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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
3-Methyleneoxindole3-MethyleneoxindoleME402835----
4-Aminobenzoatep-Aminobenzoic acidME402846----
5-6-DihydrothymineDihydrothymineME402811----
(5-L-Glutamyl)-L-glutaminegamma-GlutamylglutamineME402820----
AcetylcholineAcetylcholineME402840----
AllantoateAllantoic acidME402810----
alpha-D-Glucosamine 1-phosphateGlucosamine 1-phosphateME402828----
AMPAMPME402803----
beta-Butoxyethyl nicotinate-ME402849----
CDP-cholineCDP-cholineME402841----
CholineCholineME402842----
cis-p-Coumarate-ME402850----
CreatineCreatineME402829----
CreatinineCreatinineME402830----
Cys-GlyCys-GlyME402817----
CytosineCytosineME402806----
dAMPdAMPME402804----
DimethylglycineDimethylglycineME402821----
D-Ribose 5-diphosphateD-Ribose 5-diphosphateME402853----
gamma-Glutamyl-gamma-aminobutyrate4-(Glutamylamino) butanoateME402819----
gamma-L-Glutamyl-D-alaninegamma-L-Glutamyl-D-alanineME402818----
GlutathioneGlutathioneME402815----
Glutathione disulfideOxidized glutathioneME402816----
glycineGlycineME402790----
g-Oxalo-crotonate4-Oxalocrotonic acidME402836----
GuanineGuanineME402805----
HypotaurineHypotaurineME402833----
IMPIMPME402808----
Inositol 1-2-3-5-6-pentakisphosphate-ME402838----
L-AdrenalineEpinephrineME402837----
L-alanineAlanineME402783----
L-arginineArginineME402784----
L-asparagineAsparagineME402785----
L-aspartateAspartic acidME402786----
L-CarnitineCarnitineME402843----
L-CitrullineCitrullineME402824----
L-cysteineCysteineME402787----
L-cystineCystineME402802----
LeucocyanidinLeucocyanidinME402847----
L-glutamateGlutamic acidME402788----
L-glutamineGlutamineME402789----
L-histidineHistidineME402791----
L-leucineLeucineME402792----
L-lysineLysineME402793----
L-methionineMethionineME402794----
L-Methionine S-oxideMethionine sulfoxideME402834----
L-phenylalaninePhenylalanineME402795----
L-prolineProlineME402796----
L-serineSerineME402797----
L-threonineThreonineME402798----
L-tryptophanTryptophanME402799----
L-tyrosineTyrosineME402800----
L-valineValineME402801----
MethylenediureaMethylenediureaME402848----
N-Acyl-D-aspartate-ME402856----
N-Acyl-D-glutamate-ME402855----
NAD+NAD+ME402813----
NicotinamideNiacinamideME402812----
N-Methylethanolamine phosphateN-Methylethanolamine phosphateME402839----
PantothenolPantothenolME402831----
PentobarbitalPentobarbitalME402844----
PhosphatePhosphoric acidME402814----
PhosphoserinePhosphoserineME402822----
Poly-gamma-D-glutamate-ME402852----
PutrescinePutrescineME402825----
S-Adenosyl-L-methionineS-AdenosylmethionineME402823----
Shikimate 3-phosphate3-Phosphoshikimic acidME402851----
SpermidineSpermidineME402826----
SpermineSpermineME402827----
TaurineTaurineME402832----
Thioredoxin disulfide-ME402854----
TriacanthineTriacanthineME402845----
UracilUracilME402807----
XanthineXanthineME402809----


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 acidME402880----
2-Hydroxyglutarate/Citramalate2-Hydroxyglutaric acidME402890----
2-Oxo-7-methylthioheptanoic acid2-Oxo-7-methylthioheptanoic acidME402913----
2-Oxoglutarate2-Oxoglutaric acidME402885----
5-OxoprolinePyroglutamic acidME402895----
5-Phospho-alpha-D-ribose 1-diphosphatePhosphoribosyl pyrophosphateME402894----
AdenineAdenineME402860----
AdenosineAdenosineME402859----
Adenylosuccinic acidAdenylsuccinic acidME402875----
ADPADPME402858----
alpha-D-Ribose 1-phosphateRibose 1-phosphateME402893----
AscorbateVitamin CME402896----
ATPATPME402857----
CatechinCatechinME402910----
CDPCDPME402866----
CitrateCitric acidME402884----
CMPCMPME402867----
CMP-N-acetylneuraminateCMP-N-acetylneuraminic acidME402902----
CTPCTPME402865----
CystathionineCystathionineME402899----
CytidineCytidineME402868----
DehydroascorbateL-Dehydroascorbic acidME402897----
D-Erythrose 4-phosphateErythrose 4-phosphateME402891----
D-Fructose 1-6-bisphosphateFructose 1,6-bisphosphateME402879----
D-GlucoseGlucoseME402878----
DiphosphatePyrophosphateME402877----
dTMPdTMPME402869----
Ethanolamine phosphatePhosphoethanolamineME402907----
FumarateFumaric acidME402887----
gamma-L-Glutamyl-L-cysteinegamma-GlutamylcysteineME402898----
GDPGDPME402862----
Glycerol 3-phosphatesn-Glycero-3-phosphateME402906----
Glycerone sulfateGlycerone sulfateME402912----
GMPGMPME402863----
GTPGTPME402861----
GuanosineGuanosineME402864----
HypoxanthineHypoxanthineME402874----
InosineInosineME402873----
LactateLactic acidME402882----
MalateMalic acidME402888----
MannitolMannitolME402883----
N-AcetylneuraminateN-Acetylneuraminic acidME402900----
Nonanoic acid (pelargonate)Pelargonic acidME402909----
N-Succinyl-L-glutamate 5-semialdehyde-ME402905----
Octanoic acid (caprylate)Caprylic acidME402908----
OxaloacetateOxaloacetic acidME402889----
PhosphocreatinePhosphocreatineME402903----
PhosphoenolpyruvatePhosphoenolpyruvic acidME402881----
S-Acylglutathione-ME402911----
Sedoheptulose 1-phosphateSedoheptulose 1-phosphateME402892----
SuccinateSuccinic acidME402886----
trans-4-Hydroxy-L-prolinetrans-4-HydroxyprolineME402904----
UDPUDPME402871----
UDP-glucoseUDP-glucoseME402876----
UDP-N-acetyl-D-glucosamineUDP-N-acetylglucosamineME402901----
UMPUMPME402872----
UTPUTPME402870----


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