metabolite_name	Serum_El15644_14	Serum_El15644_21	Serum_El15644_22	Serum_El15644_23	Serum_El15644_7	Serum_El2243_12	Serum_El2243_13	Serum_El2243_24	Serum_El2243_25	Serum_El2243_4	Serum_El2243_5	Serum_ElAB12n2_18	Serum_ElAB12n2_28	Serum_ElAB12n2_29	Serum_ElAB12n2_30	Serum_GF_1	Serum_GF_2	Serum_GF_26	Serum_GF_27	Serum_GF_3
Trehalose	340888	265754	237745	350097	192151	203196	196872	251931	361295	367787	446816	266380	423600	413682	317390	210210	201690	276312	156573	220973
(2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid	601969	308303	391819	393842	506429	476148	650258	403135	477315	461857	413615	460796	417397	423263	508468	1112494	939505	724056	405752	1079499
Tridecanedioic acid	597808	491530	577900	252309	580876	405151	455963	614087	575364	321440	266577	399631	309931	342035	355451	300250	289534	376312	429768	291677
1,3-Cyclohexanedicarboxylic acid	1143021	1265337	1509903	1573458	1147127	960220	609089	1582219	1773933	1630505	1697374	1769038	1412904	1976813	1278099	957549	1053554	773273	1397112	958108
1,4-Cyclohexanedicarboxylic acid	620482	545682	515003	505777	420085	358343	332318	563877	501840	559429	575822	494774	489318	507436	370705	429600	395824	360879	533369	410774
Glucosan	34450308	29547716	26314562	34084728	24418556	23667926	24472710	27231104	33908448	36825188	35422056	30787024	39058520	33238668	34757044	26930348	24408452	29998832	22924170	26427338
LPC P-16:0 or LPC O-16:1	361294	335340	344340	346424	434364	351646	411429	355818	422395	413468	411476	320641	285156	310255	375108	356724	292936	344494	258487	343243
1-(9Z-Octadecenyl)-sn-glycero-3-phosphoethanolamine	425054	365953	398442	394318	454825	424753	463109	489618	413304	413888	468381	399091	373656	349546	611785	455381	357789	388876	355035	378236
1-Heptadecanoyl-sn-glycero-3-phosphocholine	2240251	2217585	2430604	2334562	2530017	2385995	2417448	2599216	3137525	2265112	2430194	2196560	2311778	2330990	2437395	2288267	2135311	2446672	1875282	2305400
PC 16:0/20:4	4143666	4496056	4414290	4730030	4996014	4313480	4893386	4505626	3706806	4722966	4407352	4116098	3654632	3365658	3672978	4362176	3843256	4481738	3601920	4349954
PC 16:0/22:6	5664454	6206976	6161522	6899202	5579688	6136288	6290412	6014126	7167288	5463603	5504988	6429096	6512286	6283390	6345460	5681642	4771334	6270306	4178580	5501101
PC 16:0/18:2	20504258	18427112	17500324	23199764	20093982	18291438	20513936	16898954	18970126	20680476	21475528	18949626	19817726	18928578	19448776	21115928	19997984	18069902	18004364	19846772
1-Stearoyl-2-arachidonoyl-sn-glycero-3-phospho-(1'-myo-inositol)	681662	516050	356077	1653370	543742	667562	844396	738750	482582	502365	551118	522295	316368	284799	530456	1477962	931993	727767	740015	770739
12S-HETE	162135728	152677664	166057888	135974672	213954288	146206080	206663136	187122656	179645904	166836688	206578704	207090720	138797680	137997680	136109632	167073632	163416608	142731376	107060336	154430816
Coriolic acid	7952402	8829970	9857054	8554095	14801402	9397265	12260249	10454890	9528560	8722539	11737238	12530877	7731348	10742203	8462649	9493390	14985814	5677174	7513478	8414642
14-HDoHE	35276256	40203984	42061268	32270220	48719600	30750438	43139176	50559816	44789696	36344780	52178560	60271644	25984998	37808084	24792554	39536800	40483204	26753368	21478548	33697744
2'-O-Methyluridine	276057	171657	245647	208242	168155	189314	249588	258225	281049	222984	204130	247894	384490	263568	330602	226135	224456	238976	239514	280804
2,6-Dihydroxybenzoic acid	1915030	843619	1128390	2427046	6239676	2796122	4967067	1155594	1085452	3544175	3236819	1236191	2755217	2102222	2213681	3918592	3880118	4092690	3161778	3274912
2-Benzothiazolesulfonic acid	618350	387818	467076	421932	602579	645399	775977	961470	796948	729507	536306	687320	691890	632118	676529	612171	547285	656087	636087	570360
Deoxyuridine	4116470	4816664	4599192	4682032	3597081	3650457	4234194	4614146	5350448	4103514	3579521	3668514	6136328	5298116	6140402	3941665	3476115	4730204	5042196	4158068
2-Hydroxyglutaric acid	9111959	6812446	11085068	8317930	6001006	7377456	8734262	9792576	11346238	10521725	10271284	9656459	8157734	9788506	11607219	8211402	7318563	9615592	8108947	7785383
2-Hydroxyisobutyric acid	113544952	113172288	114522672	114869736	144658752	87879360	89636728	113062152	102006304	155713936	185056032	103939176	132610584	127259064	113775144	129028704	122795816	106076816	124172448	99730896
2-Hydroxyphenylacetic acid	183662	155738	192705	180803	471864	353952	450741	221690	178436	342976	359769	225870	211258	201034	221895	298692	241034	213045	198769	226139
2-Hydroxyquinoline	12671570	14144819	16178250	20274312	20783688	17260340	20029878	16186061	22148062	22508230	18082932	19094780	14035614	15255408	15845578	22637282	19855422	19435126	11551774	23264256
2-Mercaptobenzothiazole	12239882	8657664	10209017	11329925	11301687	8516250	8754082	10240746	9907413	10906032	13071677	9149367	9860470	10109290	9726457	12002713	9958388	8592498	9311293	12375065
2-Phosphoglyceric acid	353645	291659	566821	230538	192315	388369	229481	525337	173965	144299	202923	406601	639759	774750	513010	247475	334169	296068	223567	331465
3-Hydroxybutyric acid	135300000	196860928	176855168	148628640	126635944	83275176	85379248	184068944	149856240	113877576	135492560	201978144	122070976	125339168	123457552	109152960	100451568	69956560	241913552	89930448
10-Hydroxydecanoic acid	5489177	5716856	6123948	5527376	4956270	5072149	5312469	7534054	5641622	4929676	5410162	7075422	5195730	7028816	7284012	4445224	3417229	3213286	3998295	4342339
3-Hydroxydodecanoic acid	3258643	3695849	3723917	3237740	3353179	3052729	3693286	4567691	3493216	3271782	3476248	4522918	3279280	4283480	3938609	2744599	2443304	1690065	2845002	2561999
3-Hydroxyoctanoic acid	3237060	3945847	4353514	3693135	3399674	3536067	3546558	4284764	3553423	3546221	3891788	4192365	3729712	4416515	4505504	2944508	2991672	2326489	2868488	3214415
3-Methyl-4-nitrophenol	3853124	3905701	3069274	4096912	3537082	3380010	4101144	3495064	3621751	3638366	2310283	3893688	2660077	3509107	3594961	3898634	3307100	3469132	3491848	3360944
Phenyllactic acid	454291	456352	824588	584634	612626	2021624	2097788	966935	835571	919568	862091	701857	588679	639968	595951	677991	670072	719265	415879	702792
4-Acetamidobutanoic acid	324958	287061	320518	316149	453704	398335	450220	330947	356157	373244	356461	394420	373831	405214	403153	408839	439582	360142	318679	388095
4-Guanidinobutanoic acid	298621	165975	151077	302056	436642	288826	298679	170726	277914	505233	466027	264408	417465	451214	483062	317456	299035	290827	238411	324112
4-Hydroxybenzaldehyde	8499411	9724315	10761448	12031937	21805226	15783590	14446418	11360114	11462127	19233498	6179776	19885628	10725554	11964864	13528335	20885712	13139089	19633330	7765000	14832638
4-Hydroxybenzoic acid	460270	397528	547246	498011	684990	568965	833490	580762	539994	629501	559672	432797	483364	455714	553685	607295	665292	708026	454111	748268
4-Hydroxyquinoline-2-carbaldehyde	1239955	1070990	892266	1004099	1944436	795312	1049846	848997	1184422	1331344	1459426	956168	982939	1124582	1135700	1130393	1026798	790113	480112	1215035
4-Nitrophenol	15653414	15902118	14361605	17298588	17734994	15387613	18341642	14819504	15047578	15669757	10791219	16862834	12208042	15076218	17170664	15539574	13975231	14612489	15464411	14969882
4-Pyridoxic acid	2568478	1855334	2523355	2496256	2126043	2053233	2521414	3220792	3633702	3113920	3128713	2492443	3212633	3145194	2632092	1852154	1855320	2034941	2001508	1837639
6alpha-Mannobiose	648330	401349	362553	365834	580740	519373	483986	345560	287160	489475	524556	296924	564151	420077	467663	415486	484262	582957	507349	606363
9-Fluorenone	12012975	7130538	6940636	7789266	7792600	5932260	6760922	7664238	8159246	10794976	12214368	7240080	12530970	8291818	10411656	6631261	6172670	9014211	6179722	7015130
9-Hydroperoxy-10E,12Z-octadecadienoic acid	1230713	1429258	1616515	1387261	2107314	1594639	1800816	1779616	1475302	1378187	1764546	2177373	1159276	1773742	1387657	1324889	2156948	864787	1339119	1273752
Adipic acid	6452621	4850082	5578002	5873038	3729352	4248945	3642498	6217790	7927124	6520532	6942586	6759750	7282498	9379319	6023668	4954855	5442427	4755364	4713391	4657557
Alanine	16773491	18242958	18812840	14721606	16563659	17621546	18465954	19725814	17854250	20772070	18303788	17677720	13331546	17643832	18685808	16999274	18147392	16409313	16298754	16838184
Allantoin	32670522	30137640	32496742	32261104	41843020	33342446	33889472	34810588	33608020	38763968	35138960	33601484	39475540	41406012	41446340	39975236	36855144	42843612	24610004	33576564
Anserine	790618	578682	415619	428359	821160	455461	596495	480958	279919	888890	811536	701422	378919	332247	439143	739012	857875	343779	450217	592148
Arabitol	8020954	3277532	3949298	3317791	6350028	4289679	5825113	5025358	4559983	5928260	6554345	5015439	7604602	6214234	7365288	5936884	5280610	5609242	3965502	5490632
Arginine	31808740	24846328	17155650	20443888	39011908	26493094	31806072	19346066	20320864	32952834	39335348	25554128	31102702	27242764	30768862	23638736	24149748	28354748	18113116	26452676
Asp-Asn	212144	152978	173235	127404	191779	172562	150882	182230	157368	151182	172169	175002	131274	150170	170991	208732	197549	161664	144412	203513
Asp-Asp	931668	612625	933720	665774	1076459	1026147	996145	1029890	876111	897515	959163	953967	1283949	941687	836576	849938	1041445	826027	686942	1052599
Asp-Leu	544033	227683	192389	220269	440315	345034	355198	239952	298288	293781	369324	313471	303207	351239	320951	394566	376920	332226	372729	311323
Aspartic acid	5232776	3123854	2623565	2430872	6376020	2987348	4472424	3007374	3276203	4538317	6382552	2886013	3599224	2827988	3883522	1798441	3100469	2457786	2881586	2828894
Azelaic acid	6621518	4772290	5447482	3546490	7055980	4828792	5858594	5557742	4951740	7536560	5678072	4531904	6020888	5821542	5842610	6271916	7979543	7117043	6562338	7091507
1,2,4-Trihydroxybenzene	804862	491044	451990	380614	752327	318030	238979	488150	383288	467419	1071243	434747	498491	268901	443523	446709	281411	182256	327650	270196
3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid	162968	140122	150475	153937	243646	147718	167342	153416	148932	177193	175022	146705	151762	149687	158689	215674	193198	179296	204243	202753
Carnosine	1639774	979058	666163	603709	2169880	733241	915764	893915	360313	1492298	1662009	1006864	1638766	717366	1193695	1018363	1471846	642402	618745	962423
Cholesterol sulfate	6367659	5591518	5356288	7541462	6418007	4975349	7695856	7643230	5779856	6557555	7277001	4580541	4902814	4724842	5730786	10640498	8923754	6628726	7700744	7583466
Citric acid	4324675	6095641	4628536	6926838	5269714	5216401	5437500	4389090	3186194	4723645	5016904	4389716	4996268	5305440	3052255	2512142	4163626	4515014	4245907	4348432
Citrulline	22801286	13476465	13228991	13100388	23591862	17951984	20622596	14407072	14637147	19558416	22552308	15722096	22318150	19047830	19633870	17820016	18894058	19764618	12894408	19666046
Creatinine	497173	391375	470372	495436	644516	477942	510730	541664	486674	477582	466005	490690	375015	421625	495792	647766	640282	559454	513258	581335
Cysteine-glutathione disulfide	4216722	3063082	3337811	2656256	3254332	3222830	2834494	3596565	3486776	3056134	4650756	3490820	6553862	4800680	4821558	3994186	2522204	3358038	2287552	2552589
Cystine	536997	301387	159557	275623	376969	323667	299146	206496	410066	265182	397550	452034	689299	495690	594303	369712	206758	265570	97516	287341
Cytidine	178535	145413	165088	156780	222035	150491	192146	170226	145113	168180	157488	216290	127046	188847	174047	188354	172527	119483	211332	171773
Daidzein	324707	192568	335763	266626	321682	311598	428984	359580	214807	405862	249628	130933	345436	229295	356619	321518	245697	481017	324805	456038
Dodecanedioic acid	283051	246427	398338	208825	259967	255061	306155	394128	184559	331733	269342	254063	269996	297572	337938	257851	314955	182250	485333	262529
Dodecylbenzenesulfonic acid	760594	468104	442828	177863	496598	410525	765088	595569	333587	327584	399715	568587	1345002	391828	481612	241064	1559928	390566	877102	351531
Ergothioneine	2177840	1137883	1438086	1309949	1245973	2113778	1411360	1586261	1545950	1446000	1530166	2189509	765132	847327	783638	2598484	1795534	1671457	1155347	2129711
Erythronolactone	31500640	23283372	23982502	24025008	12821013	22817760	23095864	24577540	32733496	32667728	34111740	27041104	30543966	31556662	25679640	22686334	23176318	20626366	19433144	25837928
Fructose 1-phosphate	784750	676354	534483	431144	719784	323010	681648	528547	538810	632721	634291	494903	441334	461412	474030	314465	690734	393035	422322	557432
Fumaric acid	424004	280050	320523	334856	301937	362087	365304	339037	389187	468764	351181	343422	395241	412954	356764	563875	459815	370293	242658	419711
Gentianose	661857	522924	731164	519174	503780	883792	560131	787850	581105	565105	704310	594968	564989	635323	1023112	373294	353098	822433	447560	316623
Glu-Lys	476147	300974	280243	269951	488184	316364	382473	314216	303981	537767	529664	318713	559594	352966	440227	379474	412392	358776	164100	330512
Glu-Thr	352679	240455	218456	231798	402978	281735	328485	239428	262607	374116	472992	228432	301932	257159	270263	318268	292963	269782	133786	334295
Gluconic acid	13662541	10511678	11378389	12993290	6363502	13233102	15080908	14772200	17806240	20802944	22649426	13740304	19899376	21001336	18423888	9326997	11237185	13491539	5978348	11209530
Glucosamine 6-phosphate	337147	274732	249118	240703	425710	336610	311732	291248	206150	303081	345403	255957	345371	348428	346971	314521	343516	239379	188712	343031
Glucuronic acid	1245101	736059	779042	743419	1268594	828722	831721	920893	854356	1123973	1497019	830583	1185808	1021436	1196524	875025	916167	910450	659285	816644
Glutamic acid	82013624	51436508	73130592	41957064	91157624	79040848	67788992	81167736	65928148	70899560	90100320	65961252	83324256	75740632	84403216	72423440	78632968	66961036	57428804	77997616
Glutamine	170332800	83179064	67033728	73982384	143254080	72527080	81907432	76644728	78182792	113127208	144333840	69971904	140121072	91543016	110238472	71940776	64039520	91028832	67441872	74502576
Glutaric acid	24728730	28228566	19100180	34937444	16738463	17685746	17290112	21343458	39880368	24145322	29721922	46560652	25269270	38687636	26398294	37625484	35782988	21614392	18138878	21778172
Glutathione	4336267	2498998	2629599	2244358	3198138	3014814	2547634	2948335	2431680	4717590	5838763	2040982	4843372	4180512	3673036	2865336	2894480	3769177	2084257	1951052
Gly-Asp	395595	259022	318976	264268	521789	257405	301940	299669	282050	369395	575378	296151	483908	333606	456653	287411	359829	256375	244858	281625
Gly-Glu	427558	307316	479080	325055	550029	487322	499305	488071	507264	478642	618634	433652	732725	466999	577179	511481	600472	436023	345373	496921
Glyceraldehyde	84201944	74935976	68943976	83821064	64162764	63141288	65283392	70783080	84357752	89956896	89906384	76190864	94241408	82332024	85577392	70577976	64627384	77159600	59839072	68381552
Guanidoacetic acid	325929	205363	220679	145285	323902	240929	196584	208646	202036	262028	276210	201255	307957	291918	305824	180626	152639	280964	396087	183450
Hippuric acid	404535	513543	263664	253179	768387	378834	596925	271897	224330	548443	521757	175622	245612	287390	316569	397509	476710	635053	187381	620819
Hexadecanedioic acid	1012029	757315	997457	858583	712997	784999	811654	1118407	799682	1090714	1281885	1148311	891700	1166171	899587	820102	820106	455925	1496801	881904
Hexanoylglycine	20040254	23007520	24115018	22787132	27453526	20320156	17768422	25681418	33535376	32186186	34141572	46595392	21230276	24591166	23989214	14717098	13661942	22146594	18914166	12313449
Histidine	15236581	8051034	5263739	4911236	22968888	5712775	8320851	6136552	4309274	14145633	19203722	5520136	13202402	8276102	11088874	6671667	6729687	8960442	6374384	7279390
Hypotaurine	3203694	1270598	3138374	1059692	2306010	1585079	1727046	3589013	1127936	2636382	3624793	1306870	3537274	2211862	3147514	1424585	1768875	2110917	4526917	1618490
Hypoxanthine	25925816	41507540	44572308	35772780	22411380	31678354	30974446	46355592	66605632	21368334	37541456	27732986	50432992	37547568	33378892	51994556	46392528	61535464	20987418	64324568
Indolelactic acid	1592653	1682886	2458726	1969104	2440320	2422131	2550412	2689014	3214463	3270164	3366992	2307232	1781372	2395256	1901277	2780730	2814492	2133820	1480526	2973198
Inosine	1156208	1113473	1280822	1459792	685818	1219838	1134660	1340600	2211716	921968	1181956	991682	1619121	1977329	1459453	1395120	1154236	2084372	418474	1481870
Isoleucine	1617760	768855	1023236	647762	1397358	1006156	1264614	1158228	878263	1214752	1473038	1157872	1710882	1202617	1234702	1134814	1038803	1141852	969575	1193048
Kynurenic acid	482201	538178	524344	728077	630253	669909	691539	557269	1241305	1030154	1003774	566471	387083	471438	482236	609278	579341	701862	267356	747392
Leucine	3236026	1565599	2003958	1376520	2804836	2179926	2702952	2346436	1942140	2505818	2933658	2308018	3329845	2490599	2535340	2359448	2085989	2387909	1818039	2500900
Lysine	8750813	1551032	1085765	757124	9061426	1148744	2959525	1501778	896772	3470939	10521145	1498892	5004487	1550758	2801565	1711620	1504184	2591165	469264	2332844
Malic acid	43186076	18912640	35915276	27315118	10020480	49719108	49488080	45317088	54523444	31168886	33929756	55181504	29439300	41470524	30043792	49100844	40837308	36692496	22265294	49577960
Mannose 6-phosphate	1659662	1263088	897860	846305	1578364	533557	1368305	872725	1067197	1436238	1387116	986091	667167	653407	896706	537484	1350552	718283	797109	947558
Methionine sulfoxide	825348	449814	390510	497041	1804109	1121350	1633261	420752	459236	1419073	1636317	468643	923664	746055	892237	785934	795983	777453	518122	788948
Methylsuccinic acid	28078974	28696282	28793046	28818172	21791982	19562466	19438350	31024934	34414152	40118172	41360092	38250276	31880180	28782542	28326678	33068400	33482440	24629168	27680340	30780992
Dimethylarginine	263800	190552	221359	180030	282832	204316	234353	255206	213792	222770	289731	249653	302710	249191	283057	225703	214348	248621	182847	242794
N-Acetylalanine	2997377	2354270	3089151	2797364	2663330	2998560	3408724	3048353	3419092	3010708	3211075	3516298	3812996	3638446	3923044	2984070	2987337	3036262	2714226	2921690
N-Acetylphenylalanine	3165657	2284959	3328577	1949504	2804028	2149654	3141010	3407335	2450689	3141157	3139820	2797310	2937932	2203394	2288390	3454805	3176055	3339912	5254025	3619449
N-Acetyltyrosine	657488	689984	930781	565880	875368	721328	897749	933257	535335	935568	957958	788487	505716	459527	444202	994772	926896	837266	1447837	1056028
N-Acetylhistidine	7473326	3930785	4243713	3572673	5471360	4317096	6518645	5100830	3698539	8502390	10108628	4331341	7111520	5754288	6632174	7118761	7112997	8655970	3984768	5369681
N-Acetylleucine	10281471	5968654	7514734	6872676	6953394	7540558	10031940	8413141	9446141	10820467	9958868	9829797	9015955	8213301	8810443	10456773	10431158	9221333	7880480	10500429
N-Acetyl-mannosamine	526317	360523	428908	274185	415507	414540	436319	457807	380584	457309	581178	479922	621903	515253	486447	377197	379730	379745	346358	457945
N-Acetylmethionine	2654316	2441192	2692238	3004714	2816422	2360384	3727127	2807425	3997848	3280654	3080528	3723548	3273171	3332921	3194490	3295754	3062456	3862644	2235327	3062288
N-Acetyl-tryptophan	11628628	8770744	14428818	9037999	8342619	9589483	9813419	17259378	15534538	9835657	10877622	17956602	5428552	5852048	8300441	26193994	18122770	8954201	11136239	20994148
N-Isobutyrylglycine	34195408	40660796	35259980	38230416	46437940	29970988	29277906	38543056	47379676	63726792	63849380	46358676	40398756	43337280	34345420	19180136	15130682	43863364	29747878	17895688
Isovalerylglycine	153032992	107167088	86945256	120568984	117234456	89878288	121580000	103402736	107286840	156576864	194420608	102638352	106935456	80362368	97778648	88332544	77431632	73270456	71244528	87709312
N-Methyl-glutamic acid	9898212	5378662	4356293	4484698	7684673	5401179	5734140	4809652	5613084	8189804	11112641	5414207	7694059	6348225	8237947	6591131	5690694	5790905	2575500	6296156
N-Acetylornithine	5751312	2449835	2067040	1995655	6762244	3021094	3983433	2603636	2049596	4035802	7018030	2424522	5519374	3450561	4488902	2805019	2746744	3660178	1599426	2705217
N6-Acetyllysine	6201749	2625335	2668267	1867828	8533496	5277458	6584711	3155344	1926697	6701664	9448012	2447017	5567530	3389655	4866204	4007883	4215090	4277108	3068439	3747958
N(2)-Acetyllysine	799526	321790	375072	304870	670278	405079	479040	480915	373080	610478	820321	427512	541110	408894	527200	516147	506619	475011	301124	503968
Phosphoethanolamine	585202	321929	405008	250419	421088	402208	484288	447365	349489	350322	527902	476550	467540	521089	585986	286167	332420	337976	302791	341414
Ophthalmic acid	288073	241854	322345	257473	280883	233297	169264	356919	241931	442237	423620	174276	237173	262168	185950	206106	207545	227207	342115	219072
Octadecanedioic acid	401254	345900	407262	428970	376642	366552	432420	453183	374908	457778	485686	406653	370545	424918	400140	320366	373508	216865	529030	315521
Orotic acid	2959872	2463052	2652280	2821342	3182519	3240863	4333399	2947293	2596259	2822172	3493421	3500439	2800176	3134727	2386728	3668416	3207314	2928689	2880836	3159069
Oxalic acid mono(N-methyl)amide	383416	427733	368259	388433	435866	457500	447915	415579	457134	441546	387326	417118	350645	382886	394569	484781	415069	448640	426335	443089
PC 36:5	872976	920074	839056	969137	1074808	957660	995264	808123	752334	1059580	831697	887717	840970	826243	871240	1029501	923301	871591	710173	1160154
PI 34:2	239040	139809	78428	622113	171334	224189	267180	167314	197587	151611	248950	194795	114683	132486	142992	524000	363377	225813	241077	277680
PI 36:4	358316	264449	243942	729477	321010	356399	496755	407814	292383	291854	436951	319853	268798	230130	353361	656532	523951	422899	488573	433880
SM 18:1;O2/16:0	2988316	2723074	2132893	3337596	2696778	2245743	3156389	2602772	2734284	2524417	3601498	1917136	2023838	1931700	2374344	3071398	2650570	2951653	2561513	2818164
Pantothenic acid	11335304	10492613	12040615	10069076	6905514	7925567	11575021	12357975	10143336	9251917	8616018	9122430	12989258	11602748	13052612	10122329	9224524	13741293	11991901	9450636
Phenylalanine	1836337	1051514	1508167	1051107	1794567	1314010	1635269	1649609	1299282	1596124	1779605	1595272	2024322	1494376	1558728	1380832	1220621	1434709	1375828	1468587
Phenylpyruvic acid	1318712	735482	712275	1076269	1894194	1234680	1873575	738849	691014	1857899	1437119	622450	967109	985154	1207512	1289640	1416910	2255786	1315542	2563495
Phosphoenolpyruvic acid	2446012	2123372	4110482	2156402	1404127	2750396	2882221	3721860	2367075	1597861	1620049	4156509	2530950	4196756	2047814	1647650	3471906	2697537	1113742	2984449
Phosphoric acid	150829792	166018320	183031872	164253232	181507984	132529040	150044400	181162944	157215456	139887088	147195968	176551808	133337048	120155504	152352000	167872144	157918800	134352272	151791216	156608992
Phthalic acid	260974	276126	238931	230616	220815	208958	395934	187615	489126	339152	291556	212021	239197	198476	184567	286878	336056	366640	179694	306549
Pimelic acid	4540784	3735444	4103703	4785754	4987341	3382424	2957338	4063508	5769838	5498690	6505710	3963787	5653710	6738484	4257874	4201580	4838472	3587181	4298522	5080974
Propionic acid	2696119	3020000	3144858	3210612	2631195	2619479	3038728	3081499	3017659	3525407	3592034	4147046	2919184	3487002	4157038	4106895	4218031	2192574	2036367	3584383
Pseudouridine	1784138	1279085	1633646	1557665	2696357	1355389	1794094	1738772	1929836	1662530	1621842	1612369	2117884	1772184	1784460	1754621	1575156	1833949	1236906	1484642
Pyroglutamic acid	4061088	6257562	10581405	7827853	4351982	10508481	13065799	12152280	7724792	5046522	4571518	10340001	3997041	6118036	5183848	9385948	10186531	9996542	13307726	10691183
Pyruvic acid	50946848	26457624	31172324	24743030	39053912	26412262	36402072	37379248	37453588	39516188	68046576	33664480	41002016	24548582	36986004	26731886	17467722	32949450	24176992	24137266
Ribose 5-phosphate	2205381	497105	305278	371060	1639889	322962	562879	297882	260841	801302	1009382	450757	1612938	840564	1091968	406428	336012	373400	136241	407163
Cysteine-S-sulfate	2922790	1067712	8721183	808694	1149452	1956484	2290881	9121689	8816227	996452	924156	17696218	1399742	822109	1757026	5448030	3010392	1453579	5180940	10735305
Sebacic acid	10722395	6938376	10538259	4953270	11208233	5208120	4027686	11016906	12612583	7976424	7597182	8507178	8483699	7316004	8921461	5124298	10245682	8611583	8185755	5989724
Serine	16203586	9762944	12511644	8076459	19260420	11365036	14003291	13919419	10058976	13231450	19152566	10116362	15099643	10564251	13257231	14341660	12867648	11401957	11351975	14358342
Sorbose	1906104	3893016	4531730	5999781	1960660	4858321	4977801	5340506	5325795	2656809	2401650	5885308	2233237	3597267	3212126	4952285	3764445	4268974	6350268	3957514
Succinic acid	954154304	777345536	780870720	776090432	470887872	725567680	756305600	797094720	951312896	948583616	975374848	846872896	951356672	951378176	824027456	740102016	759220928	696292608	659398336	809241600
Sulfoacetic acid	378092	391336	444093	410957	388815	442415	593083	445298	560180	463562	413436	503995	330189	359457	336985	506895	473768	373093	358870	515332
trans-4-Hydroxyproline	15602209	7419267	9543025	7419343	16260878	10078896	12239051	10974994	7560710	11246209	14473655	8349861	18043132	12309010	14795593	8957517	10191077	13094844	8082164	9890390
D-Tagatose	194804944	163936864	146773856	187073184	139069152	134486960	136924096	152972320	186207136	199682192	196152240	168712464	214848928	181366144	193190032	153999424	138903696	165113200	129672104	148216848
Taurine	78966888	60548552	57781236	51130672	64420688	64724820	65998164	59852568	52992788	69950928	76593504	66834948	65211756	62592528	72162408	61045596	59490432	51011896	48016312	64487784
Taurocholic acid	755156	5100795	84918176	1653112	2785983	2791928	1879565	83366192	682661	2602084	1673894	1696143	21111128	2526610	8672767	597249	740262	2164356	123306824	1398428
Tetradecanedioic acid	1699721	1660380	2251719	1151170	2718304	1402983	1457501	2239564	1598050	1452531	1448867	1460684	2163852	2326454	2502689	1009355	1595616	1348203	2391889	1267321
Thr-Glu	252124	141880	180910	214342	192071	210664	208186	188602	181206	267397	274889	142326	378003	284641	276402	207788	89249	224803	124793	138107
Threonic acid	53908464	46340038	36842164	39622180	56322928	31121344	34059594	32410199	22289289	45989514	47618578	32772285	66647072	45248958	67969264	44314448	45794730	49058886	28657374	43895398
Threonine	39398320	23480198	19871288	19310930	41380156	23912002	31380732	23562962	21965692	31088996	45702852	25160864	33720536	25511586	31963750	24971930	23239242	28122172	14666863	26172010
Thymidine	4182600	5147798	4484492	5136582	4329668	4268792	4804583	4684141	5651417	4090054	3741680	4178231	4480403	4297580	5497367	5533648	4680694	4801902	4910032	5366659
Tryptophan	1662685	1219385	1364666	1246017	2144647	1278562	1572781	1582975	1151550	1915132	2232868	1242730	1445403	1073626	1294762	1582942	1268439	1315389	1041910	1787318
Undecanedioic acid	655267	567992	653753	443585	603859	588181	434369	752955	649146	693118	692295	659228	552338	554178	693609	464159	538820	415248	775919	481489
Uracil	29666032	22397156	34745656	23080240	25993314	28929314	27037368	36508556	33887776	30334642	35713168	28554198	32079848	31731742	30191436	25363064	26807798	22127190	32255368	28394240
Uridine	105825128	84624576	75586552	80377208	51355240	60974720	79421736	78541872	106593672	98087640	102586616	80316048	110756440	94568976	99335008	65581320	68712568	75177744	74030752	88181416
Urocanic acid	1696488	3012057	3239234	1507719	1711466	2284657	2291123	3371704	2697148	2314415	1435174	2422789	1636766	3788955	2283360	1942250	2944157	2009358	2755346	2597094
Valine	932526	485339	585241	434507	874908	624403	819947	731781	589426	719406	903463	699942	884103	708692	788861	791195	696933	665416	601671	771627
Xanthine	92400120	97199464	86134688	80943472	83716896	76498424	83367192	88419880	109043136	89784464	94935160	72141352	112376448	102869480	82115432	102552688	100958024	99552928	72201984	109554520
Xanthosine	1493348	1201541	1218862	1142715	998766	884850	982780	1229670	1558405	1232206	1073476	973693	1520934	1482842	1356766	935560	1214987	884602	702297	1065684
beta-Hydroxymyristic acid	975166	1129725	1202709	1098899	937269	1006592	1261369	1306720	1140806	1013267	1180139	1498395	1050745	1310067	1146887	811931	818146	465719	1101355	846119
erythro-Sphinganine-1-phosphate	1293537	1098936	1129631	1228296	1189254	1300782	1610572	1179928	1443818	1167165	1329526	1183308	1385357	1323744	1209200	1184168	845755	1461291	1090211	1006910
Sphingosine 1-phosphate	2621488	2295421	2451485	2421705	2702806	2709301	3094166	2733857	2858492	2320554	2662789	2629021	2657614	2636062	2498833	2428464	1878162	2667876	2396927	2212064
Galactitol	2619608	2539811	3344376	2754410	3475260	3081730	3715054	3410431	3670008	2991347	4061990	2770070	2978110	2735642	2671018	3050992	3112001	3583412	2779095	3278402
gamma-Glutamylglutamine	2186001	1274631	870418	1599700	2092474	959730	1492361	1080576	935001	1629104	1895260	878511	2537158	1261029	2003909	821506	599979	1582941	1120534	1106149
gamma-Glutamylleucine	950542	577142	625965	611111	1041083	908687	1032688	713337	794360	1219663	1106763	667558	832990	733256	922948	905237	810750	792126	566426	792391
gamma-Glutamyltyrosine	342213	202307	221096	216006	480018	234293	278394	267090	220812	464155	590080	200317	347502	195594	265125	257951	274117	214717	196611	287225
LPC 14:0	1270621	1279568	1269270	1429732	1737878	1371758	1732654	1374749	1506051	1381406	1441774	1213393	1267936	1275399	1189838	1634686	1181447	1292407	1326756	1387983
LPC 16:0	132763504	128946312	129560088	133202008	138903200	135629760	143733664	135706544	153518576	133885384	137880592	126253632	138376352	125585520	136022608	136383808	120721696	128702296	115678704	134058528
LPC 16:1	3379771	2960940	3542063	3470470	4514168	3638183	4076732	3660400	3699333	3367937	3572299	3317598	3186517	3173236	3048652	3892998	2993106	3183840	3503277	3993602
LPC 18:0	81428440	71625032	71664936	79862464	81961232	77980968	86499720	77837720	90291488	83753672	86022464	71654208	75890928	76814912	80625416	83132416	71383080	81787032	66526864	78048296
LPC 18:1	26688672	26177230	27391366	27315146	33591936	27677300	31167608	28873156	27835770	28503974	25891464	25564924	27217466	28028692	28250182	28090798	25003822	28187170	27599872	29257006
LPC 18:2	94565040	89019544	78811608	83046584	104078216	86193240	93078824	78295064	65564028	92119920	84210600	76828296	81227992	80244296	80779240	83352336	80002952	73433688	95646192	91227016
LPC 18:3	1121467	1113015	1035821	1131182	1216801	1173925	1125868	1181290	917466	1054037	1022176	1066454	1030207	997542	980722	1008293	902280	791382	1227735	1212432
LPC 19:0	1499596	1301242	1481877	1505130	1495036	1370604	1595720	1587450	1820750	1366828	1460320	1427309	1761652	1535744	1580413	1579110	1267698	1319539	1207591	1406917
LPC 20:0	2304394	2042185	2052281	2572024	2054334	2354859	2230020	2173619	2828296	2009308	2138676	2122356	2285500	2339528	2375585	2278648	1800848	2141148	1213706	2086844
LPC 20:1	1292422	1229740	1263910	1294813	1642815	1360033	1642287	1316197	1449625	1304754	1432231	1288005	1201985	1157287	1323093	1542089	1203822	1221376	1088719	1488477
LPC 20:4	20202118	20134412	18733366	15742017	22693428	17075268	19719696	19354602	11766603	20536034	17993472	16678716	15288297	14998455	16224401	15633610	13639386	18032274	21978340	18328746
LPC 20:5	2972976	2816002	2351965	2464925	3373369	2669016	2869424	2497475	1711859	2873752	2458711	2251568	2171321	2413038	2483107	2758360	2645974	2421752	2954053	3444412
LPC 22:6	21776348	21225104	19251540	19433310	21732294	19112440	20674338	19624246	16261390	19753970	18606836	18805196	22184700	22704542	22953972	15916829	12952608	19079586	17297706	18479808
LPE 16:0	4717673	4782068	5440608	4847648	5609072	5494654	5739562	5536781	6754902	4984912	4875380	5353256	5616138	6173814	6788560	5077816	4381404	5129780	4291794	4739758
LPE 18:0	4626627	4682043	4924395	5270692	4845384	5099796	5723532	5498733	6542214	5244730	5480863	4939768	5064903	5528658	6100786	5033410	4457218	5221133	4631053	4484710
LPE 18:1	3732939	3107870	3360494	3523404	5148592	4887544	5456918	3592369	3676278	4833610	3949398	3586162	4106455	4610849	4404083	4978550	4235092	3827716	3066664	4310202
LPE 18:2	16942208	11315500	11504749	13929310	19400260	16989734	21891332	11450691	13030697	20504148	16958480	12769345	17423050	18915072	14103424	16659623	16642201	12176364	11431444	15437432
LPE 18:3	385654	263002	274464	305330	475028	429838	524819	272468	298519	473174	370515	262244	341829	405418	325902	376998	383167	263262	243500	370835
LPE 20:4	15028619	13116431	12833295	12433626	19226934	16639201	18091794	14216227	12475492	18848840	14580404	13620194	12489342	14725500	12270805	16494844	14258514	14122955	9056730	15425181
LPE 20:5	1900288	1490090	1437932	1683056	1977922	1906648	2065202	1514739	1484465	2188446	1575789	1611122	1951456	2147734	1660250	2203741	1970924	1698582	1162302	2126340
LPE 22:6	19577234	16572764	17522444	18098418	24014544	21205706	21963164	18841500	21535090	22502512	19508684	19293572	19762786	23281510	18152664	21195666	18719904	18364810	10384193	19497786
Myo-inositol	7998759	6751783	7309564	7003732	7975430	7893103	8970023	7410848	8940118	7560606	8046270	7384224	8875961	8886304	9268933	7342485	8106036	7960376	8082380	8157128
p-Hydroxyphenyllactic acid	8404984	10942760	13076374	12986456	15944291	11119257	12194095	13129308	16033440	26504152	31054632	12796751	11541869	13251091	10664054	12406728	11811898	19273390	7436461	11514311
rac-Glycerol 3-phosphoate	8033459	5382095	7801506	5578530	8514587	7379275	8846413	7976199	8087621	6881136	9223223	7659322	7568288	8219352	7328132	7247716	7017004	6326814	5183164	6220080
Suberic acid	5030665	3600220	4822308	4776614	2790701	3215196	2655047	5080035	5607725	6406576	7174787	4105288	5907580	6396862	6479234	4434197	5539779	2229488	3998854	5111784
Tiglylglycine	3896767	2663630	2276745	2467544	2763628	2506159	2663922	2457814	3065594	3791005	4569180	3814410	2681212	2691379	2117456	1963163	1600774	1663796	1975472	1926585
Traumatic acid	1990743	1219762	2559796	1005260	1953996	992496	840547	2858083	2528556	1237351	1441785	2079702	2011470	1947112	2565855	1025577	2574392	1086041	2258659	1460971

metabolite_name	AlignmentID	MSI	AvgMZ	AvgRt	INCHIKEY
Trehalose	1823	4	387.11407	8.931	HDTRYLNUVZCQOY-LIZSDCNHSA-N
(2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid	817	2	190.05	1.922	ILGMGHZPXRDCCS-UHFFFAOYSA-N
Tridecanedioic acid	1208	4	243.15939	1.32	DXNCZXXFRKPEPY-UHFFFAOYSA-N
1,3-Cyclohexanedicarboxylic acid	646	4	171.06522	1.707	XBZSBBLNHFMTEB-UHFFFAOYSA-N
1,4-Cyclohexanedicarboxylic acid	645	2,4	171.06505	1.821	PXGZQGDTEZPERC-UHFFFAOYSA-N
Glucosan	581	4	161.04446	7.756	TWNIBLMWSKIRAT-VFUOTHLCSA-N
LPC P-16:0 or LPC O-16:1	1976	4	524.33435	5.391	HTZINLFNXLXRBC-CQLBIITFSA-N
1-(9Z-Octadecenyl)-sn-glycero-3-phosphoethanolamine	1923	4	464.31476	5.58	CDONWGCJDDHTLP-KTKRTIGZSA-N
1-Heptadecanoyl-sn-glycero-3-phosphocholine	1993	4	554.34521	5.513	SRRQPVVYXBTRQK-XMMPIXPASA-N
PC 16:0/20:4	2095	4	826.56036	4.472	IIZPXYDJLKNOIY-JXPKJXOSSA-N
PC 16:0/22:6	2102	4	850.56024	4.447	IESVDEZGAHUQJU-ZLBXKVHBSA-N
PC 16:0/18:2	2088	4	802.56006	4.567	JLPULHDHAOZNQI-ZTIMHPMXSA-N
1-Stearoyl-2-arachidonoyl-sn-glycero-3-phospho-(1'-myo-inositol)	2111	4	885.54974	5.81	KRTOMQDUKGRFDJ-MWZLTEOLSA-N
12S-HETE	1638	4	319.22699	1.04	ZNHVWPKMFKADKW-LQWMCKPYSA-N
Coriolic acid	1527	4	295.22702	1.054	HNICUWMFWZBIFP-BSZOFBHHSA-N
14-HDoHE	1725	4	343.22702	1.038	ZNEBXONKCYFJAF-BGKMTWLOSA-N
2'-O-Methyluridine	1290	2	257.07721	2.347	SXUXMRMBWZCMEN-ZOQUXTDFSA-N
2,6-Dihydroxybenzoic acid	513	4	153.0182	1.121	AKEUNCKRJATALU-UHFFFAOYSA-N
2-Benzothiazolesulfonic acid	997	3	213.96294	1.272	ZCXGMSGCBDSEOY-UHFFFAOYSA-N
Deoxyuridine	1102	1	227.06664	3.052	MXHRCPNRJAMMIM-SHYZEUOFSA-N
2-Hydroxyglutaric acid	480	3	147.02888	8.067	HWXBTNAVRSUOJR-UHFFFAOYSA-N
2-Hydroxyisobutyric acid	153	1	103.03886	2.705	BWLBGMIXKSTLSX-UHFFFAOYSA-N
2-Hydroxyphenylacetic acid	501	1,4	151.03888	1.507	CCVYRRGZDBSHFU-UHFFFAOYSA-N
2-Hydroxyquinoline	440	1,4	144.04442	1.079	LISFMEBWQUVKPJ-UHFFFAOYSA-N
2-Mercaptobenzothiazole	618	3	165.97798	1.087	YXIWHUQXZSMYRE-UHFFFAOYSA-N
2-Phosphoglyceric acid	752	4	184.98468	9.534	GXIURPTVHJPJLF-UWTATZPHSA-N
3-Hydroxybutyric acid	152	2	103.03883	1.787	WHBMMWSBFZVSSR-UHFFFAOYSA-N
10-Hydroxydecanoic acid	789	4	187.13301	1.263	FYSSBMZUBSBFJL-UHFFFAOYSA-N
3-Hydroxydodecanoic acid	1020	4	215.16443	1.24	MUCMKTPAZLSKTL-UHFFFAOYSA-N
3-Hydroxyoctanoic acid	563	4	159.1017	1.298	NDPLAKGOSZHTPH-UHFFFAOYSA-N
3-Methyl-4-nitrophenol	509	4	152.03406	1.042	PIIZYNQECPTVEO-UHFFFAOYSA-N
Phenyllactic acid	617	1	165.05453	1.975	VOXXWSYKYCBWHO-UHFFFAOYSA-N
4-Acetamidobutanoic acid	444	2	144.06543	2.139	UZTFMUBKZQVKLK-UHFFFAOYSA-N
4-Guanidinobutanoic acid	447	2	144.07678	7.536	TUHVEAJXIMEOSA-UHFFFAOYSA-N
4-Hydroxybenzaldehyde	276	1,4	121.02833	1.095	RGHHSNMVTDWUBI-UHFFFAOYSA-N
4-Hydroxybenzoic acid	402	1,4	137.02333	1.447	FJKROLUGYXJWQN-UHFFFAOYSA-N
4-Hydroxyquinoline-2-carbaldehyde	655	4	172.0394	1.099	PCPFJNLCUUEVDQ-UHFFFAOYSA-N
4-Nitrophenol	406	1	138.01848	1.062	BTJIUGUIPKRLHP-UHFFFAOYSA-N
4-Pyridoxic acid	730	2	182.04469	2.72	HXACOUQIXZGNBF-UHFFFAOYSA-N
6alpha-Mannobiose	1915	4	455.10168	8.405	AYRXSINWFIIFAE-JGLDSSSWSA-N
9-Fluorenone	707	4	179.05513	8.068	YLQWCDOCJODRMT-UHFFFAOYSA-N
9-Hydroperoxy-10E,12Z-octadecadienoic acid	1520	4	293.21109	1.058	JGUNZIWGNMQSBM-ZJHFMPGASA-N
Adipic acid	463	1	145.04956	2.017	WNLRTRBMVRJNCN-UHFFFAOYSA-N
Alanine	76	2	88.03925	8.049	QNAYBMKLOCPYGJ-REOHCLBHSA-N
Allantoin	535	1	157.0356	5.592	POJWUDADGALRAB-UHFFFAOYSA-N
Anserine	1178	1	239.11438	9.52	MYYIAHXIVFADCU-QMMMGPOBSA-N
Arabitol	502	1,4	151.06009	6.977	HEBKCHPVOIAQTA-QWWZWVQMSA-N
Arginine	666	1	173.10327	9.47	ODKSFYDXXFIFQN-BYPYZUCNSA-N
Asp-Asn	1229	3	246.07288	9.762	VGRHZPNRCLAHQA-IMJSIDKUSA-N
Asp-Asp	1231	3	247.05656	9.587	FRYULLIZUDQONW-IMJSIDKUSA-N
Asp-Leu	1223	4	245.11353	8.118	ZVDPYSVOZFINEE-BQBZGAKWSA-N
Aspartic acid	355	1	132.02911	9.211	CKLJMWTZIZZHCS-REOHCLBHSA-N
Azelaic acid	785	1	187.0966	1.435	BDJRBEYXGGNYIS-UHFFFAOYSA-N
1,2,4-Trihydroxybenzene	287	1	125.02318	1.392	GGNQRNBDZQJCCN-UHFFFAOYSA-N
3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid	1177	2	239.09186	1.441	WMCQWXZMVIETAO-UHFFFAOYSA-N
Carnosine	1085	1	225.09839	9.556	CQOVPNPJLQNMDC-ZETCQYMHSA-N
Cholesterol sulfate	1926	4	465.30383	1.12	BHYOQNUELFTYRT-DPAQBDIFSA-N
Citric acid	828	1	191.01872	9.411	KRKNYBCHXYNGOX-UHFFFAOYSA-N
Citrulline	671	1	174.08733	8.804	RHGKLRLOHDJJDR-BYPYZUCNSA-N
Creatinine	183	1	112.0507	4.82	DDRJAANPRJIHGJ-UHFFFAOYSA-N
Cysteine-glutathione disulfide	1880	3	425.0799	10.114	BNRXZEPOHPEEAS-UHFFFAOYSA-N
Cystine	1173	2	239.01581	9.927	LEVWYRKDKASIDU-IMJSIDKUSA-N
Cytidine	1201	1	242.07773	6.869	UHDGCWIWMRVCDJ-XVFCMESISA-N
Daidzein	1265	2	253.05026	1.14	ZQSIJRDFPHDXIC-UHFFFAOYSA-N
Dodecanedioic acid	1122	4	229.14389	1.31	TVIDDXQYHWJXFK-UHFFFAOYSA-N
Dodecylbenzenesulfonic acid	1653	3	325.18222	1.126	KWXICGTUELOLSQ-UHFFFAOYSA-N
Ergothioneine	1115	1	228.08052	7.818	SSISHJJTAXXQAX-ZETCQYMHSA-N
Erythronolactone	249	1,4	117.01809	3.976	SGMJBNSHAZVGMC-PWNYCUMCSA-N
Fructose 1-phosphate	1306	4	259.02274	9.516	ZKLLSNQJRLJIGT-UYFOZJQFSA-N
Fumaric acid	215	1,4	115.00267	1.705	VZCYOOQTPOCHFL-OWOJBTEDSA-N
Gentianose	1991	4	549.16705	9.532	MUPFEKGTMRGPLJ-WSCXOGSTSA-N
Glu-Lys	1414	3	274.14047	9.833	BBBXWRGITSUJPB-YUMQZZPRSA-N
Glu-Thr	1234	1	247.09288	9.36	JSIQVRIXMINMTA-ZDLURKLDSA-N
Gluconic acid	853	3	195.04999	9.55	RGHNJXZEOKUKBD-SQOUGZDYSA-N
Glucosamine 6-phosphate	1297	2,4	258.03781	9.636	XHMJOUIAFHJHBW-UKFBFLRUSA-N
Glucuronic acid	839	1,4	193.03467	9.142	AEMOLEFTQBMNLQ-AQKNRBDQSA-N
Glutamic acid	470	1	146.04466	8.73	WHUUTDBJXJRKMK-VKHMYHEASA-N
Glutamine	464	1	145.06056	8.572	ZDXPYRJPNDTMRX-VKHMYHEASA-N
Glutaric acid	345	1	131.03386	2.666	JFCQEDHGNNZCLN-UHFFFAOYSA-N
Glutathione	2034	1	611.14386	10.166	YPZRWBKMTBYPTK-BJDJZHNGSA-N
Gly-Asp	810	3	189.05081	9.194	SCCPDJAQCXWPTF-VKHMYHEASA-N
Gly-Glu	934	3	203.06659	9.07	IEFJWDNGDZAYNZ-BYPYZUCNSA-N
Glyceraldehyde	85	1	89.02325	7.755	MNQZXJOMYWMBOU-UHFFFAOYSA-N
Guanidoacetic acid	234	2	116.04555	8.178	BPMFZUMJYQTVII-UHFFFAOYSA-N
Hippuric acid	698	2	178.05022	2.881	QIAFMBKCNZACKA-UHFFFAOYSA-N
Hexadecanedioic acid	1462	3	285.20667	1.252	QQHJDPROMQRDLA-UHFFFAOYSA-N
Hexanoylglycine	657	3	172.09685	2.256	UPCKIPHSXMXJOX-UHFFFAOYSA-N
Histidine	517	1	154.06105	9.464	HNDVDQJCIGZPNO-YFKPBYRVSA-N
Hypotaurine	165	1	108.01129	8.053	VVIUBCNYACGLLV-UHFFFAOYSA-N
Hypoxanthine	392	1	135.03012	4.866	FDGQSTZJBFJUBT-UHFFFAOYSA-N
Indolelactic acid	944	1	204.06573	2.205	XGILAAMKEQUXLS-UHFFFAOYSA-N
Inosine	1363	1	267.07291	6.221	UGQMRVRMYYASKQ-KQYNXXCUSA-N
Isoleucine	336	2	130.08633	7.174	AGPKZVBTJJNPAG-WHFBIAKZSA-N
Kynurenic acid	797	2	188.03424	6.191	HCZHHEIFKROPDY-UHFFFAOYSA-N
Leucine	335	2	130.0863	6.989	ROHFNLRQFUQHCH-YFKPBYRVSA-N
Lysine	468	2	145.09711	9.555	KDXKERNSBIXSRK-YFKPBYRVSA-N
Malic acid	369	1	133.01311	9.521	BJEPYKJPYRNKOW-UWTATZPHSA-N
Mannose 6-phosphate	1305	4	259.02219	9.79	NBSCHQHZLSJFNQ-QTVWNMPRSA-N
Methionine sulfoxide	604	1	164.03764	8.545	QEFRNWWLZKMPFJ-YGVKFDHGSA-N
Methylsuccinic acid	343	1	131.0338	2.602	WXUAQHNMJWJLTG-UHFFFAOYSA-N
Dimethylarginine	915	2	201.13481	8.958	NWGZOALPWZDXNG-UHFFFAOYSA-N
N-Acetylalanine	327	3	130.0499	4.537	KTHDTJVBEPMMGL-UHFFFAOYSA-N
N-Acetylphenylalanine	951	1	206.08136	2.413	CBQJSKKFNMDLON-UHFFFAOYSA-N
N-Acetyltyrosine	1064	1	222.0762	4.652	CAHKINHBCWCHCF-JTQLQIEISA-N
N-Acetylhistidine	863	1	196.07178	8.09	KBOJOGQFRVVWBH-ZETCQYMHSA-N
N-Acetylleucine	656	1	172.09685	2.015	WXNXCEHXYPACJF-ZETCQYMHSA-N
N-Acetyl-mannosamine	1058	2	220.08177	7.165	OVRNDRQMDRJTHS-ZTVVOAFPSA-N
N-Acetylmethionine	819	1	190.05327	2.992	XUYPXLNMDZIRQH-UHFFFAOYSA-N
N-Acetyl-tryptophan	1222	1	245.09251	2.675	DZTHIGRZJZPRDV-LBPRGKRZSA-N
N-Isobutyrylglycine	443	1	144.0654	3.416	DCICDMMXFIELDF-UHFFFAOYSA-N
Isovalerylglycine	547	1	158.08116	2.688	ZRQXMKMBBMNNQC-UHFFFAOYSA-N
N-Methyl-glutamic acid	570	2,4	160.06049	8.408	XLBVNMSMFQMKEY-UHFFFAOYSA-N
N-Acetylornithine	665	3	173.09207	8.237	JRLGPAXAGHMNOL-LURJTMIESA-N
N6-Acetyllysine	786	2	187.10776	8.064	DTERQYGMUDWYAZ-ZETCQYMHSA-N
N(2)-Acetyllysine	787	3	187.10791	8.194	VEYYWZRYIYDQJM-ZETCQYMHSA-N
Phosphoethanolamine	416	2	140.01076	9.252	SUHOOTKUPISOBE-UHFFFAOYSA-N
Ophthalmic acid	1483	3	288.11948	8.94	SPLUHYDIQKURQW-UHFFFAOYSA-N
Octadecanedioic acid	1613	1,4	313.23792	1.212	BNJOQKFENDDGSC-UHFFFAOYSA-N
Orotic acid	520	1	155.00874	7.379	PXQPEWDEAKTCGB-UHFFFAOYSA-N
Oxalic acid mono(N-methyl)amide	143	3	102.0185	6.765	FMNLVGDFBCBTJZ-UHFFFAOYSA-N
PC 36:5	2094	4	824.54492	4.49	KLTHQSWIRFFBRI-KAILQLNHNA-N
PI 34:2	2099	4	833.5188	5.891	DFJJYXXHARGOCR-SIICFRSJNA-N
PI 36:4	2105	4	857.51935	5.838	KIQYUSYSJTUGFZ-JFAKETHINA-N
SM 18:1;O2/16:0	2075	4	747.56573	5.254	RWKUXQNLWDTSLO-GWQJGLRPSA-N
Pantothenic acid	1051	1	218.10254	3.274	GHOKWGTUZJEAQD-ZETCQYMHSA-N
Phenylalanine	605	1	164.07066	6.861	COLNVLDHVKWLRT-QMMMGPOBSA-N
Phenylpyruvic acid	599	1,4	163.03908	1.402	BTNMPGBKDVTSJY-UHFFFAOYSA-N
Phosphoenolpyruvic acid	624	1	166.97418	9.045	DTBNBXWJWCWCIK-UHFFFAOYSA-N
Phosphoric acid	107	1	96.95883	9.951	NBIIXXVUZAFLBC-UHFFFAOYSA-N
Phthalic acid	611	1	165.01805	1.731	XNGIFLGASWRNHJ-UHFFFAOYSA-N
Pimelic acid	560	1,4	159.06525	1.721	WLJVNTCWHIRURA-UHFFFAOYSA-N
Propionic acid	27	1	73.02843	1.711	XBDQKXXYIPTUBI-UHFFFAOYSA-N
Pseudouridine	1206	1	243.06152	6.965	PTJWIQPHWPFNBW-GBNDHIKLSA-N
Pyroglutamic acid	309	1	128.03412	7.745	ODHCTXKNWHHXJC-VKHMYHEASA-N
Pyruvic acid	63	2	87.00764	5.186	LCTONWCANYUPML-UHFFFAOYSA-N
Ribose 5-phosphate	1117	1,4	229.01128	9.058	KTVPXOYAKDPRHY-AIHAYLRMSA-N
Cysteine-S-sulfate	894	3	199.96837	7.987	NOKPBJYHPHHWAN-REOHCLBHSA-N
Sebacic acid	912	1	201.11218	1.388	CXMXRPHRNRROMY-UHFFFAOYSA-N
Serine	158	1	104.03416	8.637	MTCFGRXMJLQNBG-REOHCLBHSA-N
Sorbose	706	1,4	179.05504	7.517	BJHIKXHVCXFQLS-OTWZMJIISA-N
Succinic acid	248	1,4	117.01803	3.669	KDYFGRWQOYBRFD-UHFFFAOYSA-N
Sulfoacetic acid	408	3	138.96954	8.221	AGGIJOLULBJGTQ-UHFFFAOYSA-N
trans-4-Hydroxyproline	329	2	130.05014	8.071	PMMYEEVYMWASQN-DMTCNVIQSA-N
D-Tagatose	705	1,4	179.05499	7.748	BJHIKXHVCXFQLS-PQLUHFTBSA-N
Taurine	280	1	124.00616	7.75	XOAAWQZATWQOTB-UHFFFAOYSA-N
Taurocholic acid	1968	2,4	514.2829	6.196	WBWWGRHZICKQGZ-HZAMXZRMSA-N
Tetradecanedioic acid	1291	4	257.1752	1.302	HQHCYKULIHKCEB-UHFFFAOYSA-N
Thr-Glu	1235	3	247.093	8.971	BECPPKYKPSRKCP-XAHCXIQSSA-N
Threonic acid	389	1	135.02879	9.549	JPIJQSOTBSSVTP-GBXIJSLDSA-N
Threonine	259	1	118.04976	8.246	AYFVYJQAPQTCCC-GBXIJSLDSA-N
Thymidine	1190	2	241.08229	2.656	IQFYYKKMVGJFEH-XLPZGREQSA-N
Tryptophan	936	1	203.0817	6.827	QIVBCDIJIAJPQS-VIFPVBQESA-N
Undecanedioic acid	1019	4	215.12802	1.356	LWBHHRRTOZQPDM-UHFFFAOYSA-N
Uracil	178	2	111.01887	2.374	ISAKRJDGNUQOIC-UHFFFAOYSA-N
Uridine	1207	1	243.06154	4.844	DRTQHJPVMGBUCF-XVFCMESISA-N
Urocanic acid	404	1	137.03465	3.443	LOIYMIARKYCTBW-OWOJBTEDSA-N
Valine	235	2	116.07046	7.761	KZSNJWFQEVHDMF-BYPYZUCNSA-N
Xanthine	498	3	151.02495	5.561	LRFVTYWOQMYALW-UHFFFAOYSA-N
Xanthosine	1449	1	283.06784	7.261	UBORTCNDUKBEOP-UUOKFMHZSA-N
beta-Hydroxymyristic acid	1210	2	243.19609	1.218	ATRNZOYKSNPPBF-UHFFFAOYSA-N
erythro-Sphinganine-1-phosphate	1807	3	380.25626	6.304	YHEDRJPUIRMZMP-ZWKOTPCHSA-N
Sphingosine 1-phosphate	1803	3	378.24057	6.276	DUYSYHSSBDVJSM-KRWOKUGFSA-N
Galactitol	724	2,4	181.07333	7.733	FBPFZTCFMRRESA-GUCUJZIJSA-N
gamma-Glutamylglutamine	1413	1	274.10394	9.56	JBFYFLXEJFQWMU-WDSKDSINSA-N
gamma-Glutamylleucine	1312	1	259.12936	7.989	MYFMARDICOWMQP-YUMQZZPRSA-N
gamma-Glutamyltyrosine	1588	1	309.10852	8.57	VVLXCWVSSLFQDS-QWRGUYRKSA-N
LPC 14:0	1965	3	512.29742	5.625	VXUOFDJKYGDUJI-RNZRUAGMNA-N
LPC 16:0	1986	3	540.32941	5.551	ASWBNKHCZGQVJV-QWVACARCNA-N
LPC 16:1	1982	4	538.31409	5.577	JBFBGNHYRPBNML-IQZBKSPKNA-N
LPC 18:0	2007	4	568.36053	5.484	IHNKQIMGVNPMTC-KSYWNVGFNA-N
LPC 18:1	2004	4	566.3443	5.504	PZRFVAHZNWPPAC-HLZANXBCNA-N
LPC 18:2	2002	4	564.32892	5.532	CLDXAAPENVNFAW-BVADBSETNA-N
LPC 18:3	2000	4	562.31378	5.558	MRTUWVDDQVMUCR-ZRRYZNKENA-N
LPC 19:0	2013	4	582.37762	5.455	WYIMORDZGCUBAA-CYLJNIGPNA-N
LPC 20:0	2025	3	596.39233	5.429	UATOAILWGVYRQS-XUESUEPENA-N
LPC 20:1	2022	4	594.37622	5.449	YYSFWGQAKJTHRE-XHYXUQTBNA-N
LPC 20:4	2019	4	588.32947	5.479	LAXQYRRMGGEGOH-KMKMFGRZNA-N
LPC 20:5	2018	4	586.31421	5.508	PDIGSOAOQOXRDU-LANPRYRONA-N
LPC 22:6	2036	4	612.32947	5.46	LSOWKZULVQWMLY-OWEVOAQNNA-N
LPE 16:0	1908	4	452.27771	5.794	YVYMBNSKXOXSKW-GNLPSFAGNA-N
LPE 18:0	1941	4	480.30865	5.733	BBYWOYAFBUOUFP-ANBDAQEENA-N
LPE 18:1	1937	4	478.29279	5.749	WAYKKNOEMJFLDI-IBILSUDKNA-N
LPE 18:2	1935	4	476.27713	5.779	JPISVYYBZRAENZ-JVFIUPCPNA-N
LPE 18:3	1934	4	474.26208	5.803	QULMFYLWLOKODU-ZFIPNOPZNA-N
LPE 20:4	1953	4	500.27731	5.725	ROPRRXYVXLDXQO-IVTZGTMENA-N
LPE 20:5	1949	4	498.26212	5.753	KCWGBXXAJHVZNN-HGPHLNGRNA-N
LPE 22:6	1974	4	524.2771	5.708	XEVRBOQZSXWGQO-YUYXEHIYNA-N
Myo-inositol	1083	4	225.06094	8.794	CDAISMWEOUEBRE-GPIVLXJGSA-N
p-Hydroxyphenyllactic acid	723	1	181.04951	3.473	JVGVDSSUAVXRDY-UHFFFAOYSA-N
rac-Glycerol 3-phosphoate	640	3	171.00529	8.912	AWUCVROLDVIAJX-VKHMYHEASA-N
Suberic acid	663	1	173.08086	1.571	TYFQFVWCELRYAO-UHFFFAOYSA-N
Tiglylglycine	528	2	156.06549	2.934	WRUSVQOKJIDBLP-HWKANZROSA-N
Traumatic acid	1107	4	227.12807	1.359	MAZWDMBCPDUFDJ-VQHVLOKHSA-N