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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
5-Hydroxyisourate5-Hydroxyisouric acidME472984----
(5-L-Glutamyl)-L-glutaminegamma-GlutamylglutamineME472995----
5-Methylthioadenosine5'-MethylthioadenosineME473002----
5-OxoprolinePyroglutamic acidME472989----
AcetylcarnitineCAR 2:0ME473051----
AcetylcholineAcetylcholineME473031----
AdenineAdenineME472975----
AdenosineAdenosineME472974----
AllantoateAllantoic acidME472983----
AMPAMPME472973----
Anthranilate2-Aminobenzoic acidME473026----
ArgininosuccinateArgininosuccinic acidME473001----
Asymmetric dimethyl arginineDimethylarginineME473008----
ButyrylcarnitineCAR 4:0ME473036----
CarnosineCarnosineME473009----
CholineCholineME473030----
CMPCMPME472977----
CMP-N-acetylneuraminateCMP-N-acetylneuraminic acidME473007----
CreatineCreatineME473011----
CreatinineCreatinineME473012----
Cys-GlyCys-GlyME472991----
CystathionineCystathionineME472996----
CytidineCytidineME472978----
CytosineCytosineME472979----
DecanoylcarnitineCAR 10:0ME473044----
DimethylglycineDimethylglycineME472997----
DodecanoylcarnitineCAR 12:0ME473046----
DopamineDopamineME473028----
gamma-Glutamyl-gamma-aminobutyrate4-(Glutamylamino) butanoateME472994----
gamma-L-Glutamyl-D-alaninegamma-L-Glutamyl-D-alanineME472993----
gamma-L-Glutamyl-L-cysteinegamma-GlutamylcysteineME472992----
GlutathioneGlutathioneME472987----
Glutathione disulfideOxidized glutathioneME472988----
glycineGlycineME472959----
g-Oxalo-crotonate4-Oxalocrotonic acidME473027----
GuanidinoacetateGuanidoacetic acidME473014----
GuanineGuanineME472976----
HexadecadienoylcarnitineCAR 16:2ME473049----
HexanoylcarnitineCAR 6:0ME473039----
Hydroxydecanoyl carnitineCAR 10:0;OHME473045----
Hydroxydodecanoyl carnitineCAR 12:0;OHME473047----
Hydroxyhexadecanoyl carnitineCAR 16:0;OHME473050----
Hydroxyisovaleroyl carnitineCAR 4:0;OH,MeME473038----
Hydroxynonanoyl carnitineCAR 9:0;OHME473043----
Hydroxyoctanoyl carnitineCAR 8:0;OHME473042----
HydroxypropionylcarnitineCAR 3:0;OHME473034----
Hydroxytetradecanoyl carnitineCAR 14:0;OHME473048----
HypotaurineHypotaurineME473019----
HypoxanthineHypoxanthineME472982----
IndoleIndoleME473021----
Indole-3-acetateIndoleacetic acidME473022----
IndolepyruvateIndolepyruvateME473023----
InosineInosineME472981----
IsovalerylcarnitineCAR 4:0;3MeME473037----
Kynurenic acidKynurenic acidME473025----
KynurenineKynurenineME473024----
L-alanineAlanineME472952----
L-arginineArginineME472953----
L-asparagineAsparagineME472954----
L-aspartateAspartic acidME472955----
L-CarnitineCarnitineME473032----
L-CitrullineCitrullineME473000----
L-cysteineCysteineME472956----
L-cystineCystineME472972----
L-glutamateGlutamic acidME472957----
L-glutamineGlutamineME472958----
L-histidineHistidineME472960----
L-isoleucineIsoleucineME472962----
L-leucineLeucineME472961----
L-lysineLysineME472963----
L-methionineMethionineME472964----
L-Methionine S-oxideMethionine sulfoxideME473020----
L-phenylalaninePhenylalanineME472965----
L-prolineProlineME472966----
L-serineSerineME472967----
L-threonineThreonineME472968----
L-tryptophanTryptophanME472969----
L-tyrosineTyrosineME472970----
L-valineValineME472971----
MethylmalonylcarnitineCAR DC3:0;2MeME473035----
N1-AcetylspermidineN1-AcetylspermidineME473005----
N-acetyl-D-glucosamineN-Acetyl-D-glucosamineME473006----
N-Acetyl-L-ornithineN-AcetylornithineME473013----
NicotinamideNiacinamideME472985----
Nicotinic acidNicotinic acidME472986----
OctanoylcarnitineCAR 8:0ME473041----
OctenoylcarnitineCAR 8:1ME473040----
OrnithineOrnithineME472999----
PantetheinePantetheineME473017----
Pantetheine 4--phosphatePantetheine 4'-phosphateME473018----
PantothenolPantothenolME473016----
PhosphocreatinePhosphocreatineME473010----
PhosphoserinePhosphoserineME472998----
Propanoyl-carnitineCAR 3:0ME473033----
PutrescinePutrescineME473003----
S-Glutathionyl-L-cysteineS-Glutathionyl-cysteineME472990----
SpermidineSpermidineME473004----
SphingosineSphingosineME473029----
trans-4-Hydroxy-L-prolinetrans-4-HydroxyprolineME473015----
UDPUDPME472980----


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
2/3-Phospho-D-glycerate2-Phosphoglyceric acidME473077----
2-Aminomuconate2-Aminomuconic acidME473111----
2-Hydroxyglutarate2-Hydroxyglutaric acidME473093----
2-Oxoglutaramate2-Keto-glutaramic acidME473088----
2-Oxoglutarate2-Oxoglutaric acidME473087----
3-Hydroxyisobutyrate3-Hydroxyisobutyric acidME473101----
3-Sulfocatechol3-SulfocatecholME473109----
5-6-DihydrothymineDihydrothymineME473067----
(5Z-8Z-11Z-14Z-17Z)-Icosapentaenoic acidEPAME473136----
6-Phospho-D-gluconate6-Phosphogluconic acidME473096----
(7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaeno...DPAME473137----
(8Z-11Z-14Z)-Icosatrienoic acidDihomo-gamma-linolenic acidME473135----
Adenylosuccinic acidAdenylsuccinic acidME473068----
ADPADPME473053----
ADP-D-riboseADP-riboseME473070----
alpha-D-Glucosamine 1-phosphateGlucosamine 1-phosphateME473104----
alpha-D-Ribose 1-phosphateRibose 1-phosphateME473099----
ATPATPME473052----
Butanoic acidButyric acidME473117----
CDPCDPME473059----
CDP-ethanolamineCDP-EthanolamineME473115----
CitrateCitric acidME473086----
dAMPdAMPME473054----
D-Arabitol/Xylitol/Ribitol-ME473085----
Decanoic acid (caprate)Capric acidME473122----
DehydroascorbateL-Dehydroascorbic acidME473100----
D-Erythrose 4-phosphateErythrose 4-phosphateME473097----
D-Fructose 1-6-bisphosphateFructose 1,6-bisphosphateME473075----
D-Fructose 6-phosphateFructose 6-phosphateME473074----
D-Glucono-1-5-lactone 6-phosphate6-Phosphonoglucono-D-lactoneME473095----
D-Glucoronate-ME473105----
D-GlucoseGlucoseME473073----
D-Glyceraldehyde 3-phosphate/Glycerone phosphateGlyceraldehyde 3-phosphateME473076----
dGMPdGMPME473057----
DiphosphatePyrophosphateME473072----
Docosahexaenoic acidDocosahexaenoic acidME473133----
Dodecanedioic acidDodecanedioic acidME473134----
Dodecanoic acidLauric acidME473123----
D-RhamnoseRhamnoseME473084----
D-RiboseRiboseME473083----
Eicosapentaenoic acidEicosapentaenoic acidME473132----
Eicosatetraenoic acidEicosatetraenoic acidME473131----
FumarateFumaric acidME473090----
GDPGDPME473055----
Glycerol 3-phosphatesn-Glycero-3-phosphateME473113----
GMPGMPME473056----
GuanosineGuanosineME473058----
Heptanoic acidHeptylic acidME473119----
Hexadecanoic acidPalmitic acidME473125----
Hexadecenoic acidHexadecenoic acidME473127----
Hexanoic acid (caproate)Caproic acidME473118----
IMPIMPME473063----
ItaconateItaconic acidME473094----
LactateLactic acidME473080----
MalateMalic acidME473091----
Maltose/Sucrose-ME473081----
Mannitol/SorbitolSorbitolME473082----
N-Acetyl-L-citrullineN-AcetylcitrullineME473107----
N-AcetylneuraminateN-Acetylneuraminic acidME473102----
N-Glycoloyl-neuraminateN-Glycoloylneuraminic acidME473103----
Nonanoic acid (pelargonate)Pelargonic acidME473121----
Octadecadienoic acidOctadecadienoic acidME473129----
Octadecatrienoic acidOctadecatrienoic acidME473130----
Octadecenoic acidOctadecenoic acidME473128----
Octanoic acid (caprylate)Caprylic acidME473120----
OxaloacetateOxaloacetic acidME473092----
PhosphatePhosphoric acidME473071----
PhosphoenolpyruvatePhosphoenolpyruvic acidME473078----
PhosphoethanolaminePhosphoethanolamineME473114----
PyruvatePyruvic acidME473079----
Quinolinic acidQuinolinic acidME473110----
(S)(+)-AllantoinAllantoinME473065----
Sedoheptulose 1-phosphateSedoheptulose 1-phosphateME473098----
sn-glycero-3-Phosphoethanolaminesn-Glycero-3-phosphoethanolamineME473112----
Sphingosine 1-phosphateSphingosine 1-phosphateME473116----
SuccinateSuccinic acidME473089----
TaurineTaurineME473108----
Tetradecanoic acidMyristic acidME473124----
Tetradecenoic acidTetradecenoic acidME473126----
ThymidineThymidineME473060----
UDP-D-glucuronateUDP-glucuronic acidME473106----
UDP-glucoseUDP-glucoseME473069----
UMPUMPME473061----
UracilUracilME473062----
UrateUric acidME473066----
XanthineXanthineME473064----


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