metabolite_name	3_3	3_4	3_5	3_6	3_7	3_8	3_9	4_1	4_2	4_3	4_4	4_5	4_6	4_7	4_8	15_3_2	15_3_3	15_4_4	15_4_5	16_3_2	16_3_3_1	16_3_3_2	16_3_4	16_3_5	16_3_6	16_4_3	16_4_4	16_4_5_1	16_4_5_2	16_4_6_1	16_4_6_2	MG14_1	MG14_2	MG15_2	MG15_3	MG15_4	MG15_5	MG16_E3_1	MG16_E3_1_1	MG16_E3_2	MG16_E4_1	MG16_E4_2	MG16_E4_4
Pyruvic acid	1.075005287	1.307563755	0.850157968	1.143939537	0.757171823	0.771286364	1.094875265	1.057959821	1.386318675	1.949709348	1.737843715	0.876002519	0.759773517	0.55194656	0.435169431	0.790538825	0.526283806	0.744023877	0.638050102	0.522090274	1.372260747	0.704697812	1.482128186	1.394491489	1.20750886	1.149944165	1.366513247	1.173885826	1.241876597	0.876226441	0.629473092	0.306548474	0.309233873	1.6404253	1.743792352	2.896060313	2.110286641	1.216212168	0.887865635	0.895922197	1.169386373	1.18885057	1.052177706
Lactic acid	1.000686096	1.276582118	0.880825999	1.275338035	0.752240507	0.704722044	1.109605201	1.268241209	2.378055749	2.08047025	2.808108275	1.097393238	0.889286376	0.680821958	0.71456864	0.908240633	0.752527851	1.127837559	0.970617687	0.573351967	1.244880916	0.846303122	1.209877485	1.315582863	1.149235162	0.979846417	1.323139349	0.984780419	1.308502308	1.296658537	0.985770741	0.92194443	0.917996469	1.012170452	1.147888649	1.525714396	1.102127684	0.993133856	1.02105803	0.985808114	1.736920527	1.666035153	1.25176817
Acetohydroxamic acid	0.531459659	0.790183023	1.45582704	1.159388408	0.715063482	0.837850966	1.510227421	0.798788384	0.906059704	1.077311484	0.995315745	0.935988794	0.581511205	1.059654809	0.972179665	1.334531575	1.037285893	1.290850687	0.770453315	0.547366229	1.175097774	0.579297644	1.048126055	1.207309537	1.070985292	0.861019699	1.148549674	0.520987186	1.163363597	1.371773497	0.864758306	0.743208358	0.854679779	0.986201326	1.415910537	2.34314772	1.510722014	1.18554166	0.931157163	0.883301177	1.189903863	1.045963854	0.736868481
Leucine	1.019790114	1.232011356	0.775281503	1.407841053	0.795807687	0.779435734	0.989832553	0.75934157	2.028259356	1.76790643	2.489187658	0.947108366	0.864571729	0.559507508	0.59338612	0.804701717	0.628961355	0.805822582	0.936274187	0.71735119	1.170884072	1.042505898	1.196534698	1.213940385	1.225120685	0.940267341	1.255877968	1.113879426	1.475692387	1.164351153	0.986137498	0.734428339	0.981725017	0.98030921	1.303537434	1.689195394	0.953286398	1.149685222	1.003675462	0.846639316	1.321157951	1.190509506	0.849818476
Isoleucine	1.122984768	1.140628293	0.810486973	1.44292813	0.833289188	0.730860823	0.918821825	0.599683095	1.91727525	1.571283296	1.92178108	0.835586533	0.863496437	0.511851892	0.649918732	0.905609673	0.622049268	1.087205255	0.977413057	0.575592808	1.24332629	0.909392531	1.149961813	1.343296834	1.250770784	1.075941066	1.343126789	1.17098231	1.332931386	1.28511263	0.70667612	0.699502547	0.801414523	1.373735818	1.125347112	1.623085313	1.455163346	0.911097147	1.006554803	1.082348049	1.395312871	1.631471429	0.933729511
Valine	1.101364521	1.624042728	0.844394705	0.932397624	0.756002701	0.885738512	0.856059209	1.147996188	1.421305817	2.087678431	1.855589448	0.919614819	0.659967732	0.546460378	0.51279289	0.75495247	0.768725786	0.89989236	0.999641074	0.827006998	1.037344577	1.021427652	1.104075106	1.164699229	1.321768182	0.941737384	1.306710237	1.068054178	1.424034129	1.139681132	1.751051881	0.698758566	0.657230552	1.183405843	1.460605039	1.861789675	1.67073038	1.332440479	0.714809376	0.952750145	0.944533503	1.263212527	1.085016922
Urea	1.218992065	1.321756979	0.755968797	1.24962206	0.759117344	0.731389277	0.963153478	1.227247727	2.470822017	2.325627926	2.817748675	0.932084477	0.768743073	0.576974403	0.570962248	0.922954281	0.721646394	0.746008346	0.786696392	0.664384541	1.106430292	0.77939213	1.397908795	1.158858821	1.248424746	1.022327014	1.48398822	1.004014209	1.370078124	1.141952568	1.202235044	0.499629078	0.597414748	1.262089074	1.640867101	1.821277671	1.202249761	1.03072099	0.903905721	1.065373289	1.329068731	1.433967389	1.336434538
Glycine	0.997200061	1.235396373	0.929950669	1.087736805	0.775266427	0.830682176	1.143767488	0.978302978	1.5550626	1.633549697	1.87805504	1.006317376	0.833926488	0.72172131	0.671296437	1.124925605	1.089265986	0.949230845	1.063679538	0.742637094	0.987130281	1.360222734	0.928927976	0.909526201	0.857364123	0.704402384	0.991522416	0.809452596	1.50151975	0.906281427	1.34036	0.914553976	0.898481919	1.001711944	1.185252161	1.507576119	0.983615185	1.072441953	0.963456817	0.96410123	1.460285766	1.529818483	1.176223674
Itaconic acid	1.047996973	1.231346505	1.161464449	1.199396465	0.566474105	0.700199253	1.093122249	0.207050705	0.240273545	0.363668199	0.321624463	0.320247852	0.239129019	0.250648954	0.219224522	1.648895052	1.535039688	0.416915223	0.454552822	0.396417158	0.872742772	0.766432629	0.814006786	1.14285434	0.823611574	0.571790332	0.386919011	0.609531934	0.323162308	0.525386736	0.569730754	0.265361343	0.316603477	1.730452582	1.687582599	1.538803631	1.365240949	1.149995547	0.736906682	1.113097771	0.766710166	0.772403097	0.722733544
Glyoxylic acid	0.579530046	1.075761306	0.878850439	1.18049748	0.53300353	0.973812408	1.778544791	1.008842522	1.092606415	1.181566501	1.240176853	0.735784456	0.839821291	1.199439564	0.936207997	1.005588745	1.140555054	1.088095234	0.825542817	0.519250931	1.134735755	0.745668461	0.902997208	1.196872258	1.354331587	0.766566129	1.315921247	0.681221453	0.947608729	1.29956409	1.029467348	0.860386184	1.028231009	0.794639665	1.316743142	1.555759494	0.908988409	1.253359905	0.868085225	0.87855487	1.405791883	1.040249496	1.156644761
Fumaric acid	1.020859033	1.17334164	0.940385554	0.828786185	0.795601754	0.939435723	1.301590111	0.72433618	0.832711799	1.180139811	1.153657132	1.003410172	0.842394295	0.83441767	0.69040402	1.131644603	0.928214662	0.964130712	1.01633895	0.514370709	1.323012776	0.740951404	1.039855937	1.250865493	1.071084415	0.807154464	0.942557852	0.764785067	0.721928543	0.886681844	0.689907566	0.71631059	0.701746331	1.289519946	1.292423133	1.27741283	0.886848769	0.317461098	1.205023473	1.477515429	1.490903392	1.526119906	0.571656541
Threonine	0.82380208	1.447885772	0.73124526	1.246122678	0.761396229	0.790570466	1.198977515	1.249125503	2.369592328	2.260820401	3.047666403	1.119008302	0.941853113	0.622634685	0.559433915	0.874711522	0.790340054	0.702316818	0.845449071	0.708893263	1.205962512	1.013012424	1.471434111	0.995410835	0.940235279	0.97826259	1.327561479	1.135386494	1.385098062	1.164318665	1.117795664	0.618559328	0.612036722	1.167251674	1.602152276	2.139866171	1.475790056	1.034092845	0.822689628	1.143217528	1.3693889	1.505120264	1.369920059
beta-Alanine	0.721270765	1.00954121	1.1697358	0.964868712	0.781784214	0.991782849	1.361016449	0.686217028	0.623514202	0.991470304	0.819326868	0.935025642	0.652235157	0.775158203	0.637946031	1.483762659	1.259891271	1.072283264	1.077974355	0.880489282	0.829121848	1.339052808	0.647981642	0.831308496	0.728391995	0.462855352	0.634906188	0.469292847	1.555445346	0.583125643	1.488928084	1.362630058	1.267939132	0.650731171	0.718699639	0.726617558	0.46005181	0.638409346	1.12490821	1.236682443	1.453487678	1.45598603	1.630318097
Malic acid	1.04376974	1.108892205	0.96741464	0.907222843	0.804506856	0.953749751	1.214443964	0.95470999	1.06902449	1.50745013	1.465079061	1.287311032	1.074267754	0.934934541	0.9421141	1.134096507	0.929218288	1.072312419	1.090812948	0.452894556	1.211401249	0.686577331	1.12178507	1.278822315	1.185204683	0.701273555	0.901000442	0.834678399	0.657931199	0.911251384	0.566759321	0.824212335	0.810838258	1.147041457	1.21790795	1.134522145	0.885438203	0.212214973	1.310452911	1.477332115	1.528749602	1.707565962	0.576932505
Aspartic acid	0.96356299	1.169767289	0.943029525	0.984191619	0.824511989	0.922884042	1.192052547	0.964667217	1.423629191	1.565188067	1.781558021	1.141242638	0.808459545	0.849856732	0.627487517	1.01421932	0.862762262	0.615561463	0.71501082	0.68815169	1.29651074	1.084958854	1.135862231	0.943641606	0.973893298	0.666859069	1.024835175	0.736482612	1.280518515	0.856965969	1.015784627	0.762175613	0.814869938	1.118648947	1.304305503	1.197333401	0.823750509	0.506847868	1.034517102	1.45863503	1.489780488	1.773957699	0.79700171
Pyroglutamic acid	1.098593938	1.261369059	0.803605558	1.227895901	0.744128345	0.731147246	1.133259953	1.14812336	2.099413282	1.964371837	2.559600049	0.994561388	0.781194019	0.623341431	0.637743423	0.96495847	0.830263209	0.969834231	0.845331106	0.689949219	1.232590981	0.967847745	1.071600887	1.08103254	1.16175695	0.770411578	1.338617473	0.961525722	1.479892315	1.179041968	1.049686613	0.753802399	0.775796517	1.029452467	1.440948617	1.966633733	1.376754098	0.871293164	1.018344018	1.110362817	1.560744495	1.664085269	1.138275895
gamma-Aminobutyric acid	0.978643233	1.103792927	1.091749167	0.958743446	0.750159189	0.888328825	1.228583213	0.670783614	0.702768484	1.025447701	0.985962452	0.93623409	0.795042489	0.789892607	0.635506263	1.047646091	0.823967232	0.958587345	0.910718736	0.827262527	1.120985812	1.240612913	0.900019861	1.117677678	0.921827885	0.772902939	0.970929782	0.777368554	1.354019549	0.816074125	1.150920239	1.126441412	1.319500141	0.757681644	0.796376803	0.775056766	0.402163872	0.385940597	1.245571211	1.368488191	2.185264009	2.160131493	1.683165485
Threonic acid	1.101803807	1.269153368	0.929563954	1.056419396	0.810428595	0.781103631	1.051527249	1.028623438	1.417451283	1.659246781	1.862229691	1.127855994	0.919300835	0.742130263	0.756249158	0.977584201	0.794898014	1.065523785	1.206931968	0.596987497	1.169845103	0.998076364	0.918628458	1.365225184	1.178755179	0.988721795	1.194803881	1.25319669	1.464157153	1.349070076	1.043386046	0.782895504	0.666792272	1.27005003	1.280262195	1.6085712	1.129321804	0.663046352	1.199670262	1.137283386	1.86749954	2.103586148	1.686523243
Cysteine	1.032536723	1.243671634	0.800045768	1.265110517	0.604289228	0.846831168	1.207514962	0.707362419	1.169500373	1.119912648	1.770378409	0.759312098	0.762950048	0.654789207	0.575520573	0.652496133	0.549980072	0.760444621	0.900688396	0.591184962	1.462791325	0.883348437	1.25285558	1.379800329	1.227543162	0.841058332	1.046289888	0.935333008	1.042871794	0.931248181	0.587813935	0.629586328	0.665732977	1.288432159	1.416248537	3.428483976	2.378482366	1.294224858	0.709240735	0.996534407	0.619209815	0.753137317	0.586907134
Creatinine	0.942247858	1.058231616	1.185035799	0.964439246	0.89947057	0.875211871	1.07536304	0.648722952	0.690587229	1.064636586	1.092352739	1.120385031	0.945379285	0.72837507	0.563743379	1.160946479	0.871885316	0.971225948	1.187518176	0.995179889	0.991959799	1.171968411	0.930744902	1.029570273	0.84774493	0.630217578	0.929695072	0.689461224	1.310478191	0.716195735	0.808673152	1.040621253	0.920533388	1.036092056	1.002753303	1.482987552	1.025248587	0.639073848	1.061611428	1.299314724	1.584568084	2.054501371	1.945004422
Hypotaurine	0.58809583	0.917540436	1.216871949	1.098748868	0.73918726	1.009487304	1.430068353	0.589647307	0.537028386	0.789744128	0.833044498	0.834634942	0.455861789	0.694824428	0.649633094	1.078613211	0.934703693	1.030875025	0.733305229	0.817638607	1.220564458	0.909017688	0.701647529	1.153401733	1.184413081	0.503515394	0.892681799	0.472703314	1.380369367	0.821087545	1.031910621	1.173119253	1.237680631	0.713285882	0.875914234	1.252524967	0.882683892	0.691765181	1.070850384	1.237384435	1.33370079	1.321347598	1.077932196
Glutamic acid	0.332492059	1.084467621	1.12999502	1.148231564	0.816410304	1.019889221	1.468514212	0.989658962	1.242582909	1.559460585	1.716411947	1.272307746	0.739971707	0.970020196	0.821655798	1.131413204	0.991338747	0.92750455	1.013370828	0.736600548	1.163075058	1.055824548	0.907518933	1.029627012	0.984601951	0.575168271	0.842006217	0.621420562	1.454663918	0.729568146	1.047809415	1.145459732	1.287338494	0.71956835	0.847633424	0.84945378	0.53067037	0.297633859	1.129738107	1.572628034	2.111191129	2.373159744	1.079365395
Taurine	0.641868105	1.031005901	1.128092712	1.019177625	0.740770467	1.016835788	1.422249402	0.662733076	0.539142575	0.935288143	0.901634506	0.965186607	0.68998408	0.787085281	0.755556991	1.141675802	0.933411013	1.056871192	1.177610976	0.688786025	1.102111669	1.08522696	0.850529586	1.147931889	1.050327057	0.661049906	0.706212637	0.798621456	1.495646945	0.733046622	1.074317641	1.733642471	1.943268968	0.067329649	0.255758912	0.437829984	0.421895226	0.873228948	0.961047856	1.165723196	1.315754283	1.353125898	1.200093626
sn-Glycero-3-phosphate	1.830235035	0.971525578	0.777645141	0.775256181	0.650167781	0.952759354	1.04241093	0.399548943	0.361395675	0.632691444	0.744470707	0.777510526	1.024261448	0.717009895	0.940958222	0.653875545	1.523781603	1.257956447	2.08980546	0.000213393	0.820869571	2.349392849	0.006526484	1.198321222	1.447019334	0.668448778	1.274096186	1.510163571	1.64501265	1.235861079	1.77383219	1.000562529	0.886639942	1.253643301	0.859154229	1.183498847	0.847554051	1.387713764	0.694917111	0.917369125	1.183648956	1.210156331	2.21479982
Glutamine	0.052517508	1.629924278	0.877042269	1.462806315	1.008571886	0.815631159	1.153506586	1.476040819	2.444621738	2.599735555	3.563741427	1.348445898	0.997928368	0.750830439	0.888771348	0.762500667	0.764280498	0.803715721	0.868857076	0.575284574	1.308876369	1.057251723	1.251472738	1.0961785	1.184154932	0.871180899	1.432288467	1.282152237	1.244950472	1.294909015	1.008887348	0.692277352	0.666333583	1.239496841	1.401892224	2.593135573	1.853414935	0.955026924	0.886249915	1.158723161	1.492608499	1.837020208	1.068822083
Ornithine	0.757629682	1.155906947	0.90128944	1.502474722	0.774090743	0.741744712	1.166863753	1.206402587	1.69499866	1.550169054	2.053609691	0.930725675	0.743588171	0.514779928	0.663950093	0.965556275	0.248375444	0.60174416	0.242698085	0.483253744	1.582208231	1.293898706	0.829971455	1.273529842	1.323206304	0.952020988	1.371479189	2.047213801	2.296662706	1.740699847	0.958809832	0.16132722	0.908747605	0.610624596	2.31930058	2.974069376	2.13880327	1.306519581	0.499896166	1.193584254	1.708485505	1.684564419	1.788049018
Citric acid	0.892063784	1.186956657	0.98175847	1.22114788	0.810889674	0.777893258	1.129290276	0.964431771	1.434590396	1.485918898	2.032103587	1.084500691	0.797395792	0.625225063	0.714239583	1.136769014	0.7991299	0.837282926	0.893086532	0.902077553	1.110536423	1.215122255	0.828037415	1.042024716	0.966302725	0.742671406	1.017970333	0.862256617	1.849357725	0.895211425	1.142737997	0.89966672	1.080633532	0.910178953	1.109520795	1.466072918	1.054948203	0.706000786	1.008008899	1.285990315	1.645963831	1.919173694	1.970669145
Fructose	0.916213908	1.318913058	0.811052838	1.389672097	0.807372978	0.664535885	1.092239236	1.394073907	2.687226486	2.217333617	3.089829111	1.050048501	0.743930167	0.460729521	0.572883864	0.684249651	0.528059772	0.760834861	0.563409806	0.674607391	1.285815404	0.811901238	1.294079443	1.443239683	1.278047416	1.043404916	1.713112915	1.445181096	1.581233872	1.603267168	0.980161232	0.50955868	0.50612357	1.276557582	1.707760168	3.293465285	2.110777351	1.095662029	0.900209788	1.004128182	1.343070309	1.512981075	1.110890381
Glucose	0.963696472	1.353382346	0.728216991	1.388686142	0.78939834	0.665130664	1.111489045	1.302097901	2.249396846	2.179629634	2.906833703	0.963279227	0.722949492	0.368751777	0.492344568	0.441624283	0.301712421	0.501546943	0.277764956	0.666279781	1.638469493	0.757452607	1.415698717	1.5260291	1.252733597	1.108348615	1.9858847	1.488520769	1.657508031	1.503341285	0.919693815	0.361583715	0.348662825	1.459103234	1.830650226	4.061290619	2.68101964	0.936333056	1.036183923	1.027483021	1.243245415	1.427583509	0.915768187
Tyrosine	0.736812812	1.320126986	0.862030255	1.418569428	0.800125125	0.715442881	1.146892513	1.348629003	2.531484651	2.184800461	3.048681147	1.036125565	0.741941641	0.543649302	0.609981866	0.772928686	0.65894243	0.877675875	0.9137588	0.726446629	1.213758315	1.01301022	1.252343505	1.173030648	1.189539567	0.965149708	1.335782709	1.297211978	1.58126919	1.189344976	1.173411659	0.656430881	0.6473836	1.140289227	1.555896292	2.69089443	1.58738133	1.06590922	0.824139997	1.109950783	1.341543565	1.701436356	1.471499268
Palmitic acid	0.6704495	0.740874105	2.076844972	0.701431824	1.507455546	0.56547836	0.737465693	0.728579132	0.607011426	0.902116213	0.891400921	1.893435069	0.515136632	0.442611063	0.430460695	1.79901091	0.605313225	0.807190781	0.977415946	1.000552725	0.742213884	0.774187021	1.21622313	0.734010265	1.12848884	0.68091048	1.475047627	0.951984885	1.458427834	1.051746472	0.779772577	0.515551801	0.481250553	1.387564956	1.615632689	2.833132245	1.225681627	1.129645823	1.00046572	0.869888457	1.321178293	1.48719841	1.453214209
Stearic acid	0.468982773	0.539467679	2.703276469	0.482500156	1.95154798	0.375115846	0.479109097	0.496799177	0.404898723	0.589341715	0.535513946	2.471564393	0.355951978	0.342097926	0.286045985	2.388456077	0.453671506	0.627434324	0.834196754	1.299898654	0.616191995	0.602626532	1.00789698	0.690276282	0.940981974	0.616227792	1.365480048	0.901216633	1.513597421	0.903372448	0.671047598	0.586945207	0.547784812	1.457073198	1.408196783	3.176407047	1.382665395	1.092215523	1.113367623	0.794416854	1.324230914	1.359884079	1.291479586
Succinic acid	0.97018503	1.134221841	0.868654506	1.067242365	0.716946508	0.912535062	1.330214688	1.881974366	3.080710055	3.048308355	3.493562918	1.754450197	1.275055375	1.055902583	0.876103541	1.123199988	1.087240761	0.949595978	1.06183424	0.743593656	0.98853476	1.358999837	0.928605051	0.911169424	0.858656523	0.704562736	0.993288416	0.809862486	1.504377636	0.904557496	1.339792939	0.49267784	0.742550173	1.12611756	1.638654427	1.995964229	1.560511855	0.716589695	1.022247881	1.261162424	1.568627416	1.533491405	0.883328365

metabolite_name	Quantified m/z	PubChem ID	KEGG ID	HMDB
Pyruvic acid	174	1060	C00022	HMDB0000243
Lactic acid	219	107689	C00186	HMDB0000190
Acetohydroxamic acid	249	1990	C06808	HMDB0014691
Leucine	86	6106	C00123	HMDB0000687
Isoleucine	86	6306	C00407	HMDB0000172
Valine	218	6287	C00183	HMDB0000883
Urea	189	1176	C00086	HMDB0000294
Glycine	248	750	C00037	HMDB0000123
Itaconic acid	259	811	C00490	HMDB0002092
Glyoxylic acid	184	760	C00048	HMDB0000119
Fumaric acid	245	444972	C00122	HMDB0000134
Threonine	218	6288	C00188	HMDB0000167
beta-Alanine	248	239	C00099	HMDB0000056
Malic acid	233	525	C03668	HMDB0000744
Aspartic acid	232	5960	C00049	HMDB0000191
Pyroglutamic acid	156	7405	C01879	HMDB0000267
gamma-Aminobutyric acid	174	223130	C00334	HMDB0000112
Threonic acid	292	151152	C01620	HMDB0000943
Cysteine	218	5862	C00097	HMDB0000574
Creatinine	115	588	C00791	HMDB0000562
Hypotaurine	188	107812	C00519	HMDB0000965
Glutamic acid	246	33032	C00025	HMDB0000148
Taurine	326	1123	C00245	HMDB0000251
sn-Glycero-3-phosphate	357	439162	C00093	HMDB0000126
Glutamine	156	5961	C00064	HMDB0000641
Ornithine	420	6262	C00077	HMDB0000214
Citric acid	273	311	C00158	HMDB0000094
Fructose	307	439709	C02336	HMDB0000660
Glucose	319	5793	C00221	HMDB0000122
Tyrosine	218	6057	C00082	HMDB0000158
Palmitic acid	313	985	C00249	HMDB0000220
Stearic acid	341	5281	C01530	HMDB0000827
Succinic acid	247	1110	C00042	HMDB0000254