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


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


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