Metabolite_name	RefMet_name	NACH-00288	NACH-00289	NACH-00290	NACH-00291	NACH-00292	NACH-00293	NACH-00282	NACH-00283	NACH-00284	NACH-00285	NACH-00286	NACH-00287
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	GROUP_ID:GOS
1-methyl-4-imidazoleacetate	Methylimidazoleacetic acid	0.4020	0.9325	0.9943	1.0057	1.0405	1.1742	0.2020	0.9729	0.5033	1.5858	1.5233	1.9483
1-methyl-5-imidazoleacetate	1-Methyl-5-imidazoleacetic acid	0.6826	1.0117	1.2606	1.0525	0.5319	1.1123	0.2418	0.5518	0.9883	1.0682	0.4410	1.6055
1-methyladenine	1-Methyladenine	0.5309	0.3244	0.7239	1.0172	0.3244	0.3244	1.1144	0.9828	0.3472	1.1805	1.2428	1.1070
1-methylnicotinamide	1-Methyl nicotinamide	0.1748	0.1763	0.1748	0.1748	0.8086	0.1748	1.2412	1.1914	0.1748	2.4792	0.1748	0.1748
1-ribosyl-imidazoleacetate*	Imidazoleacetic acid riboside	0.4549	0.4549	0.4549	0.8869	0.4549	0.4549	0.4549	0.4549	0.4549	6.2362	1.1131	0.4549
2_8-quinolinediol	Quinoline-2,8-diol	0.5416	0.5416	0.5416	2.9630	0.5416	0.5416	0.5966	0.5416	0.5416	0.8775	1.1225	9.2501
2^-deoxyadenosine	Deoxyadenosine	0.7162	0.5969	0.5706	1.1380	0.1035	0.8620	2.6810	0.1035	1.9087	2.7804	0.1035	2.5346
2^-deoxyadenosine 5^-monophosphate	dAMP	0.6463	0.6463	0.6463	0.7663	1.7980	0.6463	0.6463	2.7271	0.6463	1	1.6983	0.7633
2^-deoxycytidine	Deoxycytidine	0.8119	1.8052	0.7554	0.9521	0.4102	0.5332	1.7344	0.7014	1.2900	1.5702	1.1017	1.0479
2^-deoxycytidine 5^-monophosphate	dCMP	0.3493	0.5755	0.3493	1.0188	1.0541	0.3493	0.9682	1.6947	0.3493	0.7205	1.0686	1
2-hydroxyglutarate	2-Hydroxyglutaric acid	0.5059	0.3825	0.8979	1.2299	0.7234	0.5308	1.4103	1.7164	0.3566	1.1021	3.0936	2.9685
2-methylbutyrylcarnitine (C5)	CAR 4:0;2Me	0.2935	0.8450	0.2935	0.2935	1.1917	0.2935	0.2935	2.0615	0.2959	0.2935	1.1550	0.2935
2^-O-methylcytidine	2'-O-Methylcytidine	0.7569	0.4261	0.9222	1.0493	1.3155	0.6153	0.9507	1.6969	0.7774	2.0944	2.0103	1.4086
2-oxoarginine*	2-Oxoarginine	0.9890	0.7191	1.1555	1.0990	0.8125	0.9720	1.0111	0.5439	1.0161	1.2564	0.3747	1.0110
2-piperidinone	2-Piperidinone	1	0.3832	0.6850	0.2599	0.2599	5.0058	23.0011	1.4955	0.3689	1.1268	0.4535	3.9447
2-pyrrolidineacetic acid	2-Pyrrolidineacetic acid	0.9414	0.8372	0.7744	2.3334	0.6731	1.4078	0.6332	1.0586	0.5940	2.2377	2.6636	4.6570
3-aminoisobutyrate	3-Aminoisobutanoic acid	0.5999	1.1373	0.5054	0.6188	0.8362	1.7806	0.8627	1.6685	1.8318	1.6935	1.4861	0.6610
3-sulfo-L-alanine	Cysteic acid	1.5190	0.9807	1.6523	1.0183	0.7089	0.8330	1.6424	0.4781	0.9555	1.4373	0.9817	2.6332
3-ureidoisobutyrate	Ureidoisobutyric acid	1.0365	0.6234	0.9241	1.3318	0.7946	0.7174	3.1009	0.6619	4.1018	2.4624	1.4438	0.9635
3-ureidopropionate	Ureidopropionic acid	0.4804	0.3352	0.4941	0.6975	1.7231	0.3170	1.6825	1.2995	0.7848	2.4344	4.1340	1.2152
4-guanidinobutanoate	4-Guanidinobutanoic acid	0.8998	0.9610	1.1723	0.9357	1.4511	0.7536	0.7881	1.3018	1.0390	1.3457	1.3460	0.9068
4-imidazoleacetate	Imidazoleacetic acid	0.5955	1.1260	0.4490	0.7729	1.2076	0.4584	1.3912	1.4670	0.7344	2.5046	1.3745	0.8740
5-aminovalerate	5-Aminopentanoic acid	0.7785	0.6124	1.4763	0.8921	0.9640	0.7978	2.2100	1.0360	0.8614	1.6086	2.5555	2.8097
5-hydroxyindoleacetate	5-Hydroxyindoleacetic acid	0.9426	1.8092	1.0574	0.3956	5.2190	0.6932	1.4272	5.9371	0.5641	0.7774	6.5039	0.8613
5-methylthioadenosine (MTA)	5'-Methylthioadenosine	1.2736	0.5901	1.0595	0.6902	0.5018	1.0669	2.8414	1.3445	0.6752	0.5630	0.9405	1.3301
7-methylguanine	7-Methylguanine	0.9586	2.5123	1.0414	0.4897	0.7179	0.9020	4.0805	2.0128	4.7560	1.4886	0.3491	0.4457
acetylcarnitine (C2)	CAR 2:0	0.6800	3.9303	0.4869	1.0709	10.1789	0.6773	0.5721	12.6820	0.9291	1.4810	12.6422	0.3744
adenine	Adenine	1.0237	1.3206	0.5641	0.9065	1.0654	1.0722	1.1135	0.9763	1.0791	0.8816	0.7658	0.9569
adenosine	Adenosine	0.9170	0.7481	0.5846	1.3061	0.4542	1.0830	2.6251	0.6322	1.4168	1.1401	0.8601	1.6669
adenosine 5^-monophosphate (AMP)	AMP	0.3429	0.2945	0.2976	2.6146	2.1212	0.3759	1.6096	2.3329	0.5487	0.8823	4.7440	1.1177
agmatine	Agmatine	0.3659	0.1742	0.3829	1	0.3942	2.0990	4.2014	0.2066	2.0229	2.0076	0.1742	1.8922
alanine	Alanine	0.8710	1.0400	0.8067	0.9874	1.4671	0.6843	1.4611	1.7333	0.8133	0.8678	1.9416	1.0126
alanylleucine	Ala-Leu	1.2287	0.1684	1.0229	2.4676	0.9729	0.9771	1.9302	0.7946	0.9217	1.5538	0.1900	2.1181
anserine	Anserine	0.2867	0.2867	0.4039	0.2867	1.4873	0.2867	0.2867	1.9805	0.2867	0.2867	10.2520	0.5127
arginine	Arginine	0.9452	1.0794	0.9557	0.7728	2.8293	0.5564	1.4981	1.7760	0.9904	1.0096	1.1595	0.7581
ascorbate (Vitamin C)	Vitamin C	0.0048	0.0048	0.0048	0.0048	0.7555	0.0048	0.0048	1.2445	0.0048	0.0048	2.0637	0.0048
asparagine	Asparagine	0.9814	0.9740	1.0690	1.2333	1.0186	0.6685	1.6481	1.0878	0.5107	0.4850	1.0416	0.5168
aspartate	Aspartic acid	0.4248	0.3938	0.4620	1.0367	1.2710	0.5180	1.2673	1.4979	0.4822	0.9633	2.3980	1.4465
beta-alanine	beta-Alanine	0.5591	1.0355	0.6744	0.7168	0.9065	0.6981	1.2895	1.4227	0.9645	1.0730	2.1989	1.0728
betaine	Betaine	0.7608	2.8441	0.5530	0.5176	5.5936	0.5808	1.0476	6.4375	0.9524	1.0572	6.0020	0.6818
betaine aldehyde	Betaine aldehyde	0.8260	13.3633	0.4736	0.4736	16.9616	0.6514	0.4736	15.7484	0.5206	1.0607	22.3274	0.9393
biotin	Biotin	1.2536	0.8686	0.9636	0.7955	0.7955	1.1091	0.7955	0.7955	1	1.2886	0.9441	1.1663
butyrylcarnitine (C4)	CAR 4:0	0.5014	1.3665	0.4594	0.6558	6.2330	0.5749	0.4170	5.2400	1	1.3135	5.4893	0.4170
cadaverine	Cadaverine	0.0720	0.6450	0.0720	0.0720	1.6140	0.0720	0.0720	1.3550	0.0883	0.0720	1.5835	0.0720
carboxyethyl-GABA	N-Carboxyethyl-gamma-aminobutyric acid	0.9718	0.5423	1.1163	1.7742	0.4657	1.0800	0.8710	0.7124	0.4352	1.0282	1.5943	2.6650
carnitine	Carnitine	0.7320	2.4344	0.7139	0.8586	4.8413	1.0151	0.9329	5.6911	0.9849	0.9841	6.2093	1.0399
choline	Choline	0.8992	2.4644	0.9520	0.6788	4.3621	0.7582	0.8823	4.5290	1.0239	1.8791	6.6411	0.9761
choline phosphate	Choline phosphate	0.3237	2.9861	0.2714	1.0885	9.1683	0.4067	1.4125	13.6873	0.2187	0.2462	18.2031	0.9115
citrulline	Citrulline	1.1148	0.7727	0.8852	1.7003	0.5790	1.4913	1.6097	0.7090	0.6106	0.7974	1.2672	1.7721
creatine	Creatine	0.8800	2.2485	0.8754	0.9121	2.4146	0.9831	0.9816	3.8509	1.0174	1.0169	4.5156	0.9568
creatinine	Creatinine	0.7565	1.2643	0.4895	0.9655	3.1872	0.6439	0.6124	6.3837	0.8099	3.1620	7.2317	1.0345
cystathionine	Cystathionine	0.7051	0.7051	0.7051	0.7051	0.7051	0.7051	0.7051	1	0.7051	0.7051	3.1304	0.7051
cysteine	Cysteine	0.9524	0.8339	0.7228	0.9096	3.5127	1.0476	1.4274	4.3351	0.6015	0.7386	4.2749	1.8851
cysteine sulfinic acid	3-Sulfino-alanine	1.1209	1.0274	0.7144	0.6931	1.2157	0.6184	1.1273	0.8866	1.1529	0.6972	0.9726	1.0479
cysteinylglycine	Cys-Gly	0.7594	1.2896	0.7540	0.5889	3.1990	1.1640	0.5965	4.0277	0.9076	1.0924	6.7178	0.4663
cysteinylglycine disulfide*	Cysteinylglycine disulfide	1.2615	6.8567	0.2503	0.5996	4.4015	0.4081	0.2503	3.9529	0.2503	0.7385	14.6196	0.2974
cystine	Cystine	1.1584	1.1240	0.5852	0.8346	1.3869	0.4507	0.8492	0.9990	1.0010	0.6900	3.2057	1.6250
cytidine	Cytidine	0.7862	1.0346	0.7031	1.0549	0.9654	0.4888	1.1081	1.3483	1.2390	0.8424	1.1853	0.7491
cytidine 5^-monophosphate (5^-CMP)	CMP	0.6365	0.6696	0.7484	1.4425	1.8285	0.4875	2.1009	2.5221	0.8043	0.7704	4.7389	1.1957
cytosine	Cytosine	1.0172	0.9828	0.7313	1.1521	0.5416	0.9189	1.3764	0.6082	1.1633	1.2861	0.8200	1.7202
deoxycarnitine	3-Dehydroxycarnitine	1.0413	0.4464	1.0113	0.9887	0.4332	1.2713	1.0426	0.6587	0.4366	0.8644	1.8466	1.4236
diacetylspermidine*		2.2984	0.6611	1.9110	0.2417	0.2417	0.6847	1.1138	0.2417	0.8862	0.6061	1.1742	2.4248
diaminopimelate	2,6-Diaminopimelic acid	1.0114	0.1677	0.6287	1.6706	1.9891	0.9838	1.0620	3.2945	0.8609	0.5443	0.9886	1.5218
dihydrobiopterin	4a-Carbinolamine tetrahydrobiopterin	0.7577	0.8666	0.7907	0.7577	1.1334	0.7577	0.7577	1.3146	0.7577	0.7577	2.1669	0.7577
dimethylarginine (SDMA + ADMA)	Dimethylarginine	0.3348	0.6055	0.6415	0.6119	1.9711	0.2721	1.1957	2.9065	0.8043	1.4741	4.7611	1.3703
dimethylglycine	Dimethylglycine	0.4373	0.9509	0.4334	0.7281	1.7299	0.4334	1.1023	1.8152	1	1.9697	3.4840	0.5632
ergothioneine	Ergothioneine	0.6307	1.9912	1.0979	0.7151	6.4546	0.7449	0.9930	7.9494	1.0070	0.9402	17.7775	0.3766
ethyl alpha-glucopyranoside		1	0.4701	2.9750	0.8298	0.9988	1.2725	0.9595	0.4701	1.5402	2.4695	0.6019	1.3185
formiminoglutamate	Formiminoglutamic acid	0.9979	0.3072	0.8787	0.7129	0.7705	0.9781	1.2015	1.5388	1.7743	1.0258	1.0021	1.4165
fructosyllysine	Fructosyllysine	0.4450	0.4385	0.9595	0.9474	2.7693	0.2823	1.4827	3.1096	0.7810	1.7100	3.2571	1.0405
gamma-glutamylalanine	gamma-Glutamylalanine	0.5906	2.0549	0.5069	1.0533	6.0076	0.6571	1.0103	8.0931	0.5369	0.9897	18.6923	0.7916
gamma-glutamyl-alpha-lysine	gamma-Glutamyllysine	0.9077	1.0441	0.7854	1	2.5508	0.7279	1.3453	2.6684	0.6309	0.8951	6.5113	0.6309
gamma-glutamylcitrulline*		0.3542	1.3577	0.3542	1.1684	0.8795	1.1205	0.4013	1.8112	0.3542	0.7072	10.9171	0.8370
gamma-glutamyl-epsilon-lysine	Epsilon-(gamma-Glutamyl)-lysine	0.9883	0.7115	1.2558	1.5143	0.7146	0.9904	1.9083	0.8361	1.3858	1.0096	0.6487	1.7327
gamma-glutamylglutamate	gamma-Glutamylglutamic acid	0.0509	0.1873	0.0509	0.4985	4.3507	0.3089	0.6667	8.9243	0.0509	1.3333	61.8429	1.7845
gamma-glutamylglutamine	gamma-Glutamylglutamine	0.5954	5.3503	0.8343	0.8694	13.6614	0.6821	1.0494	19.9340	0.8421	1.6502	59.8871	0.9506
gamma-glutamylglycine	gamma-Glutamylglycine	0.0140	0.1317	0.0140	0.0140	1	0.0140	0.0140	1.4882	0.0140	0.0140	6.2654	0.0140
gamma-glutamylhistidine	gamma-Glutamylhistidine	0.0597	0.1889	0.0597	0.0597	1	0.0597	0.0597	2.1590	0.0597	0.0597	5.5055	0.0597
gamma-glutamylisoleucine*	gamma-Glutamylisoleucine	0.7784	4.9283	0.9190	1.0014	8.0208	0.9387	0.8550	12.2410	0.9986	1.1227	23.7946	0.8063
gamma-glutamylleucine	gamma-Glutamylleucine	0.7808	1.0503	0.7842	0.9497	1.4732	0.5864	1.6713	1.5651	0.6751	0.6466	2.1353	1.1772
gamma-glutamylmethionine	gamma-Glutamylmethionine	0.8003	3.9977	0.8220	1.0560	5.9776	0.8679	0.9276	8.7549	0.9296	1.4647	16.7439	0.9440
gamma-glutamylphenylalanine	gamma-Glutamylphenylalanine	0.6521	2.7256	0.5760	1.0707	7.2760	0.4651	0.9293	10.3732	0.7997	1.2584	20.1368	0.8426
gamma-glutamylserine	gamma-Glu-Ser	0.3409	3.0562	0.3387	0.3760	13.4038	0.5499	0.6199	23.5658	0.4403	1.4778	71.4778	1.3801
gamma-glutamylthreonine	gamma-Glutamylthreonine	0.6118	3.3431	0.5980	1.0959	10.7385	0.7232	0.8816	19.5212	0.6436	1.3878	43.6238	0.9041
gamma-glutamyltyrosine	gamma-Glutamyltyrosine	0.6578	2.4740	0.6004	1.1072	5.9079	0.6632	1.0025	10.1504	0.5138	0.9975	22.5441	0.7381
gamma-glutamylvaline	gamma-Glutamylvaline	0.6105	4.2535	0.9012	0.9751	8.3203	0.8393	0.6105	11.9989	0.6105	1	22.8280	0.6105
glutamate	Glutamic acid	0.7115	0.4948	0.8813	1.0484	0.9566	0.6730	1.5155	1.3778	0.5354	1.0434	2.1728	2.1235
glutamate_ gamma-methyl ester	Glutamic acid, gamma-methyl ester	0.9350	0.4278	1.0426	0.9574	0.8036	0.7614	1.8841	1.3366	0.4597	1.8645	1.5134	1.7996
glutamine	Glutamine	0.9375	1.7155	0.9802	0.8704	2.1332	0.8235	1.9843	2.8515	1.0198	0.9055	3.9834	0.9184
glutaminylleucine	Gln-Leu	0.9408	0.5188	0.8787	1.8045	1.1596	0.8978	1.7697	1.0592	0.8136	1.1471	0.2435	1.7701
glutamyl-meso-diaminopimelate		1.0310	0.7204	1	1.3203	0.9206	1.1622	2.8928	0.6424	0.8107	0.5511	0.5511	2.7022
glycerol 3-phosphate	sn-Glycero-3-phosphate	0.4075	1.1228	0.2464	1.2677	20.1279	0.4115	0.6979	12.6462	0.5529	0.8772	34.4556	1.7370
glycerophosphoethanolamine	sn-Glycero-3-phosphoethanolamine	0.8133	3.1750	0.7354	0.9853	3.6851	0.6615	0.7665	1.9563	1.2811	1.0147	2.8403	0.7979
glycerophosphoinositol*	sn-Glycero-3-phosphoinositol	0.7241	4.7836	0.4751	0.4510	21.5751	0.3096	0.8047	10.9824	0.5422	1.1953	6.5667	1.9765
glycerophosphorylcholine (GPC)	sn-Glycero-3-phosphocholine	0.9741	4.9861	0.5756	0.8811	22.4363	0.7636	0.8284	11.2354	1.3924	1.0259	16.7551	0.9510
glycerophosphoserine*	sn-Glycero-3-phosphoserine	0.1836	2.9292	0.3444	0.1836	22.4361	0.1836	0.1836	2.9775	1	0.7385	5.1106	0.7789
glycine	Glycine	0.6400	1.2076	0.7950	0.8135	2.3655	0.5382	1.2591	3.1202	0.7431	0.9471	5.6000	1.0529
glycylisoleucine	Gly-Ile	1.1334	0.9781	0.9500	1.3281	1.4322	0.6597	1.8261	1.0219	0.9614	0.7940	0.3527	1.3470
glycylleucine	Gly-Leu	1.1151	0.6550	0.9262	1.3302	0.7263	0.7565	1.9679	0.5367	1.0738	1.1155	0.2705	1.3419
glycylvaline	Gly-Val	1.0958	0.8977	0.9245	1.4895	1.0421	0.7952	2.0914	1.1233	0.9579	0.8645	0.3966	1.4906
guanidinoacetate	Guanidoacetic acid	0.8509	2.1751	0.3360	0.6711	1.5629	0.6784	1.1491	2.9666	0.5962	3.8025	3.2724	0.3272
guanine	Guanine	1.1610	0.2247	1.2724	2.7169	0.0876	0.5256	1.8374	0.0855	1.1232	0.8768	0.0700	1.5471
guanosine	Guanosine	0.9649	2.0200	0.9644	1.7557	1.1036	0.4795	0.8352	1.0351	2.6898	1.2980	0.4287	0.7240
histidine betaine (hercynine)*	Hercynine	0.6199	2.0969	0.6199	0.7952	0.8470	0.6199	0.6199	1.1530	0.6199	0.6199	2.9980	0.6199
histidylalanine	His-Ala	0.9843	1.5094	0.8843	1.1539	2.9010	0.5463	1.9165	1.7664	0.6917	0.7146	0.4058	1.0157
homocitrulline	Homocitrulline	0.8877	0.6704	1.1793	0.3557	0.3557	1.1123	2.4109	0.4535	0.3731	0.3557	1.6228	2.6355
homocysteine	Homocysteine	0.4842	0.4842	0.4842	1	1.3172	0.5546	0.7814	1.7419	0.6284	0.4842	2.2502	1.1306
hydroxymethylpyrimidine	4-Amino-5-hydroxymethyl-2-methylpyrimidine	0.8521	0.4236	1.0758	1.1554	0.4558	0.9913	2.0664	0.6408	1.0087	1.4670	0.5973	1.9935
hypotaurine	Hypotaurine	0.4806	2.1424	0.9858	0.5442	11.2197	0.5833	1.8596	13.7789	0.8970	1.0142	16.0389	0.6484
hypoxanthine	Hypoxanthine	0.7819	0.9744	0.8805	0.9875	1.7045	0.7622	1.3689	2.1963	0.6867	1.0125	3.1189	1.3440
imidazole lactate	Imidazolelactic acid	1.2678	0.6307	0.7322	1.3222	1.7664	0.6878	0.6840	2.0861	0.6873	4.1395	1.9695	0.6598
imidazole propionate	Imidazole propanoate	1.5548	0.0953	0.8724	1.1276	0.7876	0.2906	2.2335	0.4866	0.2676	1.4535	2.5231	1.8319
indolin-2-one	Indolin-2-one	1.0854	0.4363	1.4306	1	0.2303	2.8405	11.4812	0.4698	0.4611	1.3816	0.2303	0.7584
inosine	Inosine	0.9688	2.3148	0.9829	0.7867	2.3391	0.9887	0.9516	2.5384	1.6441	0.9515	4.4785	1.0113
isobutyrylcarnitine (C4)	CAR 3:0;2Me	0.6713	3.2234	0.3710	1	5.4273	0.9719	0.4381	8.0927	0.9896	1.1906	3.1550	0.3710
isoleucine	Isoleucine	0.8725	1.1460	0.8369	1.0100	1.3179	0.7066	1.5371	1.3035	0.8320	0.7285	1.0167	0.9900
isovalerylcarnitine (C5)	CAR 4:0;3Me	0.0978	0.5953	0.0978	0.0978	1.5484	0.0978	0.0978	1.9550	0.2205	0.0978	1.4047	0.0978
kynurenine	Kynurenine	0.6206	1.0622	0.8890	0.7592	2.3041	1.3000	1.1090	1.8460	0.9378	0.8194	7.6854	0.9270
leucine	Leucine	0.8662	1.1224	0.8499	0.9814	1.4839	0.6612	1.5746	1.5167	0.8882	0.8447	1.2158	1.0186
leucylalanine	Leu-Ala	1.0251	0.2466	0.9560	1.9317	0.3105	1.0458	1.9644	0.2156	0.7133	1	0.2156	2.1411
leucylglutamine*	Leu-Gln	1.4064	0.2401	1.0100	1.9335	0.2418	0.9900	1.5202	0.2224	0.9276	1.6217	0.0970	1.4751
leucylglycine	Leu-Gly	1.1832	0.2788	1.0501	1.7442	0.4983	0.9499	1.9592	0.3184	0.9052	1.1871	0.1108	1.7162
lysine	Lysine	0.9878	0.8958	1.0122	0.8617	1.9611	0.7188	1.6915	1.5975	0.8783	0.8243	1.5563	1.1003
lysylleucine	Lys-Leu	0.7463	1.2054	0.6550	2.2941	2.0057	0.5592	1.8159	0.7760	0.7946	1.2986	0.1407	2.3266
malonylcarnitine	CAR DC3:0	0.4049	1	0.9867	1.3329	2.5673	1.5513	0.4639	1.7477	0.1896	0.1896	1.0895	0.4529
methionine	Methionine	0.8716	0.9965	0.8923	1.0035	1.2830	0.6511	1.5058	1.4297	0.8614	0.8329	1.2658	1.0301
methionine sulfoxide	Methionine sulfoxide	0.9870	0.9783	1.0387	1.3046	0.9366	0.8308	1.3837	1.0477	1.1196	0.9528	0.8644	1.0130
methylphosphate	Methanolphosphate	0.5364	0.1553	0.7885	2.1110	0.3258	1.2115	1.8177	0.4842	1.5358	3.0024	0.2692	2.4598
mevalonolactone	Mevalonolactone	0.4726	0.5709	0.1840	0.1840	0.4587	1.3584	0.1840	1.0605	0.1840	1.0918	1	1.4458
N1-Methyl-2-pyridone-5-carboxamide	N1-Methyl-2-pyridone-5-carboxamide	1.7490	0.7637	1.1398	0.7194	1.5984	1.5400	0.6892	0.8602	2.1642	3.8989	0.8180	0.3721
N1-Methyl-4-pyridone-3-carboxamide	N1-Methyl-4-pyridone-3-carboxamide	1.3633	1.0233	1.1895	0.9621	0.9767	1.2997	0.4912	0.7005	1.4465	2.4696	0.6509	0.8070
N1-methyladenosine	1-Methyladenosine	0.5493	1.2085	0.4906	0.6894	2.5217	0.7915	0.3636	3.6908	1.5010	1.5521	5.8090	0.1690
N1-methylinosine	1-Methylinosine	1.3052	0.6010	0.6010	1.3772	0.6010	0.6010	0.8089	0.6705	1	1.9873	0.6488	1.0282
N1_N12-diacetylspermine	N1,N12-Diacetylspermine	3.9109	1.1361	1.9355	1.4648	0.5479	0.6571	1.2931	0.2848	0.8639	0.2221	0.4659	2.3983
(N(1) + N(8))-acetylspermidine	Asparagine	0.9181	0.6813	1.0113	1.2472	1.6067	0.8311	0.9887	1.1927	0.6744	0.5223	2.1985	1.4421
N2-acetyl_N6-methyllysine	N2-Acetyl,N6-methyllysine	1.7598	0.6650	1.2884	0.6338	0.3940	0.3940	1.9567	0.3940	0.7116	0.3940	0.3940	2.4848
N6-carboxymethyllysine	N(6)-Carboxymethyl-lysine	0.7585	0.9387	0.8827	1.0613	1.8785	0.5585	1.2081	2.3029	0.6581	0.5972	4.7850	1.3289
N6-methyladenosine	N6-Methyladenosine	0.8401	1.2536	1.3095	0.5467	0.7880	0.7588	1.3888	0.9586	1.0414	0.2384	1.2750	1.2106
N6-methyllysine	N(6)-Methyllysine	1	0.3106	0.9980	0.7103	1.5949	0.3854	4.0070	2.2735	0.3106	0.9074	6.0703	2.4722
N6_N6_N6-trimethyllysine	N-6-Trimethyllysine	0.5530	0.6662	0.9013	0.8189	2.1977	0.4737	1.3594	2.1286	0.7576	1.0987	3.1439	1.2083
N6-succinyladenosine	Succinyladenosine	0.0839	0.0839	0.0839	0.0839	1	0.0839	0.0839	1.6176	0.0839	0.0839	2.7014	0.0861
N-acetyl-1-methylhistidine*	N-Acetyl-3-methylhistidine	0.3265	0.3265	0.5259	1.3166	0.3265	0.3265	0.3265	0.3265	0.3265	4.0666	0.8068	1.1932
N-acetyl-3-methylhistidine*	N-Acetyl-3-methylhistidine	0.8739	0.3288	1.7171	0.3556	0.5118	1.9810	0.3242	1	1.7779	1.4516	0.3242	2.3711
N-acetylarginine	N-Acetylarginine	0.8993	0.5188	1.1454	1.1007	0.7011	0.8610	1.3373	0.7778	0.8091	1.5253	1.9313	3.1868
N-acetylasparagine	N-Acetylasparagine	1.1411	0.9926	1.0916	1.5377	1.0962	1.2650	1.0074	0.5069	0.6429	0.9767	0.4794	0.9425
N-acetyl-cadaverine	N-Acetylcadaverine	0.9543	0.3084	1.0457	0.3521	1.2323	0.6294	2.5751	1.8896	1.5965	0.7111	0.6566	1.4043
N-acetylcysteine	N-Acetylcysteine	0.6762	0.3791	0.5488	1.0960	1.6754	0.9040	0.7856	1.7798	0.7268	2.8838	1.6730	1.5334
N-acetylglucosamine/N-acetylgalactosamine	N-Acetylhexosamine	0.9136	0.8939	1.0864	1.7686	0.8070	0.8363	1.4108	0.7923	1.1111	2.2649	0.7309	1.6434
N-acetylglucosaminylasparagine	Aspartylglycosamine	0.5119	0.5119	0.7029	0.9896	1	0.7518	1.7592	0.8060	1.0617	1.1794	1.8134	1.6079
N-acetylglutamate	N-Acetylglutamic acid	0.7255	0.4765	1.0091	1.6524	0.8029	1.0927	1.3972	0.6719	0.5747	1.1273	0.9909	2.7871
N-acetylglutamine	N-Acetylglutamine	0.6842	0.5611	1.0547	1.4798	0.7972	1.0606	0.9453	0.7323	0.6299	2.0687	1.1869	1.4263
N-acetylhistamine	N-Acetylhistamine	1	2.4154	0.6846	0.6083	0.9347	0.6083	22.1578	0.6083	3.8367	0.6083	0.7989	1.0863
N-acetylhistidine	N-Acetylhistidine	0.8690	0.6938	1.0831	1.5939	0.8639	1.0849	1.1936	0.5490	0.5244	1.7128	0.9169	2.6410
N-acetyl-isoputreanine	N-Acetylisoputreanine	0.5087	0.5747	0.8487	0.5087	1.8740	1.2004	0.6886	1.3218	1	0.8331	2.3646	1.7679
N-acetylmethionine sulfoxide	N-Acetylmethionine sulfoxide	1.0041	0.4721	0.9959	1.1745	1.2052	1.2297	0.8428	0.7831	0.5721	1.0989	0.7642	1.5916
N-acetylneuraminate	N-Acetylneuraminic acid	0.8086	0.7051	0.7858	2.1479	1.0627	0.6271	1.1001	1.2473	0.8571	1.8171	0.9373	1.4396
N-acetylproline	N-Acetyl-proline	0.7238	2.5519	1.1588	0.9784	1.3560	1.0216	0.6981	0.9362	0.6422	0.6594	1.3813	2.7794
N-acetylputrescine	N-Acetylputrescine	0.8531	0.4834	0.5740	1.1366	1.8446	0.8307	0.8734	2.1114	0.6529	1.1266	6.0590	4.5375
N-acetylserine	N-Acetylserine	0.8375	1.0347	0.7326	0.8472	2.4230	0.7373	1.4166	2.3347	0.8241	0.9807	2.5150	1.0193
N-alpha-acetylornithine	N-Acetylornithine	0.9146	0.7980	0.9096	1.2078	0.7711	1.5864	1.1046	0.6488	1.3906	0.6495	1.0854	1.4894
N-carbamoylputrescine	N-Carbamoylputrescine	0.5001	0.4425	0.8644	1.1356	0.3466	0.5119	5.0650	1.8294	1.9409	1.7646	0.5490	2.5875
N-glycolylneuraminate	N-Glycoloylneuraminic acid	0.4159	1.9141	0.2631	1.6375	4.9919	0.1904	0.3670	8.7712	0.3990	1.4781	10.3168	0.5219
nicotianamine	(R,S,S)-Nicotianamine	0.4378	1.0015	0.4378	0.4378	1.6684	0.8807	1.2837	1.5271	0.9985	1.2457	0.8742	0.4748
nicotinamide	Niacinamide	1.2820	14.5923	1.0648	0.8861	19.4264	2.8839	0.9352	0.8538	0.8722	0.5869	0.5944	1.3722
nicotinamide N-oxide	Nicotinamide N-oxide	0.4909	0.4909	0.4909	0.9406	1.0594	0.4909	0.4909	0.5409	0.4909	6.1537	1.5818	0.4909
nicotinamide riboside	Nicotinamide riboside	1.1771	0.5239	1.0151	1.7495	0.7824	1.2490	1.2967	0.3983	0.8449	0.9849	0.6312	1.4241
nicotinate	Nicotinic acid	0.7243	0.7661	1.0073	0.8999	0.9927	0.7674	1.4400	1.6054	0.7357	1.0282	2.9482	1.5807
nicotinate ribonucleoside	D-Ribosylnicotinate	1.2395	0.6539	1.5706	0.6396	0.5422	0.9116	3.1778	1.0382	0.9618	1.2739	0.8397	3.7389
N-methylalanine	N-Methylalanine	1.2516	0.9026	0.8987	2.2754	0.6942	1.2440	0.9835	0.5924	1.2657	1.0165	0.5192	1.6544
N-methyl-GABA	4-(Methylamino)butyric acid	0.6555	1.4204	0.8285	0.5858	0.4364	1.1967	0.4364	1.1715	0.4364	0.6083	1.8320	1.9066
N-methylhydroxyproline**	N-Methyl-4-hydroxyproline	0.2368	1.2546	0.2368	0.7008	2.2704	0.2368	0.3761	3.3802	0.3461	1	3.7664	0.2368
N-methylproline	N-Methyl-proline	0.9729	2.0476	1.2730	1.5244	0.8633	1.3634	1.0271	0.5981	0.6679	0.5408	0.3821	1.6756
N-monomethylarginine	Targinine	0.3681	0.9821	0.3681	0.4031	3.6445	0.3681	1.0179	5.9243	0.3681	0.8674	7.4632	0.3681
N_N-dimethyl-5-aminovalerate	N,N-Dimethyl-5-aminovaleric acid	0.7973	0.6325	1.5225	1.2592	1.0072	1.5192	0.6916	0.8716	0.9928	4.3761	0.6909	2.5720
N_N-dimethylalanine	N,N-Dimethylalanine	0.6610	1	1.9399	1.2977	0.8329	1.2680	0.3905	0.2933	1.7568	0.8435	0.2933	1.0441
N_N_N-trimethyl-5-aminovalerate	N,N,N-trimethyl-5-aminovalerate	0.7871	0.8556	1.0408	0.9386	1.7528	0.7022	1.1558	2.1092	0.5984	0.9592	2.7365	1.4653
N_N_N-trimethyl-alanylproline betaine (TMAP)	N,N,N-Trimethyl-alanylproline betaine	0.2709	1.2148	0.2182	0.2182	3.9267	0.2917	1	3.6564	0.2606	2.8007	6.1131	0.6330
ornithine	Ornithine	0.8624	0.6547	0.7082	0.7790	2.3907	0.8048	1.3267	3.2232	1.1376	0.6238	5.9039	1.4867
o-Tyrosine	o-Tyrosine	0.5228	1.3400	1.1190	0.7182	0.5228	0.8296	1.2069	0.5228	0.5228	0.6763	1	1.0789
pantetheine	Pantetheine	0.7998	0.3797	0.9604	1.9725	1.4235	1.0396	3.2781	2.2073	0.4146	0.8248	0.4458	2.2748
pantothenate	Pantothenic acid	0.7267	0.4838	0.8559	1.0581	0.9419	0.4203	1.9744	1.2677	0.5019	1.1300	1.9966	1.5545
phenylalanine	Phenylalanine	0.9164	0.9377	0.8785	1.0623	1.2746	0.6865	1.6043	1.3272	0.9319	0.8817	1.1749	1.0867
phenylalanylalanine	Phe-Ala	0.9843	0.8812	0.8622	1.5508	1.9651	1.0157	2.0063	1.1692	0.8327	0.9795	0.2960	1.4748
phenylalanylglycine	Phe-Gly	1.2130	0.7262	1.1011	1.5164	0.9011	0.9020	2.3175	0.7023	0.9532	1.0468	0.5298	1.3757
phosphate	Phosphoric acid	0.3851	0.0947	0.4380	1.5099	0.4966	0.9606	1.0394	1.0554	0.5773	1.3311	1.7773	1.5268
picolinate	Picolinic acid	1.1817	0.9761	0.8954	1.0569	1.0513	1.5585	0.9066	0.5651	1.0239	0.6070	0.6565	1.3689
pipecolate	Pipecolic acid	0.9944	0.7632	1.0081	0.9193	1.0056	0.8957	1.6622	0.9125	0.8200	1.6958	2.4472	1.8249
proline	Proline	0.8384	0.9553	0.7828	1.0447	1.4403	0.6273	1.2424	2.0489	0.8028	0.9020	2.0442	1.1165
prolylglycine	Pro-Gly	0.8049	2.8454	0.5883	0.8305	1.6113	0.5198	0.8285	2.9308	2.6694	1.0467	1.7271	0.9533
propionylcarnitine (C3)	CAR 3:0	0.5234	10.6543	0.3360	1.1997	5.2039	0.5252	0.4214	8.4606	0.9173	1.0827	4.1186	0.1036
pterin	Pterin	1.4078	0.3633	0.9954	1.0046	0.1457	1.3191	1.8821	0.1153	0.1763	0.9621	1.0091	1.2003
putrescine	Putrescine	0.6243	0.3377	0.4543	3.3486	3.5276	1.7875	0.2942	1.4655	0.2942	0.4095	2.2748	1
pyridoxal	Pyridoxal	0.8787	0.8571	0.8632	1.1282	0.5512	0.9560	1.1361	0.8677	1.0440	1.5472	1.3329	2.0103
pyridoxamine	Pyridoxamine	1.3192	0.6019	1.1998	1.1973	0.4553	1.0501	1.5660	0.6154	0.7994	0.9499	0.7585	1.3549
pyroglutamine*	Pyroglutamine	1.8443	0.8918	1.6839	0.3802	0.9281	1.7333	1.5692	0.3802	0.5696	1	0.6568	1.5335
quinolinate	Quinolinic acid	0.7001	0.2308	0.4674	1.3494	0.9790	1.0676	0.4502	1.2021	0.5905	1.7414	1.0210	2.6946
(R)-3-hydroxybutyrylcarnitine	CAR 4:0;3OH	0.5278	1.9628	0.4943	0.4943	5.3830	0.4943	1	9.4843	0.4943	0.5280	17.4807	0.5422
riboflavin (Vitamin B2)	Riboflavin	1.4762	0.6962	1.4404	1.4188	0.4012	0.9274	2.1169	0.4742	0.8957	1.0698	0.9302	2.1398
S-1-pyrroline-5-carboxylate	1-Pyrroline-5-carboxylic acid	0.9748	1.3705	0.7052	0.5818	1.6697	0.8555	0.9302	1.2583	1.0252	0.7522	1.7152	1.1039
(S)-3-hydroxybutyrylcarnitine	CAR 4:0;3OH	0.7489	4.1358	0.9720	1.0280	7.8223	0.8729	0.9113	11.0944	0.7385	1.3065	16.3468	0.5856
sarcosine	Sarcosine	1.3634	0.9397	0.8364	0.5491	1.6379	1.0603	0.6540	2.5335	1.7904	0.8148	0.2778	2.5742
serine	Serine	0.7267	1.1396	0.7859	0.9682	1.6145	0.6008	1.3058	2.2162	0.8608	0.9133	2.6142	1.0318
serotonin	Serotonin	1.1645	0.1132	1.0629	1.4406	0.8229	1.3275	0.7635	0.1132	0.3966	0.9371	0.1132	1.3557
S-methylcysteine	Methylcysteine	0.2465	0.2465	0.2465	0.2465	1.0209	0.2465	0.2465	0.9791	0.2465	0.2465	3.2422	0.2465
S-methylmethionine	S-Methylmethionine	0.2742	0.2742	0.2742	0.2742	0.2742	0.8234	3.0432	2.3158	1	0.2742	0.2742	0.2742
spermidine	Spermidine	0.9935	0.7698	0.9627	1.0065	0.4721	2.4467	3.9282	0.4535	1.8418	1.8062	0.5817	4.5669
stachydrine	Stachydrine	0.3211	0.8453	0.8867	0.8104	0.4860	0.8296	1.1746	1.1133	1.6418	2.2604	2.2213	2.7752
succinylcarnitine (C4-DC)	CAR DC4:0	0.3837	0.9964	1.1392	0.3837	2.2982	1	0.9504	2.8036	1.7420	0.7364	2.6586	0.5080
taurine	Taurine	0.4299	1.2911	0.9785	0.3267	2.8216	0.7304	0.7722	3.4341	1.7128	1.0215	5.7986	0.4460
thiamin monophosphate	Thiamine monophosphate	0.5917	0.5917	0.5917	0.5917	1	0.5917	0.6592	1.5758	0.5917	0.5917	5.3369	0.5917
thiamin (Vitamin B1)	Thiamine	0.9693	0.6026	1.2105	1.9071	1.0307	0.6915	1.3561	0.9281	0.5847	1.5754	0.9022	2.3614
thioproline	Thioproline	0.9404	0.6968	0.6695	0.6140	5.2180	1.0596	2.1216	4.1713	0.3848	0.5960	4.1604	1.5390
threonine	Threonine	0.8084	1.3476	0.7789	1.0233	1.8485	0.6432	1.5682	2.2984	0.7949	0.8618	2.2408	0.9767
trans-4-hydroxyproline	trans-4-Hydroxyproline	0.9247	3.6379	0.9377	1.0047	8.6944	0.8840	0.5126	6.7088	0.8294	1.3476	18.7525	0.9953
trans-urocanate	Urocanic acid	1.1216	0.5885	1.2123	1.8191	0.5079	0.9897	1.2145	0.5316	0.5305	1.0103	0.3802	1.1365
trigonelline (N^-methylnicotinate)	Trigonelline	0.3717	0.3682	0.3550	1.9289	0.9753	1.0247	1.1139	1.9220	0.5289	3.7871	1.1691	0.8135
trimethylamine N-oxide	Trimethylamine N-oxide	0.6313	2.7360	0.5046	0.8913	1.3853	0.4803	1.0490	1.1648	0.3166	4.3417	3.1961	0.9510
tryptophan	Tryptophan	0.9731	0.9648	1.0068	0.9932	1.1087	0.7312	1.7040	1.0701	1.0680	0.8563	0.9181	1.0607
tryptophylglycine	Trp-Gly	1.0790	0.6563	0.7067	1.7938	0.8958	1.0035	1.8615	0.3282	0.9529	1	0.3282	1.4622
tyramine	Tyramine	1.3812	0.7389	0.7272	1.1816	0.8184	1.4559	0.3752	0.3752	0.3752	0.3752	0.3752	1.2226
tyrosine	Tyrosine	0.9253	0.8996	0.8099	1.0747	1.5306	0.7112	1.9132	1.3466	0.8215	0.8274	1.2488	1.3298
uracil	Uracil	0.5040	0.7700	0.5601	1.0813	1.4401	0.4005	1.1509	2.0631	0.6006	0.9187	3.1719	1.2895
uridine 5^-monophosphate (UMP)	UMP	0.3221	0.3221	0.3221	4.0779	0.3221	0.3221	1.6165	0.3221	1	1.1961	0.7285	0.3865
valerylcarnitine (C5)	CAR 5:0	0.3392	1.1922	0.3392	0.3392	2.5273	0.3392	0.3392	1.4620	0.8078	0.3392	0.5662	0.3392
valine	Valine	0.8490	1.2056	0.9406	0.9969	1.4524	0.6899	1.4813	1.5484	0.9767	0.8072	1.3701	1.0031
valylglutamine	Val-Gln	1.1851	0.1346	1.0131	1.4709	0.7532	1.4645	1.5571	0.3520	0.8747	1.6345	0.1360	0.9869
valylglycine	Val-Gly	1.2074	0.5570	1.0577	1.5270	0.9134	0.8920	2.0980	0.7162	0.9423	1.3230	0.5102	1.4735
valylleucine	Val-Leu	1.0032	0.1062	1	1.8286	0.1123	0.5948	1.3020	0.1512	0.8032	1.1101	0.1062	1.9435
xanthine	Xanthine	0.5151	1.0133	0.6456	1.0344	2.0960	0.4851	0.9867	3.1823	0.5514	0.8001	5.5463	1.1881
xanthurenate	Xanthurenic acid	1.0125	1.1202	0.9875	0.9294	1.3661	1.8302	0.3621	0.7470	1.1699	2.1428	0.3641	0.8551