#METABOLOMICS WORKBENCH Yujinlee0421_20210316_235207 DATATRACK_ID:2530 STUDY_ID:ST001728 ANALYSIS_ID:AN002813 PROJECT_ID:000000
VERSION             	1
CREATED_ON             	March 24, 2021, 2:44 pm
#PROJECT
PR:PROJECT_TITLE                 	Metabolomics and metagenomics of metformin
PR:PROJECT_SUMMARY               	Metformin affects the gut microbiome and altered microbiota may contribute to
PR:PROJECT_SUMMARY               	the hypoglycemic effect of metformin. Metabolomic analysis can be useful to
PR:PROJECT_SUMMARY               	elucidate the potential underlying mechanisms of the hypoglycemic effect
PR:PROJECT_SUMMARY               	according to the change in the microbiome and metabolites induced by the
PR:PROJECT_SUMMARY               	administration of metformin.
PR:INSTITUTE                     	Seoul National University
PR:DEPARTMENT                    	Department of Clinical Pharmacology and Therapeutics, College of Medicine and
PR:DEPARTMENT                    	Hospital
PR:LAST_NAME                     	Lee
PR:FIRST_NAME                    	Yujin
PR:ADDRESS                       	101 Daehak-ro, Jongno-gu, Seoul 110-799, Korea
PR:EMAIL                         	yoojinlee@snu.ac.kr
PR:PHONE                         	+821033804686
#STUDY
ST:STUDY_TITLE                   	Metabolomics and metagenomics of metformin (Urine)
ST:STUDY_SUMMARY                 	Metformin affects the gut microbiome and altered microbiota may contribute to
ST:STUDY_SUMMARY                 	the hypoglycemic effect of metformin. Metabolomic analysis can be useful to
ST:STUDY_SUMMARY                 	elucidate the potential underlying mechanisms of the hypoglycemic effect
ST:STUDY_SUMMARY                 	according to the change in the microbiome and metabolites induced by the
ST:STUDY_SUMMARY                 	administration of metformin.
ST:INSTITUTE                     	Seoul National University
ST:DEPARTMENT                    	Department of Clinical Pharmacology and Therapeutics, College of Medicine and
ST:DEPARTMENT                    	Hospital
ST:LAST_NAME                     	Lee
ST:FIRST_NAME                    	Yujin
ST:ADDRESS                       	101 Daehak-ro, Jongno-gu, Seoul 110-799, Korea
ST:EMAIL                         	yoojinlee@snu.ac.kr
ST:PHONE                         	+821033804686
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:GENDER                        	Male
#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           	R101	R101-P1	Gender:Male | Race:Asian | Group:Control	RAW_FILE_NAME=R101-P1_1
SUBJECT_SAMPLE_FACTORS           	R102	R102-P1	Gender:Male | Race:Asian | Group:Control	RAW_FILE_NAME=R102-P1_1
SUBJECT_SAMPLE_FACTORS           	R103	R103-P1	Gender:Male | Race:Asian | Group:Control	RAW_FILE_NAME=R103-P1_1
SUBJECT_SAMPLE_FACTORS           	R105	R105-P1	Gender:Male | Race:Asian | Group:Control	RAW_FILE_NAME=R105-P1_1
SUBJECT_SAMPLE_FACTORS           	R106	R106-P1	Gender:Male | Race:Asian | Group:Control	RAW_FILE_NAME=R106-P1_1
SUBJECT_SAMPLE_FACTORS           	R107	R107-P1	Gender:Male | Race:Asian | Group:Control	RAW_FILE_NAME=R107-P1_1
SUBJECT_SAMPLE_FACTORS           	R109	R109-P1	Gender:Male | Race:Asian | Group:Control	RAW_FILE_NAME=R109-P1_1
SUBJECT_SAMPLE_FACTORS           	R110	R110-P1	Gender:Male | Race:Asian | Group:Control	RAW_FILE_NAME=R110-P1_1
SUBJECT_SAMPLE_FACTORS           	R111	R111-P1	Gender:Male | Race:Asian | Group:Control	RAW_FILE_NAME=R111-P1_1
SUBJECT_SAMPLE_FACTORS           	R112	R112-P1	Gender:Male | Race:Asian | Group:Control	RAW_FILE_NAME=R112-P1_1
SUBJECT_SAMPLE_FACTORS           	R113	R113-P1	Gender:Male | Race:Asian | Group:Control	RAW_FILE_NAME=R113-P1_1
SUBJECT_SAMPLE_FACTORS           	R114	R114-P1	Gender:Male | Race:Asian | Group:Control	RAW_FILE_NAME=R114-P1_1
SUBJECT_SAMPLE_FACTORS           	R201	R201-P1	Gender:Male | Race:Asian | Group:Control	RAW_FILE_NAME=R201-P1_1
SUBJECT_SAMPLE_FACTORS           	R202	R202-P1	Gender:Male | Race:Asian | Group:Control	RAW_FILE_NAME=R202-P1_1
SUBJECT_SAMPLE_FACTORS           	R203	R203-P1	Gender:Male | Race:Asian | Group:Control	RAW_FILE_NAME=R203-P1_1
SUBJECT_SAMPLE_FACTORS           	R204	R204-P1	Gender:Male | Race:Asian | Group:Control	RAW_FILE_NAME=R204-P1_1
SUBJECT_SAMPLE_FACTORS           	R205	R205-P1	Gender:Male | Race:Asian | Group:Control	RAW_FILE_NAME=R205-P1_1
SUBJECT_SAMPLE_FACTORS           	R206	R206-P1	Gender:Male | Race:Asian | Group:Control	RAW_FILE_NAME=R206-P1_1
SUBJECT_SAMPLE_FACTORS           	R207	R207-P1	Gender:Male | Race:Asian | Group:Control	RAW_FILE_NAME=R207-P1_1
SUBJECT_SAMPLE_FACTORS           	R210	R210-P1	Gender:Male | Race:Asian | Group:Control	RAW_FILE_NAME=R210-P1_1
SUBJECT_SAMPLE_FACTORS           	R101	R101-P2	Gender:Male | Race:Asian | Group:Treated	RAW_FILE_NAME=R101-P2_1
SUBJECT_SAMPLE_FACTORS           	R102	R102-P2	Gender:Male | Race:Asian | Group:Treated	RAW_FILE_NAME=R102-P2_1
SUBJECT_SAMPLE_FACTORS           	R103	R103-P2	Gender:Male | Race:Asian | Group:Treated	RAW_FILE_NAME=R103-P2_1
SUBJECT_SAMPLE_FACTORS           	R105	R105-P2	Gender:Male | Race:Asian | Group:Treated	RAW_FILE_NAME=R105-P2_1
SUBJECT_SAMPLE_FACTORS           	R106	R106-P2	Gender:Male | Race:Asian | Group:Treated	RAW_FILE_NAME=R106-P2_1
SUBJECT_SAMPLE_FACTORS           	R107	R107-P2	Gender:Male | Race:Asian | Group:Treated	RAW_FILE_NAME=R107-P2_1
SUBJECT_SAMPLE_FACTORS           	R109	R109-P2	Gender:Male | Race:Asian | Group:Treated	RAW_FILE_NAME=R109-P2_1
SUBJECT_SAMPLE_FACTORS           	R110	R110-P2	Gender:Male | Race:Asian | Group:Treated	RAW_FILE_NAME=R110-P2_1
SUBJECT_SAMPLE_FACTORS           	R111	R111-P2	Gender:Male | Race:Asian | Group:Treated	RAW_FILE_NAME=R111-P2_1
SUBJECT_SAMPLE_FACTORS           	R112	R112-P2	Gender:Male | Race:Asian | Group:Treated	RAW_FILE_NAME=R112-P2_1
SUBJECT_SAMPLE_FACTORS           	R113	R113-P2	Gender:Male | Race:Asian | Group:Treated	RAW_FILE_NAME=R113-P2_1
SUBJECT_SAMPLE_FACTORS           	R114	R114-P2	Gender:Male | Race:Asian | Group:Treated	RAW_FILE_NAME=R114-P2_1
SUBJECT_SAMPLE_FACTORS           	R201	R201-P2	Gender:Male | Race:Asian | Group:Treated	RAW_FILE_NAME=R201-P2_1
SUBJECT_SAMPLE_FACTORS           	R202	R202-P2	Gender:Male | Race:Asian | Group:Treated	RAW_FILE_NAME=R202-P2_1
SUBJECT_SAMPLE_FACTORS           	R203	R203-P2	Gender:Male | Race:Asian | Group:Treated	RAW_FILE_NAME=R203-P2_1
SUBJECT_SAMPLE_FACTORS           	R204	R204-P2	Gender:Male | Race:Asian | Group:Treated	RAW_FILE_NAME=R204-P2_1
SUBJECT_SAMPLE_FACTORS           	R205	R205-P2	Gender:Male | Race:Asian | Group:Treated	RAW_FILE_NAME=R205-P2_1
SUBJECT_SAMPLE_FACTORS           	R206	R206-P2	Gender:Male | Race:Asian | Group:Treated	RAW_FILE_NAME=R206-P2_1
SUBJECT_SAMPLE_FACTORS           	R207	R207-P2	Gender:Male | Race:Asian | Group:Treated	RAW_FILE_NAME=R207-P2_1
SUBJECT_SAMPLE_FACTORS           	R210	R210-P2	Gender:Male | Race:Asian | Group:Treated	RAW_FILE_NAME=R210-P2_1
#COLLECTION
CO:COLLECTION_SUMMARY            	We recruited and included 20 healthy adult male subgects
CO:SAMPLE_TYPE                   	Urine
#TREATMENT
TR:TREATMENT_SUMMARY             	The subjects received oral metformin 1000mg twice daily.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Samples were extracted twice.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	GC
CH:INSTRUMENT_NAME               	Agilent 7890B
CH:COLUMN_NAME                   	Restek Rtx-5Sil MS (30 x 0.25mm, 0.25um)
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Leco Pegasus HT TOF
MS:INSTRUMENT_TYPE               	GC-TOF
MS:MS_TYPE                       	EI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	Leco® ChromaTOF-GC Software v4.72.0.0
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	intensity
MS_METABOLITE_DATA_START
Samples	R101-P1	R102-P1	R103-P1	R105-P1	R106-P1	R107-P1	R109-P1	R110-P1	R111-P1	R112-P1	R113-P1	R114-P1	R201-P1	R202-P1	R203-P1	R204-P1	R205-P1	R206-P1	R207-P1	R210-P1	R101-P2	R102-P2	R103-P2	R105-P2	R106-P2	R107-P2	R109-P2	R110-P2	R111-P2	R112-P2	R113-P2	R114-P2	R201-P2	R202-P2	R203-P2	R204-P2	R205-P2	R206-P2	R207-P2	R210-P2
Factors	Gender:Male | Race:Asian | Group:Control	Gender:Male | Race:Asian | Group:Control	Gender:Male | Race:Asian | Group:Control	Gender:Male | Race:Asian | Group:Control	Gender:Male | Race:Asian | Group:Control	Gender:Male | Race:Asian | Group:Control	Gender:Male | Race:Asian | Group:Control	Gender:Male | Race:Asian | Group:Control	Gender:Male | Race:Asian | Group:Control	Gender:Male | Race:Asian | Group:Control	Gender:Male | Race:Asian | Group:Control	Gender:Male | Race:Asian | Group:Control	Gender:Male | Race:Asian | Group:Control	Gender:Male | Race:Asian | Group:Control	Gender:Male | Race:Asian | Group:Control	Gender:Male | Race:Asian | Group:Control	Gender:Male | Race:Asian | Group:Control	Gender:Male | Race:Asian | Group:Control	Gender:Male | Race:Asian | Group:Control	Gender:Male | Race:Asian | Group:Control	Gender:Male | Race:Asian | Group:Treated	Gender:Male | Race:Asian | Group:Treated	Gender:Male | Race:Asian | Group:Treated	Gender:Male | Race:Asian | Group:Treated	Gender:Male | Race:Asian | Group:Treated	Gender:Male | Race:Asian | Group:Treated	Gender:Male | Race:Asian | Group:Treated	Gender:Male | Race:Asian | Group:Treated	Gender:Male | Race:Asian | Group:Treated	Gender:Male | Race:Asian | Group:Treated	Gender:Male | Race:Asian | Group:Treated	Gender:Male | Race:Asian | Group:Treated	Gender:Male | Race:Asian | Group:Treated	Gender:Male | Race:Asian | Group:Treated	Gender:Male | Race:Asian | Group:Treated	Gender:Male | Race:Asian | Group:Treated	Gender:Male | Race:Asian | Group:Treated	Gender:Male | Race:Asian | Group:Treated	Gender:Male | Race:Asian | Group:Treated	Gender:Male | Race:Asian | Group:Treated
Scyllo-inositol	0.775680133	0.676948141	0.914080825	0.974177724	1.059524914	1.45431027	0.547975976	0.806802568	0.850966239	0.345792855	0.407000644	0.833610251	0.887562585	0.985728461	0.550896979	0.897479566	0.640317419	0.707382908	0.901477048	0.536680276	0.560876329	0.434182067	0.625445316	1.161821012	1.115807835	1.187141427	0.407947345	1.085705385	0.662253868	0.257204525	0.488432927	0.785223836	0.46911833	0.669760276	0.320625712	0.594400592	0.415903087	0.824921909	0.554993259	0.453862589
Serine	8.574855878	15.57940148	8.060876688	33.45496355	9.813246766	9.07376719	6.154598504	11.98267502	8.060808781	9.835194307	9.410130267	9.223172424	10.08602716	13.27571224	10.74976895	9.423297726	12.30059599	18.27624846	8.236032357	10.86133293	6.696116957	8.601567291	6.196010096	21.97455448	9.180172449	11.1196796	3.32565889	7.863334716	5.34018039	9.34492491	5.833731609	6.438870405	5.144673458	8.189553508	4.673384429	3.127350818	5.275600805	14.6766768	4.914119344	5.653720898
L-Pyroglutamic acid	17.8172075	27.29139044	23.25616547	45.46598702	28.12769481	28.27028558	9.74520562	21.57531109	19.23587407	24.58387328	20.12796731	25.34961644	22.37312543	25.21545059	21.72293134	15.60610869	22.94960826	28.59621122	23.46421031	22.80839166	14.94191152	16.54130373	17.15857155	37.95698534	27.01267539	24.67682352	6.108041944	22.24705498	13.04650932	17.32116095	21.39053117	22.50382256	14.47583031	22.07908136	12.07570711	14.61163006	10.61468925	23.6804906	13.88478907	13.26769691
Threonine	1.549978696	5.183634962	1.412385824	9.8551552	1.909988368	1.209623461	2.11801635	3.613957725	2.449646836	3.512784965	3.893222801	2.153848123	2.722824963	3.38984987	2.58631553	2.630533017	3.204248508	5.148951171	2.132187608	3.545157124	1.137996281	1.82479985	1.196510919	4.974966476	1.695096847	2.045970943	0.820749227	2.089288947	1.446005345	2.284307552	1.558756575	1.264670914	1.14829846	1.617610561	0.844660668	0.773533094	1.133643388	2.928078011	1.121374317	1.483810528
Alanine	8.265814404	32.53437593	9.972632636	31.84141401	10.75003674	5.219543856	11.093171	19.17613157	18.49242295	23.73376852	10.02110679	11.88270606	16.24659128	20.90448736	12.84170058	16.9972658	23.85876249	34.66287725	20.98676199	23.4750568	6.835924321	14.93884862	7.640481327	20.63817045	11.81646053	8.37608961	6.672261429	18.93080335	17.1641099	14.15419418	6.874497406	9.246432648	9.670841776	13.16109926	5.698437995	7.074919597	11.0889429	18.21810093	10.72016901	14.03910146
Glycine	101.9929398	189.3034709	68.64092174	145.2499664	74.76009787	67.79065518	89.39391218	96.20092363	57.3755223	95.55608856	64.51163292	68.3951925	97.56042673	127.7289329	100.4400418	103.7045929	129.6350746	152.1519741	61.4306549	144.6978357	83.87790587	73.48447884	57.76887254	109.3970471	78.6370639	76.03665539	49.13191402	97.16398137	54.2559226	82.00753199	48.45210055	43.19762148	59.09373532	65.46019947	28.09194006	40.86687295	53.85274089	135.1321383	39.4266382	85.23916633
β-Alanine	1.605236055	1.797953315	1.636356386	2.089572844	1.929059761	1.192518778	1.78205626	1.723477888	2.149808677	1.699645325	2.823957389	2.352088016	2.538020577	2.011649844	2.602640389	3.102117068	1.466029419	1.981273094	1.918309358	1.907054688	1.424406661	1.098630918	1.511163247	1.836754425	1.629732523	0.879798304	1.931917482	1.669070908	1.554458004	1.592442018	1.766762968	1.58082461	2.06792711	1.484440398	1.364946837	1.688816152	1.763930071	1.21214126	1.576381185	1.826815678
Valine	1.411465084	1.956069051	1.614215437	2.464203135	1.932763693	2.582429769	0.928585779	1.349055839	1.752525121	2.09609742	1.173389348	2.095074814	1.662784472	2.791353416	1.285288051	1.608335186	1.685480672	2.353457355	2.587317262	1.415052904	1.29513566	1.725595098	1.336112911	2.869971375	2.092078917	2.094930642	0.773931889	1.411991258	1.659670181	1.621890252	1.206116681	1.802877398	1.164919913	1.794438889	0.962031506	1.166249096	0.82466792	1.738014102	1.615549379	1.330527267
Lysine	2.990877941	3.377914888	5.19794771	3.582859451	2.703973278	2.436808151	2.416150638	2.671435421	2.44033924	2.295166462	13.21863019	3.864476095	16.15345496	2.676869424	2.447303054	1.818326416	3.797266772	1.939948223	2.434665142	8.681269246	2.384698425	2.293902906	2.178979473	2.767566568	2.092192799	7.175230737	1.203203562	1.694450543	1.622268806	1.845833742	5.359530463	2.489333965	3.798255014	0.890060134	1.30281895	0.682883668	1.376782072	1.486386559	1.501994062	4.504669665
Phenylalanine	0.754093364	1.294743086	1.174724563	1.943238476	1.008879829	0.902210333	0.41644116	0.417781807	0.947726683	0.638474435	0.972686068	0.97335045	1.520831786	1.042394392	0.490234259	0.581642498	0.636144847	1.08105482	0.601418738	1.088149306	0.645866173	1.203746788	0.896182555	2.130239723	1.08028179	0.97996178	0.374971556	0.317817945	0.886427043	0.758092242	0.748411902	0.820564064	0.646345272	0.810331252	0.445648882	0.267794926	0.361449005	1.134541758	0.534083576	0.871641448
Hippuric Acid	8.398577173	3.072109499	20.41909735	3.652564468	9.471888222	9.49999644	2.135500502	6.14074981	1.924649676	15.10780759	9.96701402	6.508398372	2.426000195	9.030258821	2.729792258	4.045156224	11.09136211	2.98958321	2.039761529	2.889681764	35.53465853	49.68532765	46.26738312	45.82191392	22.89629939	101.334268	19.83781955	9.614929569	2.168539191	29.62444924	34.67191026	36.97686578	26.23752848	47.28517789	62.26631265	39.00694844	38.37944927	62.97226889	27.75146937	21.73834779
Glyceric acid	0.097702381	0.139155419	0.17362345	0.155785153	0.114904013	0.142390574	0.055028604	0.112114266	0.129438782	0.128711714	0.072784321	0.11917175	0.104379484	0.126658649	0.097345258	0.088639883	0.145779709	0.117478498	0.148785548	0.124363204	0.065190777	0.068531621	0.115504378	0.143717042	0.090579632	0.11562032	0.038571373	0.086598382	0.067280155	0.062146138	0.070442504	0.074191145	0.065694183	0.07341943	0.037400796	0.062458807	0.056587351	0.078653346	0.068914612	0.089061095
D-Galactose	14.69425942	13.79480092	25.66698212	25.20020754	21.717072	22.13982964	10.07842343	54.56433405	69.52707846	43.08996859	3.587329612	116.363519	18.40475868	32.23256779	18.70188732	22.45768203	59.07031804	95.12175721	92.0844254	24.37606741	5.872663468	4.825017462	9.815141669	2.803895566	1.960328568	5.345467569	2.659297247	11.81568934	1.43911545	1.057633168	1.097497442	12.76712919	4.36437552	2.325433701	0.886580487	5.133856272	1.529155774	23.96861914	5.022126285	3.249133511
Ribonic acid	0.439645044	0.4792032	0.603140626	0.499764751	0.82667928	0.565896677	0.217473899	0.384642428	0.455071225	0.503087683	0.357539732	0.553700524	0.527282319	0.623046637	0.495843803	0.476401133	0.403485755	0.54744328	0.504788187	0.447808725	0.354699939	0.407636403	0.452417584	0.570471513	0.675856566	0.513734872	0.184636988	0.455669683	0.364242405	0.298769631	0.370594852	0.500470141	0.34981781	0.456774852	0.277900511	0.345843609	0.229465696	0.58539263	0.357129303	0.329274104
D-Glucuronic acid	2.481373324	2.599416509	3.723607543	2.340091954	4.030415381	3.81361908	1.041815897	2.306536729	2.866891155	2.71074241	2.079934584	3.751416391	2.89958992	3.072532815	2.094258582	2.564029017	2.565681685	4.152760679	2.942925596	2.425802284	1.866139252	2.108483834	2.727267318	2.60727398	3.589852033	3.49580758	0.865220303	2.530360301	2.059647879	1.953472049	2.360113096	3.296068726	2.001297521	2.696208141	1.490325864	1.890417356	1.767561074	4.445874396	2.392202464	2.081904005
Threonic acid	0.990294386	0.862988182	1.305210566	0.904846883	1.537367377	1.475643218	0.424853049	1.048436112	0.921385005	0.716654678	0.628485237	1.145453442	1.102644757	1.005361375	0.835088027	0.854790056	0.763072516	1.097323875	0.97291467	0.858869491	0.761477305	0.621339254	0.823233785	0.872144153	1.308818385	1.273511231	0.399866065	0.956846468	0.625961161	0.513668499	0.746359056	0.979562321	0.773577485	1.032047246	0.758303455	0.785733434	0.442070988	1.390123345	0.702059839	0.537798251
1,5-Anhydrosorbitol	0.22464193	0.198481502	0.225483844	0.24200646	0.334412342	0.286882536	0.07432207	0.127286352	0.178227098	0.161777203	0.145153862	0.213138699	0.187554131	0.197284544	0.167580155	0.158257118	0.16717421	0.174883239	0.155146156	0.231227503	0.212757847	0.262097495	0.28409517	0.372543362	0.37785991	0.364099788	0.076285626	0.160647648	0.200607794	0.157685754	0.204490948	0.295043831	0.234179273	0.275587501	0.188980908	0.206547525	0.127160297	0.30941849	0.154215702	0.2084852
Adonitol	8.18175551	9.077089052	13.1549468	7.470048345	11.49187185	10.94068569	3.671727683	6.079370068	6.019399981	6.006949604	4.700790214	8.278813202	7.483270294	7.969018979	7.015193015	7.327164993	5.624282648	7.156440538	7.227144384	5.243262497	5.604193153	6.440897233	6.872759764	7.401134614	8.669333368	11.00754504	3.100685356	6.999243333	5.681768575	4.946769615	5.407280871	7.553624095	4.385851411	7.946638857	4.811756258	5.808772977	4.155190913	8.882584437	6.185896461	4.013530373
2,3-Dihydroxybutyric acid	1.237397425	1.38092753	2.871375993	1.574202281	1.76773355	5.768694107	0.460439379	1.014595609	1.322587161	1.60984383	0.985115376	1.706335851	1.5791404	0.973482782	1.517609395	1.31811111	1.539040688	2.227337079	1.36283442	1.082675663	2.209768502	3.947610001	3.180612211	3.123197575	2.762131328	4.952135735	0.493932827	1.337626092	0.888176102	2.056869812	3.263840148	2.607077645	1.034834556	1.993035579	1.5418639	2.166844793	0.841230047	5.136676263	1.186521529	1.325441329
2,4-Dihydroxybutyric acid	5.191827382	6.065411918	7.463882386	5.506192953	7.476647352	6.157862595	2.662458417	4.46796679	4.801679049	4.510292214	3.301557569	5.299437839	4.089582819	5.010816766	3.997719496	3.755097801	4.733382791	5.989700368	5.505119611	3.978646824	3.210769128	2.641361012	3.743531843	4.836050852	4.542248386	4.616415935	1.686222593	4.232197071	2.895032763	2.944051558	3.344901043	4.193411206	2.849584979	3.570586674	2.081857665	3.090594127	2.540380772	5.644809472	3.097929133	2.545212689
Glycolic acid	13.19257375	25.86408594	26.48702959	26.87663515	25.12197987	17.72362691	18.3850331	16.61437752	18.19687648	28.49648468	15.48917833	20.27602916	21.19965045	25.89552787	25.13790802	13.36357933	29.49402828	22.21954148	32.17649503	23.69150626	23.08689195	13.25166835	16.73208465	24.88217629	16.6458392	12.58062616	15.03491232	14.15728747	13.14854029	15.89901591	14.78621925	12.37995877	11.32266394	10.66687392	11.31332279	10.63941732	11.62216321	15.21613421	18.02665053	18.82624471
Lactic acid	5.412652917	3.128208236	4.718565218	3.630424076	6.379145488	7.012492949	4.213350371	2.890224426	4.727635331	5.135509216	3.265580727	6.882984397	8.521353685	5.18041623	4.293527288	3.396022246	3.87237428	4.94220332	5.735513101	3.797922862	3.836522853	0.753809808	1.794122188	1.592948745	2.72475677	0.8295481	2.711076699	2.88220833	4.372413203	5.412312581	1.664739034	1.350409905	2.126540286	1.922309048	5.750517364	2.028910532	2.856627846	1.334422788	4.718337661	4.751791158
3,4-Dihydroxybutyric acid	0.847840661	1.088480421	1.697961448	0.964827701	1.208007067	1.500115393	0.541507047	0.728195297	0.822818487	0.820155383	0.556601821	0.852151437	1.240301571	0.987207913	0.84765425	0.900223607	0.793824373	0.927666845	0.990600358	0.751663867	0.636846907	0.684471386	0.983008921	1.043307993	0.986083864	1.109890331	0.38317989	0.913686563	0.539853705	0.725469092	0.756210659	0.845910944	0.703040804	0.747238834	0.40172993	0.637928121	0.522526779	1.135161927	0.699985132	0.667802668
Hypoxanthine	0.309718244	0.231342164	1.050711931	0.306334349	0.646549206	0.535724281	0.127839482	0.194997637	0.387281588	0.224559761	0.322335311	0.30239439	0.313399593	0.356534529	0.208628722	0.174327952	0.183102739	0.275310086	0.365460672	0.232699259	0.563707814	0.942000072	0.640091862	1.162147273	1.337000674	0.647429764	0.281106052	0.321547152	1.646872928	0.45172151	0.762569647	0.684445881	0.550215289	1.002830688	0.92150056	0.778732294	0.27662947	0.957814531	0.552645765	0.345739118
3-Hydroxyisobutyric acid	3.224301166	8.810329105	9.825342598	8.844899805	3.157581813	16.1783714	3.436500008	4.32899226	8.894991532	11.62087407	4.373876522	6.548863035	9.39266347	8.533970114	3.549503578	3.255850266	7.976783439	8.889788203	11.85852848	8.009246713	4.148647478	8.657072586	6.340180394	8.842169217	3.249079652	6.760521649	2.480615401	3.538784801	6.499354671	4.481019557	4.48919244	4.62481018	3.116210958	5.246776979	1.775261715	2.809275181	2.709098851	5.298186662	4.85868165	7.14365441
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	PubChem	KEGG
Scyllo-inositol	892	C06153
Serine	5951	C00065
L-Pyroglutamic acid	7405	C01879
Threonine	6288	C00188
Alanine	5950	C00041
Glycine	750	C00037
β-Alanine	239	C00099
Valine	6287	C00183
Lysine	5962	C00047
Phenylalanine	6140	C00079
Hippuric Acid	464	C01586
Glyceric acid	439194	C00258
D-Galactose	439357	C00984
Ribonic acid	5460677	C01685
D-Glucuronic acid	94715	C00191
Threonic acid	151152	C01620
1,5-Anhydrosorbitol	64960	C07326
Adonitol	-	C00474
2,3-Dihydroxybutyric acid	-	-
2,4-Dihydroxybutyric acid	192742	-
Glycolic acid	757	C03547
Lactic acid	61503	C00186
3,4-Dihydroxybutyric acid	-	-
Hypoxanthine	790	C00262
3-Hydroxyisobutyric acid	87	C06001
METABOLITES_END
#END