	2.1610	1.1824	1.2023	1.7387	1.3965	1.7929	1.2122	1.5460	1.1858	1.0036	1.0226	1.0799	1.1906
trigonelline (N^-methylnicotinate)	Trigonelline	5.6102	0.7613	0.4618	1.0135	2.3459	0.2242	4.6422	1.7407	0.5769	0.3755	2.7105	0.7592	0.7693	0.9865	0.5433	1.9050	0.6074	0.6607	0.4264	7.4837	3.3506	1.5032	1.8499	0.2391	0.2258	2.0419	15.1576	1.0828	1.2078	0.9833	3.3833	0.2933	1.7551	0.2511	0.5620	3.6413
trimethylamine N-oxide	Trimethylamine N-oxide	1.9876	1.8637	0.4317	0.8407	1.6965	1.3744	0.6309	0.7149	0.4317	0.4317	1.8693	1.5098	0.7527	0.6536	0.8256	0.8227	1.1908	0.4317	2.3062	1.8109	0.8465	2.9702	0.8364	0.8532	0.7053	1.0036	0.9964	0.6610	0.7949	0.4317	1.2536	1.1057	1.3125	1.7114	3.5027	0.7140
tryptophan	Tryptophan	1.1420	1.3038	1.0416	0.9191	0.8143	0.9242	0.5529	0.8328	1.1384	0.9557	1.2062	1.0740	0.8103	0.8132	0.9993	1.0455	1.2921	0.7732	1.0663	0.8446	1.0046	0.9634	1.0233	0.8617	0.9745	1.0007	1.0097	0.7600	0.8780	0.8431	1.0700	1.0988	1.0287	1.1411	1.0329	0.9985
tryptophan betaine	Lenticin	0.2401	0.2401	0.2401	0.2401	1.3002	0.2401	0.2401	0.2401	0.2401	0.2401	0.2401	0.2401	0.2401	0.2401	0.2401	0.2401	0.2401	0.2401	4.3378	0.2401	0.2401	0.2401	1.3019	1.3726	1.0120	0.5873	0.2401	0.5923	0.2401	0.2401	0.3527	0.9880	0.2401	1.2517	0.2401	0.4720
tryptophylglycine	Trp-Gly	1.5531	1.6715	1.2765	0.6084	0.7405	0.6111	0.3669	0.3855	1.5229	0.8631	1.6515	1.7276	0.4177	0.3669	1.2158	1.2107	1.5661	0.6575	0.8204	1.1075	1	1.2165	0.9037	1.1272	0.8073	0.8347	0.3878	0.6837	1.0057	0.8010	0.9222	1.5159	1.2507	1.3371	0.9507	1.0209
tyramine	Tyramine	0.6040	0.4633	0.0907	0.1193	0.4120	0.2581	0.1778	0.0553	0.0619	0.0404	0.4825	0.1285	0.1048	0.0890	0.7136	4.5208	0.0367	0.0435	21.4756	34.8432	21.0656	2.8663	167.6828	9.9731	10.9952	3.8546	11.6903	9.4570	1.2864	0.2817	29.3023	46.5532	97.7430	9.9463	2.1735	44.3618
tyrosine	Tyrosine	1.2736	1.5790	1.1763	0.8947	0.7817	0.9396	0.5829	0.7590	1.2628	0.9995	1.3234	1.2469	0.7652	0.8866	1.0228	1.0507	1.4260	0.9018	1.0682	0.7680	1.0960	0.9806	0.2060	0.9585	0.9258	1.0253	1.1509	0.7548	1.1095	0.9670	1.0826	1.0005	0.6637	1.2664	1.1736	0.9765
uracil	Uracil	0.7174	0.5349	0.7347	0.7065	1.4021	1.7550	0.6391	0.6969	0.4784	0.5319	0.8520	0.4650	1.3575	0.5103	0.7218	1.2352	0.4287	0.2779	1.5126	0.5908	1.5408	2.3209	1.9370	1.0461	1.0557	2.6674	1.6088	0.8735	1.0475	1.1561	2.5503	0.9539	1.8164	1.2624	0.8439	1.5080
urea	Urea	0.6302	1.1274	0.6996	1.0775	0.8323	0.8978	0.5087	1.2700	0.5112	0.5642	0.6197	1.1647	1.0809	0.8320	0.8936	1.5268	0.6081	0.7402	0.6078	1.3109	1.3135	1.1869	0.9175	0.4820	0.9225	1.4683	1.0874	0.8122	1.7757	1.4777	1.1603	1.0906	1.2564	0.7867	1.1666	1.1597
valerylcarnitine (C5)	CAR 5:0	0.7399	0.7861	0.8473	0.7487	1.2892	1.0740	0.6531	0.9532	0.7822	0.6769	0.9990	0.8202	0.7443	0.9983	0.9481	1.2798	0.7544	1.0061	1.0010	1.0484	1.6521	1.3968	0.6672	0.6207	1.4026	1.2809	1.0107	0.7503	1.0485	1.0936	1.5070	1.1598	1.2843	1.5399	0.9558	1.3338
valine	Valine	1.0985	1.4709	1.0801	0.7848	0.8579	0.8384	0.5137	0.7448	1.1024	0.9686	1.2836	1.1683	0.7061	0.8221	0.9520	0.9972	1.2549	0.8682	1.0900	0.8609	1.0481	1.0028	0.9636	0.9716	0.9938	1.0301	1.0665	0.7925	1.0803	0.9864	1.1366	1.1602	1.0766	1.1727	1.0976	0.9808
valylglutamine	Val-Gln	1.5082	1.9331	1.6746	0.8354	0.8265	0.8406	0.7975	0.9456	2.1222	1.4720	1.2435	1.4684	0.6883	1.1543	1.4543	1.0254	1.3262	0.9940	0.9301	0.8674	0.8269	0.8445	0.8590	1.1603	0.9259	1.0060	1.0351	0.9115	1.2169	0.8850	0.9475	1.2652	0.8296	1.0924	1.4640	0.9525
valylglycine	Val-Gly	1.9054	2.4263	1.4972	0.8858	0.6871	0.7271	0.7389	0.7818	1.8596	1.3315	1.6839	1.8240	0.6001	1.0008	1.3445	1.0659	1.6084	1.1683	0.9236	0.8822	1.0735	0.8052	0.7095	0.8411	0.7664	0.8160	0.9992	0.7363	1.0170	0.9499	1.0553	1.1090	0.9015	1.1320	1.1510	0.8839
valylleucine	Val-Leu	2.6884	3.8521	1.2633	0.6750	0.6083	0.3961	0.4469	0.9504	2.3958	1.2221	1.3143	2.6845	0.3080	1.2054	1.3774	0.7741	1.0367	1.3329	0.9708	2.0786	0.9104	0.7431	0.8065	1.2020	1.0292	0.8826	1.2022	0.8291	1.1503	0.7852	0.5469	1.1194	0.5817	0.7292	1.2906	0.9322