Metabolite_name	RefMet_name	NACH-00276	NACH-00277	NACH-00278	NACH-00279	NACH-00280	NACH-00281	NACH-00271	NACH-00272	NACH-00273	NACH-00274	NACH-00275
Factors	-	GROUP_ID:CON	GROUP_ID:CON	GROUP_ID:CON	GROUP_ID:CON	GROUP_ID:CON	GROUP_ID:CON	GROUP_ID:GOS	GROUP_ID:GOS	GROUP_ID:GOS	GROUP_ID:GOS	GROUP_ID:GOS
1-methyl-4-imidazoleacetate	Methylimidazoleacetic acid	1.2107	1.2530	0.9024	0.9449	0.9048	1.6120	0.9641	0.9245	1.3855	1.2071	1
1-methyl-5-imidazoleacetate	1-Methyl-5-imidazoleacetic acid	1	1.2651	0.8561	1.5061	0.7569	3.5316	0.5353	0.8766	1.1309	2.9463	0.8367
1-methylhistamine	1-Methylhistamine	1.2996	1.3728	0.8805	1.0686	1	1.1086	0.7993	1.0587	0.7264	0.7842	0.9542
1-methylhistidine	1-Methylhistidine	0.8394	1.0903	0.9905	1.3639	1.0792	1.3230	0.4122	0.7994	0.7402	1.5964	1
1-methylnicotinamide	1-Methyl nicotinamide	1.2053	1.2920	1	1.1767	1.0282	2.1799	0.2598	0.8209	0.8065	0.9084	0.4092
1-ribosyl-imidazoleacetate*	Imidazoleacetic acid riboside	2.2962	2.4263	0.5889	1.5147	0.9323	0.9700	0.2534	1	1.1447	2.3815	0.6215
2-aminoheptanoate	2-Aminoheptanoic acid	2.7792	1	1.9736	2.3590	1.8999	2.8227	0.8553	0.7379	0.5426	0.4917	0.4458
2^-deoxycytidine	Deoxycytidine	0.9436	1.0930	1.0525	1	0.7631	1.2320	1.0007	0.6421	0.9694	1.2257	0.7671
2-hydroxyglutarate	2-Hydroxyglutaric acid	1.1094	1.0062	0.8242	0.8249	0.8531	0.9365	1.2431	1.0365	0.9821	1	1.1695
2-methylbutyrylcarnitine (C5)	CAR 4:0;2Me	1.2453	1	0.7370	0.9806	1.0397	0.9453	2.2649	1.1936	0.9373	0.9531	1.4191
2-methylmalonylcarnitine (C4-DC)	CAR DC3:0;2Me	0.9938	0.6210	2.1109	0.6210	0.6289	2.5524	0.6210	0.8126	1.5450	0.6210	1.0062
2^-O-methylcytidine	2'-O-Methylcytidine	1.4576	1.5212	1	0.6422	1.1803	0.9202	1.1189	0.8633	1.0183	0.8236	0.6594
2-oxoarginine*	2-Oxoarginine	1.1458	0.9654	0.8083	1.0149	0.9202	1.1741	0.6087	1.1178	1.1369	1	0.8565
3-amino-2-piperidone	3-Amino-2-piperidone	0.9665	1.0082	1.4784	1.1228	0.7844	4.0437	2.2092	0.8889	0.9592	1	0.9086
3-aminoisobutyrate	3-Aminoisobutanoic acid	1.3657	0.5168	2.0032	0.8437	1.3662	1.8237	3.0030	0.6350	1	0.5858	0.8686
3-hydroxyhexanoylcarnitine (1)	CAR 6:0;3OH	0.3989	0.3989	0.4433	1.1226	0.3989	1.5925	0.8765	0.8774	0.3989	1.6682	1.1604
3-hydroxyhexanoylcarnitine (2)	CAR 6:0;3OH	0.9997	1.1155	0.8811	0.9518	0.9917	1.6403	1	1.0989	1.0199	1.1880	0.9107
3-methylcrotonylglycine	3-Methylcrotonylglycine	1.5782	1.1130	0.7401	1	0.5792	1.2787	0.4999	0.6256	1.1241	1.4120	0.9109
3-methylcytidine	3-Methylcytidine	0.4907	2.2560	1.0068	0.7480	1.0243	0.4907	0.8694	0.9932	0.6620	1.2446	1.0127
3-methylhistidine	3-Methylhistidine	0.9273	1.2348	1.0151	1	1.1314	1.2499	0.6674	0.9938	0.8727	0.6833	1.2066
3-phosphoglycerate	3-Phosphoglyceric acid	1.0338	0.3131	1.0602	1.3781	1	6.9425	0.5892	0.5644	2.7716	0.6375	0.3355
3-ureidoisobutyrate	Ureidoisobutyric acid	0.5038	0.5038	0.5038	0.5038	0.5038	0.5038	11.2370	0.5038	0.6591	1.3409	0.5038
3-ureidopropionate	Ureidopropionic acid	1	1.1678	0.9917	1.0379	1.0019	0.7245	2.3325	0.8429	0.6074	0.9774	1.5042
4-acetamidobutanoate	4-Acetamidobutanoic acid	0.8998	1	0.9456	1.2295	1.0693	1.2645	0.6957	1.4010	0.9293	0.4593	1.6922
4-guanidinobutanoate	4-Guanidinobutanoic acid	1.1463	0.7423	0.5525	1.4190	0.7252	1	0.8337	1.1120	1.4162	0.8563	1.3779
4-hydroxybutyrate (GHB)	4-Hydroxybutyric acid	3.2501	1.9263	1.8101	0.8672	2.3942	0.7451	0.7196	1	1.1017	0.5514	0.9095
4-imidazoleacetate	Imidazoleacetic acid	1.0869	1.2835	0.7728	1.0931	0.7646	1.5490	0.9665	0.4841	1	1.0189	0.6306
5_6-dihydrothymine	Dihydrothymine	0.5371	1.6817	0.9505	0.8296	0.6488	1.3023	2.3208	0.5910	1	1.6276	2.3126
5-aminovalerate	5-Aminopentanoic acid	1.0031	0.9546	0.4854	1.6317	0.9969	2.8677	2.6266	0.8988	0.7909	0.4854	2.2817
5-(galactosylhydroxy)-L-lysine	5-(Galactosylhydroxy)-lysine	0.5006	1.0874	0.5748	1	0.8954	2.3820	0.5006	0.5784	1.1099	1.1252	0.5006
5-hydroxylysine	5-Hydroxylysine	1.0356	1.1860	1.1410	1	1.2338	0.8790	0.7003	0.8711	0.7382	0.8723	1.3540
5-methyl-2^-deoxycytidine	5-Methyl-2'-deoxycytidine	1.0316	1.2037	1.0265	0.8782	1	1.2519	0.9201	0.7124	0.9957	1.0338	0.6870
5-methylcytidine	5-Methylcytidine	1.0865	1.3927	1.0402	0.9020	0.7936	1	0.8628	0.5901	1.1715	1.1268	0.6247
5-methylthioadenosine (MTA)	5'-Methylthioadenosine	1.0657	0.9174	1	1.1569	1.0712	2.4514	0.8190	0.9653	1.5803	0.8827	0.9285
5-methylthioribose**	5-Methylthioribose	0.9798	0.9212	1.4106	1.0417	1.1422	1.3317	0.6904	0.8813	1	0.9430	1.4944
7-methylguanine	7-Methylguanine	1.0865	1.2895	0.9516	0.8277	0.8686	1.5506	1	0.7816	1.2219	1.0248	0.6534
acetylcarnitine (C2)	CAR 2:0	0.9903	1	1.0076	1.0478	0.9181	1.0961	1.0076	0.9604	1.0458	0.9508	0.9646
adenine	Adenine	1.5727	2.4882	0.9444	1.0491	1.1293	1	0.6972	0.9866	1.1180	0.6950	0.8119
adenosine	Adenosine	1	1.4110	0.9322	1.7702	0.7879	0.7709	0.0483	1.1057	0.4436	1.9446	1.0325
adenosine 5^-monophosphate (AMP)	AMP	1.2357	1.2353	0.4645	1.4719	1	1.1349	0.0041	1.1083	0.6541	0.8772	0.5671
adipoylcarnitine (C6-DC)	CAR DC5:0	1.0624	1.2075	0.9547	0.8042	0.7515	0.5457	1.8424	1	1.5650	0.8640	1.0392
alanine	Alanine	0.9942	1	0.9890	0.9962	1.0343	1.3266	1.1882	1.0248	0.9389	0.8233	1.1507
anserine	Anserine	1.1249	1.0598	0.9617	0.8145	1.0640	1.0670	0.5618	0.9000	1	0.7399	1.0669
anthranilate	2-Aminobenzoic acid	1	0.6629	0.6020	1.1773	1.2114	1.2339	1.0360	0.7315	0.9659	0.5542	1.0618
argininate*	Argininic acid	1.6300	1.6490	0.8853	1	1.2922	0.5801	0.3952	1.2958	1.1458	0.8637	0.9590
arginine	Arginine	1.0001	0.8116	0.9906	1.1052	1	1.3277	0.4449	0.8727	0.9142	1.0844	1.0414
argininosuccinate	Argininosuccinic acid	0.9050	1	0.3956	0.8715	0.7987	1.1070	0.8415	1.5000	1.2918	1.5849	1.8889
asparagine	Asparagine	1.0068	0.9388	0.9778	1.1903	0.9836	1.4272	1.7782	0.9571	0.9476	1	1.1974
aspartate	Aspartic acid	0.9928	0.8994	1.0104	1.0800	0.9617	2.1332	1.1244	0.8662	0.9142	1.1737	1
beta-alanine	beta-Alanine	1.0457	1.2646	0.8575	0.9066	1.1881	1.2950	0.8838	0.8491	0.9445	1.0450	1
beta-hydroxyisovaleroylcarnitine	CAR 4:0;OH,Me	1.0641	1.2841	1	0.8341	0.8134	0.7681	1.0555	0.9885	0.9276	1.0790	1.0366
betaine	Betaine	1.0304	1.0760	0.8959	1	0.9711	1.0130	1.8811	0.8441	0.9317	1.0124	0.7552
butyrylcarnitine (C4)	CAR 4:0	0.8215	0.7824	0.6354	1.0395	0.8310	0.8556	1.1405	1.3617	1.0528	1.0635	1
carboxyethyl-GABA	N-Carboxyethyl-gamma-aminobutyric acid	1.7309	1.4806	0.8080	1.3732	0.7691	1.3494	0.7768	1	0.7844	2.1074	0.7856
carnitine	Carnitine	0.9903	1	0.8487	1.2047	0.9273	1.3036	1.0472	0.8722	0.9218	1.1954	1.0044
carnosine	Carnosine	1	1.0490	1.3210	0.8409	1.0661	1.5965	0.5108	0.8447	0.8446	0.7715	1.0433
choline	Choline	1.0281	1	0.8618	1.0295	1.0219	1.3094	0.9022	0.8774	0.9718	1.2202	0.8495
choline phosphate	Choline phosphate	0.9683	1.3054	1.1349	1.0876	0.9288	2.2650	0.6864	0.9139	1.7201	0.9699	1
citrulline	Citrulline	1	0.8434	0.8923	1.1036	1.0098	1.2327	1.0090	0.9515	0.8992	0.9846	1.0012
creatine	Creatine	0.9567	1.0147	0.8589	1.1044	0.8728	2.3596	0.8792	1	1.3556	1.6031	0.9665
creatinine	Creatinine	1.2681	1.2753	0.9060	1	0.8860	1.6005	0.9747	0.8638	1.2259	1.4756	0.8810
cystathionine	Cystathionine	1.0942	1.5068	0.7191	0.9484	0.8250	1.7694	1	0.8546	1.7272	2.0740	0.9187
cysteine	Cysteine	0.9251	1.3255	0.9358	0.8025	1	1.5727	0.5481	1.0390	1.0059	0.9744	1.0475
cysteine-glutathione disulfide	S-Glutathionyl-cysteine	1.0083	1.1769	0.6006	1	1.0335	1.1017	0.5719	1.0054	0.9566	0.5844	0.8105
cysteine sulfinic acid	3-Sulfino-alanine	1.0263	1.2532	0.7426	1.4451	1.0785	0.7192	0.7246	1.1057	0.9517	1	0.8749
cysteinylglycine disulfide*	Cysteinylglycine disulfide	1.3588	1.7100	0.9873	0.8636	1.2689	0.9739	0.8261	0.8261	0.8261	1	1.2835
cystine	Cystine	0.6709	0.4341	1.2664	1.7683	1.1519	1.3266	0.4162	1	0.4364	0.6195	1.1313
cytidine	Cytidine	1.2702	1.3657	0.6926	0.8981	0.7791	1.1303	1.1350	0.6407	1	1.1327	0.5798
cytidine 2^ or 3^-monophosphate (2^ or 3^-CMP)		1.0012	1.2831	1	1.4245	0.7655	5.1983	0.3930	0.8442	1.5895	0.6075	0.2818
cytidine 5^-monophosphate (5^-CMP)	CMP	1.1393	0.9637	1.2033	1.2113	0.8877	2.7323	0.6902	0.8611	1.4137	1	0.9922
cytosine	Cytosine	0.7521	0.9433	0.3856	1.0567	0.6959	1.4911	1.6093	0.5021	1.1529	1.9606	0.3856
deoxycarnitine	3-Dehydroxycarnitine	0.9774	1.1617	0.8324	0.9409	1.0071	1.0136	1.3895	0.9421	1.0820	1	0.8998
dihydroxyacetone phosphate (DHAP)	Dihydroxyacetone phosphate	0.9723	0.9655	1	1.6357	0.3881	6.5478	0.2963	1.3394	1.0846	1.2650	0.5508
dimethylarginine (SDMA + ADMA)	Dimethylarginine	1.0240	1.0262	1.0474	0.9585	1.1194	1.1360	0.8030	0.8093	0.8527	0.7507	1
dimethylglycine	Dimethylglycine	0.9310	1.1424	0.8496	1.0168	0.8894	1.0588	1.6908	1	0.9963	1.2516	0.8749
dimethyl sulfone	Dimethyl sulfone	0.4774	0.4774	1.3169	0.4774	0.4774	0.8429	1.4981	0.8495	1.6080	0.4774	1
ergothioneine	Ergothioneine	1.0095	0.8979	1	0.4713	1.0791	1.0099	1.0749	0.8530	1.9807	0.5056	0.6672
ethyl alpha-glucopyranoside		1.4427	0.5019	0.5573	0.4899	0.4899	3.4904	0.4899	0.4899	0.4899	1.7465	0.4899
formiminoglutamate	Formiminoglutamic acid	0.7952	1.2317	0.6052	1.1900	0.4486	1.3053	3.3088	1	0.7500	0.7958	1.5486
fructosyllysine	Fructosyllysine	0.8659	0.8275	0.6509	1.3044	1.1508	1.3420	0.6409	1.0948	0.8042	1.1827	1
gamma-glutamyl-2-aminobutyrate	gamma-Glutamyl-2-aminobutanoate	0.5556	0.5556	0.5556	1.1259	1	0.5556	1.6491	0.8478	0.9489	0.5556	1.7930
gamma-glutamylalanine	gamma-Glutamylalanine	1.5837	1.0471	0.5471	0.9529	0.5471	0.5471	1.6555	0.5971	0.5471	1.8133	0.7708
gamma-glutamyl-alpha-lysine	gamma-Glutamyllysine	1.1824	0.9271	1.3645	0.8952	1.0444	1.0881	0.7119	0.8980	0.9386	1	1.5064
gamma-glutamylcitrulline*		1.1763	1	0.6174	0.9475	1.0099	0.1950	1.1134	1.0176	0.5315	1.2233	0.9181
gamma-glutamyl-epsilon-lysine	Epsilon-(gamma-Glutamyl)-lysine	0.7950	1	0.9817	1.2165	0.9316	3.2431	0.4469	0.7847	1.0799	4.3617	1.0559
gamma-glutamylglutamate	gamma-Glutamylglutamic acid	1.1403	1	0.9145	0.9444	0.9463	1.0103	1.5331	0.8628	1.2208	0.9018	1.2395
gamma-glutamylglutamine	gamma-Glutamylglutamine	1	0.8996	0.8961	1.0427	1.0318	0.5350	1.5405	0.9645	0.6525	1.0141	1.1490
gamma-glutamylglycine	gamma-Glutamylglycine	0.9696	1.0499	1.0598	0.8683	1.0326	1.0596	0.9362	0.9785	1.0541	0.9568	1
gamma-glutamylhistidine	gamma-Glutamylhistidine	0.7366	0.7257	0.7103	1.2862	0.9978	1.8263	1.2506	1.1275	0.8227	1.3470	1
gamma-glutamylisoleucine*	gamma-Glutamylisoleucine	1.0479	0.9284	1.0574	0.9455	0.8691	1.1606	0.8044	1	0.9245	1.0832	1.5920
gamma-glutamylleucine	gamma-Glutamylleucine	0.9769	0.7969	1.1086	1	0.9621	1.2243	1.0155	1.0620	0.9247	0.8391	1.8149
gamma-glutamylmethionine	gamma-Glutamylmethionine	1.0843	0.8564	0.4909	1.1204	0.9358	0.0771	1	1.1297	0.2828	1.0989	1.1297
gamma-glutamylphenylalanine	gamma-Glutamylphenylalanine	1.0857	0.8642	1.1013	0.8732	0.9919	1.0121	2.2622	1	0.9575	0.8742	1.7329
gamma-glutamylserine	gamma-Glu-Ser	0.8718	0.8907	1.0658	1.0316	1	1.1924	1.2320	0.9445	0.7436	0.9789	1.1578
gamma-glutamylthreonine	gamma-Glutamylthreonine	1.0681	0.9734	1.0572	0.9542	1	1.2075	0.7942	0.8781	0.9738	1.1774	1.1181
gamma-glutamyltryptophan	gamma-Glutamyltryptophan	1.1473	0.7577	1.3602	1	0.7859	0.7577	3.0619	0.9731	0.8200	0.7577	2.0039
gamma-glutamyltyrosine	gamma-Glutamyltyrosine	0.8175	0.7834	0.9324	0.8446	0.9249	1.7155	2.5705	1.0297	1	1.5141	2.0200
gamma-glutamylvaline	gamma-Glutamylvaline	1.0073	0.8710	1	0.8749	0.9082	1.2248	0.8669	0.9547	1.0741	1.0680	1.4412
glutamate	Glutamic acid	1.0681	0.9613	0.8686	1	0.9548	1.5775	1.3041	0.8672	1.3119	0.9775	1.2374
glutamine	Glutamine	1.0400	1	0.9974	1.0307	0.9432	1.1289	1.6041	0.8328	0.9456	0.8427	1.0448
glutarylcarnitine (C5-DC)	CAR DC5:0	1.0251	1.3993	0.9315	0.5753	1	0.4404	2.5089	1.3381	2.2632	0.5671	0.6014
glutathione_ oxidized (GSSG)	Oxidized glutathione	0.8390	1	0.7386	1.7056	1.0522	2.8564	0.4840	0.9266	1.7740	1.4829	0.4931
glycerol 3-phosphate	sn-Glycero-3-phosphate	1	1.0296	0.9400	1.1400	0.9833	2.1167	0.7977	0.9143	1.3509	1.4023	0.9744
glycerophosphorylcholine (GPC)	sn-Glycero-3-phosphocholine	1.2259	0.9881	0.8437	1.2347	1.1765	1.2575	0.6557	0.9980	1	1.1289	0.9921
glycerophosphoserine*	sn-Glycero-3-phosphoserine	0.9255	0.8655	0.8637	1.5312	1.3304	2.0844	0.6742	1	1.2633	1.0218	0.8302
glycine	Glycine	0.9689	1.0641	0.9825	0.9862	1.0220	1.2753	1.0394	1	1.0359	0.9395	0.9236
glycylvaline	Gly-Val	1	0.6731	0.8647	1.3944	0.7945	1.2085	1.6907	1.1934	1.0224	0.8134	0.9354
guanidinoacetate	Guanidoacetic acid	0.8143	0.8708	0.5648	1.3963	0.7638	2.9581	2.2274	1.0770	1	2.0112	0.7259
guanosine 5^- monophosphate (5^-GMP)	GMP	1.1498	1.1078	0.6801	1.5065	1	1.6007	0.0065	0.9032	0.8222	1.2662	0.6739
hexanoylcarnitine (C6)	CAR 6:0	1.0091	1.0154	0.6653	1.0474	0.7661	0.6647	1.5219	1.4535	0.9667	1	0.8497
histamine	Histamine	1	0.7490	0.8697	0.8693	1.0239	3.7063	1.0646	0.7970	2.2880	0.8094	1.3294
histidine betaine (hercynine)*	Hercynine	1.1251	0.4669	0.3804	1.0356	1	1.4999	1.2697	0.7561	1.3439	0.5891	0.9535
homoarginine	Homoarginine	1.1532	0.8451	1.0587	1	1.1368	0.9195	1.1729	0.9187	0.8461	0.7999	1.3239
homocitrulline	Homocitrulline	0.8899	1	1.4201	0.5152	1.2565	0.5152	0.6608	1.0323	0.8875	0.5152	1.4097
homostachydrine*	(S)-Homostachydrine	1.1465	0.4979	1	1.8120	0.2986	1.5358	0.2986	0.2986	0.2986	0.9021	0.2986
hydroxyasparagine**	Hydroxyasparagine	1	1.0466	1.1487	0.8731	1.0116	1.1809	0.5226	0.8571	0.8469	1.0608	0.9757
hydroxy-N6_N6_N6-trimethyllysine*		1.1102	1.1073	1	0.8504	1.6758	2.0013	0.5321	0.8867	1.8438	0.9257	0.5974
imidazole lactate	Imidazolelactic acid	1.3520	1.7012	0.7170	1	0.8600	1.2652	0.7138	0.7500	1.4367	1.9420	0.5225
imidazole propionate	Imidazole propanoate	1.9636	0.9628	0.4152	1	0.4659	1.2709	0.6111	1.2804	2.0086	0.6264	1.0001
indoleacetate	Indoleacetic acid	0.6280	0.7950	0.5955	0.7593	1	1.1180	1.5741	1.2356	0.9453	1.3519	1.9923
indolelactate	Indolelactic acid	0.8310	1.0706	0.8659	0.9844	0.8424	0.9140	1.6131	1.0359	1	1.2998	1.2882
indolepropionate	3-Indolepropionic acid	1.1743	1	1.0122	1.2208	1.2215	0.3598	1.0962	0.5022	0.5626	0.3704	0.5864
indolin-2-one	Indolin-2-one	1.1317	1.0491	0.7149	0.8802	1.0532	1.2986	1	0.7563	1.2930	0.6951	0.2470
inosine 5^-monophosphate (IMP)	IMP	0.8438	0.9920	0.5080	1.2297	0.7220	2.7829	0.4668	1.4172	1.2558	1.0080	0.4668
isobutyrylcarnitine (C4)	CAR 3:0;2Me	1.2501	1.0831	0.7062	0.9359	0.7842	0.5247	1.6824	1.1410	1.1677	0.6751	1
isocaproylcarnitine	Isocaproylcarnitine	1.1015	1.3021	0.7497	0.9600	0.7110	0.5521	1.4998	1.2727	1.3800	0.9312	1
isocitrate	Isocitric acid	0.7086	1.5628	0.7985	1	0.6919	1.3237	0.7621	0.9191	1.0476	1.1065	1.4904
isoleucine	Isoleucine	1.1415	1.1055	0.9203	1.2129	0.8713	1.1000	1	0.9017	0.8628	0.8179	1.1972
isovalerylcarnitine (C5)	CAR 4:0;3Me	0.8797	0.4206	0.7394	1.1997	0.3912	1.0193	1.1663	1.1152	1	0.6643	1.1555
kynurenine	Kynurenine	1.0245	0.7678	0.7339	0.9858	0.7527	1.1397	1.3328	0.8637	1	1.0945	1.0125
leucine	Leucine	1.1302	1.0592	1	1.2074	0.9450	1.0595	0.9516	0.9428	0.9305	0.7395	1.2650
lysine	Lysine	1.0587	0.9361	1.1362	1.1078	1	1.1964	0.9398	0.8798	0.9236	0.9380	1.1923
methionine	Methionine	0.9806	0.8924	1.1068	1.0978	0.9388	1.2928	1.1858	1	0.9354	0.9010	1.1703
methionine sulfone	Methionine sulfone	1.0672	1	0.7597	0.5625	0.6075	0.8041	2.1728	1.1969	1.1269	0.9783	1.3114
methionine sulfoxide	Methionine sulfoxide	1.2091	0.6913	0.7623	1.4497	0.9079	1.2326	1.4871	1	0.7741	0.8388	1.6430
methyl indole-3-acetate	Indole-3-methyl acetate	0.9788	0.4779	1.0737	1.1153	0.8865	1	2.9367	1.2560	0.9473	2.5444	0.8380
methylphosphate	Methanolphosphate	0.9579	0.8357	1	1.6246	1.1288	3.4646	1.6107	0.7296	1.6057	0.9714	0.6490
mevalonolactone	Mevalonolactone	1.6171	0.5249	1.2652	0.9473	1.6207	1.9296	0.9932	1	1.1552	0.9065	0.6640
N1-Methyl-2-pyridone-5-carboxamide	N1-Methyl-2-pyridone-5-carboxamide	1.6565	1.5944	0.3078	0.7420	1	2.2623	0.6428	0.6000	1.0417	2.2989	0.7748
N1-Methyl-4-pyridone-3-carboxamide	N1-Methyl-4-pyridone-3-carboxamide	1.6053	2.1078	0.9648	1	1.0666	2.5988	0.4815	0.7723	0.9306	2.6957	0.6118
N1-methyladenosine	1-Methyladenosine	1.1690	1.2753	1.1079	0.9338	1.1213	1.4611	0.9200	0.9021	0.9901	0.9205	1
N1-methylinosine	1-Methylinosine	1.5088	1.4415	0.8254	0.9188	1	1.4245	0.5960	0.7398	1.1395	1.3494	0.8293
(N(1) + N(8))-acetylspermidine	Asparagine	1.0729	1.5457	1.0054	0.6724	1	0.2859	1.7983	0.9061	0.3638	0.6105	1.1222
N2-acetyl_N6_N6-dimethyllysine	N2-Acetyl,N6,N6-dimethyllysine	1.2349	1.4795	0.6291	1.3051	0.9354	1.1508	0.6291	0.8467	0.9327	1.0646	0.6627
N2_N2-dimethylguanosine	N2,N2-Dimethylguanosine	1	1.3580	0.8274	0.8253	0.9279	1.1577	1.6478	0.7235	1.0878	1.2934	0.6357
N4-acetylcytidine	N4-Acetylcytidine	1.3030	2.0271	0.8397	0.5637	0.7354	2.2398	0.5637	0.5638	1.1603	0.5637	0.5637
N6-carboxymethyllysine	N(6)-Carboxymethyl-lysine	1.1465	0.7266	1	1.0745	1.2876	2.5123	0.6789	0.6248	1.4762	0.6553	0.5165
N6-methyllysine	N(6)-Methyllysine	0.9303	0.9797	1.1456	1.0592	0.9540	1.1528	1.4628	0.9780	0.8020	1	1.5734
N6_N6-dimethyllysine	N(6),N(6)-Dimethyl-lysine	1.0605	1.1402	1.0626	1	1.1158	0.9537	0.8770	0.8667	0.8682	0.8554	1.0011
N6_N6_N6-trimethyllysine	N-6-Trimethyllysine	1.1129	0.7800	1	1.1653	1.6344	2.1820	0.8310	0.7930	1.6205	0.6749	0.7406
N-acetyl-1-methylhistidine*	N-Acetyl-3-methylhistidine	1	1.5066	0.5390	1.0287	0.7315	1.4385	0.3676	0.7959	1.2001	1.3463	0.4979
N-acetyl-3-methylhistidine*	N-Acetyl-3-methylhistidine	1.1701	1.1795	0.4125	0.9938	0.5909	1.0062	0.2966	0.8378	1.3885	1.9808	0.2966
N-acetylarginine	N-Acetylarginine	1	0.6462	0.6859	1.1628	0.8389	1.0131	0.7652	1.2356	1.1102	0.9832	1.0901
N-acetylasparagine	N-Acetylasparagine	0.7892	0.6034	1	1.0227	0.8198	1.3751	1.2183	1.0958	0.9163	0.8353	1.2734
N-acetyl-aspartyl-glutamate (NAAG)	N-Acetyl-Asp-Glu	0.9294	1.0545	1.2407	1	0.9713	1.1948	0.7133	0.8808	1.0412	1.0217	0.8530
N-acetylcarnosine	N-Acetylcarnosine	1.2397	1.2103	0.4947	1.3355	0.7509	1.2421	0.6102	0.4947	1.5861	0.7348	0.7897
N-acetylglucosamine/N-acetylgalactosamine	N-Acetylhexosamine	0.9757	0.9958	1.0465	1.2293	1	1.4430	0.7955	0.9774	0.8015	1.1589	1.1563
N-acetylglucosaminylasparagine	Aspartylglycosamine	1.0911	1	0.9763	1.1812	1.5730	2.6456	0.7509	0.8815	2.2698	0.8356	0.7824
N-acetylglutamate	N-Acetylglutamic acid	0.8105	0.8224	0.8297	0.7463	0.6126	1.0258	1	1.0036	1.2695	1.1826	1.1558
N-acetylglutamine	N-Acetylglutamine	0.9054	0.8532	1.0091	1.5798	1.2314	1.6197	0.7351	1	0.7540	0.8087	1.2248
N-acetylhistidine	N-Acetylhistidine	1.3408	1.3058	0.5924	1.0494	0.7870	1	0.9632	0.9625	1.2285	1.6742	0.8530
N-acetyl-isoputreanine	N-Acetylisoputreanine	0.9567	2.0446	0.8752	0.8752	1.0433	0.8752	1.3904	0.8752	0.8752	0.8752	0.9220
N-acetylkynurenine (2)	N-Acetylkynurenine	1	0.5496	0.6219	0.5496	0.5496	0.7947	1.6740	1.4686	1.2132	1.3883	0.7162
N-acetylmethionine sulfoxide	N-Acetylmethionine sulfoxide	1.2368	0.5485	0.5988	1.5571	0.7067	1.1135	1.2364	1	0.5532	0.6798	1.9092
N-acetylproline	N-Acetyl-proline	1	0.3249	0.4505	2.3818	0.8922	1.4495	2.2512	1.0340	0.6924	0.7990	1.6710
N-acetylputrescine	N-Acetylputrescine	1.0925	1.3326	1.0257	1	0.9935	1.2915	1.4336	0.9947	0.7048	0.8440	0.9980
N-alpha-acetylornithine	N-Acetylornithine	1.0399	0.6732	0.2973	1	0.2973	0.5789	2.1842	0.3936	1.0294	1.9242	0.2973
N-glycolylneuraminate	N-Glycoloylneuraminic acid	0.8254	1.0774	1	1.2143	0.9670	3.0489	0.6968	0.8354	1.3151	1.4638	0.9944
nicotinamide	Niacinamide	1.2240	1.0762	0.8517	1	1.0388	1.9717	0.8385	0.7738	1.6489	0.9633	0.6205
nicotinamide N-oxide	Nicotinamide N-oxide	0.9091	0.5989	1.1182	1.3648	1.1034	1.8573	0.1165	0.6760	1	1.1382	0.5911
nicotinamide ribonucleotide (NMN)	Nicotinamide ribotide	1.5343	0.5541	0.9636	1	2.7160	0.5541	2.6353	0.9421	1.7370	0.5541	0.8629
nicotinamide riboside	Nicotinamide riboside	1	1.3827	0.2600	1.1918	1.0118	1.0733	0.8195	1.2080	0.9880	0.6895	0.7373
nicotinate ribonucleoside	D-Ribosylnicotinate	0.9871	1.0425	0.8379	0.9271	1.1742	0.3718	2.1055	1.7667	1.2584	0.6665	1
N-methylproline	N-Methyl-proline	1	0.8580	1.1216	2.7278	1.8488	1.6450	0.8845	0.7749	1.0767	0.9273	0.9124
N-monomethylarginine	Targinine	1	1.0708	1.0221	0.9420	1.1433	1.0404	1.0383	0.8230	0.9157	0.8203	0.7714
N_N-dimethylalanine	N,N-Dimethylalanine	1.0559	0.9441	4.0694	4.0092	0.1973	0.1973	0.1973	0.2850	0.1973	1.6726	0.7185
N_N_N-trimethyl-5-aminovalerate	N,N,N-trimethyl-5-aminovalerate	1.2664	0.7905	1.0469	0.6995	1.2001	1.0265	0.9385	0.9444	1	0.7297	1.0279
N_N_N-trimethyl-alanylproline betaine (TMAP)	N,N,N-Trimethyl-alanylproline betaine	0.9614	1.0731	2.3425	0.7420	1	4.1315	0.6572	0.9651	2.1388	0.9007	1.4030
ophthalmate	Ophthalmic acid	1.2113	1	0.6892	0.6307	0.7676	1.8290	3.4844	0.7372	3.7020	1.3755	0.7422
ornithine	Ornithine	0.9649	1.0630	0.8258	1.2477	0.9493	1	2.1129	1.0284	0.9113	0.8483	1.0436
pantothenate	Pantothenic acid	0.7758	1.0797	0.9268	0.9348	0.8201	1.3341	1	1.0212	1.1773	0.8991	1.1227
phenylacetylglycine	Phenylacetylglycine	1.1927	1	1.1743	1.4058	1.4507	2.1144	0.2899	0.9764	0.9611	0.7305	0.4807
phenylalanine	Phenylalanine	1.1331	1.1170	0.9840	1.1651	0.9602	1	1.5720	0.9504	0.9679	0.8743	1.1014
phosphate	Phosphoric acid	1.0110	1	0.9787	1.2744	0.9684	2.5392	0.7722	0.8066	1.0324	1.3788	0.7541
picolinate	Picolinic acid	0.7542	0.5970	0.4808	0.5679	0.5373	1	1.1878	1.1238	1.0793	1.1779	1.0789
picolinoylglycine	Picolinoylglycine	1.5711	1.3814	0.7860	0.7458	0.4084	5.5468	1	0.8984	1.6862	2.2354	0.5180
pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC)	CAR DC7:0	0.4085	1.3100	1.0560	0.6720	1.6639	0.2451	0.9440	0.8440	2.4421	0.2451	2.3267
pipecolate	Pipecolic acid	1.3094	1.2963	0.8907	1	1.1426	1.1925	0.5061	0.7142	0.9827	0.9241	1.0762
pro-hydroxy-pro	Pro-hydroxyPro	1.4001	1.5573	1	1.0835	1.2351	0.9721	0.7368	0.5219	1.2598	0.8786	0.6767
proline	Proline	1	0.7931	0.8538	1.1204	0.9234	1.6898	1.2899	1.0822	0.9640	0.9388	1.3553
prolylglycine	Pro-Gly	1.6406	1.2601	0.7348	1	0.6438	0.8510	1.3889	0.6539	1.1431	1.0103	0.5188
propionylcarnitine (C3)	CAR 3:0	0.9588	1	0.7751	1.0302	1.0300	0.5850	1.4931	1.1274	0.9652	0.7228	1.3464
putrescine	Putrescine	1.2535	1.1319	1	1.0051	1.0281	1.0947	0.9540	0.9276	0.6830	0.6964	0.9701
pyridoxal	Pyridoxal	0.9556	1.0356	1	0.9088	0.7395	1.3516	0.9275	1.0907	0.9504	1.3479	1.2784
pyridoxamine	Pyridoxamine	1	0.5755	0.4216	0.4216	0.8299	3.3735	0.8796	1.2479	0.4216	1.7720	1.1299
pyroglutamine*	Pyroglutamine	1.0172	1	0.6281	0.8931	0.6827	1.4417	1.4636	0.7170	1.2445	1.4194	0.6403
quinolinate	Quinolinic acid	1	0.6593	0.4045	0.8377	0.8321	1.6458	0.7084	1.4963	1.8698	1.3015	1.2652
(R)-3-hydroxybutyrylcarnitine	CAR 4:0;3OH	1.1296	1.1054	1	0.9120	0.9315	0.8877	1.4861	1.0788	1.1573	0.7198	0.8987
S-1-pyrroline-5-carboxylate	1-Pyrroline-5-carboxylic acid	0.6164	0.6920	1.0700	1.1749	0.7223	2.4014	1.4684	0.8432	1.1578	0.6291	1
(S)-3-hydroxybutyrylcarnitine	CAR 4:0;3OH	0.9880	1.0473	1.3700	0.6862	0.7504	1.9016	1.2240	1	1.5112	0.8001	0.9451
sarcosine	Sarcosine	1.0768	1.0527	0.7033	0.8133	0.5924	0.8174	1	1.2352	1.5457	0.5432	1.1166
serine	Serine	0.9834	1.0058	1.0211	1.0893	0.9891	1.4470	1.4584	0.9892	0.9670	0.9949	1
serotonin	Serotonin	1.5155	1.6056	0.9159	1.3045	0.8890	0.5277	0.8128	1.1186	0.6505	1.3308	1
S-methylcysteine sulfoxide	2-amino-3-methanesulfinylpropanoic acid	0.8130	0.6747	0.6747	0.6747	0.6747	0.6747	2.2688	0.6747	0.6747	0.6747	1.1870
S-methylmethionine	S-Methylmethionine	0.0786	0.1333	0.0645	1	1.8324	4.2991	18.7042	7.5125	7.0648	0.5466	0.9013
spermidine	Spermidine	1	1.3222	1.2908	0.6121	1.7190	1.3172	0.9365	0.8983	1.5006	0.6136	0.9204
spermine	Spermine	0.9472	1.8636	3.1886	0.4630	1	1.2809	0.5440	0.4630	2.9337	0.4630	0.8350
stachydrine	Stachydrine	0.2808	0.9851	0.4769	1.2531	0.8130	1.9187	0.4841	2.5042	2.2539	1.4706	1
succinylcarnitine (C4-DC)	CAR DC4:0	1.1990	0.7530	1.3087	0.7602	1.0468	4.3283	0.7859	0.8201	2.2125	0.6529	1
taurocyamine	Taurocyamine	0.2532	0.2532	0.6474	0.2532	0.2532	1.2708	0.2532	0.2532	1.3074	1.0437	0.9563
thiamin monophosphate	Thiamine monophosphate	1.2283	1.6241	1	0.6616	0.7632	0.9461	0.6495	1.3745	1.2820	0.6495	0.6495
thiamin (Vitamin B1)	Thiamine	0.9609	1.7704	1.2271	0.8030	1	0.7661	0.2652	1.9825	1.3292	0.8803	1.0282
thioproline	Thioproline	0.7542	1.6689	0.6653	0.6913	0.7185	1.6846	0.2480	1.2086	1	1.4056	1.3298
threonine	Threonine	1.0564	0.9424	1.0125	1.0638	0.9189	1.2188	1	0.9710	0.8966	0.9179	1.1124
tigloylglycine	Tiglylglycine	2.5691	2.2721	0.7193	1	0.8648	0.5333	0.6211	1.0980	1.2040	0.9717	1.4908
tiglylcarnitine (C5:1-DC)	CAR DC5:1	0.4104	0.4104	0.6510	0.4104	0.4104	2.0695	1	1.1677	0.9139	0.4104	1.1851
trans-4-hydroxyproline	trans-4-Hydroxyproline	1	0.9908	1.0940	1.1485	1.1152	1.4343	0.5881	0.8623	0.6857	0.8807	1.0622
trans-urocanate	Urocanic acid	0.5043	1	6.2528	1.0160	0.4606	16.9707	3.0779	0.7625	0.5014	0.6737	2.1972
trigonelline (N^-methylnicotinate)	Trigonelline	0.6612	1.3401	0.6567	0.5119	1.1951	1.0699	0.2216	2.5046	0.9218	1	2.4647
trimethylamine N-oxide	Trimethylamine N-oxide	1.4464	1.0292	1.3216	1	0.7602	0.7042	0.2665	0.5633	1.0025	0.8735	1.2393
tryptophan	Tryptophan	1.0788	0.8481	1.0177	1.1568	0.9559	1	1.5923	0.8596	0.9469	0.8507	1.1821
tyrosine	Tyrosine	1.0426	0.9577	1	0.9694	0.9672	1.2054	2.2678	1.0567	0.9265	0.9331	1.6061
uracil	Uracil	1.0067	1.1100	0.9698	1	1.2626	1.1017	1.4612	0.9642	0.7686	0.7406	0.8854
urea	Urea	1.0007	0.9858	0.9684	1	0.8590	1.2732	0.7417	1.0383	1.1072	1.1437	0.9680
uridine 5^-monophosphate (UMP)	UMP	0.9431	1.0686	0.6485	1.5050	0.9552	2.1288	0.6485	1.0448	0.8664	1.1076	0.6807
valine	Valine	1.1859	1.0255	0.9983	1.0720	0.8325	0.9894	1.1445	1	0.9413	0.7092	1.1310
valylglycine	Val-Gly	0.6156	1.3844	0.6156	0.6156	0.6156	0.6156	0.6156	0.6156	0.6156	0.6156	0.6156
xanthurenate	Xanthurenic acid	0.8404	0.8549	0.8169	1.0422	0.8871	2.1773	1	1.4199	0.7742	1.3634	1.2936