Metabolite_name	RefMet_name	140603actsa06_1	140603actsa25_1	140603actsa27_1	140603actsa30_1	140603actsa03_1	140603actsa07_1	140603actsa17_1	140603actsa35_1	140603actsa18_1	140603actsa20_1	140603actsa29_1	140603actsa33_1	140603actsa13_1	140603actsa16_1	140603actsa32_3	140603actsa38_1	140603actsa10_1	140603actsa24_1	140603actsa31_1	140603actsa40_1	140603actsa02_1	140603actsa05_1	140603actsa11_1	140603actsa22_1	140603actsa19_1	140603actsa26_1	140603actsa36_1	140603actsa37_1	140603actsa01_1	140603actsa08_1	140603actsa09_1	140603actsa14_1	140603actsa12_1	140603actsa23_1	140603actsa34_1	140603actsa39_1	140603actsa04_1	140603actsa15_1	140603actsa21_1	140603actsa28_1
Factors	-	Organ:Duodenum | Treatment:Aminoguanidine 10 mg/kg s.c.	Organ:Duodenum | Treatment:Aminoguanidine 10 mg/kg s.c.	Organ:Duodenum | Treatment:Aminoguanidine 10 mg/kg s.c.	Organ:Duodenum | Treatment:Aminoguanidine 10 mg/kg s.c.	Organ:Duodenum | Treatment:Metformin 100mg/kg (oral administration)	Organ:Duodenum | Treatment:Metformin 100mg/kg (oral administration)	Organ:Duodenum | Treatment:Metformin 100mg/kg (oral administration)	Organ:Duodenum | Treatment:Metformin 100mg/kg (oral administration)	Organ:Duodenum | Treatment:Metformin 25mg/kg (oral administration)	Organ:Duodenum | Treatment:Metformin 25mg/kg (oral administration)	Organ:Duodenum | Treatment:Metformin 25mg/kg (oral administration)	Organ:Duodenum | Treatment:Metformin 25mg/kg (oral administration)	Organ:Duodenum | Treatment:Metformin 50mg/kg (oral administration)	Organ:Duodenum | Treatment:Metformin 50mg/kg (oral administration)	Organ:Duodenum | Treatment:Metformin 50mg/kg (oral administration)	Organ:Duodenum | Treatment:Metformin 50mg/kg (oral administration)	Organ:Duodenum | Treatment:Saline (oral administration)	Organ:Duodenum | Treatment:Saline (oral administration)	Organ:Duodenum | Treatment:Saline (oral administration)	Organ:Duodenum | Treatment:Saline (oral administration)	Organ:Ileum | Treatment:Aminoguanidine 10 mg/kg s.c.	Organ:Ileum | Treatment:Aminoguanidine 10 mg/kg s.c.	Organ:Ileum | Treatment:Aminoguanidine 10 mg/kg s.c.	Organ:Ileum | Treatment:Aminoguanidine 10 mg/kg s.c.	Organ:Ileum | Treatment:Metformin 100mg/kg (oral administration)	Organ:Ileum | Treatment:Metformin 100mg/kg (oral administration)	Organ:Ileum | Treatment:Metformin 100mg/kg (oral administration)	Organ:Ileum | Treatment:Metformin 100mg/kg (oral administration)	Organ:Ileum | Treatment:Metformin 25mg/kg (oral administration)	Organ:Ileum | Treatment:Metformin 25mg/kg (oral administration)	Organ:Ileum | Treatment:Metformin 25mg/kg (oral administration)	Organ:Ileum | Treatment:Metformin 25mg/kg (oral administration)	Organ:Ileum | Treatment:Metformin 50mg/kg (oral administration)	Organ:Ileum | Treatment:Metformin 50mg/kg (oral administration)	Organ:Ileum | Treatment:Metformin 50mg/kg (oral administration)	Organ:Ileum | Treatment:Metformin 50mg/kg (oral administration)	Organ:Ileum | Treatment:Saline (oral administration)	Organ:Ileum | Treatment:Saline (oral administration)	Organ:Ileum | Treatment:Saline (oral administration)	Organ:Ileum | Treatment:Saline (oral administration)
1_5-anhydroglucitol	1,5-Anhydrosorbitol	483	604	669	532	1055	361	603	624	905	678	850	499	892	659	1055	1009	540	1041	379	1400	658	647	771	482	563	866	620	576	611	354	597	916	1125	986	1045	1224	722	831	1394	636
1-monopalmitin	MG 16:0/0:0/0:0	1333	6046	1805	534	597	2946	741	18683	702	857	1514	1497	469	1110	2941	89	34880	569	2746	583	1722	2868	1625	1285	550	1108	12726	1224	277	1700	1932	1140	1328	589	1668	394	747	568	366	359
2_5-dihydroxypyrazine NIST	2,5-Dihydroxypyrazine	356	277	386	580	177	75	251	74	590	116	113	278	734	237	759	532	44	539	198	61	374	254	150	280	612	577	436	364	411	307	196	718	477	671	984	906	265	377	620	307
2-deoxytetronic acid NIST	3,4-Dihydroxybutyric acid	151	116	136	78	150	85	176	109	189	167	191	164	75	142	216	182	121	128	162	153	107	122	195	110	102	154	97	109	144	147	84	240	162	180	209	218	155	142	203	158
2-hydroxybutanoic acid	2-Hydroxybutyric acid	505	521	345	508	755	439	757	907	609	466	443	783	1057	661	1712	855	616	1075	1042	865	392	911	664	578	1128	831	306	491	556	765	327	481	805	779	1094	887	1015	565	1977	804
2-hydroxyglutaric acid	2-Hydroxyglutaric acid	29	20	40	28	58	37	27	23	68	70	53	26	9	18	51	26	41	45	42	103	48	20	52	30	47	28	24	9	26	37	27	56	27	29	24	67	50	23	42	79
2-ketoisocaproic acid	Ketoleucine	126	171	131	165	170	90	4413	2807	94	86	81	1756	122	145	158	142	53	139	130	227	93	159	206	108	175	136	970	117	129	109	102	152	199	200	154	156	135	95	217	103
2-monopalmitin	MG 0:0/16:0/0:0	14091	31215	11182	3349	2556	18711	3786	86204	2272	9689	17657	6399	3081	3787	38135	3452	168525	2928	12078	3506	8034	12723	3118	6280	3850	3933	30321	2865	758	6531	8095	2754	4952	2521	6414	3953	1243	2571	1511	1758
3-hydroxybutyric acid	3-Hydroxybutyric acid	15732	13236	6738	19945	20375	9431	22446	15814	13134	12957	13739	16874	23155	18793	14120	22451	2551	8878	20995	20766	8307	13339	17619	10208	25533	27948	6196	4981	9793	13416	8204	14484	28869	17179	21233	18028	1969	10423	24617	14399
4-hydroxybutyric acid	4-Hydroxybutyric acid	103	231	100	115	73	61	33	169	107	82	96	73	146	126	206	125	128	105	183	112	67	53	212	41	140	122	49	107	110	71	64	136	140	134	217	163	151	90	223	176
5-aminovaleric acid	5-Aminopentanoic acid	623	304	475	553	281	676	514	525	300	1090	634	236	436	253	191	440	146	332	222	338	398	260	274	288	413	289	352	352	406	391	454	317	331	385	747	283	259	411	146	258
5-methoxytryptamine	5-Methoxytryptamine	164	74	129	92	151	135	102	133	326	165	308	97	154	162	167	218	146	59	314	159	229	70	505	91	198	156	334	234	113	204	168	298	129	319	426	112	259	197	348	83
6-deoxyglucose	Quinovose	39	226	91	462	182	76	98	141	106	134	128	86	173	187	481	157	113	2253	644	186	124	255	764	67	413	227	199	238	347	94	75	214	2073	562	711	486	833	123	2570	1194
adenosine	Adenosine	37	35	49	41	60	19	36	56	83	51	25	75	58	40	39	51	32	77	70	46	24	49	102	73	36	37	26	36	45	30	37	66	83	30	27	45	38	40	188	56
adenosine-5-monophosphate	AMP	89	73	45	71	96	76	75	82	133	123	116	47	108	133	169	187	138	71	83	71	47	63	125	43	141	46	51	52	68	67	63	131	72	59	75	114	114	46	99	61
alanine	Alanine	228339	200823	220978	235830	236119	222110	245493	191089	233396	183346	202162	234538	235634	235217	219519	228360	122760	232449	202028	212303	273063	221713	223607	263905	250318	237327	182096	226181	295861	245239	229399	275157	235291	248162	228330	238707	242447	245280	273329	265796
alanine-alanine	Ala-Ala	4471	1426	1778	2849	862	4107	2047	4228	921	9401	6891	1475	1539	976	5537	2770	2595	1349	713	3693	1693	1240	717	1649	1426	738	1369	1468	1248	1558	1296	1290	765	1024	1359	727	1124	1297	1039	989
allantoic acid	Allantoic acid	136	61	66	113	98	58	80	41	74	28	55	65	98	67	60	45	63	42	63	48	155	125	75	133	242	112	61	104	123	217	138	173	160	229	285	73	232	92	56	224
alpha-ketoglutarate	2-Oxoglutaric acid	38	29	33	32	39	50	54	62	65	63	96	32	52	26	122	53	46	31	56	117	50	41	78	39	115	29	24	54	36	46	42	53	39	87	65	37	33	42	55	62
aminomalonate	Aminomalonic acid	2819	2281	2983	2481	2782	1602	2550	3039	5125	2403	3030	3392	2727	3337	763	3237	2370	3984	2682	7315	2344	2359	3312	2615	2475	3233	2082	2731	3034	2320	2382	3350	2832	2996	3571	3440	3689	4229	3431	1365
arachidic acid	Arachidic acid	1934	4264	2269	1600	1335	2770	1132	7945	2032	2984	3125	1992	1688	1646	4654	1603	16158	1453	2362	2887	1372	2646	1780	1996	1472	1782	5031	1547	739	1771	1482	1228	1696	1369	2106	2244	1063	1113	1595	1192
arachidonic acid	Arachidonic acid	44505	49152	48878	52025	59235	33821	46467	62117	66872	53477	49379	50772	62990	54958	66680	61405	48682	56552	65364	74166	34589	74969	114414	50007	58521	42227	31080	24787	33409	46344	41082	60444	68028	50349	67113	83136	70065	33585	48698	21439
ascorbic acid	Vitamin C	18	43	170	238	707	23	3945	18	143	26	34	94	5953	55	16	142	38	138	43	46	177	820	748	418	37	1114	1212	31	62	279	231	1025	19	797	31	1578	190	317	54	89
asparagine	Asparagine	6588	3527	4860	5767	3639	7064	6654	3626	3391	8443	3875	4436	4796	4334	9009	5118	965	4320	2194	7327	5122	3577	2573	5129	3700	2612	3451	4047	4071	4600	4815	4235	3099	3848	4076	3473	3232	4720	2000	3084
aspartic acid	Aspartic acid	49752	45399	54337	59333	52815	28344	44469	38163	45633	42362	45344	45693	45779	48104	48044	50636	19924	57898	43982	46486	59423	40565	43039	46575	60095	55551	50125	65163	74253	52913	51252	62989	67461	60553	63678	55222	54792	66830	50435	44817
behenic acid	Behenic acid	556	983	709	482	516	655	458	1519	754	661	561	744	758	702	1302	659	2784	563	705	697	403	816	739	706	590	566	1252	458	308	524	390	491	759	446	811	829	415	406	629	324
benzoic acid	Benzoic acid	601	614	797	845	714	589	774	692	953	596	680	988	654	1049	387	632	596	808	713	1097	690	572	888	913	837	1017	517	714	760	667	487	478	1208	756	585	795	725	703	1224	1447
beta-alanine	beta-Alanine	548	893	818	858	952	581	599	654	930	965	905	582	974	850	820	1299	376	726	789	1573	613	452	854	486	596	685	715	806	840	388	421	942	848	928	1065	1281	501	984	1262	414
beta-glutamic acid	Isoglutamic acid	1203	102	71	1467	84	31	71	48	77	88	43	77	85	48	55	57	24	1334	40	41	95	69	1128	48	388	169	56	73	133	465	886	177	165	43	326	47	250	117	36	120
beta-glycerolphosphate	sn-Glycero-2-phosphate	37	116	69	89	119	55	70	145	113	106	173	124	117	86	130	117	122	55	105	105	58	110	214	71	110	119	46	63	90	72	65	106	124	90	154	106	92	70	58	101
bisphosphoglycerol NIST		58	91	71	64	57	49	82	67	65	51	83	91	214	77	397	152	67	36	161	97	43	113	164	47	100	89	21	29	45	54	36	81	135	41	174	305	74	70	77	189
butyrolactam NIST	2-Pyrrolidinone	76	161	59	142	188	410	62	140	115	73	83	92	113	137	53	103	75	175	112	161	68	98	153	78	345	159	97	131	168	99	74	196	229	210	327	138	115	125	222	171
capric acid	Capric acid	289	541	673	89	95	524	62	2067	104	167	142	169	147	117	1021	104	6024	89	191	146	547	127	128	127	223	426	2056	1751	74	443	735	133	282	160	881	126	156	259	164	137
cholestan-3-ol	Epi-cholestanol	70	78	87	53	125	80	122	92	112	105	63	89	85	112	39	93	86	87	98	116	99	83	260	59	126	48	77	58	86	127	99	89	119	49	141	105	99	127	55	73
cholesterol	Cholesterol	47448	51576	49514	44788	80666	47625	66653	62286	86419	50080	36949	64024	65689	80051	62545	77380	62411	49999	87006	76694	50503	71964	82295	44412	66649	47383	56641	51314	48530	62513	49660	78034	69718	43947	71094	92617	63953	77551	57570	23732
cis-gondoic acid	cis-Gondoic acid	100	602	111	153	34	207	39	1280	97	128	188	133	98	70	601	71	3396	72	122	139	135	203	111	80	139	178	1633	220	78	140	200	119	170	102	228	174	111	64	69	67
citric acid	Citric acid	1152	262	870	812	315	1060	944	4107	2851	3514	5456	277	475	1553	977	1196	3086	2417	1798	10229	1777	872	5784	1073	4737	4735	3760	3426	4115	2284	2524	5300	5311	6203	5776	1616	5635	5057	3856	5437
citrulline	Citrulline	563	268	581	574	170	407	418	416	256	590	504	298	266	345	370	293	329	304	192	283	328	144	194	809	432	263	442	251	275	309	242	309	245	481	427	107	258	436	265	522
conduritol-beta-epoxide	Conduritol epoxide	42	85	48	115	101	75	80	70	94	68	97	95	96	37	135	73	62	136	106	44	123	147	174	77	244	581	417	505	458	157	89	208	836	654	433	248	331	688	84	274
creatinine	Creatinine	29376	62177	36478	48135	49714	28013	38710	29734	37077	36252	34511	27775	56150	29842	60478	48420	18653	73509	49890	28186	24744	46745	57590	29871	41068	44149	24885	25752	31238	24442	35614	41250	51864	53825	50218	55636	41392	39368	50067	44277
cysteine	Cysteine	6474	7758	14195	7980	13628	11385	13388	7518	12604	12989	9991	6913	12078	7900	12132	11483	3739	11835	5783	16335	8920	8178	7864	10618	5745	7250	6030	8369	6169	9138	10607	7450	6115	8158	6633	10849	8964	13680	4170	4059
cysteine-glycine	Cys-Gly	489	164	121	216	77	129	67	233	77	128	337	77	110	83	486	203	298	71	126	68	80	108	70	102	126	83	196	95	47	104	94	82	96	164	97	85	40	54	68	68
cystine	Cystine	471	608	2135	550	256	1761	1363	1164	2009	1831	465	1482	297	1410	1112	801	1460	584	219	2505	940	972	357	1957	324	533	505	424	172	1129	2087	691	154	606	492	469	929	330	144	585
cytidine	Cytidine	489	138	100	297	179	583	200	330	195	1007	444	63	290	376	504	311	516	96	158	553	25	84	46	80	53	31	32	29	39	38	46	79	32	38	29	147	52	23	146	38
cytidine-5-monophosphate NIST	CMP	82	71	66	57	69	96	78	162	47	253	150	48	53	67	158	142	227	57	112	136	32	48	57	20	32	35	38	28	30	35	21	73	30	28	27	58	69	32	54	85
cytosin	Cytosine	62	85	62	104	27	64	91	124	69	165	259	92	85	68	62	90	81	64	68	269	38	35	42	81	29	42	24	32	58	29	27	95	42	28	44	66	53	50	119	80
dehydroascorbic acid	Dehydroascorbic acid	1904	540	6751	3084	10994	3033	7518	2332	15504	3696	3767	7719	4805	4918	1841	13186	1522	2183	5394	9021	12941	2160	1609	10750	1783	4041	2903	4119	5904	10078	13497	7261	1725	9842	5208	3410	8076	12016	1202	2546
dihydroxyacetone	Dihydroxyacetone	322	401	411	297	676	622	716	232	461	613	345	774	486	556	4034	506	163	457	439	793	470	374	481	659	202	163	168	331	128	624	659	399	333	295	216	607	501	958	266	188
doconexent NIST	DHA	1630	2083	933	1926	1904	1618	1158	3033	2181	2128	1635	1953	2701	1538	2078	1722	5479	1537	1961	3772	1293	1973	2924	1159	1794	1913	3422	1380	1229	1429	1190	2310	2104	1999	2434	2128	2285	1140	1726	522
erythronic acid lactone	Erythrono-1,4-lactone	35	50	62	48	76	28	49	32	74	28	31	64	49	91	24	64	35	53	62	48	43	85	98	46	43	107	29	73	70	43	57	93	62	64	104	65	69	39	121	143
erythrose	Erythrose	43	62	158	46	237	138	176	47	260	124	85	214	92	93	65	115	32	91	58	311	268	103	177	205	34	53	74	75	58	254	262	66	25	48	24	95	93	196	50	49
ethanolamine	Ethanolamine	91092	98499	44046	54619	129075	76796	51870	94581	134264	92170	93435	116937	106964	116141	86408	115691	46867	111756	124418	67452	102598	111329	145801	108364	83027	102703	67049	80157	114506	50853	98794	39692	64497	42272	105503	94472	126868	46015	144441	92788
ethanol phosphate NIST	Ethylphosphate	162	236	154	148	652	84	295	91	343	254	45	412	1601	717	496	791	409	3546	573	2878	551	181	2302	249	123	2638	317	145	2305	230	422	107	2325	3864	2406	2381	1972	599	3150	1060
fructose	Fructose	1494	2106	752	3104	2309	1118	1228	2170	1234	1549	771	1866	1834	1394	3422	1642	1170	3757	2251	1169	1114	3927	3587	1311	3294	2162	1951	1919	1582	1228	1601	3661	3854	2929	1708	3959	2535	1929	3464	3595
fructose-1-phosphate	Fructose 1-phosphate	29	14	21	27	39	25	35	175	29	125	141	39	38	52	134	37	187	22	30	160	49	27	390	37	273	444	13	52	181	135	88	255	95	188	415	42	29	6	40	63
fructose-6-phosphate	Fructose 6-phosphate	25	34	30	33	33	37	26	394	34	206	161	58	28	33	258	65	373	33	22	205	71	38	570	25	553	530	110	154	345	307	174	592	391	813	1559	69	64	101	61	114
fucose	Fucose	405	360	393	468	411	376	324	755	628	912	676	303	499	530	681	655	634	610	492	1368	281	398	684	330	594	324	320	388	572	313	377	482	596	522	708	601	572	384	629	450
fumaric acid	Fumaric acid	3066	2250	3327	3919	3682	2340	3617	3396	4360	3903	4961	3494	4577	3485	4979	4201	1583	3492	3644	4866	2372	2923	4509	2412	4608	3492	1897	2307	3454	2795	2128	5420	3732	3579	5384	5887	3022	3405	4700	2895
gluconic acid	Gluconic acid	33	35	42	10	68	25	29	203	27	31	35	48	51	50	312	38	31	60	40	57	44	93	69	53	234	56	40	22	59	47	50	122	51	134	132	237	26	55	80	71
glucose	Glucose	5291	4645	5605	10596	8095	6557	12197	11736	9650	6352	13441	5764	8451	8363	14284	7480	10402	17017	10827	19168	7561	9275	24875	6154	16644	30166	12487	18334	14281	11519	10669	13509	24651	27173	19358	14001	17026	16402	16879	23609
glucose-6-phosphate	Glucose 6-phosphate	11	19	21	28	35	13	22	746	39	260	132	64	22	31	406	64	528	34	26	353	61	42	1026	23	992	1045	164	269	627	526	252	1096	709	1696	2916	63	74	105	70	128
glutamic acid	Glutamic acid	74761	80270	83133	84936	81887	62534	70026	72608	100478	57707	72568	88702	76219	84945	62431	77768	52974	83557	74337	108297	74768	71711	102405	81369	100916	89284	64941	80627	96838	87733	77372	97424	95447	91609	78626	83680	94952	97363	81825	76123
glutamine	Glutamine	11508	5710	10274	12345	6616	11695	12168	3416	6819	11547	8358	4378	7344	11564	9019	5730	2265	9774	6352	2694	11120	7377	6290	11432	11018	8339	6320	7819	11275	11291	10250	10681	8639	12666	8198	6289	9647	12885	8121	11449
glyceric acid	Glyceric acid	3473	5774	1489	5210	3887	2002	1933	6097	3150	3844	4537	2186	4666	3549	6558	4571	2759	7982	7075	5677	1054	5675	4560	834	9716	3660	2689	3393	3366	1647	1875	7060	6966	6105	4621	8046	4437	2900	8803	5116
glycerol	Glycerol	68215	80197	67895	66307	90736	65675	66660	10499	47146	54087	81102	88773	46034	91412	26599	66122	29161	56781	87858	95380	76725	83311	65552	79536	83159	83654	37205	69829	75307	80923	67575	92442	81972	78370	45143	60558	100680	69699	105657	84415
glycerol-3-galactoside	Galactosylglycerol	160	86	185	103	138	120	126	370	253	229	480	106	156	168	283	134	374	124	161	517	204	136	341	112	266	392	538	376	249	255	176	289	467	538	315	165	273	275	334	310
glycerol-alpha-phosphate	sn-Glycero-3-phosphate	5121	11368	1651	10646	3097	3328	4978	9049	7042	8548	11254	9601	14204	7586	15297	12599	8070	3949	14404	6782	1181	7379	9718	2635	5015	6589	1337	2155	1969	4978	2240	3669	14424	7081	13878	10024	3486	958	3426	833
glycine	Glycine	37645	35264	41208	40437	53304	37362	46368	32721	51830	36413	35902	51117	42905	42829	83538	40962	35571	44970	40700	48781	54214	44910	55546	51457	45102	45823	30024	39079	54400	45757	45297	45388	44507	45947	38143	38892	56060	48259	52103	46165
glycolic acid	Glycolic acid	153	259	343	254	262	73	157	238	281	103	200	269	145	442	138	181	114	260	243	361	124	197	383	281	549	284	105	319	227	213	139	530	190	259	299	311	285	233	503	712
glycyl tyrosine	Gly-Tyr	500	134	187	272	77	569	305	403	167	751	388	116	161	126	746	508	122	142	101	304	225	108	50	113	122	44	178	80	109	107	150	120	46	101	107	54	105	110	46	147
guanosine	Guanosine	46	41	62	32	70	31	27	101	50	127	133	38	43	58	74	40	180	40	49	480	25	52	28	31	23	26	67	20	32	63	20	33	25	26	17	47	32	24	49	27
heptadecanoic acid	Margaric acid	2733	10105	4788	2244	2535	4104	1861	16738	3025	3114	3970	3663	2901	2677	9185	2251	37069	2406	3824	2468	4068	5995	3355	2184	2858	4377	21095	4028	1136	4479	4710	2288	4185	2412	5310	4507	2518	2646	1706	1739
hexadecylglycerol NIST	MG O-16:0	88	93	59	134	134	67	90	39	95	63	21	110	130	116	135	48	52	173	48	59	101	139	317	82	215	168	114	133	178	91	109	589	284	191	185	302	225	161	238	99
hexitol	Sorbitol	253	603	318	443	598	263	326	257	470	399	910	358	373	328	913	379	226	590	378	284	363	511	931	370	560	524	446	559	703	388	476	892	1074	775	799	1044	589	413	571	399
hexonic acid	Gluconic acid	33	48	39	32	29	51	61	56	91	94	67	73	107	36	78	82	38	76	88	78	36	50	20	47	23	45	127	25	47	68	73	96	65	32	80	14	114	30	33	68
hexose-6-phosphate	Hexose 6-phosphate	25	24	24	38	23	32	18	180	30	84	77	41	18	32	138	32	145	25	28	116	54	32	335	18	329	360	56	110	239	173	95	364	224	557	956	46	41	43	55	110
hexuronic acid	Hexuronic acid	2472	2539	2144	3492	2327	1805	3130	1465	2524	2275	1381	1845	2055	1593	2237	2403	655	3435	2050	1958	2412	2587	3056	1835	3162	1368	2662	3489	972	1463	2199	2262	1455	3369	1970	2203	2876	2376	3915	3340
hydroxycarbamate NIST	Hydroxycarbamic acid	80	88	141	84	82	44	85	76	161	42	78	128	100	137	21	89	82	148	85	137	75	80	155	143	99	175	84	148	107	72	57	124	115	122	102	124	87	85	208	276
hydroxylamine	Hydroxylamine	513	701	816	888	558	391	792	559	1008	487	421	936	564	1008	157	723	521	694	761	406	486	525	903	1142	896	953	600	723	553	630	481	1043	636	862	586	692	518	435	1275	2562
hypoxanthine	Hypoxanthine	779	687	822	54	1875	631	465	2084	6616	3208	10713	1542	7061	4374	3486	3079	840	72	3421	20858	5172	26	363	1870	159	4828	3304	2148	2056	2323	2315	2654	1028	6838	3968	743	1211	7564	1429	1361
inosine	Inosine	166	203	130	155	314	102	88	498	584	1130	5424	182	870	462	1217	495	700	225	306	10368	468	118	119	149	92	144	371	142	129	147	211	282	110	671	302	231	184	471	200	155
inositol-4-monophosphate	Inositol 4-phosphate	131	61	73	56	43	76	52	525	58	216	434	24	67	47	193	76	690	59	37	445	191	59	1382	64	585	1126	196	178	586	323	314	277	282	524	1869	73	130	235	24	126
isoheptadecanoic acid NIST	15-Methylpalmitic acid	546	1919	1051	773	792	768	425	2540	703	624	620	1024	670	769	1478	306	6223	627	717	315	458	1394	346	593	417	495	3430	523	177	653	710	307	362	374	767	953	276	349	396	256
isoleucine	Isoleucine	76254	47205	72066	76638	46448	85842	92497	47885	42088	87759	49545	53171	48991	52370	69464	53087	15111	62985	31137	37355	77726	51961	38176	70620	65157	43010	62051	76402	72203	72968	76783	61956	51518	66032	62405	38346	60954	77783	29799	73111
isolinoleic acid NIST		262	107	60	187	64	215	180	44	88	461	28	31	114	109	312	251	40	106	39	180	105	54	50	82	144	24	129	34	84	54	31	113	29	118	95	59	102	79	43	129
isothreonic acid	D-Threonic acid	42	79	42	63	57	30	35	53	56	36	36	36	52	55	48	49	29	60	78	45	63	41	97	54	86	69	31	39	79	51	51	77	83	61	81	89	70	62	116	119
lactic acid	Lactic acid	22789	31140	24090	753	35362	19128	20306	19473	34572	19182	1133	27740	38959	34775	32305	25945	10511	35574	35660	32767	4857	31968	46065	22667	36089	30016	11536	22577	30141	23378	27266	41000	1049	40091	37229	50796	39997	30112	59627	38883
lauric acid	Lauric acid	4411	14281	8677	890	1044	9875	855	38588	1075	3026	3552	4983	1703	1384	13286	976	101009	902	3507	2150	11976	4091	1435	2921	4077	9697	39876	18963	890	12369	13515	2163	5752	2950	14092	2770	2948	6337	1553	1316
leucine	Leucine	156688	98636	147378	147503	111251	162967	159168	131207	90438	138179	129258	116057	116937	120916	39656	136352	46379	124390	70832	96604	157575	117873	77114	129910	133853	97663	126631	149070	160136	146415	142250	129354	107149	137915	116208	77478	118224	152604	64449	139622
lignoceric acid	Lignoceric acid	68	126	72	67	50	121	102	390	83	99	70	98	75	92	165	63	900	121	65	112	67	225	71	65	104	101	235	69	69	88	56	81	97	70	124	105	63	76	95	62
lysine	Lysine	61834	7339	19029	33170	5725	54626	20981	23454	10416	69803	39000	8805	6768	15311	29407	29102	18742	8272	4934	6440	23696	6001	6633	27171	23099	7199	9863	8610	9203	17066	12241	11186	6073	16485	12975	3120	8198	14265	6683	13459
lyxitol	L-Arabitol	110	97	150	107	175	116	142	151	233	174	207	159	75	171	265	178	81	330	242	331	139	100	99	163	235	207	84	77	158	167	149	232	260	213	166	167	273	185	264	282
malic acid	Malic acid	3921	2620	4196	4801	3616	2405	4556	3876	5787	3289	5731	3552	4232	4176	4336	3661	2570	3888	4716	5921	2728	3305	5311	3257	5385	4471	2745	3257	3634	3835	2680	6317	4335	4465	7343	6214	3273	3910	5986	3858
mannose	Mannose	1456	1524	1418	3025	1691	1517	1605	2924	2325	2242	1770	1912	1468	1367	2632	1631	1765	3136	2098	2792	2287	2611	7275	1441	4037	6351	2341	3739	3923	3033	3497	3564	4565	3886	3683	2856	4034	3428	3155	5801
methanolphosphate	Methanolphosphate	64	837	220	68	111	42	84	94	80	112	120	335	155	119	285	108	72	285	262	819	116	130	519	256	152	504	60	95	372	103	131	164	623	410	333	191	173	156	522	248
methionine	Methionine	22969	13226	18582	22088	13352	25579	22188	16172	10411	28390	15090	12862	18582	14227	26169	19816	4490	17682	8466	10596	21247	13037	8077	16843	18049	9527	15385	17323	20443	18182	18894	13097	13938	19124	15574	11123	12688	17284	6939	10337
methionine sulfoxide	Methionine sulfoxide	271	271	274	462	83	187	414	242	253	276	151	517	190	431	208	201	219	307	270	166	524	534	461	645	536	510	902	674	474	397	806	959	417	626	1102	267	1020	356	385	2192
monomyristin	MG 14:0	62	397	108	28	38	164	23	1747	25	42	87	72	25	29	204	26	3294	28	150	32	88	74	68	70	30	85	817	63	29	71	117	45	39	23	80	52	28	41	47	60
myo-inositol	Myo-inositol	28825	25183	32266	31201	43870	25392	30793	31827	37697	27528	26647	36720	27063	38572	29468	33450	31195	34363	41622	34046	34970	40302	55161	39095	38851	41967	31638	33006	39721	36385	26299	47171	32417	50804	3451	46707	33578	33551	44031	49806
myristic acid	Myristic acid	18481	58817	21246	3644	3801	30076	3262	146483	4934	14215	28117	16314	4790	4482	46955	4712	247569	3233	26449	8801	23355	23271	5725	12058	11063	28890	133788	35135	3314	29740	29496	5902	14149	8729	23153	8333	8323	12426	4275	5399
N-acetylaspartic acid	N-Acetylaspartic acid	102	73	89	121	151	79	73	208	164	106	167	95	103	100	160	126	231	77	232	352	102	108	264	77	118	149	113	124	158	108	108	101	145	171	230	117	173	119	295	140
n-acetyl-d-hexosamine	N-Acetylhexosamine	1823	2940	1180	2839	2442	1007	1551	1872	1971	1354	835	1654	1830	1254	2734	1585	974	3670	3453	927	724	2239	1465	954	1825	772	1221	1340	877	851	833	2278	2783	1953	1258	2943	2756	1414	5076	1756
N-acetylgalactosamine	N-Acetylgalactosamine	703	821	866	982	1154	606	910	878	1082	780	560	714	1120	868	994	1146	575	1133	899	1173	424	876	733	739	432	270	294	311	239	341	356	619	356	689	305	1351	839	480	1524	579
N-acetylglutamate	N-Acetylglutamic acid	24	32	31	34	44	34	35	38	46	33	23	58	21	41	76	30	55	30	54	113	24	35	55	48	39	52	23	38	46	30	26	50	80	39	22	61	31	23	90	63
nicotinamide	Niacinamide	3836	4703	3445	4633	5053	2714	3956	3597	5904	4289	4372	3777	6332	4776	5563	5096	3043	4885	5546	5889	2366	3426	5067	2971	4627	4283	1940	2988	3975	3197	3198	4562	5814	5373	5863	6151	3943	3577	8639	4051
nicotinic acid	Nicotinic acid	27	54	136	49	96	162	113	604	101	42	42	86	60	89	51	127	107	48	123	288	379	89	192	105	232	110	821	137	107	83	194	55	119	79	77	38	564	275	522	136
N-methylalanine	N-Methylalanine	4679	2905	3790	2701	3479	1700	2839	7618	6011	3420	4024	4156	4689	4367	3375	8170	6276	4076	9522	8383	1593	1401	2300	1743	4136	3995	1453	1634	2005	2395	1360	1730	2818	2792	2556	3119	2662	2072	14795	5062
nonadecanoic acid	Nonadecylic acid	469	1620	697	339	372	812	276	3083	439	764	690	575	381	349	2062	360	6171	395	412	542	521	932	511	345	382	618	3406	580	143	709	688	330	566	288	728	773	388	320	449	207
octadecylglycerol	MG O-18:0	103	169	76	168	91	74	181	45	141	75	34	121	155	119	108	93	41	288	148	36	237	259	869	159	530	319	195	317	325	314	336	469	500	271	644	227	501	339	256	135
oleic acid	Oleic acid	12139	36285	15640	5262	5199	67721	4340	46228	5668	9985	75411	13108	7493	6176	26887	5090	61854	7558	18497	7874	14832	27896	7844	7477	11968	17877	50898	67596	5142	16006	58153	5815	17599	9496	16453	11019	8557	8539	4135	2709
ornithine	Ornithine	13538	7714	17743	13431	7125	10046	9243	7549	9866	12458	8946	7196	6595	6231	10264	8464	5783	7099	3839	6090	6603	5475	3136	9758	5324	4230	6679	4504	4840	6234	6215	4263	3531	4700	4122	2713	5151	6870	4039	5416
orotic acid	Orotic acid	161	403	77	288	152	79	121	80	239	108	78	155	140	81	77	118	52	260	170	89	126	186	606	148	193	394	109	108	228	118	161	246	165	155	136	155	228	154	451	225
oxalic acid	Oxalic acid	358	530	270	605	385	239	155	24	214	30	175	350	294	330	81	290	43	761	507	141	76	477	841	182	637	481	178	332	393	157	124	408	1147	634	736	531	501	168	1204	418
oxoproline	Oxoproline	65473	66884	71357	85891	60528	66987	71156	95237	91634	102542	90493	74980	66593	72448	74564	82323	61423	82238	75169	138143	59601	58164	77305	76339	69720	67214	60259	73861	74048	61883	60392	76971	80443	86119	75634	72010	67646	70137	100217	83390
palmitoleic acid	Palmitoleic acid	25860	47373	11918	2947	2330	27096	3082	703	2348	14563	44753	11954	3200	4409	29275	3150	1149	2574	51106	5758	11641	16169	5457	15797	11099	29642	72727	29578	2100	15888	15907	4704	11089	8422	11919	4643	8735	5476	2727	4537
pantothenic acid	Pantothenic acid	151	202	189	220	289	156	242	178	297	207	208	182	263	219	177	272	86	102	227	387	107	198	201	116	124	150	98	140	119	79	130	172	195	109	154	249	172	150	295	152
parabanic acid NIST	Parabanic acid	462	165	440	589	82	552	534	590	245	527	609	139	202	390	534	407	239	221	162	486	471	165	157	280	532	150	316	204	133	489	377	272	152	334	352	166	221	139	200	158
p-cresol	P-Cresol	26098	30635	36973	33762	32579	21391	33021	27282	44291	22153	28853	38717	30549	46912	14542	31165	27661	32462	35753	36082	30199	29489	43716	44073	37933	45087	25917	31733	32377	32212	25532	48083	36184	33491	26527	33339	28419	34366	59528	84307
pelargonic acid	Pelargonic acid	905	1020	807	2924	740	1251	963	3590	1002	641	2126	1569	757	1367	404	1226	4334	852	930	1758	743	978	1108	1686	964	1062	1179	1900	835	922	729	1252	3387	928	969	1319	947	1070	1382	2075
pentadecanoic acid	Pentadecylic acid	2476	8202	3474	1682	1549	3930	953	14673	1868	2791	3726	3203	2181	1220	7782	1746	30678	1768	2863	2192	3763	4005	3907	1892	2927	3853	15589	4434	1030	5430	5269	2207	4350	2310	5198	2725	2527	2398	1146	1295
pentonic acid		154	227	33	226	74	20	18	136	48	83	77	30	44	27	149	65	76	185	270	51	23	79	205	47	133	114	42	52	82	55	34	69	132	100	107	42	145	51	427	128
pentono-1_4-lactone	Ribonolactone	92	72	606	135	78	87	507	84	655	170	122	18	567	44	168	40	44	114	93	46	64	73	99	60	92	77	39	58	97	29	20	59	114	60	103	49	46	28	195	132
phenylalanine	Phenylalanine	69889	32745	47899	65807	26993	77375	58088	58340	27812	53954	64818	31838	43977	34245	78418	55818	16579	40063	20911	36518	38421	28163	21042	33476	36279	22642	40208	37391	38251	40864	44112	32013	29390	36907	42052	22297	30715	38277	16706	34102
phenylethylamine	Phenylethylamine	1028	2603	2268	3345	3630	1024	978	2337	2567	1387	1869	1388	2494	2375	2199	4422	2854	1776	2474	4257	1544	2605	6498	1085	2699	4464	1814	2044	2307	2110	1631	3074	8077	3046	2718	2817	3112	4766	2959	3196
phosphate	Phosphoric acid	21022	26447	29085	28710	37775	4612	20513	27040	39887	13327	25642	37018	27889	40675	21239	23005	27560	30402	26573	24608	17563	31976	25101	18638	4273	34112	25483	26938	30732	15271	24016	19916	32316	23657	24696	34157	32821	11777	38682	50663
phosphoethanolamine	Phosphoethanolamine	87	16	95	146	47	67	106	596	124	853	1443	25	77	146	294	338	1930	71	145	4638	51	51	558	65	183	1883	93	105	351	255	109	545	170	129	1816	213	58	93	85	134
proline	Proline	64208	71529	87252	66189	103921	72930	82891	45951	61724	57735	53433	95228	74793	75196	64949	57599	29872	78750	59910	57997	122857	84184	78657	103132	85385	80977	75208	108138	125975	118852	120739	82009	84518	98184	73933	73452	103178	130911	45172	70942
propane-1_3-diol NIST	Propane-1,3-diol	185	138	199	214	211	129	207	144	284	138	89	207	167	283	44	179	175	212	193	210	146	188	311	266	230	243	128	153	193	197	140	293	195	198	127	202	182	182	387	539
pseudo uridine	Pseudouridine	274	211	127	186	182	166	134	214	165	233	124	161	172	173	274	173	165	194	157	202	115	128	176	174	115	182	105	135	91	120	58	200	182	137	171	233	215	158	152	194
putrescine	Putrescine	593	1143	735	561	361	401	406	523	227	422	381	586	405	358	555	422	566	186	398	148	507	489	883	333	195	248	765	141	83	474	415	174	251	316	510	426	297	281	607	306
pyrophosphate	Pyrophosphate	176	372	426	170	116	137	274	295	706	409	984	520	146	502	242	310	512	314	186	561	190	285	972	447	543	865	402	783	202	488	300	669	473	630	550	564	215	318	356	812
ribitol	Ribitol	115	142	158	138	160	131	100	194	313	134	177	137	249	204	271	229	122	126	286	232	82	108	203	120	157	132	103	115	147	91	112	142	160	247	197	244	227	167	316	130
ribonic acid	Ribonic acid	122	200	33	201	52	20	18	150	48	74	42	30	52	27	125	45	88	158	307	51	23	100	160	47	65	94	26	28	64	55	34	96	98	82	89	67	127	51	481	189
ribose	Ribose	46320	40013	44114	61341	62750	42359	60380	26110	55071	48177	24420	45076	81197	58773	71302	72517	13532	60972	61719	48842	21351	31085	10919	40624	15675	8261	14843	14091	10847	19178	19668	25855	26951	24543	16738	54964	36088	29685	71447	29719
salicylaldehyde	2-Hydroxybenzaldehyde	72	41	128	112	113	74	84	70	74	107	94	138	89	106	53	68	78	83	62	160	75	53	58	7	139	85	54	95	52	60	66	181	92	94	104	89	94	82	212	191
serine	Serine	76142	63831	74820	91414	68625	77579	103173	42885	72883	74082	51111	84882	80055	81221	67982	73379	22351	86358	66632	54552	84232	58671	61344	92657	79044	71625	66528	78020	86061	90938	80667	84053	76489	86643	85034	67999	81954	89330	55399	76002
shikimic acid	Shikimic acid	22	17	27	32	50	35	24	289	44	1260	639	29	47	21	591	32	29	171	43	174	104	27	295	35	26	150	35	52	128	105	99	77	150	75	63	72	241	133	468	207
sorbitol	Sorbitol	5827	4527	10676	2204	2278	3493	4873	8835	1387	39484	28802	279	1856	496	713	454	1014	814	13570	2722	4508	1042	1407	509	2055	571	11740	6064	1365	6905	7333	2388	283	590	402	305	840	5076	1887	1084
spermidine	Spermidine	440	503	246	345	159	374	143	1184	175	911	550	110	113	192	2002	441	706	172	243	262	153	171	89	218	374	81	239	72	62	416	98	214	106	117	223	330	94	94	157	140
squalene	Squalene	62	40	61	55	65	86	100	134	74	189	76	107	90	117	152	109	330	106	93	124	118	236	71	88	95	85	15	154	39	80	85	268	95	62	148	83	61	17	73	58
stearic acid	Stearic acid	149747	208452	210462	146735	161549	176868	125185	116794	193883	159955	203481	176543	178202	167684	109088	155185	323411	144526	239063	169178	141698	249371	180247	126763	153719	198786	220426	157971	75220	166670	158306	132988	180934	125819	197048	242764	124294	124488	126352	132438
succinate semialdehyde	Succinic acid semialdehyde	552	821	530	652	686	556	1618	965	654	810	767	561	963	474	956	939	220	215	395	562	469	610	401	362	842	426	307	409	221	780	533	781	228	509	466	571	206	493	237	179
sucrose	Sucrose	26	26	22	30	33	18	24	41	26	24	21	33	28	30	34	29	29	54	9	47	23	31	26	37	28	33	20	19	33	13	22	39	35	21	23	30	34	42	53	57
sulfuric acid	TG 16:0_18:1_18:1	15	136	118	299	37	12	598	32	19	15	73	85	108	27	14	20	17	1047	36	15	101	93	142	1686	116	128	17	39	157	22	19	165	420	622	123	26	50	52	1857	845
taurine	Taurine	15481	26872	18107	31355	17313	3727	23658	6280	16374	7240	12525	13385	34453	20392	4946	18517	8946	36395	16759	13752	25864	23643	20161	27079	42171	49172	10441	22734	37054	27727	19931	34954	40969	33067	30806	10667	32225	26998	46393	39028
threonic acid	Threonic acid	324	368	438	422	241	209	140	94	393	282	143	364	618	632	327	331	122	217	181	297	102	206	583	257	241	544	193	659	244	146	232	1191	194	410	210	334	510	163	1197	1612
threonine	Threonine	31863	23494	31999	37615	26166	32662	40612	20873	31623	35590	22842	33294	25806	27598	27367	29346	12001	32164	25762	27397	36303	24687	25251	38958	31782	29977	26885	35832	37165	35754	35434	33015	29147	31312	30726	23686	31972	38332	22497	34654
thymine	Thymine	96	60	253	84	201	125	323	99	21	85	79	148	154	171	95	111	52	269	82	86	185	200	266	634	231	141	139	151	271	117	199	402	184	218	148	219	323	184	285	353
tocopherol alpha-	alpha-Tocopherol	186	167	129	134	245	103	224	433	334	217	175	269	236	218	266	210	415	123	298	195	191	241	277	118	247	180	211	188	167	204	159	364	202	145	153	293	174	198	283	140
trans-4-hydroxyproline	trans-4-Hydroxyproline	4234	3805	3430	3734	4084	3014	2361	4717	5904	4261	5488	3087	4520	4523	4938	5385	5880	3120	2833	7832	2335	2638	3895	2845	3720	3006	2307	3065	3348	2692	3010	3520	4050	4937	3169	4470	3948	3231	4105	2640
tryptophan	Tryptophan	27852	5791	25903	21222	5445	29155	16957	9004	8713	40215	20336	8663	9371	11303	17411	15456	2980	9880	4763	10812	15232	9511	4601	10649	12593	5979	4613	7939	7159	17363	13073	8294	7758	10591	12249	5486	7201	5357	3527	5848
tyrosine	Tyrosine	7264	14104	11676	9750	15219	11081	11494	17255	12760	12323	11425	22367	21275	8934	13748	8028	3799	15522	14016	29317	7692	15354	10674	6959	5645	12682	23619	21894	18235	9301	10702	12138	13801	6696	13843	16378	13451	18767	7958	18976
UDP GlcNAc	UDP-N-acetylglucosamine	25	19	22	29	31	23	21	63	34	50	63	43	19	31	44	27	49	20	21	112	20	24	38	47	42	50	31	10	61	46	20	30	11	56	65	22	40	15	37	44
UDP-glucuronic acid	UDP-glucuronic acid	40	44	31	49	59	25	95	24	19	22	28	24	27	35	40	27	35	92	59	19	83	41	103	39	109	30	125	203	136	65	42	85	82	96	72	32	71	93	162	106
uracil	Uracil	16448	22248	16200	21853	22405	12374	16451	15284	21514	14879	8759	16807	23630	20967	18122	22918	7541	22384	24218	17724	10345	14640	22931	14310	17610	15221	7990	10244	12522	11642	12321	15423	15328	14759	13561	26022	17854	14494	35073	18650
urea	Urea	23694	18119	8510	14349	16008	6452	13886	9009	18852	13801	14138	13132	19070	14266	15437	16881	9791	15740	7905	17240	440	11203	16882	14553	690	16629	492	6099	4366	5338	99	13110	23629	10465	9355	25259	867	1251	19455	13135
uric acid	Uric acid	8563	9591	11560	9748	13641	8166	10888	5582	10926	7095	2917	10219	10114	12432	3984	4392	9810	7890	12562	1012	3270	12759	15416	8595	9185	10111	8507	9943	10132	8050	7218	13857	7470	14547	5450	5231	8744	3619	22602	14553
uridine	Uridine	307	381	169	230	254	208	221	963	152	822	1730	226	259	208	540	243	882	364	269	2616	268	256	754	182	307	364	336	211	142	147	223	574	440	2239	664	243	416	180	420	369
valine	Valine	85656	64767	86800	91419	67123	91951	105143	60624	59036	89833	61910	77571	69858	71126	85516	68619	21950	80421	43536	55709	106786	68190	54935	98127	81253	65070	72373	92725	98742	89715	90229	77865	69470	80967	73707	53610	79392	103147	45295	93851
xanthine	Xanthine	3828	4758	7350	109	7863	3892	4141	5783	14237	9705	8852	6606	11536	9040	6517	9266	3063	179	9276	11137	7193	60	2473	9592	420	10262	4574	4843	6018	7794	8645	6731	3501	8867	5089	3107	5698	10448	4135	5110
xanthosine	Xanthosine	35	63	38	27	28	22	50	12	32	22	34	22	58	50	40	60	45	26	21	53	42	31	80	65	50	86	42	53	79	73	68	78	85	71	62	59	96	60	84	79
xylitol	Xylitol	1135	1343	2091	1712	2756	1086	968	1647	1837	1179	1846	1869	2032	1768	1754	1800	1093	1348	2694	1498	768	1123	1279	1378	1431	748	1137	864	717	950	1126	1644	1262	1421	857	1693	1493	809	3071	903
xylose	Xylose	321	106	251	279	277	178	307	252	336	237	81	189	294	176	302	169	203	393	310	352	293	136	377	309	446	266	310	255	391	282	296	175	342	151	478	382	345	301	473	369