#METABOLOMICS WORKBENCH chiharu_20220519_022138_mwtab.txt DATATRACK_ID:3262 STUDY_ID:ST002172 ANALYSIS_ID:AN003559 PROJECT_ID:PR001381
VERSION             	1
CREATED_ON             	May 19, 2022, 6:50 am
#PROJECT
PR:PROJECT_TITLE                 	Cecal and serum metabolome of specific-pathogen-free, gnotobiotic (containing a
PR:PROJECT_TITLE                 	14-member synthetic human gut microbiota), and germ-free mice fed with five
PR:PROJECT_TITLE                 	distinct rodent diets with varying fiber content and source.
PR:PROJECT_SUMMARY               	In an effort to discern the effects of diverse fibers on host immunity, we
PR:PROJECT_SUMMARY               	employed five distinct rodent diets with varying fiber content and source in
PR:PROJECT_SUMMARY               	specific-pathogen-free, gnotobiotic (containing a 14-member synthetic human gut
PR:PROJECT_SUMMARY               	microbiota), and germ-free mice.
PR:INSTITUTE                     	Luxembourg Institute of Health
PR:DEPARTMENT                    	Department of Infection and Immunity
PR:LAST_NAME                     	Desai
PR:FIRST_NAME                    	Mahesh S
PR:ADDRESS                       	4354 Esch-sur-Alzette, Luxembourg
PR:EMAIL                         	mahesh.desai@lih.lu
PR:PHONE                         	+352 26970-389
#STUDY
ST:STUDY_TITLE                   	Cecal metabolome of gnotobiotic (containing a 14-member synthetic human gut
ST:STUDY_TITLE                   	microbiota), and germ-free mice fed with two distinct rodent diets with varying
ST:STUDY_TITLE                   	fiber content.
ST:STUDY_SUMMARY                 	In an effort to discern the effects of diverse fibers on host immunity, we
ST:STUDY_SUMMARY                 	employed five distinct rodent diets with varying fiber content in gnotobiotic
ST:STUDY_SUMMARY                 	(containing a 14-member synthetic human gut microbiota), and germ-free mice.
ST:INSTITUTE                     	Luxembourg Institute of Health
ST:DEPARTMENT                    	Department of Infection and Immunity
ST:LAST_NAME                     	Desai
ST:FIRST_NAME                    	Mahesh S
ST:ADDRESS                       	4354 Esch-sur-Alzette, Luxembourg
ST:EMAIL                         	mahesh.desai@lih.lu
ST:PHONE                         	+352 26970-389
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
SU:GENDER                        	Male and female
#FACTORS
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	-	AF20_BC_191	Organ:Cecum | Treatment:Germfree | Diet:Fiber-rich	RAW_FILE_NAME=1.d
SUBJECT_SAMPLE_FACTORS           	-	AF20_BC_192	Organ:Cecum | Treatment:Germfree | Diet:Fiber-rich	RAW_FILE_NAME=2.d
SUBJECT_SAMPLE_FACTORS           	-	AF20_BC_194	Organ:Cecum | Treatment:Germfree | Diet:Fiber-rich	RAW_FILE_NAME=3.d
SUBJECT_SAMPLE_FACTORS           	-	AF20_BC_195	Organ:Cecum | Treatment:Germfree | Diet:Fiber-rich	RAW_FILE_NAME=4.d
SUBJECT_SAMPLE_FACTORS           	-	AF20_BC_196	Organ:Cecum | Treatment:Germfree | Diet:Fiber-free	RAW_FILE_NAME=5.d
SUBJECT_SAMPLE_FACTORS           	-	AF20_BC_197	Organ:Cecum | Treatment:Germfree | Diet:Fiber-free	RAW_FILE_NAME=6.d
SUBJECT_SAMPLE_FACTORS           	-	AF20_BC_198	Organ:Cecum | Treatment:Germfree | Diet:Fiber-free	RAW_FILE_NAME=7.d
SUBJECT_SAMPLE_FACTORS           	-	AF20_BC_205	Organ:Cecum | Treatment:Germfree | Diet:Fiber-free	RAW_FILE_NAME=8.d
SUBJECT_SAMPLE_FACTORS           	-	AF19_BC_214	Organ:Cecum | Treatment:Gnotobiote (14SM) | Diet:Fiber-rich	RAW_FILE_NAME=9.d
SUBJECT_SAMPLE_FACTORS           	-	AF19_BC_215	Organ:Cecum | Treatment:Gnotobiote (14SM) | Diet:Fiber-rich	RAW_FILE_NAME=10.d
SUBJECT_SAMPLE_FACTORS           	-	AF19_BC_216	Organ:Cecum | Treatment:Gnotobiote (14SM) | Diet:Fiber-rich	RAW_FILE_NAME=11.d
SUBJECT_SAMPLE_FACTORS           	-	AF20_BC_206	Organ:Cecum | Treatment:Gnotobiote (14SM) | Diet:Fiber-rich	RAW_FILE_NAME=12.d
SUBJECT_SAMPLE_FACTORS           	-	AF19_BC_217	Organ:Cecum | Treatment:Gnotobiote (14SM) | Diet:Fiber-free	RAW_FILE_NAME=13.d
SUBJECT_SAMPLE_FACTORS           	-	AF19_BC_218	Organ:Cecum | Treatment:Gnotobiote (14SM) | Diet:Fiber-free	RAW_FILE_NAME=14.d
SUBJECT_SAMPLE_FACTORS           	-	AF19_BC_219	Organ:Cecum | Treatment:Gnotobiote (14SM) | Diet:Fiber-free	RAW_FILE_NAME=15.d
SUBJECT_SAMPLE_FACTORS           	-	AF20_BC_209	Organ:Cecum | Treatment:Gnotobiote (14SM) | Diet:Fiber-free	RAW_FILE_NAME=16.d
#COLLECTION
CO:COLLECTION_SUMMARY            	Cecal metabolome of gnotobiotic (containing a 14-member synthetic human gut
CO:COLLECTION_SUMMARY            	microbiota), and germ-free mice fed with two distinct rodent diets with varying
CO:COLLECTION_SUMMARY            	fiber content.
CO:SAMPLE_TYPE                   	Cecum
#TREATMENT
TR:TREATMENT_SUMMARY             	Germ-free BALB/c mice were bred in isolators and transferred to iso-cages prior
TR:TREATMENT_SUMMARY             	to experimental feeding and/or 14SM colonization. Mice were fed on their
TR:TREATMENT_SUMMARY             	respective diets for 40 days and then sacrificed by cervical dislocation.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Cecal contents were lyophilized using a VD-800R lyophilizer (TAITEC) for 24
SP:SAMPLEPREP_SUMMARY            	hours. Freeze-dried samples were disrupted with 3.0-mm Zirconia Beads
SP:SAMPLEPREP_SUMMARY            	(Biomedical Science) by vigorous shaking (1,500 rpm for 10 min) using Shake
SP:SAMPLEPREP_SUMMARY            	Master (Biomedical Science). Cecal metabolites were extracted using the
SP:SAMPLEPREP_SUMMARY            	methanol:chloroform:water extraction protocol.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	Other
CH:INSTRUMENT_NAME               	Agilent CE
CH:COLUMN_NAME                   	Fused-silica, i.d. 50 µm(cation)
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Agilent CE-TOFMS
MS:INSTRUMENT_TYPE               	Other
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	In-house software (MasterHands) was used for peak area integration and
MS:MS_COMMENTS                   	annotation.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	nmol/g
MS_METABOLITE_DATA_START
Samples	AF20_BC_191	AF20_BC_192	AF20_BC_194	AF20_BC_195	AF20_BC_196	AF20_BC_197	AF20_BC_198	AF20_BC_205	AF19_BC_214	AF19_BC_215	AF19_BC_216	AF20_BC_206	AF19_BC_217	AF19_BC_218	AF19_BC_219	AF20_BC_209
Factors	Organ:Cecum | Treatment:Germfree | Diet:Fiber-rich	Organ:Cecum | Treatment:Germfree | Diet:Fiber-rich	Organ:Cecum | Treatment:Germfree | Diet:Fiber-rich	Organ:Cecum | Treatment:Germfree | Diet:Fiber-rich	Organ:Cecum | Treatment:Germfree | Diet:Fiber-free	Organ:Cecum | Treatment:Germfree | Diet:Fiber-free	Organ:Cecum | Treatment:Germfree | Diet:Fiber-free	Organ:Cecum | Treatment:Germfree | Diet:Fiber-free	Organ:Cecum | Treatment:Gnotobiote (14SM) | Diet:Fiber-rich	Organ:Cecum | Treatment:Gnotobiote (14SM) | Diet:Fiber-rich	Organ:Cecum | Treatment:Gnotobiote (14SM) | Diet:Fiber-rich	Organ:Cecum | Treatment:Gnotobiote (14SM) | Diet:Fiber-rich	Organ:Cecum | Treatment:Gnotobiote (14SM) | Diet:Fiber-free	Organ:Cecum | Treatment:Gnotobiote (14SM) | Diet:Fiber-free	Organ:Cecum | Treatment:Gnotobiote (14SM) | Diet:Fiber-free	Organ:Cecum | Treatment:Gnotobiote (14SM) | Diet:Fiber-free
Acetylcholine	0.45	0.45	0.98	0.42	1.0	0.63	0.68	0.75	1.7	2.6	1.4	1.3	11	7.1	11	20
Adenine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	15	18	18	22	11	11	6.8	14
Adenosine	33	19	52	19	25	1.6	4.2	2.3	24	31	32	37	7.8	12	8.1	18
ADMA	14	17	13	7.7	12	14	11	11	74	88	81	56	36	32	45	43
Agmatine	1.7	2.6	1.5	1.3	0.41	N.D.	N.D.	N.D.	3.7	4.0	3.7	10	0.84	1.8	1.3	1.7
AICAR	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Ala	1409	1789	2100	698	2011	1575	2606	1932	1234	1732	1683	2145	4745	3166	3940	4324
Ala-Ala	19	14	19	10	22	6.3	22	9.5	376	391	401	536	134	112	117	129
Allantoin	1439	1516	1036	986	1686	1253	1474	1344	2793	2575	2528	2389	1224	2141	1210	960
Alliin	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
alpha-Aminoadipate	33	39	48	11	10	9.6	7.7	8.8	24	36	27	30	12	11	8.9	8.8
alpha-Methylbenzylamine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Alpha-Methylserine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	18	15	21	24	11	11	11	12
Amantadine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Aniline	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Anserine	42	44	40	23	1.7	1.6	1.6	1.4	28	35	31	39	1.7	2.2	1.7	1.9
Anthranilate	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	4.9	N.D.	N.D.	N.D.	N.D.
Arg	1687	2163	1994	1005	2013	1740	2090	1939	173	234	231	202	1663	725	654	271
Arginine ethyl ester	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Argininosuccinate	140	86	79	60	98	60	58	64	90	96	87	119	80	83	56	89
Asn	2441	3636	3511	1013	3600	3591	3547	3913	47	62	63	90	93	70	59	39
Asp	1869	1856	1739	1040	2931	2603	2509	2731	1394	1272	1397	2787	1985	1258	1063	1099
Benzamide	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Benzamidine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Benzimidazole	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
beta-Ala	37	44	47	19	8.0	8.0	12	12	75	87	80	81	44	44	56	62
beta-Ala-Lys	N.D.	0.98	0.90	0.38	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
beta-Cyanoalanine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
beta-Imidazolelactate	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Betaine	83	87	150	102	124	113	137	115	439	525	447	466	332	259	311	739
Betaine aldehyde	N.D.	33	42	24	67	80	93	86	29	31	28	42	27	N.D.	42	56
beta-Leucine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Betonicine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Bis(3-aminopropyl)amine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Cadaverine	5.1	9.8	4.1	6.8	1.1	1.4	1.1	2.6	107	241	116	20	1965	467	2116	153
Canavanine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Carnitine	52	46	70	45	82	55	74	58	11	20	37	26	92	72	51	111
Carnosine	0.94	1.1	1.3	N.D.	2.3	2.2	1.6	1.9	N.D.	0.75	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Castanospermine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	4.7	N.D.	2.5	2.7	N.D.	N.D.	N.D.	N.D.
Choline	748	1197	3151	621	3733	2068	3369	4348	2152	2775	1896	1695	7975	7769	5485	12941
Citrulline	111	156	152	51	125	84	82	81	440	433	473	158	1695	903	928	745
Creatine	1244	822	1134	776	3660	2760	2727	2340	2105	2298	3052	2171	3169	3047	3046	5072
Creatinine	1819	1647	1554	1154	316	139	99	160	1490	1816	1478	1312	181	433	138	128
Cyanocobalamin	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Cyclohexylamine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Cys	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Cys-Gly	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Cystathionine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Cysteamine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Cysteine-glutathione disulphide	24	9.4	23	20	78	4.0	29	6.3	N.D.	2.5	6.6	15	N.D.	2.4	N.D.	2.6
Cystine	213	157	121	103	215	245	548	273	2.5	4.1	3.8	4.4	59	72	123	29
Cytidine	338	317	286	249	371	368	367	365	67	61	55	41	61	60	50	40
Cytosine	2.3	3.2	2.2	2.4	N.D.	N.D.	N.D.	N.D.	N.D.	1.6	N.D.	3.3	2.2	1.9	2.4	N.D.
Desthiobiotin	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Diethanolamine	N.D.	3.1	9.4	N.D.	N.D.	3.0	N.D.	N.D.	3.8	8.1	N.D.	13	N.D.	19	2.2	0.16
Dihydrouracil	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
DOPA	48	52	32	33	2.0	N.D.	1.7	1.7	2.1	3.0	2.4	3.1	2.7	N.D.	2.5	1.5
Dopamine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	5.0	4.1	4.4	3.3	N.D.	N.D.	N.D.	N.D.
Ectoine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Epinephrine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Ethanolamine phosphate	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
GABA	86	90	85	24	25	17	15	N.D.	126	138	149	101	95	63	73	4.2
gamma-Butyrobetaine	3.3	3.9	3.7	3.7	2.4	1.7	2.3	1.9	75	84	91	64	54	46	74	21
gamma-Glu-2AB	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
gamma-Glu-cys	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
gamma-Guanidinobutyrate	66	68	69	22	76	70	50	88	112	129	116	71	17	39	18	23
Gln	2070	3061	2992	996	2892	2661	2935	3087	963	1514	1115	1706	1294	675	491	477
Glu	4668	4547	4238	2712	10441	9645	7837	9752	2320	2475	2709	7606	3969	3337	2890	3036
Glucosaminate	14	11	9.6	12	N.D.	N.D.	N.D.	N.D.	23	25	22	21	N.D.	N.D.	N.D.	N.D.
Glucosamine	200	232	141	126	103	65	45	53	96	29	31	46	44	14	30	15
Glu-Glu	9.0	10	8.8	5.3	11	9.0	12	12	6.2	7.8	8.2	8.1	94	166	143	234
Glutathione(ox)	17	5.8	29	15	30	N.D.	4.2	N.D.	N.D.	N.D.	N.D.	20	N.D.	N.D.	N.D.	N.D.
Glutathione(red)	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	4.8	11	N.D.	N.D.	N.D.	N.D.
Gly	2127	3304	3428	657	2880	2708	3107	3166	746	1174	1076	649	3145	2368	3663	4064
Glycerophosphorylcholine	227	130	268	181	419	37	175	100	95	176	217	439	98	38	27	77
Gly-Gly	40	56	46	11	80	88	85	93	12	18	14	11	21	11	14	17
Gly-Leu	15	16	14	8.5	16	16	30	20	N.D.	N.D.	3.4	N.D.	82	49	40	25
Gramine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Guanidinoacetate	7.0	8.3	8.3	6.4	6.3	5.4	7.2	5.9	8.4	10	13	11	11	8.4	7.0	12
Guanidinosuccinate	16	7.8	7.1	7.8	22	17	11	16	30	22	31	20	21	42	15	20
Guanine	28	20	29	20	2.3	1.7	2.4	2.8	18	20	22	23	29	24	15	12
Guanosine	594	437	442	372	671	879	776	759	102	117	95	83	167	107	66	55
Harman	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Hexylamine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
His	416	593	650	209	664	614	813	762	99	114	121	138	348	184	125	107
Histamine	4.0	3.5	4.2	2.7	1.1	1.1	3.2	0.93	20	31	18	3.5	1.8	1.3	0.97	2.0
Histidinol	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	2.9	2.7	2.1	1.4	N.D.	1.6	1.1	1.2
Homocarnosine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Homocysteine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Homocystine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Homoserine	5.6	4.4	5.0	4.1	7.1	8.9	12	11	25	50	31	53	16	37	13	29
Hydroxyproline	245	311	261	85	20	17	20	18	2432	2810	2582	1287	91	83	90	57
Hydroxyurea	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Hypotaurine	72	57	94	47	355	95	197	159	7.3	14	30	35	19	N.D.	6.8	10
Hypoxanthine	55	38	75	47	78	21	94	21	42	76	98	67	118	54	40	52
Ibotenate	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Ile	577	716	769	228	1043	1038	1530	1240	83	109	128	161	1706	1089	1145	1036
Imidazole-4-acetate	5.1	3.2	5.8	2.8	11	6.0	4.7	6.5	11	8.7	12	6.1	8.1	9.9	6.7	6.1
Indole-3-acetaldehyde	299	253	195	202	357	253	327	289	488	481	476	446	290	421	292	249
Indole-3-acetamide	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Indole-3-acetate	16	10	15	12	19	15	14	14	N.D.	N.D.	N.D.	N.D.	22	25	19	22
Indole-3-ethanol	29	31	23	22	25	23	24	24	41	43	42	40	23	23	24	25
Inosine	606	412	535	360	933	867	983	802	594	683	681	534	855	621	540	587
Isoamylamine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Isobutylamine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Isonicotinamide	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Isopropanolamine	1.8	1.8	N.D.	N.D.	N.D.	N.D.	N.D.	2.3	73	189	90	121	48	46	57	49
Kynurenine	2.5	2.9	2.7	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Leu	825	863	1028	370	1083	1066	1922	1210	91	123	131	185	3122	1533	1421	1161
Leu-Leu-Tyr	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Lys	1640	2189	1974	860	2470	2107	2215	2428	360	407	453	497	3976	3642	4638	3290
Lysinamide	N.D.	N.D.	N.D.	N.D.	5.0	4.1	4.4	4.5	3.2	3.9	N.D.	1.8	5.3	6.3	5.8	6.6
Mannosamine	45	46	40	29	28	17	10	14	37	37	27	45	9.7	N.D.	8.0	5.4
Melamine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Melatonin	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Met	235	208	273	88	335	251	535	311	83	114	114	122	1291	894	885	684
Metformin	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Methionine sulfoxide	36	44	56	19	54	56	73	60	13	17	33	18	112	105	95	67
Methionine sulfoximine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Methylguanidine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Muramate	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Muscimol	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
N,N-Dimethylglycine	6.3	7.0	6.2	3.9	6.6	5.7	5.1	5.4	7.5	8.2	7.1	7.3	5.7	5.0	5.2	7.7
N1,N12-Diacetylspermine	N.D.	N.D.	N.D.	N.D.	N.D.	0.60	0.56	0.58	N.D.	N.D.	N.D.	32	2.1	1.6	2.3	1.3
N1,N8-Diacetylspermidine	2.3	2.5	1.6	1.6	1.7	N.D.	N.D.	1.7	4.2	3.3	3.7	16	2.7	3.6	2.8	2.3
N1-Acetylspermidine	13	7.9	5.3	8.0	26	16	14	16	45	51	49	147	46	42	51	29
N1-Acetylspermine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	8.3	N.D.	N.D.	N.D.	N.D.
N6,N6,N6-Trimethyllysine	15	17	14	8.5	15	14	13	12	28	33	31	19	24	19	26	26
N6-Methyl-2'-deoxyadenosine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
N8-Acetylspermidine	3.4	2.6	2.0	2.3	5.4	3.0	2.9	3.2	28	29	30	50	17	17	20	13
N-Acetylglucosamine	195	175	164	117	146	134	121	125	91	125	96	96	123	111	96	91
N-Acetylglucosylamine	74	100	84	45	36	37	47	34	31	22	28	23	162	142	126	181
N-Acetylhistidine	41	40	34	24	24	16	12	18	5.6	4.7	5.9	6.3	3.4	4.6	3.0	3.1
N-Acetylornithine	5.6	5.5	4.2	3.9	5.5	5.2	4.7	5.3	34	27	32	45	34	30	22	28
N-Acetylputrescine	5.4	4.6	3.0	2.9	3.8	2.4	1.9	2.6	39	45	39	54	43	38	37	53
N-Acetylvaline	11	12	9.1	7.9	42	41	32	42	25	27	26	32	71	65	57	57
N-alpha,N-alpha-Dimethylhistidine	1.5	1.4	1.4	0.78	N.D.	N.D.	N.D.	N.D.	1.9	2.1	1.3	1.3	N.D.	N.D.	N.D.	N.D.
N-alpha-Benzenolarginine ethylester	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
n-Butyl a-Picolinate	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
N-epsilon-Acetyllysine	3.4	4.5	4.6	1.9	3.3	3.0	4.2	2.9	4.5	5.9	5.4	5.3	7.3	6.3	7.9	7.7
N-gamma-Ethylglutamine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Nicotinamide	46	27	60	39	60	8.8	39	13	29	33	48	75	108	54	49	44
Nicotine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
N-Methylalanine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	5.8	5.2	5.9	4.7	3.7	3.9	5.3	3.7
N-Methylaniline	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
N-Methylglutamate	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
NMN	9.7	5.6	11	1.6	3.9	1.2	5.6	N.D.	78	78	79	125	57	98	96	188
N-omega-Methyltryptamine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Noradrenaline	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	3.7	1.6	N.D.	3.1	N.D.	N.D.	N.D.	N.D.
Nornicotine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
o-Acetylcarnitine	17	12	37	21	42	22	42	21	3.4	8.8	25	27	21	5.6	7.5	24
O-Acetylserine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	2.3	3.4	3.8	7.1	N.D.	N.D.	N.D.	N.D.
Octopine	49	48	43	24	N.D.	N.D.	N.D.	N.D.	N.D.	11	8.6	57	N.D.	N.D.	N.D.	N.D.
Octylamine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Ophthalmate	117	128	108	71	19	17	17	17	66	79	66	65	15	15	14	12
Ornithine	36	49	43	28	35	36	36	31	227	189	260	90	1833	1373	1885	2057
o-Succinylhomoserine	131	111	126	108	103	92	74	100	60	65	65	77	59	81	53	60
p-Aminobenzoate	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Phe	393	470	572	204	441	419	819	526	83	111	122	100	1485	783	709	496
Phenethylamine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Phenylethanolamine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Phe-Phe	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Phosphorylcholine	25	13	61	35	14	N.D.	25	N.D.	32	43	83	109	44	40	19	72
Picolinamide	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Pipecolate	1.5	2.5	3.0	1.5	1.4	0.92	1.3	1.3	61	75	73	32	41	49	58	36
Pro	5208	6328	5704	1062	9139	9466	7710	8922	7598	8520	8204	5264	20176	20381	21492	19937
Proline betaine	0.81	N.D.	0.85	N.D.	N.D.	N.D.	N.D.	N.D.	1.4	0.92	1.1	1.2	N.D.	N.D.	N.D.	N.D.
Pseudopelletierine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Pterin	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Purine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Purine riboside	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Putrescine(1,4-Butanediamine)	7.9	9.5	6.6	8.1	16	2.6	3.6	3.2	87	183	101	58	70	28	55	49
Pyrazole	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Pyridoxal	9.2	8.6	8.0	4.5	N.D.	N.D.	N.D.	N.D.	17	17	18	16	4.5	2.6	4.5	4.9
Pyridoxamine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	9.8	9.1	13	4.6	2.8	2.5	3.9	2.7
Pyridoxamine 5'-phosphate	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	13	N.D.	N.D.	N.D.	N.D.
Pyridoxine	6.0	5.4	4.7	3.5	N.D.	N.D.	N.D.	N.D.	13	15	15	15	N.D.	N.D.	N.D.	1.2
Riboflavin	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	56	46	38	N.D.	N.D.	N.D.	27	N.D.
Saccharopine	66	59	58	43	13	8.3	8.1	10	9.2	8.3	6.9	5.7	46	8.9	N.D.	N.D.
SAH	1.8	N.D.	1.4	0.65	1.6	0.43	1.2	0.58	10	15	3.8	2.6	4.6	1.7	2.6	8.0
SAM+	6.2	3.2	3.7	3.9	19	12	12	14	48	54	52	60	39	49	32	38
Sarcosine	6.7	5.7	4.1	3.2	6.3	4.7	3.3	3.6	7.8	8.3	8.1	8.4	6.7	8.4	6.2	7.4
SDMA	3.4	3.7	3.2	1.9	2.2	3.6	3.0	2.3	12	13	14	8.1	6.7	6.1	7.2	7.7
Sepiapterin	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Ser	1860	2615	2644	703	3403	3217	3960	3748	297	418	463	740	1781	1160	956	755
Serotonin	8.8	6.5	13	22	19	N.D.	8.5	N.D.	20	22	21	42	13	14	6.9	13
S-Lactoylglutathione	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
S-Methylmethionine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Spermidine	8.1	8.8	5.1	7.6	19	5.2	7.4	6.6	301	378	270	184	84	76	95	76
Spermine	N.D.	N.D.	N.D.	N.D.	0.99	0.76	N.D.	0.79	1.3	2.6	1.7	1.3	0.79	0.51	0.69	1.1
Synephrine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Taurine	315	194	502	320	1158	453	1181	535	2136	2128	3134	3544	5143	4414	7537	6603
Taurocyamine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Tetrahydropalmatine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Thiamine	4.6	4.8	4.3	3.3	2.4	2.7	2.6	2.4	1.5	1.4	0.94	0.81	1.3	1.5	2.2	2.7
Thiamine monophosphate	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	2.4	N.D.	N.D.	N.D.	2.4	3.3	N.D.	4.4
Thr	3075	4474	3830	1463	5318	5045	4867	5537	268	364	325	513	1179	559	488	449
Thymidine	458	441	393	287	210	249	210	211	421	448	437	363	130	143	137	133
Thymine	3591	3643	3457	2930	655	743	722	618	970	934	879	885	656	553	631	706
trans-Zeatin	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	3.7	N.D.	N.D.
TRH	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Trientine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Trigonelline	28	23	11	8.0	N.D.	N.D.	N.D.	N.D.	4.5	5.3	5.6	22	N.D.	N.D.	N.D.	N.D.
Trimethylamine	15	12	20	28	12	10	14	15	47	54	39	50	12	11	14	21
Trimethylamine N-oxide	355	175	171	151	19	8.8	7.6	8.5	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Trimethylsulfonium	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Tropine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Tropinone	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Trp	181	263	277	108	239	272	425	320	80	92	84	74	243	122	93	81
Tryptamine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Tyr	478	658	672	260	807	779	1202	963	76	92	99	118	1652	873	950	886
Tyramine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	3.9	7.0	4.8	N.D.	1.6	N.D.	N.D.	N.D.
Uracil	59	54	61	35	80	109	135	77	51	52	62	38	103	77	45	77
Urea	24799	20596	21854	13559	24367	19579	17807	17858	18455	19395	17097	16977	22741	26717	21337	23050
Uridine	443	326	329	231	1310	974	776	872	272	268	256	229	361	476	323	325
Urocanate	174	193	161	52	321	227	328	290	6.9	6.0	7.1	4.1	54	28	18	11
Val	1037	1455	1572	412	1782	1778	2364	2017	231	292	284	463	2834	2207	2769	2910
Xanthine	103	N.D.	N.D.	N.D.	N.D.	N.D.	72	N.D.	N.D.	N.D.	N.D.	N.D.	57	N.D.	N.D.	N.D.
Xanthopterin	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Xanthosine	12	8.9	8.7	7.6	19	23	14	18	4.0	4.8	N.D.	6.9	3.9	2.6	3.5	3.6
1-Amino-1-cyclopentanecarboxylate	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
1-Aminocyclopropane-1-carboxylate	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
1-Methyl-2-pyrrolidinone	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
1-Methyladenosine	24	18	17	16	13	16	12	14	11	14	7.4	21	6.7	N.D.	5.1	5.8
1-Methylhistamine	0.86	N.D.	0.26	0.48	1.3	0.49	0.50	N.D.	1.3	1.5	1.2	0.68	0.42	0.36	0.34	1.6
1-Methylnicotinamide	45	16	11	19	75	44	31	38	55	51	53	66	22	42	15	21
1,3-Diaminopropane	4.4	4.7	2.8	4.9	N.D.	N.D.	N.D.	N.D.	N.D.	5.7	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
2,3-Diaminopropionate	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
2,4-Diaminobutyrate	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	4.0	3.7	3.7	3.4	N.D.	N.D.	N.D.	N.D.
2,4-Dimethylaniline	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
2AB	4.3	4.9	5.0	6.1	15	7.0	11	7.9	62	55	81	95	148	131	219	166
2-Aminobenzimidazole	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
2-Aminophenol	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	4.7	4.2	4.8	4.4	N.D.	N.D.	N.D.	N.D.
2'-Deoxycytidine	109	106	80	74	148	162	123	154	11	9.5	7.5	6.9	2.1	2.7	3.5	3.1
2'-Deoxyguanosine	233	198	164	151	246	304	228	265	39	29	N.D.	33	28	18	N.D.	16
2'-Deoxyinosine	486	429	405	275	611	747	502	562	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
2-Deoxystreptamine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
2-Guanidinobenzimidazole	N.D.	N.D.	N.D.	N.D.	1.4	1.6	1.2	1.6	N.D.	N.D.	N.D.	N.D.	3.9	4.2	2.7	2.0
3,3',5-Triiodothyronine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
3,5-Diiodo-tyrosine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
3-Aminoisobutyrate	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
3-Aminopropane-1,2-diol	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	76	81	79	67	70	72	73	63
3-Aminopropionitrile	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
3-Chloroalanine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
3-Hydroxyanthranilate	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
3-Hydroxykynurenine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
3-Iodotyrosine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
3-Methoxytyramine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
3-Methyladenine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
3-Methylguanine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
3-Methylhistidine	10.0	13	12	6.8	3.2	2.1	3.3	2.7	23	29	25	19	3.2	2.6	2.7	2.7
4-(beta-Acetylaminoethyl)imidazole	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	8.2	11	8.0	3.2	1.0	1.1	1.1	2.3
4-Amino-3-hydroxybutyrate	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	1.2	N.D.	2.0	N.D.	N.D.	N.D.	0.88	N.D.
4-Aminosalicylate	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
4-Hydroxymethylimidazole	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	2.6	N.D.	1.7	3.2	3.9	N.D.	2.4
4-Methyl-5-thiazoleethanol	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	1.5	1.5	1.3	N.D.
5,6-Dimethylbenzimidazole	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
5-Aminolevulinate	2.1	3.0	3.1	2.8	3.3	2.6	2.6	3.3	15	13	14	8.9	4.6	5.3	5.6	6.1
5-Aminovalerate	34	34	38	15	31	30	26	38	138	201	153	7.9	361	294	317	336
5'-Deoxyadenosine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
5-Hydroxyindoleacetate	92	100	81	55	30	N.D.	23	N.D.	752	824	804	645	22	N.D.	N.D.	25
5-Hydroxylysine	8.9	13	11	6.8	3.7	3.5	3.3	3.6	13	18	15	10	7.2	5.6	6.5	5.5
5-Hydroxytryptophan	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
5-Methoxyindoleacetate	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
5-Methoxytryptamine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
5-Methyl-2'-deoxycytidine	20	19	16	14	8.2	11	7.6	8.7	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
5-Methylcytosine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
5-Methyltetrahydrofolate	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	55	45	43	26	N.D.	N.D.	N.D.	N.D.
5-Methylthioadenosine	4.5	2.9	3.8	2.3	14	12	9.9	12	14	13	17	26	17	34	12	19
5-Oxoproline	91	130	161	46	81	78	69	81	40	48	32	66	44	52	30	29
6-Aminohexanoate	9.5	10	8.6	4.6	35	37	30	39	21	22	20	6.9	96	92	89	72
6-Hydroxynicotinate	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
6-Methylaminopurine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
7,8-Dihydrobiopterin	16	11	10	7.2	19	14	11	13	19	18	22	20	29	52	27	18
7,8-Dihydroneopterin	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
7-Methylguanine	22	16	16	15	15	14	11	12	26	24	26	27	16	19	14	18
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	KEGG ID	quantified m/z	Formula
Acetylcholine	C01996	146.1185	C7H16NO2
Adenine	C00147	136.0632	C5H5N5
Adenosine	C00212	268.1056	C10H13N5O4
ADMA	C03626	203.1511	C8H18N4O2
Agmatine	C00179	131.1295	C5H14N4
AICAR	C04677	339.0734	C9H15N4O8P
Ala	C00041	90.0564	C3H7NO2
Ala-Ala	C00993	161.0937	C6H12N2O3
Allantoin	C01551	159.0580	C4H6N4O3
Alliin	C08265	178.0544	C6H11NO3S
alpha-Aminoadipate	C00956	162.0775	C6H11NO4
alpha-Methylbenzylamine	C02455	122.0974	C8H11N
Alpha-Methylserine	C02115	120.0666	C4H9NO3
Amantadine	C06818	152.1449	C10H17N
Aniline	C00292	94.0660	C6H7N
Anserine	C01262	121.0704	C10H16N4O3
Anthranilate	C00108	138.0552	C7H7NO2
Arg	C00062	175.1213	C6H14N4O2
Arginine ethyl ester	C01404	203.1524	C8H18N4O2
Argininosuccinate	C03406	291.1326	C10H18N4O6
Asn	C00152	133.0609	C4H8N2O3
Asp	C00049	134.0466	C4H7NO4
Benzamide	C09815	122.0590	C7H7NO
Benzamidine	C01784	121.0772	C7H8N2
Benzimidazole	C02009	119.0616	C7H6N2
beta-Ala	C00099	90.0556	C3H7NO2
beta-Ala-Lys	C05341	109.5800	C9H19N3O3･HCl
beta-Cyanoalanine	C02512	115.0510	C4H6N2O2
beta-Imidazolelactate	C05568	157.0629	C6H8N2O3
Betaine	C00719	118.0872	C5H11NO2
Betaine aldehyde	C00576	102.0922	C5H12NO
beta-Leucine	C02486	132.1032	C6H13NO2
Betonicine	C08269	160.0981	C7H13NO3
Bis(3-aminopropyl)amine	C03375	132.1506	C6H17N3
Cadaverine	C01672	103.1237	C5H14N2
Canavanine	C00308	177.0999	C5H12N4O3
Carnitine	C00318	162.1136	C7H16NO3
Carnosine	C00386	114.0616	C9H14N4O3
Castanospermine	C02256	190.1084	C8H15NO4
Choline	C00114	104.1088	C5H14NO
Citrulline	C00327	176.1045	C6H13N3O3
Creatine	C00300	132.0784	C4H9N3O2
Creatinine	C00791	114.0674	C4H7N3O
Cyanocobalamin	C02823	678.2974	C63H88N14O14PCo
Cyclohexylamine	C00571	100.1133	C6H13N
Cys	C00097	122.0283	C3H7NO2S
Cys-Gly	C01419	179.0486	C5H10N2O3S
Cystathionine	C02291	223.0773	C7H14N2O4S
Cysteamine	C01678	78.0378	C2H7NS
Cysteine-glutathione disulphide	-	214.0571	C13H22N4O8S2
Cystine	C00491	241.0331	C6H12N2O4S2
Cytidine	C00475	244.0966	C9H13N3O5
Cytosine	C00380	112.0496	C4H5N3O
Desthiobiotin	C01909	215.1361	C10H18N2O3
Diethanolamine	C06772	106.0871	C4H11NO2
Dihydrouracil	C00429	115.0515	C4H6N2O2
DOPA	C00355	198.0783	C9H11NO4
Dopamine	C03758	154.0871	C8H11NO2
Ectoine	C06231	143.0829	C6H10N2O2
Epinephrine	C00788	184.0980	C9H13NO3
Ethanolamine phosphate	C00346	140.0135	C2H8NO4P
GABA	C00334	104.0712	C4H9NO2
gamma-Butyrobetaine	C01181	146.1184	C7H16NO2
gamma-Glu-2AB	-	233.1150	C9H16N2O5
gamma-Glu-cys	C00669	251.0716	C8H14N2O5S
gamma-Guanidinobutyrate	C01035	146.0935	C5H11N3O2
Gln	C00064	147.0783	C5H10N2O3
Glu	C00025	148.0626	C5H9NO4
Glucosaminate	C03752	196.0832	C6H13NO6
Glucosamine	C00329	180.0883	C6H13NO5
Glu-Glu	C01425	277.1063	C10H16N2O7
Glutathione(ox)	C00127	307.0888	C20H32N6O12S2
Glutathione(red)	C00051	308.0941	C10H17N3O6S
Gly	C00037	76.0406	C2H5NO2
Glycerophosphorylcholine	C00670	258.1121	C8H21NO6P
Gly-Gly	C02037	133.0633	C4H8N2O3
Gly-Leu	C02155	189.1266	C8H16N2O3
Gramine	C08304	175.1249	C11H14N2
Guanidinoacetate	C00581	118.0609	C3H7N3O2
Guanidinosuccinate	C03139	176.0676	C5H9N3O4
Guanine	C00242	152.0582	C5H5N5O
Guanosine	C00387	284.1015	C10H13N5O5
Harman	C09209	183.0934	C12H10N2
Hexylamine	C08306	102.1286	C6H15N
His	C00135	156.0783	C6H9N3O2
Histamine	C00388	112.0874	C5H9N3
Histidinol	C00860	142.0975	C6H11N3O
Homocarnosine	C00884	121.0704	C10H16N4O3
Homocysteine	C00155	136.0438	C4H9NO2S
Homocystine	C01817	269.0652	C8H16N2O4S2
Homoserine	C00263	120.0672	C4H9NO3
Hydroxyproline	C01157	132.0668	C5H9NO3
Hydroxyurea	C07044	77.0348	CH4N2O2
Hypotaurine	C00519	110.0281	C2H7NO2S
Hypoxanthine	C00262	137.0466	C5H4N4O
Ibotenate	C10600	159.0411	C5H6N2O4
Ile	C00407	132.1039	C6H13NO2
Imidazole-4-acetate	C02835	127.0513	C5H6N2O2
Indole-3-acetaldehyde	C00637	160.0635	C10H9NO
Indole-3-acetamide	C02693	175.0882	C10H10N2O
Indole-3-acetate	C00954	176.0708	C10H9NO2
Indole-3-ethanol	C00955	162.0954	C10H11NO
Inosine	C00294	269.0903	C10H12N4O5
Isoamylamine	C02640	88.1131	C5H13N
Isobutylamine	C02787	74.0978	C4H11N
Isonicotinamide	C02421	123.0563	C6H6N2O
Isopropanolamine	C05771	76.0765	C3H9NO
Kynurenine	C00328	209.0957	C10H12N2O3
Leu	C00123	132.1039	C6H13NO2
Leu-Leu-Tyr	C11331	408.2520	C21H33N3O5
Lys	C00047	147.1146	C6H14N2O2
Lysinamide	C01930	146.1288	C6H15N3O
Mannosamine	C03570	180.0915	C6H13NO5
Melamine	C08737	127.0739	C3H6N6
Melatonin	C01598	233.1295	C13H16N2O2
Met	C00073	150.0600	C5H11NO2S
Metformin	C07151	130.1101	C4H11N5
Methionine sulfoxide	C02989	166.0549	C5H11NO3S
Methionine sulfoximine	C03510	181.0651	C5H12N2O3S
Methylguanidine	C02294	74.0723	C2H7N3
Muramate	C06470	252.1098	C9H17NO7
Muscimol	C08311	115.0512	C4H6N2O2
N,N-Dimethylglycine	C01026	104.0718	C4H9NO2
N1,N12-Diacetylspermine	C03413	144.1278	C14H30N4O2
N1,N8-Diacetylspermidine	-	230.1866	C11H23N3O2
N1-Acetylspermidine	C00612	188.1772	C9H21N3O
N1-Acetylspermine	C02567	123.1222	C12H28N4O
N6,N6,N6-Trimethyllysine	C03793	189.1609	C9H20N2O2
N6-Methyl-2'-deoxyadenosine	C03795	266.1263	C11H15N5O3
N8-Acetylspermidine	C01029	188.1766	C9H21N3O
N-Acetylglucosamine	C00140	222.0970	C8H15NO6
N-Acetylglucosylamine	C01239	221.1121	C8H16N2O5
N-Acetylhistidine	C02997	198.0879	C8H11N3O3
N-Acetylornithine	C00437	175.1088	C7H14N2O3
N-Acetylputrescine	C02714	131.1186	C6H14N2O
N-Acetylvaline	-	160.0982	C7H13NO3
N-alpha,N-alpha-Dimethylhistidine	C04259	184.1077	C8H13N3O2
N-alpha-Benzenolarginine ethylester	C01670	307.1792	C15H22N4O3
n-Butyl a-Picolinate	-	180.1036	C10H13NO2
N-epsilon-Acetyllysine	C02727	189.1243	C8H16N2O3
N-gamma-Ethylglutamine	C01047	175.1092	C7H14N2O3
Nicotinamide	C00153	123.0563	C6H6N2O
Nicotine	C00745	163.1248	C10H14N2
N-Methylalanine	C02721	104.0713	C4H9NO2
N-Methylaniline	C02299	108.0817	C7H9N
N-Methylglutamate	C01046	162.0775	C6H11NO4
NMN	C00455	335.0672	C11H15N2O8P
N-omega-Methyltryptamine	C06213	175.1247	C11H14N2
Noradrenaline	C00547	170.0823	C8H11NO3
Nornicotine	C06524	149.1081	C9H12N2
o-Acetylcarnitine	C02571	204.1244	C9H18NO4
O-Acetylserine	C00979	148.0616	C5H9NO4
Octopine	C04137	247.1412	C9H18N4O4
Octylamine	C01740	130.1603	C8H19N
Ophthalmate	-	290.1367	C11H19N3O6
Ornithine	C00077	133.0983	C5H12N2O2
o-Succinylhomoserine	C01118	220.0813	C8H13NO6
p-Aminobenzoate	C00568	138.0556	C7H7NO2
Phe	C00079	166.0880	C9H11NO2
Phenethylamine	C05332	122.0976	C8H11N
Phenylethanolamine	C02735	138.0923	C8H11NO
Phe-Phe	-	313.1577	C18H20N2O3
Phosphorylcholine	C00588	184.0744	C5H15NO4P
Picolinamide	C01950	123.0562	C6H6N2O
Pipecolate	C00408	130.0871	C6H11NO2
Pro	C00148	116.0723	C5H9NO2
Proline betaine	C10172	144.1042	C7H13NO2
Pseudopelletierine	C10865	154.1240	C9H15NO
Pterin	C00715	164.0579	C6H5N5O
Purine	C15587	121.0525	C5H4N4
Purine riboside	C01736	253.0949	C10H12N4O4
Putrescine(1,4-Butanediamine)	C00134	89.1076	C4H12N2
Pyrazole	C00481	69.0449	C3H4N2
Pyridoxal	C00250	168.0678	C8H9NO3
Pyridoxamine	C00534	169.0983	C8H12N2O2
Pyridoxamine 5'-phosphate	C00647	249.0650	C8H13N2O5P
Pyridoxine	C00314	170.0827	C8H11NO3
Riboflavin	C00255	377.1407	C17H20N4O6
Saccharopine	C00449	277.1413	C11H20N2O6
SAH	C00021	193.0708	C14H20N6O5S
SAM+	C00019	200.0800	C15H23N6O5S
Sarcosine	C00213	90.0556	C3H7NO2
SDMA	-	203.1529	C8H18N4O2
Sepiapterin	C00835	238.0948	C9H11N5O3
Ser	C00065	106.0513	C3H7NO3
Serotonin	C00780	177.1030	C10H12N2O
S-Lactoylglutathione	C03451	380.1150	C13H21N3O8S
S-Methylmethionine	C03172	164.0751	C6H14NO2S
Spermidine	C00315	146.1662	C7H19N3
Spermine	C00750	102.1171	C10H26N4
Synephrine	C04548	168.1032	C9H13NO2
Taurine	C00245	126.0235	C2H7NO3S
Taurocyamine	C01959	168.0457	C3H9N3O3S
Tetrahydropalmatine	C02890	356.1890	C21H25NO4
Thiamine	C00378	265.1151	C12H17N4OS
Thiamine monophosphate	C01081	345.0826	C12H18N4O4PS
Thr	C00188	120.0671	C4H9NO3
Thymidine	C00214	243.0985	C10H14N2O5
Thymine	C00178	127.0411	C5H6N2O2
trans-Zeatin	C00371	220.1171	C10H13N5O
TRH	C03958	363.1806	C16H22N6O4
Trientine	C07166	147.1616	C6H18N4
Trigonelline	C01004	138.0549	C7H7NO2
Trimethylamine	C00565	60.0815	C3H9N
Trimethylamine N-oxide	C01104	76.0765	C3H9NO
Trimethylsulfonium	C01008	77.0427	C3H9S
Tropine	C00729	142.1241	C8H15NO
Tropinone	C00783	140.1079	C8H13NO
Trp	C00078	205.0989	C11H12N2O2
Tryptamine	C00398	161.1086	C10H12N2
Tyr	C00082	182.0830	C9H11NO3
Tyramine	C00483	138.0930	C8H11NO
Uracil	C00106	113.0373	C4H4N2O2
Urea	C00086	61.0408	CH4N2O
Uridine	C00299	245.0816	C9H12N2O6
Urocanate	C00785	139.0516	C6H6N2O2
Val	C00183	118.0878	C5H11NO2
Xanthine	C00385	153.0400	C5H4N4O2
Xanthopterin	-	180.0528	C6H5N5O2
Xanthosine	C01762	285.0853	C10H12N4O6
1-Amino-1-cyclopentanecarboxylate	C03969	130.0872	C6H11NO2
1-Aminocyclopropane-1-carboxylate	C01234	102.0557	C4H7NO2
1-Methyl-2-pyrrolidinone	C11118	100.0764	C5H9NO
1-Methyladenosine	C02494	282.1239	C11H15N5O4
1-Methylhistamine	C05127	126.1028	C6H11N3
1-Methylnicotinamide	C02918	137.0722	C7H9N2O
1,3-Diaminopropane	C00986	75.0919	C3H10N2
2,3-Diaminopropionate	C06393	105.0668	C3H8N2O2
2,4-Diaminobutyrate	C03283	119.0825	C4H10N2O2
2,4-Dimethylaniline	C11003	122.0975	C8H11N
2AB	C02356	104.0717	C4H9NO2
2-Aminobenzimidazole	C10901	134.0730	C7H7N3
2-Aminophenol	C01987	110.0612	C6H7NO
2'-Deoxycytidine	C00881	228.1013	C9H13N3O4
2'-Deoxyguanosine	C00330	268.1077	C10H13N5O4
2'-Deoxyinosine	C05512	253.0951	C10H12N4O4
2-Deoxystreptamine	C02627	163.1093	C6H14N2O3
2-Guanidinobenzimidazole	C10898	176.0966	C8H9N5
3,3',5-Triiodothyronine	C02465	651.7992	C15H12NO4I3
3,5-Diiodo-tyrosine	C01060	433.8773	C9H9NO3I2
3-Aminoisobutyrate	C05145	104.0714	C4H9NO2
3-Aminopropane-1,2-diol	C06057	92.0713	C3H9NO2
3-Aminopropionitrile	C05670	71.0614	C3H6N2
3-Chloroalanine	C02635	124.0168	C3H6NO2Cl
3-Hydroxyanthranilate	C00632	154.0495	C7H7NO3
3-Hydroxykynurenine	C02794	225.0891	C10H12N2O4
3-Iodotyrosine	C02515	307.9800	C9H10NO3I
3-Methoxytyramine	C05587	168.1031	C9H13NO2
3-Methyladenine	C00913	150.0786	C6H7N5
3-Methylguanine	C02230	166.0739	C6H7N5O
3-Methylhistidine	C01152	170.0936	C7H11N3O2
4-(beta-Acetylaminoethyl)imidazole	C05135	154.0979	C7H11N3O
4-Amino-3-hydroxybutyrate	C03678	120.0673	C4H9NO3
4-Aminosalicylate	C02518	154.0512	C7H7NO3
4-Hydroxymethylimidazole	C05562	99.0556	C4H6N2O
4-Methyl-5-thiazoleethanol	C04294	144.0504	C6H9NOS
5,6-Dimethylbenzimidazole	C03114	147.0933	C9H10N2
5-Aminolevulinate	C00430	132.0675	C5H9NO3
5-Aminovalerate	C00431	118.0858	C5H11NO2
5'-Deoxyadenosine	C05198	252.1115	C10H13N5O3
5-Hydroxyindoleacetate	C05635	192.0691	C10H9NO3
5-Hydroxylysine	C16741	163.1090	C6H14N2O3
5-Hydroxytryptophan	C00643	221.0939	C11H12N2O3
5-Methoxyindoleacetate	C05660	206.0815	C11H11NO3
5-Methoxytryptamine	C05659	191.1196	C11H14N2O
5-Methyl-2'-deoxycytidine	C03592	242.1189	C10H15N3O4
5-Methylcytosine	C02376	126.0674	C5H7N3O
5-Methyltetrahydrofolate	C00440	460.2108	C20H25N7O6
5-Methylthioadenosine	C00170	298.0987	C11H15N5O3S
5-Oxoproline	C01879	128.0367	C5H7NO3
6-Aminohexanoate	C02378	132.1030	C6H13NO2
6-Hydroxynicotinate	C01020	140.0365	C6H5NO3
6-Methylaminopurine	C08434	150.0785	C6H7N5
7,8-Dihydrobiopterin	C02953	240.1105	C9H13N5O3
7,8-Dihydroneopterin	C04874	256.1070	C9H13N5O4
7-Methylguanine	C02242	166.0736	C6H7N5O
METABOLITES_END
#END