metabolite_name	3609	3608	5050	5057	8678	8680	10188	10184	10506	10512	10524	10526	18476	18473	19051	19053	19205	19204	19338	19337	21274	21275	22346	22343	22693	22694	23979	23977	31703	31708	32567	32564	32595	32594	32871	32870	36673	36668	36916	36914	37654	37653	37687	37689	37976	37977	42957	42955	43779	43782	47605	47603	50742	50739	52012	52014	53131	53132	53247	53248	53983	53984	54182	54184	59701	59703	17626	17627	17637	17643	19567	19564	23868	23870	24070	24068	39907	25794	25793	25922	25923	25945	25944	26084	26163	26166	31630	36357	39117	39116	36361	39910
Pyruvate	-3.85130437	-4.381366845	-4.023424197	-4.074774903	-4.175160293	-4.112105499	-5.79190998	-5.630924789	-5.685747645	-5.316449804	-4.100908422	-4.123342009	-4.928977289	-4.92483915	-4.590301394	-4.508562919	-5.066436139	-5.688841099	-4.575169827	-4.679464665	-4.335497701	-5.002858687	-4.976251728	-5.031763324	-4.635354777	-5.045451861	-4.78014752	-5.010900864	-4.851813261	-6.327929729	-4.583702137	-4.820264262	-5.041303676	-4.444855836	-2.47953823	-2.743138785	-4.633366302	-4.365825674	-3.010096248	-2.408614603	-3.193993962	-2.61107587	-2.646069642	-2.631487971	-2.667071189	-2.715725831	-3.644161385	-3.269742219	-4.261583866	-2.122017324	-4.233431733	-4.109046521	-2.902684598	-3.81185132	-2.492139186	-2.283265174	-4.084607133	-3.007932429	-3.52366327	-3.344230983	-4.330746268	-4.201942208	-3.930141828	-3.778663923	-2.897879887	-3.560792453	-2.494766914	-2.336215481	-4.41961822	-4.57659614	-3.908844355	-3.7698103	-2.471991701	-2.611817365	-2.548131267	-3.253475691	-3.425158132	-3.353269908	-2.612483197	-2.325613413	-3.84273833	-3.947210115	-1.477565561	-3.471598375	-4.107200751	-4.716985402	-2.189554026	-1.009019025	-4.580025943	-4.947264963	-4.588384653	-5.291908798
Ribose	-4.723543523	-5.066387626	-4.668883589	-4.394906355	-4.28583079	-4.163740631	-5.09172519	-5.534310546	-6.58387283	-7.09053582	-4.419429333	-4.613666014	-6.972963917	-7.768828147	-7.029318961	-6.941730525	-7.282389279	-7.028920664	-4.611316709	-4.895018904	-5.601361363	-5.44336857	-6.081280738	-6.523231208	-6.242127859	-4.387976677	-6.630235523	-6.678505299	-7.302033164	-7.473343859	-6.820928377	-7.357768755	-6.348393021	-5.31307864	-7.351092481	-6.868910225	-6.22117375	-5.833724927	-6.028927368	-6.090379623	-6.198323575	-6.657270323	-7.894603822	-3.110390577	-6.551968948	-6.977253323	-7.713784784	-6.501980687	-8.05541567	-5.638097061	-4.948665534	-4.368372159	-6.693453702	-7.735277507	-5.740072928	-6.643355707	-7.752941296	-6.081246199	-4.330490072	-4.303836009	-6.490197301	-6.47292991	-4.882552189	-6.342327748	-4.537370202	-5.81624715	-5.329720931	-5.016718404	-5.672535712	-5.865667233	-5.360654258	-6.113056159	-7.043747335	-6.541052635	-6.231923027	-6.537265186	-7.703433563	-6.497907606	-6.401826467	-5.352938681	-6.394473076	-7.083549702	-4.830947263	-6.967246506	-7.673009005	-4.404197388	-6.999866335	-5.29827355	-6.854180508	-6.283547879	-4.354622425	-4.755541688
Citrate	0.660484984	-2.302935871	-0.555718184	2.518593159	-1.193237181	1.811623732	-1.689107808	1.84789506	-1.824844938	1.46055383	-0.027959834	2.211026663	3.367521801	-2.642320953	0.250562379	3.895412119	1.091959682	4.10149728	2.022852481	2.254052059	1.300543083	2.161689752	3.89778357	-2.399379741	0.849279812	-1.772670703	4.12116674	4.135166414	3.10937876	5.187571873	4.483638918	3.414405	5.510680097	5.676331668	6.257734688	4.364544431	4.539321805	6.677269281	7.99387976	7.329071446	7.076079345	1.28140826	7.526053408	3.82386805	6.103284811	5.672163858	7.610541381	5.184847411	6.793796601	6.397886307	2.662715863	3.726591425	5.944888186	8.073982869	7.912235345	6.929396229	7.068364062	7.036020145	5.940891655	5.224601035	5.787270135	4.657958161	2.082049195	1.579304637	7.835143705	8.602316152	6.699526729	7.058326397	4.026933966	4.513720356	5.371607201	5.627045381	4.159866037	4.857942176	6.887393001	7.132117066	4.994532655	7.248485028	7.480074898	8.272787727	7.805575255	5.437546274	6.91045256	6.242223935	2.725099731	2.196131676	7.777763989	9.907954686	1.351311298	1.524176364	2.255779154	1.164501539
Carbamoyl phosphate	1.684289016	1.292163989	-5.279577504	-4.881092141	-0.193489038	1.226149665	0.077796409	0.700286821	1.742238698	0.730223547	0.785955968	0.778903399	0.222380559	-0.420417717	0.145534659	-3.157330298	1.81068331	1.098989801	1.776997909	1.812448165	1.126242601	1.381835538	0.822187239	1.219567045	1.699717924	0.69601264	0.948153325	0.194218352	1.149400246	-0.979808689	-2.438727114	0.301465133	1.086562355	1.726002839	1.528780641	1.566352972	0.737714751	1.780439666	2.044991833	2.184435573	1.19669834	1.394677777	1.410501855	-5.133576635	2.069314928	2.23701822	-2.130216876	2.401703873	-0.021517514	-1.483244609	1.753493012	1.289034172	2.146825754	-0.66333395	1.064389336	2.312919958	1.16691068	3.729744925	1.659197083	1.859907704	2.11491069	2.083508469	2.182343156	2.369913302	-1.438293202	0.595323822	-1.07328212	-2.831774243	-5.676799025	-4.299262803	-3.854844662	-1.800922567	2.012413755	2.099919521	-0.603169657	2.254046074	2.309830926	2.607132571	1.781870897	2.484481431	2.391048252	0.686519132	2.192643676	2.458156862	1.750065841	1.445381223	0.792943144	4.14729218	-4.09154081	-2.51749178	2.040636321	1.093480652
D-Gluconic acid	4.975905928	4.545290311	2.051139841	2.925608839	0.61687506	0.954133505	-0.928219691	-1.057329008	1.298816142	0.314799255	2.628145674	1.294990161	0.186435826	-0.366495514	-0.821476902	0.1957497	-0.671609665	-0.357575531	-0.670315391	-1.039596749	-0.795544336	-1.755233764	-0.159892785	-0.450106833	-0.204278607	-0.133925142	-0.428796597	-0.246410732	-0.443243628	-1.511548702	0.595122411	-0.400670462	3.931280422	4.274751588	3.17735099	3.238276841	0.035964527	0.017380511	2.689466361	2.940093529	-0.279532489	-0.072938738	-0.813643992	1.305785289	-0.125268747	-0.326592317	-4.02253093	0.55359836	-0.162584168	1.10063228	0.28953282	0.734105549	-0.446268733	0.339408664	0.027692072	0.117510719	2.968734924	3.405957531	4.51379698	4.697074558	-1.39747522	-0.790335974	4.409389692	3.685708623	1.587345136	0.198655866	0.197268576	-0.225830053	1.021661616	1.431243151	1.149250318	0.72420806	-0.179963516	-0.757122504	1.102268591	0.206979382	-0.560856033	-1.063424328	-0.286286593	0.303447062	-0.938837563	0.493801358	2.419251343	-0.358636731	-0.057372277	0.549234213	1.314058345	0.530308818	-0.348955847	-0.309528091	-0.2406733	-0.52534352
Glucose	0.382734336	0.018519743	0.424790427	0.331924607	0.14784879	0.182776429	-1.433434063	-1.386866045	-1.417484686	-1.02860506	0.121356754	0.183043833	-0.806258663	-0.892306045	-0.57557976	-0.401036413	-0.877830775	-1.544994671	-0.409502582	-0.407366064	-0.143177775	-0.844871362	-0.982520371	-1.109660307	-0.420405502	-1.099561157	-0.652175394	-0.932172526	-0.645554359	-2.305418797	-0.4133513	-0.635868619	-0.825058373	-0.517054127	1.794193296	1.649767027	-0.399971816	-0.261866945	1.14473874	1.916037274	1.123471405	1.747047748	1.704302747	1.625477854	1.64596505	1.546774644	0.180707952	1.049228526	-0.005399174	2.342515077	0.113110257	0.310535286	1.534085594	0.438692747	1.765752212	2.093090743	0.337702283	1.358810595	0.89859719	1.067045854	-0.01039326	0.124148146	0.453271849	0.612777166	1.070882601	-3.003533051	1.833295226	2.079733434	-0.477436595	-0.355777582	0.443440644	0.545732409	1.812934064	1.536816825	1.793709213	1.131254077	0.731448428	1.08184735	1.686535554	2.014407149	0.622584251	0.472376742	2.625141072	0.706626718	0.202427553	-0.254482792	2.047353526	3.494511295	-0.044777507	-0.481311013	-0.383398194	-0.977370201
Geranyl diphosphate	0.320346178	0.3926071	0.660393377	1.283850161	-0.612488163	-0.260025462	0.128421698	0.202851583	0.22651747	0.644691991	1.560141324	-0.626813885	3.392185587	3.476301911	2.430351485	3.214701589	2.240705204	2.051503232	-0.099999134	0.16676412	0.419933655	0.297513531	3.011730063	3.37511725	2.316085391	1.76327285	3.288639485	3.099177211	2.45273378	2.078089057	3.152468074	2.33591653	3.352770898	3.223694467	3.7941117	4.000300995	2.422160365	2.360246921	3.404781949	3.484728874	2.530111859	3.051177771	3.156102429	3.440515898	3.315949381	3.744789815	4.364098792	4.402757889	2.946175607	3.987142787	3.130391129	3.090015971	2.989566798	1.771490233	3.364145771	4.092176538	3.566544643	5.125121601	3.851619419	4.13320064	2.953938965	3.116439886	3.688639783	3.99242373	4.346716869	4.340610491	4.15333879	4.015501776	2.404325053	3.242582923	3.156346799	4.076149339	3.267920478	2.882250347	3.304003349	2.529292555	3.928951553	4.112346928	4.010360059	3.541601813	3.360891184	3.31701445	5.663016891	4.352001804	3.980651826	4.861759537	3.453045917	5.267575745	1.272407471	-0.154089476	-0.006663161	-0.42647096
Mannose	-2.21745568	-3.429821281	-0.896892448	-0.745545415	-1.921727496	-2.632671817	-4.372827058	-5.955036176	-4.35002038	-3.603239976	-3.483429827	-2.088228799	-4.703568362	-3.712761319	-4.171068002	-4.113048812	-3.328044442	-4.73109105	-3.515931243	-3.605779828	-2.674031068	-3.882682444	-3.151146601	-5.421825641	-3.700149417	-2.440533096	-2.044212447	-3.256451932	-4.612369465	-4.163438086	-3.848630269	-3.519737444	-2.883287144	-1.411090085	-1.42656024	-1.898177918	-1.103476109	-1.221589415	-2.261279492	-1.561394789	-2.24642178	-1.747118238	-1.754900824	-1.626857486	-1.683222894	-5.903397844	-1.325819747	-2.105659654	-3.391865925	-1.007448063	-4.620471029	-4.471490851	-1.914494967	-2.446523626	-1.527785864	-1.06245023	-2.918610886	-1.845062132	-2.41648286	-2.266471222	-4.261137925	-3.439825182	-2.878397568	-2.708790597	-2.018004956	-2.623419499	-1.554504242	-1.298236623	-2.293690332	-1.400439905	-2.624495244	-2.465579156	-1.683568294	-1.758546287	-1.670716617	-2.327679281	-2.413663865	-2.198930096	-1.778657804	-1.083541124	-2.750972923	-2.879281151	-0.531163423	-2.491707058	-4.142192281	-6.104552774	-1.284543717	-0.021929279	-2.051949437	-2.655952635	-3.187433651	-4.064538482
N-acetyl serine	-3.468295974	-4.018662816	0.047505114	-0.194680992	-3.779159306	-3.443967636	-3.858820435	-3.297199688	-3.979528031	-5.241759525	-3.646328521	-3.36433936	-5.705728655	-5.825010512	-5.980593631	-5.220157668	-6.105035078	-5.863382421	-3.870478035	-3.898367608	-4.30623077	-4.158441361	-5.156515851	-5.557252019	-4.431874665	-5.067340295	-5.689261915	-5.930991108	-6.143001801	-6.739565439	-5.474272934	-6.206749803	-5.452624451	-2.734286312	-4.775228165	-5.642623046	-4.85141659	-4.451027506	-5.355565091	-4.876443473	-6.228774685	-5.574848761	-4.269351812	-3.131293132	-4.927371536	-5.540091768	-6.282715133	-5.352378753	-4.725224958	-2.439852268	-4.704693818	-4.440206459	-4.628868637	-6.100901003	-5.413089317	-4.812714538	-5.783127084	-4.479704522	-5.393461908	-5.69331725	-5.328725804	-5.443162711	-5.318383305	-5.199416355	-5.223822389	-5.699748841	-2.66579023	-2.961020621	-3.119449459	-2.213867436	-3.954601767	-3.098345287	-5.488823088	-5.649595388	-5.422495467	-4.625911132	-5.855665955	-4.572834425	-5.057459044	-4.900704416	-5.747534795	-5.650409911	-4.066953898	-4.934219825	-5.366755441	-4.943764405	-5.386035571	-3.225328579	-3.057202584	-2.964111872	-2.981774787	-3.829030339
Methylmalonic acid	-1.366319849	-1.900544931	-5.50578795	-4.59849883	-2.145540484	-1.758231375	-4.4845888	-3.690884583	-2.933510796	-3.497715254	-2.184172669	-2.052232663	-2.307101039	-2.804010023	-3.620617996	-2.080819283	-3.218829169	-2.470141466	-2.746794082	-3.382157289	-2.66498071	-2.958126233	-2.428709565	-2.597488812	-2.072413377	-3.29301487	-3.967243416	-2.910246817	-2.40297289	-3.959804364	-1.781355813	-2.798420733	-3.942007156	-2.564087016	-1.632185862	-3.131054305	-4.352498616	-3.036278301	-3.62055904	-2.582597577	-3.733253711	-3.684525686	-2.784910653	-6.510654626	-2.107031092	-2.723647689	-2.903837917	-2.487294794	-5.896433387	-5.549258882	-2.199941833	-1.985614127	-2.567034814	-5.032640526	-3.243486119	-1.811263647	-2.776396627	-2.372380899	-3.198188038	-1.991065308	-3.480400774	-3.009295678	-2.506684237	-1.363902948	-1.577959059	-2.557087015	-3.064097663	-8.300678048	-5.553158474	-6.704001648	-5.667490409	-5.628827296	-2.347985984	-2.869682568	-2.482039524	-2.367041255	-3.405464455	-3.324789806	-1.714860497	-2.433700715	-3.546409346	-2.527227359	-0.331456379	-2.104350513	-3.488383296	-2.849902423	-2.130614439	-0.88633538	-5.299509763	-6.611132463	-2.620045538	-1.886150016
Hydroxy glutarate	-1.052202485	-1.07200412	-0.420212018	-0.133713035	-2.037536902	-1.097219145	-1.975133015	-1.186372541	-1.078990103	-1.390944732	-1.856719551	-1.005775394	-1.525233594	-1.796056994	-2.041553754	-1.141737702	-1.720306632	-1.663726551	-1.152950128	-1.309393377	-1.716623723	-1.440407522	-1.817455593	-1.66897279	-1.01966082	-1.673366945	-1.492801495	-1.911944486	-1.349569683	-3.009186848	-1.107558035	-1.801111756	-1.629600814	-0.465006997	-0.980380355	-1.170081997	-1.728039511	-1.209597637	-1.098022191	-0.890399255	-1.933297388	-1.663063532	-0.798584967	-0.568087904	-1.00312562	-1.027928422	-2.831549124	-1.088628069	-1.558831634	0.222427605	-1.803858759	-1.713169931	-0.38680828	-2.464893592	-1.624726781	-0.571991397	-1.785343757	0.169111433	-1.438435658	-1.557798133	-1.45534027	-1.740191884	-1.315620119	-0.796522085	-1.627594324	-1.553324556	0.166168772	-0.269706689	-0.656385446	-0.303683473	-0.908482478	0.086263124	-0.570979301	-0.781877168	-0.954423009	-0.66195881	-1.355038398	-0.5845732	-0.717582888	-1.067401317	-1.506194661	-2.060565514	-0.112400821	-1.246992227	-0.812314194	-0.515762261	-1.286087838	0.808206599	-0.554626611	-0.863429024	-1.447935073	-1.147990079
Shikimate-3-phosphate	0.414977424	0.45884457	0.724553405	1.480001764	0.469566984	0.522376863	0.565085564	0.092588544	0.985595899	0.696759501	1.648055156	0.603596126	3.17901936	3.32488014	2.416748465	3.089508368	2.473535743	1.759939673	0.255476936	0.292954897	-0.03912917	0.138386486	2.851827345	3.446864103	2.161090202	1.50674047	3.277149897	2.973676045	2.245057273	1.874259774	2.729957952	1.957101448	3.283750934	3.013123683	2.816003073	3.039969864	2.349691569	2.114515801	2.450441139	2.483225129	1.882976103	2.303498303	2.401859836	2.606543699	2.817887522	2.530380214	3.26036973	3.528348548	2.041636984	3.297448952	2.940924509	2.902548211	1.998806779	1.159908795	2.363587894	3.061987145	2.505586022	4.242820929	2.916290199	3.026360623	2.50809385	2.727147437	3.315541946	3.524533546	3.348629164	3.515775657	3.257370899	3.062471794	2.042947413	2.862781367	2.703140583	3.546695873	2.467287609	2.123892388	2.392420807	1.788451366	3.01135434	3.252271493	3.029447993	2.622906287	2.587955322	2.603730394	4.714388643	3.41851435	3.41707448	4.054980816	2.35596234	4.240761403	0.80158262	0.600899084	0.452311842	0.386634564
Dihomo-gamma-linolenic acid	4.338447944	3.712005205	3.262723619	3.355298066	3.712602535	3.951270653	4.14002168	3.436851107	3.517679683	2.656825559	3.313759498	4.075514946	2.459247689	2.930261855	3.293237026	2.569657335	2.783387242	2.348749166	3.4430031	3.448596814	3.067035606	3.118336956	2.729696612	1.930461827	3.121318764	2.908843713	3.246906273	3.439636726	3.016771806	3.148130422	2.670944817	2.877903806	2.830301104	3.163766092	3.585754096	3.275046439	2.432754542	2.660742597	3.08232389	3.376599308	3.676872276	3.674272477	3.378583033	3.178274012	3.781325245	3.672459721	5.069292388	4.044711657	2.113925415	3.313676608	3.565710657	3.559780077	3.382013416	2.503015027	4.252714858	3.44856216	2.729843732	3.96471146	4.109350799	3.965515382	3.860839664	3.716452902	3.579549619	3.162348954	4.606743173	4.549866713	3.391409145	3.656047769	2.726563264	2.680906929	3.374590193	3.223058375	3.760231889	3.978692663	3.403565632	3.680148516	3.578388537	3.84267306	3.762569474	3.92866453	3.90291503	3.592809745	5.527291581	3.761304285	3.839443716	3.267477152	3.819926359	4.899947872	2.939160428	2.227122712	3.960643875	3.105752707
Fructose	0.382734336	0.018519743	0.424790427	0.331924607	0.14784879	0.182776429	-1.433434063	-1.386866045	-1.417484686	-1.02860506	0.121356754	0.183043833	-0.806258663	-0.892306045	-0.57557976	-0.401036413	-0.877830775	-1.544994671	-0.409502582	-0.407366064	-0.143177775	-0.844871362	-0.982520371	-1.109660307	-0.420405502	-1.099561157	-0.652175394	-0.932172526	-0.645554359	-2.305418797	-0.4133513	-0.635868619	-0.825058373	-0.517054127	1.794193296	1.649767027	-0.399971816	-0.261866945	1.14473874	1.916037274	1.123471405	1.747047748	1.704302747	1.625477854	1.64596505	1.546774644	0.180707952	1.049228526	-0.005399174	2.342515077	0.113110257	0.310535286	1.534085594	0.438692747	1.765752212	2.093090743	0.337702283	1.358810595	0.89859719	1.067045854	-0.01039326	0.124148146	0.453271849	0.612777166	1.070882601	-3.003533051	1.833295226	2.079733434	-0.477436595	-0.355777582	0.443440644	0.545732409	1.812934064	1.536816825	1.793709213	1.131254077	0.731448428	1.08184735	1.686535554	2.014407149	0.622584251	0.472376742	2.625141072	0.706626718	0.202427553	-0.254482792	2.047353526	3.494511295	-0.044777507	-0.481311013	-0.383398194	-0.977370201

metabolite_name	Kegg ID	Retention Time(min)	Precursor Ion	Product Ions	Polarity
Pyruvate	C00022	3.2	87	43/41	Negative
Ribose	C00121	5	149	65/59.1	Negative
Citrate	C00158	14.3	191.05	111/87	Negative
Carbamoyl phosphate	C00169	10.3	140	79	Negative
D-Gluconic acid	C00257	5.9	195.1	129.1/75.1	Negative
Glucose	C00267	3.2	179	59	Negative
Geranyl diphosphate	C00341	14.8	312.8	78.7/155.7	Negative
Mannose	C00936	3	179.1	89.1/71.1	Negative
N-acetyl serine	C00979	5.6	146	98/84.1	Negative
Methylmalonic acid	C02170	14	117.002	73.1	Negative
Hydroxy glutarate	C02630	6.1	147	129.1/101.1	Negative
Shikimate-3-phosphate	C03175	14.2	253.1	97	Negative
Dihomo-gamma-linolenic acid	C03242	3.2	305.2	59.1	Negative
Fructose	C10906	3.2	179	59	Negative