#METABOLOMICS WORKBENCH kameiyasutomi_20190506_194029 DATATRACK_ID:1719 STUDY_ID:ST001179 ANALYSIS_ID:AN001956 PROJECT_ID:PR000791
VERSION             	1
CREATED_ON             	May 7, 2019, 12:25 pm
#PROJECT
PR:PROJECT_TITLE                 	Metabolomic analysis of skeletal muscle in young and aged mice
PR:PROJECT_SUMMARY               	To better understand the metabolic changes in skeletal muscle during aging, we
PR:PROJECT_SUMMARY               	performed a metabolomic analysis of skeletal muscle in young (8-week-old) and
PR:PROJECT_SUMMARY               	aged (28-month-old) mice using CE-TOFMS.
PR:INSTITUTE                     	Kyoto Prefectural University
PR:LAST_NAME                     	Kamei
PR:FIRST_NAME                    	Yasutomi
PR:ADDRESS                       	1-5 Hangi-cho, Shimogamo, Sakyo-ku Kyoto, Kyoto, Kyoto, 606-8522, Japan
PR:EMAIL                         	ran960116@yahoo.co.jp
PR:PHONE                         	+81-75-703-5661
#STUDY
ST:STUDY_TITLE                   	Metabolomic analysis of skeletal muscle in young and aged mice
ST:STUDY_SUMMARY                 	Sarcopenia is the age-induced, progressive loss of skeletal muscle mass and
ST:STUDY_SUMMARY                 	function, which results in poor muscle performance. To better understand changes
ST:STUDY_SUMMARY                 	in skeletal muscles during sarcopenia, we performed a metabolomic analysis of
ST:STUDY_SUMMARY                 	skeletal muscle in young (8-week-old) and aged (28-month-old) mice using
ST:STUDY_SUMMARY                 	CE-TOFMS. Our data shows that the metabolites including glucose and polyamine
ST:STUDY_SUMMARY                 	metabolism were decreased in aged mice compared with young mice. In addition,
ST:STUDY_SUMMARY                 	neurotransmitter levels were higher in aged mice.
ST:INSTITUTE                     	Kyoto Prefectural University
ST:LAST_NAME                     	Kamei
ST:FIRST_NAME                    	Yasutomi
ST:ADDRESS                       	1-5 Hangi-cho, Shimogamo, Sakyo-ku Kyoto, Kyoto, Kyoto, 606-8522, Japan
ST:EMAIL                         	ran960116@yahoo.co.jp
ST:PHONE                         	+81-75-703-5661
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
SU:GENOTYPE_STRAIN               	wild type
SU:AGE_OR_AGE_RANGE              	8-week-old and 28-month-old
SU:WEIGHT_OR_WEIGHT_RANGE        	25.4 ± 0.2 g for young and 32.0 ± 0.2 g for aged
SU:GENDER                        	Male
SU:ANIMAL_ANIMAL_SUPPLIER        	Shimizu Laboratory Supplies (Kyoto, Japan)
SU:ANIMAL_LIGHT_CYCLE            	12-h light-dark cycle
SU:ANIMAL_FEED                   	CE2
SU:SPECIES_GROUP                 	C57BL/6J
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	Young-1	Age:8w	
SUBJECT_SAMPLE_FACTORS           	-	Young-2	Age:8w	
SUBJECT_SAMPLE_FACTORS           	-	Young-3	Age:8w	
SUBJECT_SAMPLE_FACTORS           	-	Young-4	Age:8w	
SUBJECT_SAMPLE_FACTORS           	-	Young-5	Age:8w	
SUBJECT_SAMPLE_FACTORS           	-	Old-1	Age:28m	
SUBJECT_SAMPLE_FACTORS           	-	Old-2	Age:28m	
SUBJECT_SAMPLE_FACTORS           	-	Old-3	Age:28m	
SUBJECT_SAMPLE_FACTORS           	-	Old-4	Age:28m	
SUBJECT_SAMPLE_FACTORS           	-	Old-5	Age:28m	
#COLLECTION
CO:COLLECTION_SUMMARY            	Gastrocnemius muscles were collected and flash-frozen in liquid N2.
CO:SAMPLE_TYPE                   	Muscle
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	No specific treatment to mention.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Gastrocnemius muscles of 8-week-old male mice (N=5, young group) and
SP:SAMPLEPREP_SUMMARY            	28-month-old male mice (N=5, aged group) were used for the metabolomic analysis
SP:SAMPLEPREP_SUMMARY            	(Human Metabolome Technologies Inc., Tsuruoka, Japan). Frozen muscle specimens
SP:SAMPLEPREP_SUMMARY            	were transferred into 500 μL of methanol containing 50 mM external standard.
SP:SAMPLEPREP_SUMMARY            	After homogenization by BMSM10N21 (BMS, Tokyo) at 1,500 rpm for 120 s performed
SP:SAMPLEPREP_SUMMARY            	5 times, 500 μL of chloroform and 200 μL of ultrapure water were added to the
SP:SAMPLEPREP_SUMMARY            	homogenate. The solution was mixed well and centrifuged at 2,300 × g for 5 min
SP:SAMPLEPREP_SUMMARY            	at 4 °C. The resultant water phase was ultrafiltered using a Millipore
SP:SAMPLEPREP_SUMMARY            	Ultrafree-MC PLHCC HMT Centrifugal Filter Device, 5 kDa (Millipore, Billerica,
SP:SAMPLEPREP_SUMMARY            	MA). The filtrate was dried and then dissolved in 50 μL of ultrapure water. The
SP:SAMPLEPREP_SUMMARY            	samples obtained were then subjected to CE-TOFMS analysis using the Agilent
SP:SAMPLEPREP_SUMMARY            	CE-TOFMS system (Agilent Technologies, Santa Clara, CA) at 4 °C. The detected
SP:SAMPLEPREP_SUMMARY            	peaks were aligned according to their m/z values and normalized migration times.
SP:SAMPLEPREP_SUMMARY            	The peaks were mean-centered and scaled using their standard deviations on a per
SP:SAMPLEPREP_SUMMARY            	peak basis as a pretreatment.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	None (Direct infusion)
CH:INSTRUMENT_NAME               	none
CH:COLUMN_NAME                   	none
#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                   	-
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	fold
MS_METABOLITE_DATA_START
Samples	Young-1	Young-2	Young-3	Young-4	Young-5	Old-1	Old-2	Old-3	Old-4	Old-5
Factors	Age:8w	Age:8w	Age:8w	Age:8w	Age:8w	Age:28m	Age:28m	Age:28m	Age:28m	Age:28m
Urea	0.287599621	0.26409923	0.234294622	0.229508387	0.218531955	0.296106109	0.339586387	0.259119785	0.162260456	0.387001955
Ethanolamine	0.00126733	0.001204896	0.001446817	0.001318349	0.001368862	0.000804128	0.000992207	0.001161391	0.0024915	0.000895842
XC0001	0.000068556	5.92795E-05	3.97936E-05	0	4.00711E-05	0	0	0	0	0
Gly	0.123926184	0.11469103	0.140758486	0.108449177	0.116073671	0.08372462	0.102114987	0.102054807	0.086934674	0.062390029
Trimethylamine N-oxide	0.000559534	0.000494186	0.000525544	0.000555851	0.000551867	0.000722767	0.000713368	0.000597128	0.000306451	0.000860187
4-Methylpyrazole	0	0	0.000157837	0	0.000107863	0	0.000105495	0	0.000133874	0.000138861
Putrescine	0.000133162	0.000166755	0.00020278	0.000263165	0.000284794	0.000226209	0.000180567	0.000278973	0.000208322	0.000294031
β-Ala	0.006086193	0.00784155	0.007757955	0.00626067	0.006846053	0.005404896	0.004890269	0.004558951	0.0028018	0.004537008
Sarcosine	0.001418268	0.00122356	0.00141438	0.001519364	0.001326978	0.001091984	0.00092071	0.000998866	0.000652865	0.001031825
Ala	0.101164254	0.122208009	0.142220886	0.125909341	0.125992648	0.093919565	0.112475018	0.107963	0.094684026	0.104630175
Glycerol	0.08445494	0.06144942	0.080058329	0.053967898	0.051787319	0.047820813	0.080659963	0.07566278	0.058109663	0.077650437
1-Aminocyclopropane-1-carboxylic acid Homoserinelactone	0.000110097	0.000125209	0.000100387	8.97285E-05	0	0.000129326	0.00012833	8.42269E-05	0.000146824	0.000130707
2-Aminoisobutyric acid 2-Aminobutyric acid	0.001039044	0.001458461	0.001379335	0.000751946	0.001039366	0.00077919	0.000890652	0.000795935	0.000716953	0.001234321
GABA	0.000431215	0	0	0	0	0.000530397	0	0	0.000469779	0.00056192
N,N-Dimethylglycine	0.00070684	0	0	0	0	0.000808174	0	0	0	0
Choline	0.009525971	0.011429352	0.0109684	0.009031119	0.009386239	0.008048935	0.006884241	0.010232444	0.016837883	0.005868219
Ser	0.014789619	0.017794064	0.022915255	0.019263993	0.018709116	0.016991599	0.019350961	0.01717456	0.023835869	0.01717984
Diethanolamine	0.000157118	0.000222387	0.000313935	0.000171235	0.000159009	0.000702684	0.000754661	0.000383564	0.000362917	0.000304983
Hypotaurine	0.004155093	0.005103468	0.004426257	0.003625655	0.002887805	0.003532545	0.003975177	0.003579741	0.009307362	0.002578003
Histamine	0.000955005	0.001298857	0.000914451	0.000986496	0.000759942	0.002514345	0.002854493	0.002227341	0.003168342	0.002225614
Creatinine	0.004086664	0.003781229	0.004335902	0.003824922	0.003759369	0.003242482	0.003639431	0.003755348	0.00351002	0.004733428
Pro	0.024088132	0.033669376	0.035476136	0.026420912	0.028663332	0.024026674	0.028646631	0.024001129	0.026841328	0.02520804
Val	0.026417762	0.03816203	0.033494546	0.029692767	0.029840161	0.034111273	0.036628063	0.026485018	0.027756687	0.035040555
Betaine	0.010109525	0.013145596	0.011037487	0.008812625	0.008257066	0.009648143	0.011151462	0.010724917	0.016942155	0.00837907
Thr	0.016814888	0.025212363	0.027832144	0.023261768	0.020706296	0.023645171	0.023878491	0.01793402	0.018281779	0.022651062
Homoserine	0.00019643	0.000357893	0.000295877	0.000265884	0	0	0.000247541	0	0	0
Nicotinamide	0.01081095	0.012876872	0.010330966	0.013992926	0.013291394	0.011179231	0.013157034	0.010266792	0.010208881	0.011278205
Taurine	0.243772267	0.262383701	0.255182674	0.243106339	0.248392789	0.269103917	0.278780274	0.247790071	0.274935202	0.286509872
1-Methylhistamine	3.81008E-05	3.18922E-05	3.41757E-05	3.31465E-05	2.93318E-05	0.000188618	0.000200192	0.000117351	0.000167768	0.000151332
XC0016	0.00027913	0.000211089	0.00025488	0.000255267	0.000265865	0.000330597	0.000252867	0.000316995	0.000373795	0.00039244
Pipecolic acid	0.001399727	0.001370435	0.001374921	0.001477349	0.001329999	0.001368438	0.001930135	0.001277259	0.000863037	0.001748594
trans-Glutaconic acid	0.000678169	0	0	0	0	0.00063574	0.000742623	0	0.000516623	0.000885609
Hydroxyproline	0.029620461	0.032984409	0.030503535	0.030772617	0.025565036	0.009875824	0.013044973	0.009017243	0.009553056	0.009421208
Leu	0.020224848	0.031281107	0.025188642	0.023820532	0.021188022	0.028920963	0.029130551	0.023092226	0.025643718	0.031570147
Ile	0.012967661	0.018314994	0.014384433	0.013379911	0.011419127	0.017640139	0.015559927	0.015080228	0.014876549	0.016248583
6-Aminohexanoic acid	0.000165528	0.000417244	0.00032069	0.000222573	0.000267275	0	0	0	0	0
Asn	0.003513304	0.004317318	0.005524896	0.004601598	0.005040772	0.003788253	0.004347692	0.003695287	0.006189342	0.004400465
Gly-Gly	0.000205604	0.000172332	0.000203115	0.000158676	0.000262442	0.000178761	0.000149196	0.000272529	0.00028129	0.000263332
Creatine	0.074961909	0.07373407	0.065388317	0.077197944	0.073288459	0.071844103	0.070687112	0.065059339	0.069016108	0.070884377
Ornithine	0.001965442	0.003410321	0.003464254	0.002334302	0.002206865	0.001939883	0.002209704	0.00114528	0.001274427	0.002415639
Asp	0.005851981	0.0078221	0.00780029	0.007701765	0.00557512	0.005425421	0.010237172	0.007785287	0.005202422	0.005969747
S-Methylcysteine	0.000125962	0.000132717	0.000153022	0.000117372	0.000142967	0.000121822	0.000147299	0.000171289	8.93971E-05	0
Adenine	0.000424971	0.000392574	0.000386567	0.000327386	0.000350371	0.000452934	0.000307292	0.000317704	0.000412573	0.000353268
Hypoxanthine	0.000601267	0.000657151	0.00037493	0.000537271	0.000412592	0.000742629	0.000654784	0.000500399	0.000544227	0.000552726
1-Methylnicotinamide	0.00010328	0.000146804	9.61067E-05	0.000125788	0.000113703	7.83457E-05	5.29664E-05	9.32489E-05	6.06094E-05	0
Trigonelline	0.000474859	0.000428471	0.000448498	0.000524452	0.000321374	0.000402542	0.000559795	0.000344512	0.000293871	0.000654094
Urocanic acid	0.000326852	9.4461E-05	0	0.0001142	0.000128603	0	0.000266729	0.000184242	0.000285804	0
Stachydrine	0.002485728	0.001886646	0.001776201	0.00172038	0.001398663	0.002262535	0.002952838	0.002321621	0.002273409	0.002753798
4-Guanidinobutyric acid	0.000124114	0	0	0.000124817	0.000124979	0	0.000134896	0.000123859	0	0.000127749
Acetylcholine	0.000105637	0.000124494	0.000118244	9.43898E-05	0	0.000192885	0.000165757	0.000205444	0.000204178	0.000251421
γ-Butyrobetaine	0.003036215	0.002663643	0.002712322	0.002670363	0.002800347	0.002402307	0.003072633	0.002633654	0.004023091	0.002770026
Spermidine	0.000745515	0.001085908	0.000603927	0.000876634	0.000958082	0.000467426	0.000559941	0.000389622	0.000652273	0.000475981
Gln	0.103502485	0.111476495	0.12828388	0.106239046	0.113968964	0.130566443	0.135340071	0.13681359	0.163095519	0.127577985
Lys	0.033356381	0.045982343	0.048174723	0.042851787	0.035334871	0.038488701	0.038027148	0.018887711	0.034983198	0.030308886
threo-β-Methylaspartic acid	0	0	0	0.000472596	0	0	0	0	0	0
Glu	0.058472216	0.074330654	0.061790303	0.060153211	0.05571355	0.057547522	0.085588461	0.06166616	0.048693145	0.052871691
Met	0.004629633	0.006467969	0.007103801	0.004787594	0.005747084	0.006181071	0.006149497	0.004088325	0.005153875	0.005967269
Triethanolamine	6.18661E-05	0	0.00010246	0	0.000109407	7.09157E-05	0	9.78244E-05	0	0.000137102
His	0.009561396	0.010058345	0.011621216	0.010965656	0.009810308	0.011814751	0.01204744	0.01120579	0.017260225	0.012849565
N6-Methyllysine	0.001005276	0.001299572	0.001152946	0.001492368	0.001031781	0.000740201	0.000801718	0.000434152	0.000522692	0.000626514
O-Acetylhomoserine　2-Aminoadipic acid	0.000501491	0.000389357	0.000491702	0.000440486	0.00038185	0.000377972	0.000474582	0.000461734	0.000293353	0.000482776
Carnitine	0.02654812	0.029669764	0.027937079	0.029032233	0.02585238	0.018215704	0.028646047	0.021885339	0.028055072	0.026564514
5-Hydroxylysine	0.000129594	0.000181128	0.000163187	0.000201598	0.000132429	0.000180158	0.000233242	0	0.000103088	0.000187227
S-Methylmethionine	0	0	0	0	0	5.59087E-05	0	0	0	0
Methionine sulfoxide	0.000485945	0.000415385	0.000439001	0.000492536	0.00033802	0.000703861	0.000473852	0.000245721	0.000271817	0.000690948
Phe	0.011291925	0.01289861	0.011284609	0.010045647	0.011198098	0.012767405	0.015618146	0.011102423	0.017415486	0.017239078
Taurocyamine	0.000580942	0.000643708	0.000819415	0.000480689	0.00066604	0.00018391	0	0	0	0
1-Methylhistidine 3-Methylhistidine	0.001527856	0.001505369	0.001749783	0.00167202	0.001346712	0.001373588	0.001837189	0.001449	0.001249487	0.001842367
N5-Ethylglutamine	0.000695308	0.000780573	0.000853992	0.000612174	0.000779407	0.000677893	0.000746782	0.000558978	0.00058974	0.000542973
Arg	0.014760948	0.018598592	0.019430134	0.017103581	0.014700864	0.018663489	0.024447332	0.006968666	0.023159471	0.016602331
Diethylaminomalonic acid	0.000275753	0.000284027	0.00033333	0.000308741	0.000329026	0.000225547	0.000336986	0.000268018	0.000295721	0.000307061
Citrulline	0.009306541	0.010032388	0.009348965	0.007733292	0.007490211	0.007368247	0.010135836	0.006528972	0.011339888	0.007394732
Serotonin	2.42112E-05	0	3.05642E-05	2.50541E-05	0	0	5.63224E-05	4.18879E-05	3.88522E-05	4.23698E-05
Tyr	0.008856467	0.010866304	0.009004667	0.007010415	0.01190931	0.012013448	0.014779293	0.007836842	0.011827428	0.012615732
Phosphorylcholine	0.001716066	0.002216794	0.002081241	0.001838464	0.001442023	0.000897775	0.001388798	0.0010568	0.001274205	0.001407237
2-(Creatinine-3-yl)propionic acid	0	0	0	8.51321E-05	0	0	0	0	0	0
N8-Acetylspermidine	0	2.59571E-05	2.87584E-05	0	0	4.36235E-05	0	0	0	5.02042E-05
N-Acetyllysine	0	0	0	0	0	0	0.000261111	0.000251843	0.000352112	0
Nω-Methylarginine	5.90627E-05	0	0	0	0	0	9.0393E-05	0	0	0
N6,N6,N6-Trimethyllysine	0.000935254	0.001112866	0.001281623	0.001325212	0.001182333	0.001051524	0.001387339	0.001180401	0.001216851	0.001018314
Homocitrulline	0.000435484	0.000460864	0.000417666	0.000442946	0.000392254	0.000436088	0.000478594	0.00045516	0.000335017	0.000361662
Gly-Asp	0.000214779	0.000274159	0.000280562	0.000253778	0.000233312	0.000300068	0.000237181	0.000308166	0.000266267	0.000246384
ADMA	0.000181584	0.000160248	0.000180442	0.000154532	0.000148807	0.000165446	0.000190927	0.000130819	0.000164585	0.000131187
SDMA	0	6.87899E-05	7.96542E-05	8.13125E-05	8.79954E-05	0	0	7.66871E-05	8.02206E-05	0
Spermine	0.000182285	0.000228823	0.000164458	0.00021215	0.00022472	0.000101445	8.33162E-05	8.56447E-05	0.000160515	0.000108003
O-Acetylcarnitine	0.031543533	0.031716443	0.028250078	0.02839002	0.028306451	0.026123911	0.030100725	0.024906424	0.028712377	0.029898458
Trp	0.00219118	0.002279292	0.002071142	0.001695196	0.0018524	0.002334775	0.002682608	0.001908929	0.002950326	0.00261006
Carboxymethyllysine	0.00030366	0.000262288	0.000269259	0.000288737	0.000263114	0.00185146	0.001545801	0.001330296	0.001088972	0.001113846
XC0061	0.000548767	0.000592223	0.000449902	0.000554815	0.000446957	0.000360464	0.00049676	0.000305588	0.000390446	0.000401634
β-Ala-Lys	8.58861E-05	0.000162035	0.000164124	0.00012404	0.000106454	0	0.000107538	5.79342E-05	7.72604E-05	0
Cystathionine	0	0	7.23642E-05	9.51666E-05	0	0	0	0	0	0
Carnosine	0.081533537	0.080733909	0.110211546	0.070151146	0.089097621	0.088812603	0.090440719	0.084697874	0.070439283	0.10625086
2'-Deoxycytidine	7.26337E-05	5.56326E-05	6.21316E-05	4.9655E-05	5.17501E-05	4.67867E-05	5.46444E-05	6.20586E-05	6.10535E-05	7.23484E-05
Butyrylcarnitine	0.000104937	0.000191782	0.000333932	0	0.000229486	0	0.000114833	0	0.000232521	0.000160845
XC0071	0	4.06161E-05	0	6.24733E-05	0	0	0	0	5.10629E-05	0
Homocarnosine	0.048653098	0.043463502	0.054292578	0.038086788	0.04439403	0.073917211	0.081170658	0.081637414	0.089552721	0.097772021
Cytidine	0.000135838	0.000170187	0.000169407	0.00017389	0.000122831	0.000156765	0.000141535	0.000255452	0.000274778	0.000157328
Uridine	0.000275562	0.000238906	0	0.000226458	0.000210424	0.000229593	0.000212522	0.00022091	0.000255463	0
Isovalerylcarnitine	0	0	0.000192013	0	0	0	0	0	0	0
Malonylcarnitine	7.49274E-05	6.91475E-05	6.27335E-05	8.94048E-05	6.52414E-05	0	0.000105203	6.34763E-05	6.32736E-05	7.7145E-05
Pyridoxamine 5'-phosphate	0.000194837	0.000249846	0.000192013	0.000237269	0.000236936	0.000215469	0.000289491	0.000221877	0.000245546	0.00019666
Dyphylline	0.000816046	0.000554538	0.000583662	0.000592105	0.000449642	0.000489863	0.000526672	0.000521537	0.000481101	0.000784961
Glycerophosphocholine	0.002672219	0.00457739	0.003277859	0.003682431	0.003073461	0.003882857	0.004722834	0.005380212	0.00505582	0.004943758
Thiamine	0	0	2.12679E-05	1.92923E-05	0	3.81062E-05	3.58216E-05	0	0	3.90122E-05
Adenosine	0.000897791	0.001679132	0.000886161	0.00117424	0.000954659	0.00161451	0.001823911	0.001172926	0.001484599	0.001373741
Inosine	0.001112824	0.001380089	0.00070184	0.001025534	0.000770681	0.001847928	0.001489624	0.00119271	0.001292928	0.001519637
Glu-Glu	3.90565E-05	0	0	3.83904E-05	0	3.86211E-05	4.94644E-05	4.29834E-05	6.88239E-05	0
1-Methyladenosine	4.06494E-05	4.24753E-05	3.71184E-05	4.14331E-05	5.14145E-05	3.89154E-05	0	3.85369E-05	4.59566E-05	0
Guanosine	3.09012E-05	6.12817E-05	0	4.13036E-05	2.611E-05	6.40743E-05	7.28105E-05	6.0383E-05	0.000105678	5.40415E-05
Argininosuccinic acid	0.000183432	0.000185204	0.000162786	0.000149871	0.000126523	0.000304629	0.000439344	0.000115868	0.000306303	0.000263173
5'-Deoxy-5'-methylthioadenosine	4.21785E-05	3.51815E-05	4.76855E-05	3.19812E-05	2.29553E-05	5.25247E-05	3.97612E-05	3.42192E-05	4.92868E-05	3.30964E-05
Glutathione (GSSG)_divalent	0.023842515	0.01825314	0.026394824	0.025553018	0.024995852	0.030769406	0.030962851	0.027591374	0.023032184	0.024805047
Glutathione (GSH)	0.024655821	0.027571743	0.022896996	0.020643132	0.014902092	0.01736935	0.017878117	0.019729658	0.015428621	0.020432163
XC0132	0.000247592	0.000231254	0.000197229	0.000205676	0.000195254	0.000139183	0.000183339	0.000139068	0.000177388	0.000165882
XC0137	0.000112646	0.000113124	0.000147002	0.00010423	7.26247E-05	0.000163459	0.000193553	0.000107233	0.000139572	0.000185068
S-Lactoylglutathione	0.000376293	0.000459291	0.000198032	0.000355936	0.00020049	0.000200977	0.000198077	0.000359463	0.000202772	0.000217205
S-Adenosylhomocysteine	5.33284E-05	3.73268E-05	5.73162E-05	3.58008E-05	5.18844E-05	6.21616E-05	5.98243E-05	4.2919E-05	3.67801E-05	3.90921E-05
S-Adenosylmethionine	0.000509137	0.000462008	0.000449501	0.000467417	0.000366211	0.000631179	0.000588539	0.000628705	0.000637472	0.000522268
Cysteine glutathione disulfide	2.56766E-05	3.01045E-05	4.49434E-05	2.28529E-05	2.53717E-05	5.09799E-05	4.40657E-05	5.12966E-05	6.54937E-05	3.41357E-05
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	KEGG ID	HMDB ID	m/z	MT/RT
Urea	C00086	HMDB00294	61.0405014	26.3588007
Ethanolamine	C00189	HMDB00149	62.0606717	6.95835807
XC0001			72.0812725	6.986391625
Gly	C00037	HMDB00123	76.0396789	9.2373833
Trimethylamine N-oxide	C01104	HMDB00925	76.0757899	7.24439078
4-Methylpyrazole	C07837		83.0626208	7.38684046
Putrescine	C00134	HMDB01414	89.1075815	5.09492742
β-Ala	C00099	HMDB00056	90.0549846	8.10912915
Sarcosine	C00213	HMDB00271	90.0551165	10.6434836
Ala	C00041,C00133,C01401	HMDB00161,HMDB01310	90.0551323	10.10291705
Glycerol	C00116	HMDB00131	93.0545635	27.7356674
1-Aminocyclopropane-1-carboxylic acid Homoserinelactone	C01234,	,	102.0545084	7.847199067
2-Aminoisobutyric acid 2-Aminobutyric acid	C03665, C02261,C02356	HMDB01906, HMDB00452	104.0706811	10.8592794
GABA	C00334	HMDB00112	104.0705853	8.533229
N,N-Dimethylglycine	C01026	HMDB00092	104.07108	12.438948
Choline	C00114	HMDB00097	104.1069429	7.48810097
Ser	C00065,C00716,C00740	HMDB00187,HMDB03406	106.0500344	11.2719298
Diethanolamine	C06772	HMDB04437	106.0863056	8.4752299
Hypotaurine	C00519	HMDB00965	110.026783	22.0247577
Histamine	C00388	HMDB00870	112.0869694	5.17061522
Creatinine	C00791	HMDB00562	114.06632	8.0657088
Pro	C00148,C00763,C16435	HMDB00162,HMDB03411	116.0706549	12.2850687
Val	C00183,C06417,C16436	HMDB00883	118.086152	11.32642415
Betaine	C00719	HMDB00043	118.0862175	12.8555311
Thr	C00188,C00820	HMDB00167	120.0654625	11.9236353
Homoserine	C00263	HMDB00719	120.066084	11.383836
Nicotinamide	C00153	HMDB01406	123.0552519	8.17478805
Taurine	C00245	HMDB00251	126.0216285	27.7311887
1-Methylhistamine	C05127	HMDB00898	126.1027556	5.33537917
XC0016			129.065861	9.73467465
Pipecolic acid	C00408	HMDB00070,HMDB00716,HMDB05960	130.086101	11.6356084
trans-Glutaconic acid	C02214	HMDB00620	131.034624	29.0046326
Hydroxyproline	C01157	HMDB00725	132.065588	13.8172847
Leu	C00123,C01570,C16439	HMDB00687	132.101254	11.6945706
Ile	C00407,C06418,C16434	HMDB00172	132.101866	11.5622232
6-Aminohexanoic acid	C02378	HMDB01901	132.10277	9.2904336
Asn	C00152,C01905,C16438	HMDB00168	133.060628	11.8769504
Gly-Gly	C02037	HMDB11733	133.06087	9.3308093
Creatine	C00300	HMDB00064	133.078773	9.76250145
Ornithine	C00077,C00515,C01602	HMDB00214,HMDB03374	133.097215	7.46918771
Asp	C00049,C00402,C16433	HMDB00191,HMDB06483	134.04464	13.20133065
S-Methylcysteine		HMDB02108	136.0423289	13.21408983
Adenine	C00147	HMDB00034	136.06219	8.44404635
Hypoxanthine	C00262	HMDB00157	137.045873	12.6342731
1-Methylnicotinamide	C02918	HMDB00699	137.0712844	8.125602
Trigonelline	C01004	HMDB00875	138.054761	11.8424895
Urocanic acid	C00785	HMDB00301	139.0498357	9.207535429
Stachydrine	C10172	HMDB04827	144.101638	13.16686965
4-Guanidinobutyric acid	C01035	HMDB03464	146.0935383	9.210787
Acetylcholine	C01996	HMDB00895	146.1169111	8.432468944
γ-Butyrobetaine	C01181	HMDB01161	146.117115	9.0048193
Spermidine	C00315	HMDB01257	146.165278	4.89229595
Gln	C00064,C00303,C00819	HMDB00641,HMDB03423	147.076026	12.2149976
Lys	C00047,C00739,C16440	HMDB00182,HMDB03405	147.11226	7.56044284
threo-β-Methylaspartic acid	C03618		148.05963	14.158192
Glu	C00025,C00217,C00302	HMDB00148,HMDB03339	148.059984	12.4518708
Met	C00073,C00855,C01733	HMDB00696	150.058193	12.1805367
Triethanolamine	C06771		150.1124333	9.165276333
His	C00135,C00768,C06419	HMDB00177	156.076682	8.060134
N6-Methyllysine	C02728	HMDB02038	161.128366	7.82867274
O-Acetylhomoserine　2-Aminoadipic acid	C01077, C00956	, HMDB00510	162.075844	12.4874654
Carnitine	C00318,C00487,C15025	HMDB00062	162.112242	9.4955131
5-Hydroxylysine	C16741	HMDB00450	163.1075589	7.894920422
S-Methylmethionine	C03172		164.07446	8.071675
Methionine sulfoxide	C02989	HMDB02005	166.052206	13.5015974
Phe	C00079,C02057,C02265	HMDB00159	166.085607	12.64090455
Taurocyamine	C01959	HMDB03584	168.04351	27.72749833
1-Methylhistidine 3-Methylhistidine	, C01152	HMDB00001, HMDB00479	170.092493	8.2838573
N5-Ethylglutamine	C01047		175.107052	12.98563185
Arg	C00062,C00792	HMDB00517,HMDB03416	175.11874	7.84313321
Diethylaminomalonic acid			176.090774	10.11955685
Citrulline	C00327	HMDB00904	176.102808	12.59750315
Serotonin	C00780	HMDB00259	177.10251	9.732859286
Tyr	C00082,C01536,C06420	HMDB00158	182.080898	12.9711828
Phosphorylcholine	C00588	HMDB01565	184.073002	25.5067927
2-(Creatinine-3-yl)propionic acid			186.08904	12.684256
N8-Acetylspermidine	C01029	HMDB02189	188.1766	6.94934475
N-Acetyllysine	C12989	HMDB00446	189.1231733	11.0611915
Nω-Methylarginine			189.134285	8.2381135
N6,N6,N6-Trimethyllysine	C03793	HMDB01325	189.15928	7.92663097
Homocitrulline	C02427	HMDB00679	190.118356	12.7398797
Gly-Asp			191.065304	11.156263
ADMA	C03626	HMDB01539	203.148314	8.498608
SDMA		HMDB03334	203.1500367	8.658411083
Spermine	C00750	HMDB01256	203.223158	4.83436128
O-Acetylcarnitine	C02571	HMDB00201	204.122853	10.08734595
Trp	C00078,C00525,C00806	HMDB00929	205.096902	12.55528495
Carboxymethyllysine			205.118061	10.32871865
XC0061			218.138483	10.45774595
β-Ala-Lys	C05341		218.1499525	7.367965463
Cystathionine	C00542,C02291	HMDB00099	223.07475	11.173588
Carnosine	C00386	HMDB00033	227.113666	7.38683865
2'-Deoxycytidine	C00881	HMDB00014	228.098164	10.5901057
Butyrylcarnitine	C02862	HMDB02013	232.1542171	10.69296586
XC0071			234.1805933	6.805363567
Homocarnosine	C00884	HMDB00745	241.1292	7.48033602
Cytidine	C00475	HMDB00089	244.096415	10.90379525
Uridine	C00299	HMDB00296	245.0745613	27.80236488
Isovalerylcarnitine		HMDB00688	246.1701	10.961162
Malonylcarnitine		HMDB02095	248.1136156	11.55857378
Pyridoxamine 5'-phosphate	C00647	HMDB01555	249.063564	11.8724966
Dyphylline	C07819		255.106562	27.8367516
Glycerophosphocholine	C00670	HMDB00086	258.110056	27.1431808
Thiamine	C00378	HMDB00235	265.11215	7.23915932
Adenosine	C00212	HMDB00050	268.104158	11.1306891
Inosine	C00294	HMDB00195	269.088197	23.939773
Glu-Glu	C01425		277.100505	12.407973
1-Methyladenosine	C02494	HMDB03331	282.1178988	11.25763913
Guanosine	C00387	HMDB00133	284.0989144	14.41916156
Argininosuccinic acid	C03406	HMDB00052	291.130342	10.5867582
5'-Deoxy-5'-methylthioadenosine	C00170	HMDB01173	298.094776	11.410999
Glutathione (GSSG)_divalent	C00127	HMDB03337	307.083178	13.9906632
Glutathione (GSH)	C00051	HMDB00125	308.091128	15.3424702
XC0132			325.160731	9.67793415
XC0137			350.100882	15.6714096
S-Lactoylglutathione	C03451	HMDB01066	380.112982	16.0493595
S-Adenosylhomocysteine	C00021	HMDB00939	385.132064	9.72690675
S-Adenosylmethionine	C00019	HMDB01185	399.145569	7.84311385
Cysteine glutathione disulfide	C05526	HMDB00656	427.099232	13.3225852
METABOLITES_END
#END