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Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
2',3'-Cyclic CMP2',3' cyclic CMPME471305-C02354--
5-6-DihydrothymineDihydrothymineME471306-C00906--
5-6-Dihydrouracil-ME471327-C00429--
5-Guanidino-2-oxopentanoate2-OxoarginineME471320-C03771--
5-Hydroxyisourate5-Hydroxyisouric acidME471304-C11821--
5-OxoprolinePyroglutamic acidME471313-C01879--
acetyl-carnitine (acyl-C2)-ME471343-C02571--
AcetylcholineAcetylcholineME471341-C01996--
acyl-C18:2 (Linoleoyl-CoA)-ME471359-HMDB01064--
acyl-C18:2-OH-ME471360-ac123--
acyl-C20:4-ME471361-ac125--
acyl-C4-OH (Hydroxybutyrylcarnitine)-ME471346-HMDB13127--
acyl-C5:1 (Tiglylcarnitine)-ME471347-HMDB02366--
acyl-C5-OH (hydroxyisovalerylcarnitine)-ME471348-ac107--
AllantoateAllantoic acidME471303-C00499--
Anthranilate2-Aminobenzoic acidME471335-C00108--
butanoyl-l-carnitine (acyl-C4)-ME471345-C02862--
CreatineCreatineME471321-C00300--
CreatinineCreatinineME471322-C00791--
CytosineCytosineME471301-C00380--
DimethylglycineDimethylglycineME471315-C01026--
EctoineEctoineME471337-C06231--
GlutathioneGlutathioneME471311-C00051--
Glutathione disulfideOxidized glutathioneME471312-C00127--
GuanidinoacetateGuanidoacetic acidME471324-C00581--
Hexadecenoyl-carnitine (acyl-C16:1)-ME471357-HMDB06317--
hexanoyl-L-carnitine (acyl-C6)-ME471349-HMDB00756--
IDPIDPME471302-C00104--
IndoleIndoleME471330-C00463--
Indole-3-acetaldehydeIndoleacetaldehydeME471331-C00637--
Indole-3-acetateIndoleacetic acidME471332-C00954--
IndoxylIndoxylME471333-C05658--
kynurenineKynurenineME471334-C00328--
L-alanineAlanineME471283-C00041--
L-arginineArginineME471284-C00062--
L-asparagineAsparagineME471285-C00152--
L-aspartateAspartic acidME471286-C00049--
L-CarnitineCarnitineME471342-C00318--
L-CitrullineCitrullineME471318-C00327--
L-cystineCystineME471300-C00491--
L-glutamateGlutamic acidME471287-C00025--
L-glutamineGlutamineME471288-C00064--
L-histidineHistidineME471289-C00135--
L-leucine/isoleucine-ME471290-C00123--
L-lysineLysineME471291-C00047--
L-methionineMethionineME471292-C00073--
L-Methionine S-oxideMethionineME471329-C02989--
L-octanoylcarnitine (acyl-C8)-ME471350-C02838--
L-Palmitoylcarnitine (acyl-C16)-ME471356-C02990--
L-phenylalaninePhenylalanineME471293-C00079--
L-prolineProlineME471294-C00148--
L-serineSerineME471295-C00065--
L-threonineThreonineME471296-C00188--
L-tryptophanTryptophanME471297-C00078--
L-tyrosineTyrosineME471298-C00082--
L-valineValineME471299-C00183--
N-AcetylornithineN-AcetylornithineME471323-C00437--
NicotinamideNiacinamideME471309-C00153--
N-Methylethanolamine phosphateN-Methylethanolamine phosphateME471338-C01210--
O-Decenoyl-L-carnitine (acyl-C10:1)-ME471351-CID57357170--
O-dodecanoyl-carnitine (acyl-C12)-ME471352-HMDB02250--
O-dodecenoyl-carnitine (acyl-C12:1)-ME471353-HMDB13326--
O-octadecenoyl-L-carnitine (acyl-C18:1)-ME471358-HMDB06351--
OrnithineOrnithineME471317-C01602--
O-tetradecanoyl-L-carnitine (acyl-C14)-ME471354-HMDB05066--
PantothenolPantothenolME471326-C00864--
PhosphatePhosphoric acidME471310-C00009--
PhosphoserinePhosphoserineME471316-C02532--
propionyl-carnitine (acyl-C3)-ME471344-C03017--
PyridoxalPyridoxalME471307-C00250--
Pyridoxamine 5'-phosphatePyridoxamine 5'-phosphateME471308-C00647--
SerotoninSerotoninME471336-C00780--
S-Glutathionyl-L-cysteineS-Glutathionyl-cysteineME471314-C05526--
SpermidineSpermidineME471319-C00315--
SphingosineSphingosineME471339-C00319--
Sphingosine 1-phosphateSphingosine 1-phosphateME471340-C06124--
TaurineTaurineME471328-C00245--
Tetradecenoyl Carnitine (acyl-C14:1)-ME471355-HMDB13329--
trans-4-Hydroxy-L-prolinetrans-4-HydroxyprolineME471325-C01157--


Analysis: Reversed phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
1/2-3-Bisphosphoglycerate-ME471376-C00236--
1-4-beta-D-Xylan-ME471403-C02352--
2/3-Phospho-D-glycerate-ME471377-C00631--
2-Hydroxyglutarate/Citramalate-ME471391-C02630--
2-Oxoglutaramate2-Keto-glutaramic acidME471387-C00940--
2-OxoglutarateOxoglutaric acidME471386-C00026--
3',5'-Cyclic IMP-ME471371-C00943--
3D-(3-5/4)-Trihydroxycyclohexane-1-2-dione-ME471415-C04287--
3-Sulfocatechol3-SulfocatecholME471409-C06336--
4-Acetamidobutanoate4-Acetamidobutanoic acidME471406-C02946--
5-Hydroxyindoleacetate5-Hydroxyindoleacetic acidME471411-C05635--
(5-L-Glutamyl)-L-glutaminegamma-GlutamylglutamineME471397-C05283--
5-L-Glutamyl-taurine5-L-Glutamyl-taurineME471398-C05844--
6-Hydroxykynurenic acid-ME471413-C08480--
8-Methoxykynurenate-ME471414-C05830--
AdenineAdenineME471363-C00147--
Adrenic acid (7,10,13,16-Docosatetraenoic acid)-ME471437-C16527--
a-Linolenic acid (Octadecatrienoic acid)-ME471432-C06427--
alpha-D-Glucosamine 1-phosphateGlucosamine 1-phosphateME471402-C06156--
alpha-D-Ribose 1-phosphateRibose 1-phosphateME471393-C00620--
Arachidonic acid (Eicosatetraenoic acid)-ME471433-C00219--
AscorbateVitamin CME471394-C00072--
BilirubinBilirubinME471442-C00486--
CitrateCitric acidME471385-C00158--
CMPCMPME471364-C00055--
CMP-N-acetylneuraminate-ME471404-C00128--
dAMPdAMPME471362-C00360--
D-ArabitolArabitolME471384-C01904--
Decanoic acid (capric acid)-ME471423-C01571--
DehydroascorbateL-Dehydroascorbic acidME471395-C05422--
D-GlucoseGlucoseME471373-C00031--
D-Glucose 6/1-phosphate-ME471374-C02965--
D-Glyceraldehyde 3-phosphate/Glycerone phosphate-ME471375-C00118--
Dihomo-gamma-linolenic acid ((8Z-11Z-14Z)-Icosatri...-ME471439-C03242--
DiphosphatePyrophosphateME471372-C00013--
Docosahexaenoic acidDocosahexaenoic acidME471435-C06429--
Docosapentaenoic acid ((7Z-10Z-13Z-16Z-19Z)-Docosa...-ME471440-C16513--
Dodecanedioic acidDodecanedioic acidME471436-C02678--
Dodecanoic acid (lauric acid)-ME471424-C02679--
D-RhamnoseRhamnoseME471383-C01684--
D-RiboseRiboseME471382-C00121--
Eicosapentaenoic acidEicosapentaenoic acidME471438-C06428--
Ethanolamine phosphatePhosphoethanolamineME471417-C00346--
FumarateFumaric acidME471389-C00122--
gamma-L-Glutamyl-D-alaninegamma-L-Glutamyl-D-alanineME471396-C03738--
Glycerol 3-phosphatesn-Glycero-3-phosphateME471416-C00093--
Heptanoic acidHeptylic acidME471420-C17714--
Hexadecanoic acid (palmitic acid)-ME471426-C00249--
Hexadecenoic acid (Palmitoleic acid)-ME471429-C08362--
Hexanoic acid (caproate)-ME471419-C01585--
IndolepyruvateIndolepyruvateME471412-C00331--
InosineInosineME471367-C00294--
LactateLactic acidME471380-C01432--
L-CysteateCysteic acidME471410-C00506--
Linoleic acid ((9Z,12Z)-Octadecadienoic acid)-ME471431-C01595--
MalateMalic acidME471390-C00149--
Mannitol/SorbitolSorbitolME471381-C00392/C00794--
N-AcetylneuraminateN-Acetylneuraminic acidME471400-C00270--
N-Glycoloyl-neuraminateN-GlycoloylneuraminateME471401-C03410--
Nonanoic acid (pelargonic acid)-ME471422-C01601--
N-Succinyl-L-glutamate 5-semialdehyde-ME471407-C05932--
Octadecanoic acid (stearic acid)-ME471427-C01530--
Octadecenoic acid (Oleic acid)-ME471430-C00712--
Octanoic acid (caprylic acid)-ME471421-C06423--
PhosphocreatinePhosphocreatineME471405-C02305--
PhosphoenolpyruvatePhosphoenolpyruvic acidME471378-C00074--
PyruvatePyruvic acidME471379-C00022--
(S)(+)-AllantoinAllantoinME471369-C02350--
Sedoheptulose 1/7-phosphate-ME471392-C06222--
Sphinganine 1-phosphateSphinganine 1-phosphateME471418-C01120--
Stearidonic acid ((6Z,9Z,12Z,15Z)-Octadecatetraeno...-ME471434-C16300--
SuccinateSuccinic acidME471388-C00042--
Tetradecanoic acid (myristic acid)-ME471425-C06424--
Tetradecenoic acid (myristoleic acid)-ME471428-C08322--
Tetrahydrofolate6R-THFME471399-C00101--
Thiosulfate-ME471408-C00320--
ThymidineThymidineME471365-C00214--
ThymineThymineME471366-C00178--
Undecanoic acidUndecylic acidME471441-C17715--
UrateUric acidME471370-C00366--
XanthineXanthineME471368-C00385--


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