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Analysis: MS

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
12-Hydroxy-12-octadecanoylcarnitine-ME475789--4.670464252-
1,6-diaminohexane-ME475788--14.4681469-
17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one...-ME475790-C153313.504411526-
1-butanesulfonate-ME475791--9.156457193-
1-Deoxy-D-altro-heptulose 7-phosphate1-Deoxy-D-altro-heptulose 7-phosphateME475792-C0435915.22384994-
21:1(7Z)-ME475796--7.359681765-
2,3-dioctanoylglyceramide-ME475794--4.998242878-
(24R,24'R)-Fucosterol epoxide(3beta,24R,24'R)-Fucosterol epoxideME475762-C039103.70805417-
2,7-Anhydro-alpha-N-acetylneuraminic acidN-Acetyl-2,7-anhydro-alpha-neuraminic acidME475795-C0452113.02474086-
2-Amino-9,10-epoxy-8-oxodecanoic acid2-Amino-9,10-epoxy-8-oxodecanoic acidME475797-C1202711.77513841-
2-Aminobenzenesulfonate2-Aminobenzenesulfonic acidME475798-C063338.320698239-
2-(beta-D-Glucosyl)-sn-glycerol-ME475793-C1154612.99201955-
2-HexenoylcarnitineCAR 6:1ME475799--9.403334872-
2-Hydroxyethylphosphonate2-Hydroxyethylphosphonic acidME475800-C0645113.06829487-
2-HydroxylauroylcarnitineCAR 12:0;OHME475801--4.992247321-
2-Hydroxymyristoylcarnitine-ME475802--4.922952139-
2-MethylbutyroylcarnitineCAR 4:0;2MeME475803--7.491019709-
2-Methylcholine2-MethylcholineME475804-C0222418.39300506-
2-nonaprenyl-3-methyl-6-methoxy-1,4-benzoquinone-ME475805--4.435441192-
2'-O-Methyladenosine2'-O-MethyladenosineME475806-C0477914.99473561-
3-(2,3-Dihydroxyphenyl)propanoate-ME475807-C040448.350269239-
3-[4-amino-3-hydroxybutyl]-hydroxy-carbamoyl-propa...-ME475810--11.14476147-
3,4-Dehydrothiomorpholine-3-carboxylate-ME475808-C044457.575154622-
3',5'-Cyclic AMP3',5' cyclic AMPME475809-C005759.252329333-
3-acetamidopropanalAcetamidopropanalME475811--7.570123245-
3-Aminobenzenesulfonate-ME475812-C063345.838713179-
3-Butynoate3-Butynoic acidME475813-C0614410.31073047-
3'-CMP3'-CMPME475814-C0582215.23717771-
3-Dehydroquinate3-DehydroquinateME475815-C0094411.03836417-
3-deoxy-D-galactose3-DeoxygalactoseME475816--12.24378958-
3-Hydroxy-11Z-octadecenoylcarnitine-ME475817--4.679411825-
3-Hydroxy-5, 8-tetradecadiencarnitine-ME475818--4.972489312-
3-Hydroxy-9-hexadecenoylcarnitineCAR 16:1;OHME475819--4.710198951-
3-Hydroxy-cis-5-tetradecenoylcarnitineCAR 14:1;OHME475820--4.950011299-
3-HydroxyhexadecanoylcarnitineCAR 16:0;3OHME475821--4.760395715-
3-Hydroxyhexobarbital-ME475822-C030687.411103346-
3-Hydroxykynurenamine3-HydroxykynurenamineME475823-C0563613.39866557-
3-Ketosphingosine3-KetosphingosineME475824-C061215.934652694-
3-MethylglutarylcarnitineCAR DC5:0;3MeME475825--11.70603144-
3-Methylguanine3-MethylguanineME475826-C0223012.18391473-
3-nitro-2-butanol-ME475827--6.207919804-
3-Phospho-D-glycerate3-Phosphoglyceric acidME475828-C0019717.50628739-
(3R)-hydroxy-N-acetyl-(L)-arginine-ME475763--12.52944457-
3-UreidopropionateUreidopropionic acidME475829-C0264211.92860842-
4-Aminobenzenesulfonate-ME475831-C063355.278552877-
4-Aminobutanoategamma-Aminobutyric acidME475832-C0033415.1059586-
4-coumaroyl-3-hydroxyagmatine-ME475833--14.28274259-
4-Guanidinobutanoate4-Guanidinobutanoic acidME475834-C0103514.66378488-
4-Imidazolone-5-propanoate4-Imidazolone-5-propionic acidME475835-C0368011.05580065-
4-Nitroaniline4-NitroanilineME475836-C021268.957378256-
4-(Trimethylammonio)but-2-enoate(E)-4-(Trimethylammonio)but-2-enoateME475830-C0411410.10679808-
4-Trimethylammoniobutanoate3-DehydroxycarnitineME475837-C0118112.69878737-
5,6-DihydrothymineDihydrothymineME475838-C0090614.39277162-
5-Acetamidopentanoate5-Acetamidovaleric acidME475839-C0308712.22599151-
5-Aminolevulinate5-Amino-levulinic acidME475840-C0043014.08403379-
5'-Butyrylphosphouridine-ME475841-C0643614.45496028-
5'-Dehydroadenosine5'-DehydroadenosineME475842-C1150010.02740917-
5'-deoxyuridine-ME475843--10.12732501-
5-Hydroxyindoleacetate5-Hydroxyindoleacetic acidME475845-C0563513.62968428-
5-hydroxyindole thiazolidine carboxylate-ME475844--8.947918559-
5-Methyl-2'-deoxycytidine5-Methyl-2'-deoxycytidineME475846-C035928.91484361-
5'-Methylthioadenosine5'-MethylthioadenosineME475847-C001706.110239077-
5-Methylthio-D-ribose5-MethylthioriboseME475848-C030899.457807449-
5'-methylthioformycin-ME475849--7.385656317-
5-Oxo-1,2-campholide5-Oxo-1,2-campholideME475850-C029527.672634857-
5-OxoprolinePyroglutamic acidME475851-C0187910.15934245-
6-Acetamido-2-oxohexanoate2-Keto-6-acetamidocaproic acidME475852-C055487.754944449-
6-Acetamido-3-aminohexanoate-ME475853-C0384612.23398585-
6-Amino-2-oxohexanoate2-Keto-6-aminocaproateME475854-C0323914.79534702-
6-Hydroxyl-1,6-dihydropurine ribonucleoside6-Hydroxyl-1,6-dihydropurine ribonucleosideME475855-C0458315.00814446-
6-methyltetrahydropterin6-MethyltetrahydropterinME475856--9.877093697-
(6R)-6-(L-Erythro-1,2-Dihydroxypropyl)-5,6,7,8-tet...-ME475764-C0648611.70724554-
7-Methylguanine7-MethylguanineME475857-C022429.298061467-
8-Amino-7-oxononanoate8-Amino-7-oxononanoic acidME475858-C0109210.96630711-
8-keto-7-aminoperlagonate-ME475859--4.996887683-
9-mercaptodethiobiotin-ME475860--8.380037486-
9S,11R,15S-trihydroxy-17-phenyl-18,19,20-trinor-5Z...-ME475861--8.759011078-
(Ac)2-L-Lys-D-Ala(Ac)2-L-Lys-D-AlaME475765-C0248711.00603126-
a Cysteine adduct-ME475862--15.62410636-
AdenineAdenineME475863-C001479.068562579-
AdenosineAdenosineME475864-C002128.544490899-
ADPADPME475865-C0000815.17958448-
ADP-D-glycero-D-manno-heptoseADP-D-glycero-beta-D-manno-heptoseME475866-C0639715.34276664-
ADP-riboseADP-riboseME475867-C0030114.86519819-
ADPribose 2'-phosphateADP-ribose 2'-phosphateME475868-C0324619.18204918-
A-Ketoglutaricacidoximealpha-Ketoglutaric acid oximeME475869--8.115053177-
Ala-Asn-Asp-Cys-ME475870--15.22911549-
AlliinAlliinME475871-C082658.718014272-
AllysineAllysineME475872-C0147512.78665913-
alpha-(2,6-anhydro-3-deoxy-D-arabino-heptulopyrano...-ME475757--16.28181205-
alpha,alpha'-Trehalose 6-mycolate-ME475873-C042183.493307478-
alpha-oxo-1-carboxy-5,6-dihydrothiopyranpropanoate...-ME475758--15.54137927-
alpha-Ribazolealpha-RibazoleME475874-C057757.813871274-
AMPAMPME475875-C0002013.39416232-
AnhydrotetracyclineAnhydrotetracyclineME475876-C0281115.3060958-
ArecolineArecolineME475877-C1012911.36414755-
Arg-OEtEthyl arginateME475878-C0140421.42898973-
AscorbateVitamin CME475879-C0007214.59794632-
Asp-Cys-Cys-SerS-Glutathionyl-cysteineME475880--16.937931-
benzenesulfonate-ME475881-D007597.4002247-
beta-Alanopine-ME475882-C0220711.00513725-
beta-Alanyl-L-argininebeta-Alanyl-L-arginineME475883-C0534016.22514199-
beta-Alanyl-L-lysine-ME475884-C0534116.23174993-
BetaineBetaineME475885-C0071910.75867424-
Betaine aldehydeBetaine aldehydeME475886-C0057610.21133485-
Boc-Asn-ME475887-C014107.517356346-
ButenylcarnitineCAR 4:1ME475888--8.878425768-
butyrylcholineButyrylcholineME475889--7.401065047-
CalophyllolideCalophyllolideME475890-C091587.388188887-
CaproylcholineCaproylcholineME475891--7.985283868-
CarnosineCarnosineME475892-C0038615.28009542-
CassineCassineME475893-C101367.301173015-
CDP-cholineCDP-cholineME475894-C0030714.91987089-
CDP-ethanolamineCDP-EthanolamineME475895-C0057016.1095747-
Cetraxate benzyl ester-ME475896-C032568.860190189-
CholineCholineME475897-C0011421.212005-
Choline phosphateCholine phosphateME475898-C0058814.34230471-
Choline sulfateCholine sulfateME475899-C0091911.04659583-
cis-4-Hydroxycyclohexylaceticacidcis-4-Hydroxycyclohexylacetic acidME475901--13.38149841-
cis-(homo)3aconitate-ME475900--10.29658958-
CitrateCitric acidME475902-C0015818.93452531-
CMPCMPME475903-C0005515.75843674-
CMP-N-acetylneuraminateCMP-N-acetylneuraminic acidME475904-C0012815.24161773-
CMP-N-glycoloylneuraminateCMP-N-glycoloylneuraminateME475905-C0369116.06289027-
CoformycinCoformycinME475906-C0167714.6241816-
Cordycepin-ME475907-C0843113.15553221-
CPD0-1656-ME475908--13.25571744-
CreatineCreatineME475909-C0030014.23984899-
CreatinineCreatinineME475910-C007919.331577555-
CystathionineketimineCystathionine ketimineME475911--7.777123439-
CytidineCytidineME475912-C0047511.53882671-
D-Alanyl-D-alanineD-Alanyl-D-AlanineME475913-C0099310.88340507-
DaminozideDaminozideME475914-C109967.415854022-
D-AspartateD-Aspartic acidME475915-C0040214.92051876-
DeoxycytidineDeoxycytidineME475916-C008819.971033872-
DeoxyinosineDeoxyinosineME475917-C055129.099321878-
D-Erythrose 4-phosphateErythrose 4-phosphateME475918-C0027912.70903865-
DethiobiotinDethiobiotinME475919-C019097.393832843-
DG(32:0)DG 32:0ME475920--5.478429206-
DG(34:2)DG 34:2ME475921--3.697717722-
DG(36:2)DG 36:2ME475922-C001653.70640262-
DG(38:5)DG 38:5ME475923--3.667193892-
D-GlucoseGlucoseME475924-C0022117.06147483-
D-Glucose 6-phosphateGlucose 6-phosphateME475925-C0009216.17223854-
D-GlutamineD-GlutamineME475926-C0081911.9745979-
DiethanolamineDiethanolamineME475927-C0677219.9959292-
Dihydrobiopterin4a-Carbinolamine tetrahydrobiopterinME475928-C0026812.05551259-
Dihydroclavaminic acidDihydroclavaminic acidME475929-C0665910.48304885-
dihydrothymidine5,6-DihydrothymidineME475930--15.06806613-
Dihydrozeatin riboside monophosphate-ME475931-C1644514.75869071-
dimethylsulfonio-2-hydroxybutyrate-ME475932--13.14347399-
di-n-Undecylamine-ME475933--7.407169088-
D-LysineD-LysineME475934-C0073920.89441424-
D-MannoseMannoseME475935-C0015914.22226821-
D-MycinoseMycinoseME475936-C119139.259412901-
D-myo-Inositol 1,2-cyclic phosphateInositol cyclic phosphateME475937-C0429916.0849535-
DodecanoylcarnitineCAR 12:0ME475938--4.785781515-
DopamineDopamineME475939-C037587.475564144-
D-PhenylalanineD-PhenylalanineME475940-C0226511.1756828-
D-Ribose 5-phosphateRibose 5-phosphateME475941-C0011715.68925799-
D-SorbitolSorbitolME475942-C0079413.73269388-
EctoineEctoineME475943-C0623112.48143989-
Epsilon-(gamma-Glutamyl)-lysineEpsilon-(gamma-Glutamyl)-lysineME475944--16.54682761-
ErgothioneineErgothioneineME475945-C0557014.56553503-
(-)-erythro-(2R,3R)-dihydroxybutylamide-ME475761-C111087.403282264-
Ethanolamine phosphatePhosphoethanolamineME475946-C0034615.48629368-
FA (14:2) tetradecadienal-ME475947--4.208135076-
[FA (16:2)] N-hexadecyl-ethanolamine-ME475772-C165125.966019821-
[FA (6:0)] O-hexanoyl-R-carnitineCAR 6:0ME475773--5.025223123-
[FA amino(14:0)] 2-amino-tetradecanoic acid2-Aminotetradecanoic acidME475774--4.198493586-
FA amino(18:0)-ME475948--5.50435942-
[FA amino(9:0)] 3R-aminononanoic acid3R-Aminononanoic acidME475775--5.736691944-
FADFADME475952-C0001611.06213852-
[FA hydroxy(10:0)] N-(3S-hydroxydecanoyl)-L-serine-ME475776--9.280845676-
[FA hydroxy(20:4)] 5S-hydroxy-12-keto-6Z,8E,10E,14...12-Oxo-LTB4ME475777-C059494.578554579-
FA hydroxy(6:0)-ME475949--9.047266735-
FA methyl(15:0) tridecanedioic acidTridecanedioic acidME475950--8.362745301-
[FA oxo(8:0)] 3-oxo-octanoic acid-ME475778--10.86659672-
FA oxo(9:0) oxo-nonanoic acidOxononanoic acidME475951--7.667810169-
[FA trihydroxy(20:4)] 5S,12R,20-trihydroxy-6Z,8E,1...20-Hydroxy LTB4ME475779-C048534.728605525-
formycin AFormycin AME475953--12.55608325-
FulvineFulvineME475954-C1030413.49728046-
Furfural2-FurancarboxaldehydeME475955-C1427913.40116321-
[Fv Trihydroxy,trimethy] 2',4',4''-Trihydroxy-3',6...-ME475780--8.968948453-
gamma-Glutamyl-gamma-aminobutyraldehydegamma-Glutamyl-gamma-aminobutyraldehydeME475956-C1570011.34944079-
gamma-glutamyl-L-alaninol-ME475759--12.83546451-
gamma-Glutamyl-Se-methylselenocysteinegamma-Glutamyl-Se-methylselenocysteineME475957-C0569516.26783107-
gamma-L-Glutamyl-L-cysteinyl-beta-alanineHomoglutathioneME475958-C0454412.58469431-
gamma-thiomethyl glutamate-ME475760--11.22933855-
GDP-L-fucoseGDP-L-fucoseME475959-C0032517.90279885-
GDP-mannoseGDP-mannoseME475960-C0009618.53930468-
Gibberellin A20Gibberellin A20ME475961-C020354.855562928-
Glu-GluGlu-GluME475962-C0142516.95138508-
glutamyl-beta-ketophosphonate-adenosine-ME475963--14.66450738-
GlutarylcarnitineCAR DC5:0ME475964--12.29075683-
GlutathioneGlutathioneME475965-C0005114.12124535-
Glutathione disulfideOxidized glutathioneME475966-C0012717.3942084-
Glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME475967-C0327412.59524548-
GMPGMPME475968-C0014416.75789083-
GuanidinoacetateGuanidoacetic acidME475969-C0058115.54086436-
GuanosineGuanosineME475970-C0038712.27476511-
HeptanoylcarnitineCAR 7:0ME475971--7.392395306-
HercynineHercynineME475972-C0557511.60042225-
HexanoylcarnitineCAR 6:0ME475973--7.407905722-
HomoarginineHomoarginineME475974-C0192422.66288501-
HomocarnosineHomocarnosineME475975-C0088413.66416138-
HomogentisateHomogentisic acidME475976-C005449.107605203-
Homostachydrine(S)-HomostachydrineME475977-C082839.342190922-
HydroxybutyrylcarnitineCAR 4:0;OHME475978--10.59204175-
HydroxyhexanoycarnitineCAR 6:0;OHME475979--8.372873138-
HypotaurineHypotaurineME475980-C0051914.74713608-
HypoxanthineHypoxanthineME475981-C002629.864293257-
Ile-Ala-LysIle-Ala-LysME475982--12.20287311-
IMPIMPME475983-C0013015.36591611-
IndoleIndoleME475984-C004639.652918954-
indole-3-acetyl-glutamine-ME475985--9.75487086-
Indole-3-acetyl-myo-inositol-ME475986-C038689.536639368-
Indoleamine-ME475987-C018195.996760941-
InosineInosineME475988-C0029410.53737179-
Isonicotineamide-ME475989-C024216.139558041-
IsovalerylcarnitineCAR 4:0;3MeME475990--6.203192956-
KDNalpha2-3Galbeta1-4Glcbeta-Cer(d42:2)-ME475991--7.396203726-
L-2-Amino-6-oxoheptanedioate-ME475992-C038719.45849994-
L-2-Aminoadipatealpha-Aminoadipic acidME475993-C0095614.74530935-
L-3-Amino-isobutanoatebeta-Aminoisobutyric acidME475994-C0328413.21889439-
LacCer(d18:0/14:0)LacCer 18:0;O2/14:0ME475995--3.781827001-
LactoseLactoseME475996-C0024315.74179798-
L-AlanineAlanineME475997-C0004114.48295701-
L-ArginineArginineME475998-C0006224.35434336-
L-AsparagineAsparagineME475999-C0015215.09214843-
L-Aspartate 4-semialdehydeAspartate-semialdehydeME476000-C004419.970247057-
L-CarnitineCarnitineME476001-C0048712.68982775-
L-CitrullineCitrullineME476002-C0032715.59843073-
L-GlutamineGlutamineME476003-C0006414.76980063-
L-HistidineHistidineME476004-C0013514.33333232-
L-HomocitrullineHomocitrullineME476005-C0242714.7399547-
LinamarinLinamarinME476006-C0159412.80619467-
Lipoxin C4Lipoxin C4ME476007--7.990222243-
L-isoleucyl-L-prolineIle-ProME476008--7.380905771-
L-KynurenineKynurenineME476009-C0032810.30914317-
L-LeucineLeucineME476010-C0012310.26703639-
L-LysineLysineME476011-C0004722.85188529-
L-MethionineMethionineME476012-C0007311.11284218-
L-Methionine S-oxideMethionine sulfoxideME476013-C0298913.04582351-
L-N2-(2-Carboxyethyl)arginine-ME476014-C0665513.55201994-
LoganateLoganic acidME476015-C015128.026912645-
L-OrnithineOrnithineME476016-C0007722.03651555-
LotaustralinLotaustralinME476017-C0833412.45176497-
L-PhenylalaninePhenylalanineME476018-C000799.642624537-
L-PipecolatePipecolic acidME476019-C0040811.87225915-
L-ProlineProlineME476020-C0014812.33206414-
L-Rhamnulose-ME476021-C0086111.73386761-
L-SerineSerineME476022-C0006515.62283583-
L-ThreonineThreonineME476023-C0018814.25924393-
L-TryptophanTryptophanME476024-C0007811.22638388-
L-TyrosineTyrosineME476025-C0008212.73445155-
L-ValineValineME476026-C0018312.04368234-
[LysoPC(14:0)] 1-tetradecanoyl-sn-glycero-3-phosph...LPC 14:0ME475781-C042304.716882226-
[LysoPC(14:1)] 1-(9Z-tetradecenoyl)-sn-glycero-3-p...-ME475782-C042304.745012354-
LysoPC(16:0)LPC 16:0ME476027-C042304.633763418-
LysoPC(16:1(9Z))LPC 16:1(9Z)ME476028-C042304.657867169-
[LysoPC(16:2)] 1-hexadecyl-sn-glycero-3-phosphocho...LPC O-16:0ME475783-C139034.665195129-
LysoPC(18:0)LPC 18:0ME476029-C042304.559874455-
LysoPC(18:1)LPC 18:1ME476030--4.554711307-
LysoPC(20:4)LPC 20:4ME476031-C042304.555423419-
LysoPC(O-16:1)LPC O-16:1ME476032--4.573575223-
LysoPE(16:0)LPE 16:0ME476033--4.634339757-
LysoPE(18:0)LPE 18:0ME476034--4.630805731-
LysoPE(18:1)LPE 18:1ME476035--4.58780419-
LysoPE(20:0)LPE 20:0ME476036--4.601573145-
LysoPE(20:4)LPE 20:4ME476037--4.512219334-
MannitolMannitolME476038-C0039213.62001414-
Margaroyl-EAMargaroyl-EAME476039--7.483371832-
MetalaxylMetalaxylME476040-C109477.476512886-
MethacholineMethacholineME476041-C0747112.65072854-
Methylimidazoleacetic acidMethylimidazoleacetic acidME476042-C058289.060760884-
Muramic acidMuramic acidME476043-C0647012.97452421-
N1-Methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME476050-C058427.412187513-
N1-Methyl-4-pyridone-5-carboxamideN1-Methyl-4-pyridone-3-carboxamideME476051-C058436.307915084-
N1,N8-diacetylspermidineN1,N8-DiacetylspermidineME476049--16.98212681-
N2-Acetyl-L-lysineN(2)-AcetyllysineME476053-C1298914.38921922-
N2-(D-1-Carboxyethyl)-L-lysineD-LysopineME476052-C0402016.71621497-
N-(2-hydroxyoctadecanoyl)-4R-hydroxysphinganine-1-...-ME476044--3.49328565-
N3-(4-methoxyfumaroyl)-L-2,3-diaminopropanoate-ME476054--13.28886884-
N4-AcetylaminobutanalN4-AcetylaminobutanalME476055-C0593610.56162883-
N5-acetyl-N5-hydroxy-L-ornithine2,6-Diaminopimelic acidME476057--11.02517659-
N5-formyl-N5-hydroxy-L-ornithine-ME476058--11.74432863-
N5-(L-1-Carboxyethyl)-L-ornithineN(6)-Acetyl-N(6)-hydroxy-lysineME476056-C0421017.54905732-
N6-(1,2-Dicarboxyethyl)-AMPAdenylsuccinic acidME476059-C0379418.9875-
N6-Acetyl-L-lysineN6-AcetyllysineME476061-C027278.770850026-
N6-Acetyl-N6-hydroxy-L-lysineN(6)-Acetyl-N(6)-hydroxy-lysineME476062-C0395510.19419057-
N6-Methyl-L-lysineN(6)-MethyllysineME476063-C0272822.26874485-
N6,N6,N6-Trimethyl-L-lysineN-6-TrimethyllysineME476060-C0379321.48323434-
N-Acetyl-beta-alanineN-Acetyl-beta-alanineME476064-C010738.814716686-
N-Acetyl-D-glucosaminateN-acetyl-glucosaminic acidME476065-C0113314.05062754-
N-Acetyl-D-glucosamineN-Acetyl-D-glucosamineME476066-C0014011.43424568-
N-Acetyl-D-glucosamine 6-phosphateN-Acetyl-glucosamine 6-phosphateME476067-C0035715.0026191-
N-Acetyl-D-mannosamineN-Acetyl-mannosamineME476068-C0064511.78076664-
N-AcetylglutamineN-AcetylglutamineME476069--10.40572956-
N-AcetyllactosamineN-AcetyllactosamineME476070-C0061113.13997982-
N-Acetyl-L-aspartateN-Acetylaspartic acidME476071-C0104214.90614614-
N-Acetyl-L-citrullineN-AcetylcitrullineME476072-C1553212.15662966-
N-Acetyl-L-histidineN-AcetylhistidineME476073-C029979.958746022-
N-AcetylmethionineN-AcetylmethionineME476074-C027129.454533859-
N-AcetylneuraminateN-Acetylneuraminic acidME476075-C0027013.21431408-
N-AcetylornithineN-AcetylornithineME476076-C0043712.96100791-
N-AcetylputrescineN-AcetylputrescineME476077-C0271421.48640414-
NAD+NAD+ME476078-C0000313.5179771-
NADHNADHME476079-C0000413.26970188-
NADP+NADP+ME476080-C0000616.86060917-
N(alpha)-Benzyloxycarbonyl-L-leucineN-Benzyloxycarbonyl-L-leucineME476045-C043357.67508559-
Nalpha-MethylhistidineN-MethylhistidineME476081-C0329812.50515995-
N-Carboxyethyl-g-aminobutyricacidN-Carboxyethyl-gamma-aminobutyric acidME476082--12.34815887-
N-(docosanoyl)-4E,6E-pentadecasphingadienine-ME476046--17.35579369-
Ne,Ne dimethyllysineN(6),N(6)-Dimethyl-lysineME476083-C0554521.20541382-
N-Formimino-L-glutamateFormiminoglutamic acidME476084-C0043911.30325912-
N-Glycoloyl-neuraminateN-Glycoloylneuraminic acidME476085-C0341014.38616256-
N-Hydroxy-2-acetamidofluorene-ME476086-C039548.067644825-
N-hydroxyisoleucineN-hydroxyisoleucineME476087--11.70199345-
N-hydroxy-N-succinylcadaverine-ME476088--11.45102872-
NicotinamideNiacinamideME476089-C001536.620788405-
NicotinamideN-oxideNicotinamide N-oxideME476090--7.622958081-
NicotinateNicotinic acidME476091-C002537.741351089-
Nicotinate D-ribonucleosideD-RibosylnicotinateME476092-C0584116.94857472-
N-Methylhistamine1-MethylhistamineME476093-C0512723.1942474-
N,N-DimethylglycineDimethylglycineME476048-C0102611.75806669-
N(pi)-Methyl-L-histidine3-MethylhistidineME476047-C0115211.87921356-
N-stearoyl tyrosineN-Stearoyl tyrosineME476094--4.443627348-
O-AcetylcarnitineCAR 2:0ME476095-C0257110.29112672-
O-AcetylhomoserineO-Acetyl-homoserineME476096-C057007.400699463-
O-Acetyl-L-homoserineO-Acetyl-homoserineME476097-C0107710.47166566-
O-ButanoylcarnitineCAR 4:0ME476098-C028628.085745994-
O-decanoyl-R-carnitineCAR 10:0ME476099-C032994.966813985-
OleoylcarnitineCAR 18:1ME476100--4.488457314-
OphthalmicacidOphthalmic acidME476101--13.04005351-
O-PropanoylcarnitineCAR 3:0ME476102-C030179.073777355-
Orotate(Fragment)Orotic acidME476103-C002959.580752995-
OtonecineOtonecineME476104-C1035610.47189056-
Pantetheine 4'-phosphatePantetheine 4'-phosphateME476105-C011349.673241922-
PantothenatePantothenic acidME476106-C008648.456289053-
PC(16:0/9:0(CHO))-ME475756--4.263849993-
PC(18:2)PC 18:2ME476107--4.618840847-
[PC(22:6)]LPC 22:6ME475785--4.474034555-
PC(28:0)PC 28:0ME476108--4.078417223-
PC(30:0)PC 30:0ME476109--3.998180715-
PC(30:1)PC 30:1ME476110--4.020440634-
PC(32:0)PC 32:0ME476111--3.972157288-
PC(32:1)PC 32:1ME476112-C001573.936714061-
PC(32:2)PC 32:2ME476113--3.946918233-
PC(32:3)PC 32:3ME476114--4.001459885-
PC(34:2)PC 34:2ME476115--4.439492178-
PC(34:3)PC 34:3ME476116--3.866006231-
PC(36:4)PC 36:4ME476117--3.828096342-
PC(38:4)PC 38:4ME476118--3.803511969-
PC(38:6)PC 38:6ME476119--3.805013522-
PC(40:6)PC 40:6ME476120--3.785575525-
PC(40:8)PC 40:8ME476121-C001573.796960353-
[PC acety] 1-acetyl-sn-glycero-3-phosphocholine-ME475784--10.24378788-
PC(O-32:0)PC O-32:0ME476122--4.270302073-
PC(P-38:4)PC P-38:4ME476123--3.807371346-
PE(36:0)PE 36:0ME476124--4.01363655-
PE(36:4)PE 36:4ME476125--3.857943103-
PE(39:4)PE 39:4ME476126--4.634741608-
PE(41:6)PE 41:6ME476127--4.296071667-
Pelargonidin 3-rhamnoside-ME476130--7.392196279-
PE(O-38:5)PE O-38:5ME476128-C003503.847749998-
PE(P-36:4)PE P-36:4ME476129-C003503.815830708-
PG(36:2)PG 36:2ME476131--3.585766133-
PhosphodimethylethanolamineN,N-Dimethylethanolamine phosphateME476132-C1348213.40002013-
PhosphonoacetaldehydePhosphonoacetaldehydeME476133-C0316713.85577129-
PI(38:4)PI 38:4ME476134--3.649303643-
PI(38:6)PI 38:6ME476135--3.644673959-
PicolinamidePicolinamideME476136-C019507.394828685-
PimelylcarnitineCAR DC7:0ME476137--10.62303102-
PiperidinePiperidineME476138-C0174610.75039041-
Proclavaminic acidProclavaminic acidME476139-C0665812.86469079-
Procollagen 5-(D-galactosyloxy)-L-lysineGalactosylhydroxylysineME476140-C0554721.86106897-
Propanoyl phosphatePropanoyl phosphateME476141-C0287611.58702765-
PS(32:0)PS 32:0ME476142--3.574274725-
PS(34:0)PS 34:0ME476143--3.535453669-
PS(38:3)PS 38:3ME476144--3.536601583-
PS(38:4)PS 38:4ME476145--3.52194066-
PS(44:10)PS 44:10ME476146--3.489577976-
pseudaminic acid-ME476147--12.0485451-
PsicofuraninAngustmycin CME476148-C053429.484115495-
psicoselysinePsicosyllysineME476149--20.97520128-
Pulvomycin-ME476150-C120707.415383275-
PyridoxalPyridoxalME476151-C002507.888909512-
PyridoxinePyridoxineME476152-C003148.003981311-
(R)-2,3-Dihydroxy-3-methylpentanoate-ME475766-C060079.549648311-
RetronecineRetronecineME476153-C0617712.98744803-
Riboflavin cyclic-4',5'-phosphate-ME476154-C1607111.07218028-
S-AcetyldihydrolipoamideS-AcetyldihydrolipoamideME476155-C011367.497543748-
salicylate-adenylate-ME476156--15.42649321-
(S)-AMPAAmpaME475767-C1367213.08866741-
(S)-ATPA(S)-ATPAME475768-C1373313.30771961-
SedoheptuloseGlucoheptuloseME476157-C0207613.00832646-
SlaframineSlaframineME476158-C061859.202664678-
(S)-MalateMalic acidME475769-C0014916.48496864-
SM(d18:0/24:1(15Z))SM 18:0;O2/24:1(15Z)ME476159-C005507.447874482-
SM(d18:1/24:1(15Z))SM 18:1;O2/24:1(15Z)ME476160-C005504.273734403-
SM(d34:1)SM 34:1;O2ME476161--4.259110904-
SM(d34:2)SM 34:2;O2ME476162--4.305966171-
SM(d40:1)SM 40:1;O2ME476163-C005507.433339647-
sn-glycero-3-Phospho-1-inositolsn-Glycero-3-phosphoinositolME476164-C0122516.01809194-
sn-glycero-3-Phosphoethanolaminesn-Glycero-3-phosphoethanolamineME476165-C0123315.3172742-
sn-glycerol-1-phosphate-ME476166-C0062314.93112586-
[SP amino(18:0/2:0)] 2S-aminooctadecane-1,3R-diol-ME475786--7.441917209-
[SP] Sphing-4-enineSphingosineME475787-C003197.26867396-
StachydrineStachydrineME476167-C1017212.85548566-
StachyoseStachyoseME476168-C0161317.11325509-
StearoylcarnitineCAR 18:0ME476169--4.421726366-
SuccinyladenosineSuccinyladenosineME476170--14.57592072-
SucroseSucroseME476171-C0008915.20643329-
Swainsonine-ME476172-C1017321.86140214-
TaurineTaurineME476173-C0024515.12491875-
TecostanineTecostanineME476174-C0998911.6758515-
TemurinTemurinME476175--9.426668825-
TetradecanoylcarnitineCAR 14:0ME476176--4.649405334-
Tetraethylammonium-ME476177-C0751216.2766773-
tetrahomocitrate-ME476178--15.09512238-
TG(48:1)TG 48:1ME476179-C004226.140144285-
TG(52:4)TG 52:4ME476180--3.704738324-
TG(54:4)TG 54:4ME476181--6.184653123-
ThiaminThiamineME476182-C0037821.77258616-
Thiamin monophosphateThiamine monophosphateME476183-C0108113.08633451-
ThymineThymineME476184-C001787.387285899-
Tigloidine-ME476185-C1086811.18158596-
TiglylcarnitineCAR 4:1;2MeME476186--7.765030241-
trans-4-Hydroxycyclohexylaceticacid-ME476187--11.89140438-
trans-Cinnamoyl beta-D-glucoside1-O-trans-Cinnamoyl-beta-D-glucoseME476188-C041648.861396526-
trans-Hexadec-2-enoylcarnitineCAR 16:1(2E)ME476189--4.5597398-
TrimethylaminoacetoneTrimethylaminoacetoneME476190--17.51199501-
UDPUDPME476191-C0001516.6315201-
UDP-D-galactoseUDP-galactoseME476192-C0005216.61684146-
UDP-glucuronateUDP-glucuronic acidME476193-C0016719.94266673-
UDP-N-acetyl-D-galactosamineUDP-N-acetylgalactosamineME476194-C0020315.21785503-
UMPUMPME476195-C0010515.11258682-
UracilUracilME476196-C001068.403524734-
UridineUridineME476197-C002999.579904082-
XanthineXanthineME476198-C0038511.31311874-
XanthosineXanthosineME476199-C0176212.17563175-
(Z)-4-Hydroxyphenylacetaldehyde-oxime-ME475770-C043535.519461178-
(Z)-But-2-ene-1,2,3-tricarboxylatecis-2-MethylaconitateME475771-C0422513.16999824-


Analysis: MS

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1-18:2-2-18:2-monogalactosyldiacylglycerol-ME476599--4.168580699-
12-Hydroxydihydrochelirubine-ME476598-C051937.393247723-
15-Keto-prostaglandinE215-Keto-PGE2ME476597-C047074.246424421-
1-O-Hexadecyl-sn-glycerolMG O-16:0ME476596-C138594.093290599-
1-O-Methyl-myo-inositol-ME476595-C0365910.39051927-
(1-Ribosylimidazole)-4-acetateImidazoleacetic acid ribosideME476647-C0513113.98349029-
1-thio-beta-D-glucose-ME476594--8.526463756-
2,3,4,5-Tetrahydrodipicolinate-ME476591-C0397213.24116201-
2,3,4,5-Tetrahydropyridine-2-carboxylate(S)-1-Piperideine-6-carboxylic acidME476590-C0045013.82660905-
2,3-Dihydroxycyclopentaneundecanoic acid-ME476589-C149874.605211092-
2,3-DimethylmaleateDimethyl maleateME476588-C0092213.47698068-
2,5-Dioxopentanoate-ME476587-C0043312.09940001-
2-5-Furandicarboxylicacid-ME476586--13.43907616-
2-(Acetamidomethylene)succinate-ME476592-C0121515.13768887-
2-Aceto-2-hydroxybutanoate2-AcetolactateME476585-C0065914.30595805-
2-Amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteri...-ME476584-C0130012.03900829-
2-amino-5-methyl-muconate semialdehyde-ME476583--11.16322166-
2-Aminobutan-4-olideHomoserine lactoneME476582-C0292614.85201262-
2-ButenoateCrotonic acidME476581-C0177115.48797892-
2 -(Butylamido)-4-hydroxybutanoic acid-ME476593-C118437.397312681-
2-C-Methyl-D-erythritol 4-phosphate-ME476580-C1143414.10753861-
2-Dehydro-3-deoxy-D-glucarate-ME476579-C0392112.01298985-
2-Dehydro-D-xylonate(3S,4R)-3,4,5-Trihydroxy-2-keto-valeric acidME476578-C0292812.97708179-
2-Deoxy-D-ribose 5-phosphateDeoxyribose 5-phosphateME476577-C0067314.41657328-
2-Ethylhexyl phthalateMonoethylhexyl phthalic acidME476576-C033437.198831285-
2-Formaminobenzoylacetate-ME476575-C058356.064212799-
2-Hydroxy-2,4-pentadienoate2-Hydroxypenta-2,4-dienoic acidME476574-C0059614.71829535-
2-Hydroxy-3-oxoadipate-ME476573-C032178.748285017-
2-Hydroxy-3-oxopropanoateTartronate semialdehydeME476572-C011468.352537998-
2-Hydroxybutanoic acid2-Hydroxybutyric acidME476571-C059848.129078289-
2-Hydroxyethanesulfonate2-HydroxyethanesulfonateME476570-C0512311.18247754-
2-HydroxymalonateHydroxypropanedioic acidME476569-C0228717.77409198-
2-isocapryloyl-3R-hydroxymethyl-gamma-butyrolacton...-ME476568--7.318354566-
2-Methyl-3-hydroxybutyricacid2-Methyl-3-hydroxybutyric acidME476567--6.172467164-
2-Methylcitrate2-Methylcitric acidME476566-C0222517.66436185-
2-O-alpha-L-Rhamnopyranosyl-D-glucopyranoseNeohesperidoseME476565-C0824413.12881982-
2-Oxobutanoate3-Methyl pyruvic acidME476564-C0010912.70835553-
2-Oxoglutaramate2-Keto-glutaramic acidME476563-C009407.720024278-
2-Oxoglutarate2-Oxoglutaric acidME476562-C0002616.14663027-
2-Oxosuccinamate2-Oxosuccinamic acidME476561-C023628.96698904-
2-Protocatechoylphloroglucinolcarboxylate-ME476560-C0452411.53033985-
(2R,4S)-2,4-Diaminopentanoate-ME476646-C0394324.21583862-
(2S)-2-Isopropyl-3-oxosuccinate2-Isopropyl-3-oxosuccinateME476645-C042368.532031851-
3,4-Dihydroxyphenylacetaldehyde3,4-DihydroxyphenylacetaldehydeME476556-C040434.735912624-
3-(4-Hydroxyphenyl)lactateHydroxyphenyllactic acidME476559-C036729.127662023-
3-(4-Hydroxyphenyl)pyruvate4-Hydroxyphenylpyruvic acidME476558-C011798.181510571-
3,5/4-Trihydroxycyclohexa-1,2-dioneOxoadipic acidME476555-C0428711.55799998-
3,6,8-Trimethylallantoin-ME476554-C1636212.56674171-
3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate-ME476553-C012924.794849088-
3-Amino-1-methyl-5H-pyrido[4,3-b]indole3-Amino-1-methyl-5H-pyrido[4,3-b]indoleME476552-C1441611.89963153-
3-beta-D-Galactosyl-sn-glycerolGalactosylglycerolME476551-C0540114.42646439-
3-butenyl-thiohydroximate-O-sulfate-ME476550--4.956469024-
3-Deoxy-D-manno-octulosonate 8-phosphate-ME476549-C0447817.75728413-
3-Ethylmalate-ME476548-C0198915.59215103-
3-Hydroxydodecanedioicacid3-Hydroxy-dodecanedioic acidME476547--4.993315664-
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine3-Hydroxy-N6,N6,N6-trimethyl-lysineME476546-C0125921.46818413-
3-Hydroxypropenoate3-HydroxypropenoateME476545-C120698.441561612-
3-Hydroxysebacicacid3-Hydroxysebacic acidME476544--10.76883027-
3-Hydroxytetradecanedioicacid3-Hydroxy-tetradecanedioic acidME476543--4.996550529-
3-ketothreonine-ME476542--10.6174268-
3-Methyl-2-oxobutanoic acidKetoisovaleric acidME476541-C001418.437975211-
3-(Methylthio)propionic acid3-Methyl-thiopropionic acidME476557-C082769.637912432-
3-Oxododecanoic acid3-Oxododecanoic acidME476540-C023674.117022744-
3-OxopropanoateMalonic semialdehydeME476539-C002229.644740403-
3-Propylmalate3-PropylmalateME476538-C0212312.38273843-
(3S,5S)-carbapenam-ME476644--14.65225899-
3-Succinoylpyridine3-SuccinoylpyridineME476537--4.898054403-
3-sulfopropanoate-ME476536--17.19707807-
3-ureidoacrylate-ME476535--12.33550807-
3-UreidoisobutyrateUreidoisobutyric acidME476534-C0510016.66982924-
4-(2-Aminophenyl)-2,4-dioxobutanoate4-(2-Aminophenyl)-2,4-dioxobutanoic acidME476533-C012527.394628321-
4-Amino-4-deoxychorismate4-Amino-4-deoxychorismic acidME476532-C1135512.16333456-
4-Dedimethylamino-4-oxo-anhydrotetracycline-ME476531-C0662710.08701348-
4-Dihydroxyethyl-8,9-epoxy-enediyne-ME476530-C1144611.71921982-
4-Hexyloxyphenol-ME476529-C143054.580362108-
4-Hydroxyaminoquinoline N-oxide4-(Hydroxyamino)quinoline N-oxideME476528-C0405011.39526612-
4-Hydroxybutanoic acid4-Hydroxybutyric acidME476527-C009899.208426705-
4-Methylene-L-glutamate-ME476526-C0065113.17254511-
4-Oxoglutaramate4-Oxoglutaramic acidME476525-C0557210.67117874-
4-Pyridoxate4-Pyridoxic acidME476524-C008474.892525736-
(4R,5S)-4,5,6-Trihydroxy-2,3-dioxohexanoate-ME476643--16.15102009-
5-(2-Hydroxyethyl)-4-methylthiazole5-(2-Hydroxyethyl)-4-methylthiazoleME476523-C042944.837268225-
5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phospho...-ME476522-C0489616.86175867-
5,6-DihydrouracilDihydrouracilME476521-C004297.575668811-
5-6-Dihydrouridine5,6-DihydrouridineME476519--9.792812128-
5,6-Dihydroxy-3-methyl-2-oxo-1,2-dihydroquinoline-ME476520-C067254.660471344-
5-Acetylamino-6-formylamino-3-methyluracil5-Acetylamino-6-formylamino-3-methyluracilME476518-C163659.806689308-
5-Amino-4-chloro-2-(2,3-dihydroxyphenyl)-3(2H)-pyr...-ME476517-C0479816.0369074-
5'-chloroformycin-ME476516--14.67292929-
5-Dehydro-4-deoxy-D-glucarate-ME476515-C0067913.95721235-
(+-)-5-Deoxykievitone5-DeoxykievitoneME476648-C1041810.1021866-
5-Hydroxymethyldeoxycytidylate-ME476514-C0399711.06739071-
5-Hydroxypentanoate5-Hydroxyvaleric acidME476513-C028047.382428318-
5-L-Glutamylglycinegamma-GlutamylglycineME476512--16.40535834-
5-Methyltetrahydrofolate5-Methyl-THFME476511-C0044014.03242234-
5'-methylthioinosine-ME476510--8.985969257-
(5-Phenyl-1,2,4-triazol-3-yl)urea-ME476642-C153837.478841439-
6-Acetyl-D-glucose6-AcetylglucoseME476509-C0265515.74945397-
6-endo-Hydroxycineole6-endo-HydroxycineoleME476508-C030924.112019695-
6-Hydroxymellein-ME476507-C023794.944888891-
6-Methylpretetramide6-MethylpretetramideME476506-C0662911.11338382-
6-oxo-9S,11R,15S-trihydroxy-13E-prostenoic acid6-Keto-PGF1alphaME476505-C059614.755822945-
6-Oxocineole6-OxocineoleME476504-C008484.261737392-
6-Phospho-2-dehydro-D-gluconate-ME476503-C0121818.29780456-
6-Phospho-D-gluconate6-Phosphogluconic acidME476502-C0034518.29153463-
7-Aminocephalosporanic acid7-Aminocephalosporanic acidME476501-C0775612.56707185-
7-methylthioheptyl glucosinolate-ME476500--14.67488327-
8,8-Dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dip...-ME476499--4.686449951-
8-oxo-7,8-dihydro-2'-GTP-ME476498--19.00136547-
9S,11R,15S-trihydroxy-5Z,13E-prostadienoic acid-cy...15-F2t-IsoPME476497-C138094.491250003-
9S,15S-dihydroxy-11-oxo-16,16-dimethyl-5Z,13E-pros...-ME476496--4.057346909-
AcetoacetateAcetoacetic acidME476494-C0016414.77471465-
Acetyl-maltoseAcetyl-maltoseME476492-C0213016.48610803-
Acetyl phosphateAcetylphosphateME476493-C0022715.79863109-
Acetylpyruvate-ME476491-C021327.39308689-
a Cysteine adduct-ME476495--7.386522827-
AdenineAdenineME476490-C001478.61134901-
Ala-Lys-Met-Trp-ME476489--14.3631843-
AlizarinAlizarinME476488-C014747.916372961-
AllantoinAllantoinME476487-C0155114.11024254-
Allogibberic acidAllogibberic acidME476486-C0906110.78938002-
allopurinolAllopurinolME476485-D0022413.87228489-
alpha-(2,6-anhydro-3-deoxy-D-arabino-heptulopyrano...-ME476650--12.16558392-
alpha-D-GlucoseGlucoseME476484-C0026711.72970153-
Anacardic acidAnacardic acidME476483-C107593.821494205-
Anatalline-ME476482-C124548.495586194-
Apigeninidin-ME476481-C0857415.59480765-
ApioleApioleME476480-C104294.300290426-
Ascorbate 2-sulfate-ME476479-C0281218.74243676-
Asp-Cys-GlyAsp-Cys-GlyME476478--17.32131039-
ATPATPME476477-C0000217.31146772-
Bakkenolide ABakkenolide AME476476-C093504.090087501-
BendiocarbBendiocarbME476475-C144338.096828171-
beta-Cymaropyranosebeta-CymaropyranoseME476474-C082348.734047059-
beta-D-DigitalopyranoseDigitaloseME476473-C082357.435503549-
beta-D-GlucoseGlucoseME476472-C0022113.03066412-
betaine aldehyde hydrateBetaine aldehyde hydrateME476471-C0734521.2487297-
BotrydialBotrydialME476470-C096224.975274227-
Butanoic acidButyric acidME476469-C002468.032831319-
Butanoylphosphate-ME476468-C0252713.85378165-
captoprilCaptoprilME476467-D002514.874709857-
Carbetamide-ME476466-C110755.002265156-
CarpacinCarpacinME476465-C104354.641416626-
CDP-ribitolCDP-ribitolME476464-C0078916.78261494-
Cellopentaose-ME476463-C0621817.62554013-
CentarolCentarolME476462-C096324.763091985-
Cer(d40:1)Cer 40:1;O2ME476461--4.667156895-
ChelilutineChelilutineME476460-C1222911.02762518-
ChelirubineChelirubineME476459-C0632712.10692354-
CholateCholic acidME476458-C006954.957334966-
CholesterolsulfateCholesterol sulfateME476457--3.625377107-
cis-Acetylacrylate-ME476456-C0709114.24919443-
cis-Aconitatecis-Aconitic acidME476455-C0041718.71527208-
CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)/16:1(9Z))CL 18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)/16:1(9Z)*ME476454--3.54124722-
CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z...CL 18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)*ME476453--3.532568827-
CoA-glutathioneGlutathionyl-CoAME476452-C0092017.69510919-
CrotonosideCrotonosideME476451-C0843216.76534526-
Cryogenine-ME476450-C105857.589240402-
Cys-Cys-Gly-Tyr-ME476449--9.518406605-
CystathionineCystathionineME476448-C0054216.94677577-
CysteineMercaptoethanol disulfide-ME476447--14.77192496-
Cytomycin-ME476446-C0156712.60961218-
D-2-HydroxyisocaproateD-Leucic acidME476445-C032648.138696983-
D-4'-Phosphopantothenate(R)-4'-Phosphopantothenic acidME476444-C0349215.25184203-
D-ArabinonateArabinonic acidME476443-C0087812.98711363-
D-ArabitolArabitolME476442-C0190412.71024481-
D-AsparagineD-AsparagineME476441-C0190513.97800934-
Deacetylcephalosporin CDeacetylcephalosporin CME476440-C0311213.51176868-
Deaminohydroxyblasticidin S-ME476439-C038608.580566061-
delta1-Piperideine-2-carboxylateD-1-Piperideine-2-carboxylic acidME476438-C040928.178025278-
DeoxyriboseDeoxyriboseME476437-C018018.969509086-
DeoxyuridineDeoxyuridineME476436-C005267.978003403-
Dephospho-CoA3'-Dephospho-CoAME476435-C008829.369199965-
D-ErythroseErythroseME476434-C0179610.66089851-
D-GalactarateGalactaric acidME476433-C0087917.60218969-
D-GalactoseGalactoseME476432-C0012414.74736054-
D-GlucarateGlucaric acidME476431-C0081816.20802416-
D-Gluconic acidGluconic acidME476430-C0025714.32133225-
D-Glucono-1,5-lactoneGluconolactoneME476429-C0019811.1928161-
D-GlucuronateGlucuronic acidME476428-C0019116.17841054-
D-GlycerateGlyceric acidME476427-C0025811.99834139-
Dibenz[a,h]anthraceneDibenz[a,h]anthraceneME476426-C143253.942334331-
Dihydrogenphosphate-ME476425--14.30338906-
Diisopropyl adipate-ME476424-C145234.602281852-
Diketogulonicacid-ME476423-C0457511.58789599-
D-Mannitol 1-phosphateMannitol 1-phosphateME476422-C0064415.96272523-
D-MannonateMannonic acidME476421-C0051413.61679145-
Docosanoic acidBehenic acidME476420-C082813.714942702-
Dodecanedioic acidDodecanedioic acidME476419-C026784.264573762-
D-ProlineD-ProlineME476418-C0076319.85474485-
D-Ribitol 5-phosphateD-Ribitol 5-phosphateME476417-C0106815.57199539-
D-RiboseRiboseME476416-C0012110.86005512-
D-Ribulose 5-phosphateRibulose 5-phosphateME476415-C0019914.97595278-
D-Sedoheptulose 7-phosphateD-Sedoheptulose 7-phosphateME476414-C0538216.27869666-
dTDP-3-amino-2,3,6-trideoxy-D-threo-hexopyranos-4-...-ME476413-C1231814.55673946-
D-ThreonineD-ThreonineME476412-C0082019.76322774-
D-XylonateXylonic acidME476411-C0050213.68522034-
D-XylonolactoneD-Xylono-1,5-lactoneME476410-C0226616.00224391-
(E)-3-(Methoxycarbonyl)pent-2-enedioate-ME476641-C115149.338790027-
(E)-GlutaconateGlutaconic acidME476640-C0221415.72536267-
EpinephrinesulfateEpinephrine sulfateME476409--11.83873793-
ErythritolErythritolME476408-C0050311.56878631-
ErythronicacidErythronic acidME476407--17.10860805-
Erythrulose 1-phosphate-ME476406-C0339416.83729136-
[FA (10:0/2:0)] Decanedioic acidSebacic acidME476629-C082774.71452777-
FA (10:2) Decadienoic acidDecadienoic acidME476405--4.730544982-
[FA (11:0/2:0)] Undecanedioic acidUndecanedioic acidME476628--8.603134833-
FA (12:1) dodecenoic acidDodecenoic acidME476404--4.015071206-
FA (14:1) tetradecenoic acidTetradecenoic acidME476403--3.890894787-
FA(16:1)Hexadecenoic acidME476380-C083623.830313627-
FA (18:1)Octadecenoic acidME476402--3.795945971-
FA (20:1)Eicosenoic acidME476401--3.753089054-
FA (20:2)Eicosadienoic acidME476400--3.776303116-
FA (20:4)Arachidonic acidME476399-C002193.780717707-
[FA (22:4)] 7Z,10Z,13Z,16Z-docosatetraenoic acidAdrenic acidME476627-C165273.759197386-
[FA (24:0)] 15Z-tetracosenoic acidNervonic acidME476626-C083233.675262507-
[FA (7:0/2:0)] Heptanedioic acidPimelic acidME476625-C0265613.37437165-
FA (8:0) octanoic acidCaprylic acidME476398-C064234.530683367-
FA (8:1)Octenoic acidME476397--4.462295948-
FA (8:1) octenal-ME476396--4.180748471-
FA (9:2) nonadienoic acidNonadienoic acidME476395--4.972527306-
FagomineFagomineME476379-C1014412.66615407-
FA hydroxy(10:0)-ME476393--4.701453076-
[FA hydroxy(11:1)] 2-hydroxy-10-undecenoic acid-ME476624--4.681377218-
[FA hydroxy(11:1)] undecenoic acidUndecenoic acidME476623--4.200115165-
FA hydroxy (18:2)-ME476394--3.899941166-
FA hydroxy(18:2)-ME476392--3.963530215-
FA hydroxy(7:0)-ME476391--4.742484861-
FA hydroxy(8:0) hydroxy-octanoic acidHydroxyoctanoic acidME476390--7.372231855-
FA methyl(12:0) dodecanoic acidLauric acidME476388--3.9218207-
FA methyl(15:0) tridecanedioic acidTridecanedioic acidME476387--4.964551043-
FA methyl(16:1)-ME476386--3.833236972-
[FA methyl(4:1)] 2-methyl-2E-butenoic acidTiglic acidME476622--12.73689193-
FA methyl(6:0)-ME476385--4.628700457-
FA methyl (8:1)-ME476389--4.327373782-
FA oxo(10:0)-ME476384--4.403017703-
[FA oxo(14:0)] 3-oxo-tetradecanoic acid3-Oxotetradecanoic acidME476621--3.998727286-
FA oxo(16:0)-ME476383--3.885889882-
FA oxo(18:0)-ME476382--3.838124262-
FA oxo(9:0) oxo-nonanoic acidOxononanoic acidME476381--4.515759092-
[FA oxo,methyl(4:0)] 2-oxo-4-methylthio-butanoic a...2-Oxo-4-methylthiobutanoic acidME476620-C0118010.30123534-
FasoracetamFasoracetamME476378-C133115.005440538-
[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic aci...Threonic acidME476619-C0162012.85200405-
furaneol glucopyranoside-ME476377--14.45236143-
Furfural diethyl acetal-ME476376-C142804.659451964-
[Fv] 4-Methoxylonchocarpin-ME476618--8.744044344-
Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-8NeuAcalpha2-3...-ME476375--7.388022429-
gamma-Glutamyl-beta-aminopropiononitrilegamma-Glutamyl-beta-aminopropiononitrileME476374-C0611410.1463213-
gamma-Glutamyl-beta-cyanoalaninegamma-Glutamyl-beta-cyanoalanineME476373-C0571117.19833954-
gamma-glutamyl-p-nitroanilide-ME476372--12.2110695-
gamma-L-Glutamyl-L-cysteinegamma-GlutamylcysteineME476371-C0066914.00051737-
GDPGDPME476370-C0003518.50061297-
glutathione-sulfite-ME476369--19.8364368-
GlycerolGlycerolME476368-C0011610.13957926-
Glycerone phosphateDihydroxyacetone phosphateME476367-C0011115.43260915-
HarzianopyridoneHarzianopyridoneME476366-C101508.86434484-
HexadecanalPalmitaldehydeME476365-C005174.092507267-
hexanediol 1,6-bisphosphate-ME476364--11.2058071-
Hexanoic acidCaproic acidME476363-C015854.933601487-
Hexobarbitone-ME476362-C117237.381784387-
Hexose phosphateHexose 6-phosphateME476361-C0296516.94543749-
HomocysteinesulfinicacidHomocysteinesulfinic acidME476360--14.73532743-
Hydantoin-5-propionateHydantoin-5-propionic acidME476359-C055658.766597987-
HydroxymethylphosphonateHydroxymethylphosphonic acidME476358-C0645514.44480237-
HydroxypropionylcarnitineCAR 3:0;OHME476357--9.072186209-
HydroxypyruvateHydroxypyruvic acidME476356-C0016816.17889099-
Ile-Ile-Lys-Pro-ME476355--10.96510651-
Ile-SerIle-SerME476354--7.959436464-
Imidazole lactateImidazolelactic acidME476353-C055688.39369612-
IndolelactateIndolelactic acidME476352-C020438.001544225-
IndoxylsulfateIndoxyl sulfateME476351--8.238745994-
ItaconateItaconic acidME476350-C0049015.30556767-
(-)-Jasmonic acidJasmonic acidME476649-C084914.536631844-
L-2-Amino-3-oxobutanoic acidL-2-Amino-3-oxobutanoic acidME476349-C0350814.1822172-
L-5-Carboxymethylhydantoin-ME476348-C037039.801022709-
LactosamineLactosamineME476347-C0020313.88753157-
L-CladinoseL-CladinoseME476346-C119174.921959077-
L-CysteateCysteic acidME476345-C0050615.12649424-
L-cysteine sulfinate-ME476344--14.48056605-
L-DehydroascorbateL-Dehydroascorbic acidME476343-C0542210.43635731-
L-ErythruloseErythruloseME476342-C0204510.27141865-
L-FuculoseL-FuculoseME476341-C0172119.70391402-
L-Fuculose 1-phosphateL-Fuculose 1-phosphateME476340-C0109915.43202125-
L-Glutamate methylester-ME476339-C050168.319450995-
L-GlycericacidGlyceric acidME476338--17.35710597-
LinatineLinatineME476337-C0593912.56660592-
LL-2,6-Diaminoheptanedioate2,6-Diaminopimelic acidME476336-C0066618.01465316-
L-RhamnoseRhamnoseME476335-C005079.422913043-
LysoPE(0:0/14:0)LPE 0:0/14:0ME476334--4.756345258-
LysoPE(18:2)LPE 18:2ME476333--4.591294661-
LysoPE(22:6)LPE 22:6ME476332--4.465576417-
LysoPG(16:1(9Z)/0:0)LPG 16:1(9Z)/0:0*ME476331--3.88206553-
MaleamateMaleamateME476330-C015967.396981349-
MelibiitolMelibiitolME476329-C053999.771332699-
MES-ME476328--8.892591701-
MesaconateMesaconic acidME476327-C0173214.2945863-
methylene blue-ME476325--14.74422927-
Methyl oxalate-ME476326-C109008.693659033-
Methyloxaloacetate-ME476324-C0603013.61220968-
Miserotoxin-ME476323-C0850714.11885435-
MonomethylglutaricacidMonomethyl glutaric acidME476322--4.997882265-
MukaadialMukaadialME476321-C097024.831776446-
Muramic acidMuramic acidME476320-C0647015.47101258-
N1-Methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME476316-C058427.48278078-
N2-Succinyl-L-ornithineN2-SuccinylornithineME476315-C0341513.61633788-
N4-(Acetyl-beta-D-glucosaminyl)asparagineAspartylglycosamineME476314-C0454015.53461321-
N4-acetyl-N4-hydroxy-1-aminopropane-ME476313--15.60606153-
N5-Ethyl-L-glutamineN(5)-Ethyl-glutamineME476312-C0104710.28688024-
N-(6-Aminohexanoyl)-6-aminohexanoate-ME476319-C012554.753997226-
N-AcetylanthranilateMethyl n-acetylanthranilateME476310-C063327.385603605-
N-Acetyl-D-fucosamineN-Acetyl-D-fucosamineME476309-C154808.067395984-
N-Acetyl-D-glucosamine 4-sulfate-ME476308-C0537412.01494944-
N-acetyl -D- glucosaminitolN-Acetyl-glucosaminitolME476311--12.70159893-
N-Acetyl-D-mannosaminolactoneN-Acetyl-D-mannosaminolactoneME476307-C0377610.78216967-
N-Acetylglucosamine 4-sulfate-ME476306-C0395318.29567808-
N-Acetyl-L-glutamateN-Acetylglutamic acidME476305-C0062414.31464739-
N-Acetyl-L-phenylalanineN-AcetylphenylalanineME476304-C035194.996117238-
N-Acetyl-O-acetylneuraminate-ME476303-C037089.33166097-
N-acetyl-serotonin sulfate-ME476302--9.494798712-
N-AcetylvanilalanineN-AcetylvanilalanineME476301--8.011491955-
NADPHNADPHME476300-C0000517.83427272-
N-Amidino-L-glutamatealpha-Guanidinoglutaric acidME476299-C0314014.7042203-
N-Butyl-beta-carboline-3-carboxylate-ME476298-C138054.661225001-
N-Carbamyl-L-glutamateCarglumic acidME476297-C0582916.76347168-
N-Formyl-L-aspartateN-Formyl-aspartic acidME476296-C0104415.91209066-
N-Formyl-L-glutamate-ME476295-C0104512.96074947-
N-Glycolyl-D-mannosamine 6-phosphateN-Glycolyl-mannosamine 6-phosphateME476294-C0433615.0909789-
N-hydroxy-N-isopropyloxamate-ME476293--7.418394963-
N-LignoceroylsphingosineCer 18:1;O2/24:0ME476292--7.519389271-
N-Methyl-2-oxoglutaramate-ME476291-C036238.043366126-
N,N-Dihydroxy-L-tyrosineN,N-Dihydroxy-tyrosineME476317-C155039.112039185-
N-(octadecanoyl)-sphinganine-1-phospho-(1'-myo-ino...-ME476318--6.202452894-
norsalsolinol-ME476290--19.89103875-
N-UndecanoylglycineN-UndecanoylglycineME476289--4.566621214-
O-Acetyl-L-serineO-AcetylserineME476288-C0097910.6742505-
O-beta-D-Glucopyranosyl-cis-zeatin-ME476287-C1554615.56264887-
octulose 8-phosphateOctulose 8-phosphateME476286--16.3561931-
O-Oxalylhomoserine-ME476285-C0829417.53708054-
OrotateOrotic acidME476284-C0029510.33554903-
OrotidineOrotidineME476283--12.41494738-
Orotidine(fragment)-ME476282--17.7310288-
Oxaloacetate 4-methyl ester-ME476281-C037167.874020663-
[PA(14:0/0:0)] 1-tetradecanoyl-2-sn-glycero-3-phos...-ME476617--4.713252012-
[PA(16:0/0:0)] 1-hexadecanoyl-2-sn-glycero-3-phosp...LPA 16:0ME476616-C004164.634197871-
PA(P-42:4)PA P-42:4ME476280--4.287990626-
PC(15:1)PC 15:1ME476279--7.310639673-
PC(O-13:0)PC O-13:0*ME476278--7.341898267-
P-DPD-ME476277--14.71145286-
[PE(16:1)] 1-(1Z-hexadecenyl)-sn-glycero-3-phospho...LPE P-16:0 or LPE O-16:1ME476615--4.580913978-
PE(16:2)PE 16:2ME476276--4.679917153-
PE(34:1)PE 34:1ME476275--4.023803448-
PE(34:2)PE 34:2ME476274--4.014394826-
PE(36:1)PE 36:1ME476273--4.066632755-
[PG (16:0)] 1-hexadecanoyl-sn-glycero-3-phospho-(1...-ME476614--3.873168972-
[PG (18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1...-ME476613--3.865404598-
[PG (18:1)] 1-(9E-octadecenoyl)-sn-glycero-3-phosp...-ME476612--3.864849406-
PG(18:2(9Z,12Z)/0:0)PG 18:2(9Z,12Z)/0:0*ME476272--3.863790245-
[PG (20:4)] 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-...-ME476611--3.85239021-
PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)PG 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0*ME476271--3.84326666-
PG(30:0)PG 30:0ME476270--3.609073957-
PG(30:1)PG 30:1ME476269--3.643989081-
PG(32:0)PG 32:0ME476268--3.63545572-
PG(32:1)PG 32:1ME476267--3.612942696-
PG(32:2)PG 32:2ME476266--3.624021271-
PG(34:1)PG 34:1ME476265--3.594318748-
PG(34:2)PG 34:2ME476264--3.595820816-
PG(34:3)PG 34:3ME476263--3.596122053-
PG(36:3)PG 36:3ME476262--3.589102077-
PG(38:4)PG 38:4ME476261--3.577432799-
PG(38:5)PG 38:5ME476260--3.583381756-
PG(38:6)PG 38:6ME476259--3.590629561-
PG(40:7)PG 40:7ME476258--3.570432305-
PG(42:10)PG 42:10ME476257--3.565463222-
PG(44:12)PG 44:12ME476256--3.556885393-
PGP(38:5)PG P-38:5ME476255--7.390081629-
Phenylacetic acidPhenylacetic acidME476254-C070868.715255583-
PhenylacetylglycinePhenylacetylglycineME476253-C055985.003528456-
PhenyllactatePhenyllactic acidME476252-C056075.014248927-
PhenylpropanoateHydrocinnamic acidME476251-C056294.935727252-
PhenylpyruvatePhenylpyruvic acidME476250-C001664.920302629-
PhosphoenolpyruvatePhosphoenolpyruvic acidME476249-C0007418.28264113-
[PI(16:0)] 1-hexadecanoyl-sn-glycero-3-phospho-(1'...-ME476610--4.225349984-
[PI(18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1'...-ME476609--4.140697307-
[PI(20:4)] 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-g...-ME476608--4.107601802-
PI(34:2)PI 34:2ME476248--3.683206878-
PI(36:2)PI 36:2ME476247--3.669601019-
PI(36:4)PI 36:4ME476246--3.667221856-
PI(38:5)PI 38:5ME476245--3.657920662-
PIP(38:4)PI P-38:4ME476244-C006267.4004896-
p-Phenolsulfonic acid4-Hydroxybenzenesulfonic acidME476243-C128495.256206311-
[PR] N-tryptophanyl-35-aminobacteriohopane-32,33,3...N-Tryptophanyl-35-aminobacteriohopane-32,33,34-triolME476607--4.047029024-
[PR] Tretinoin/All-Trans Retinoic AcidRetinoic acidME476606-C007773.969084572-
PS(18:0)PS 18:0ME476242--4.085416058-
[PS(18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phosph...-ME476605--4.127661726-
PS(39:4)PS 39:4ME476241--3.560030206-
PS(40:4)PS 40:4ME476240--3.640997148-
PseudouridinePseudouridineME476237-C0206711.71129738-
PS(O-34:0)PS O-34:0ME476239--4.172333312-
PS(O-34:1)PS O-34:1ME476238--7.059043453-
PsychosinePsychosineME476236-C017474.521728126-
PyruvatePyruvic acidME476235-C0002213.21243739-
Pyruvate oxime-ME476234-C0219311.11841776-
(R)-2-Ethylmalate-ME476639-C0248814.41299241-
(R)-2-Hydroxyglutarate2-Hydroxyglutaric acidME476638-C0108715.54114546-
(R)-3-Hydroxy-3-methyl-2-oxopentanoate-ME476637-C144637.357804547-
RaffinoseRaffinoseME476233-C0049216.4876255-
(R)-AMAA-ME476636-C1373915.37568724-
RetinolRetinolME476232-C004733.886823424-
(S)-1-Pyrroline-5-carboxylate1-Pyrroline-5-carboxylic acidME476635-C0391215.54304057-
(S)-2-Aceto-2-hydroxybutanoateAcetohydroxybutyric acidME476634-C060068.784399969-
(S)-2-Acetolactate(S)-2-AcetolactateME476633-C0601014.81666158-
S-(3-oxo-3-carboxy-n-propyl)cysteineS-(3-Oxo-3-carboxy-n-propyl)cysteineME476231--10.62730419-
S-Adenosyl-L-homocysteineS-AdenosylhomocysteineME476230-C0002112.87765633-
S-Adenosyl-L-methionineS-AdenosylmethionineME476229-C0001916.04687419-
(S)-CarnitineCarnitineME476632-C1502510.29868729-
(S)-F-Willardiine-ME476631-C1367112.31366261-
S-Inosyl-L-homocysteineS-Inosyl-L-homocysteineME476228-C0343111.92202319-
(S)-LactateLactic acidME476630-C001869.704680318-
sn-glycero-3-Phosphocholinesn-Glycero-3-phosphocholineME476227-C0067013.85393693-
sn-Glycerol 3-phosphatesn-Glycero-3-phosphateME476226-C0009313.85592286-
[SP (16:0)] N-(hexadecanoyl)-sphing-4-enineCer 18:1;O2/16:0ME476604-C001953.908755721-
[SP (24:0)] N-(15Z-tetracosenoyl)-sphing-4-enineCer 18:1;O2/24:1ME476603-C001953.984184418-
[SP (24:0)] N-(tetracosanoyl)-sphing-4-enineCer 18:1;O2/24:0ME476602-C001954.693055677-
S-SuccinylglutathioneS-SuccinylglutathioneME476225-C031749.644608307-
S-sulfanylglutathione-ME476224-C1726717.40348862-
[ST (12:0) homo-seco-cholestatrien-tetrol-ME476601--3.365446989-
[ST hydrox] N-(3alpha-hydroxy-5beta-cholan-24-oyl)...Sulfoglycolithocholic acidME476600-C113014.368122748-
SuccinateSuccinic acidME476223-C0004215.51361774-
SulfoacetaldehydeSulfoacetaldehydeME476222-C0059311.5867812-
TaurocyamineTaurocyamineME476221-C0195915.6926339-
TaurodeoxycholateTaurodeoxycholic acidME476220-C054634.223955954-
TaurohyocholateTaurohyocholic acidME476219-C155164.732747294-
TauropineTauropineME476218-C0161612.21426434-
Tetracosanoic acidLignoceric acidME476217-C083203.684867165-
Tetracosatetraenoicacidn-6-ME476216--3.722296451-
Tetradecanoic acidMyristic acidME476215-C064243.87188283-
TG(51:8)TG 51:8ME476214--6.321785605-
Thiophanate-methyl-ME476213-C144329.668101756-
THTCTetrahydrothiophene-2-carboxylic acidME476212-C110747.682710336-
trans-Aconitatetrans-Aconitic acidME476211-C0234120.11829997-
TributyrinTG 4:0/4:0/4:0ME476210-C138704.137827763-
Tuberonic acid glucosideTuberonic acid glucosideME476209-C0855814.1157821-
UDP-D-xyloseUDP-D-xyloseME476208-C0019016.52909199-
Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylg...-ME476207-C058987.385366699-
UrateUric acidME476206-C0036612.67170356-
Urea-1-carboxylate-ME476205-C0101010.70335006-
UrethaneEthyl carbamateME476204-C015378.672627752-
ValerylglycineValerylglycineME476203--5.001082246-
VomifoliolVomifoliolME476202-C017604.244418379-
XylobioseXylobioseME476201-C0163015.75090253-
Zoapatanol-ME476200-C092054.257753554-


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