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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
ATPATPME428493----
AdenineAdenineME428494----
dCMPdCMPME428495----
dTMPdTMPME428496----
ThymidineThymidineME428497----
UDPUDPME428498----
IMPIMPME428499----
InosineInosineME428500----
HypoxanthineHypoxanthineME428501----
(S)(+)-AllantoinAllantoinME428502----
UrateUric acidME428503----
5-6-DihydrothymineDihydrothymineME428504----
PyridoxalPyridoxalME428505----
UDP-glucoseUDP-glucoseME428506----
DiphosphatePyrophosphateME428507----
D-GlucoseGlucoseME428508----
PyruvatePyruvic acidME428509----
LactateLactic acidME428510----
MannitolMannitolME428511----
D-RiboseRiboseME428512----
CitrateCitric acidME428513----
SuccinateSuccinic acidME428514----
FumarateFumaric acidME428515----
MalateMalic acidME428516----
OxaloacetateOxaloacetic acidME428517----
2-Hydroxyglutarate/Citramalate2-Hydroxyglutaric acidME428518----
Sedoheptulose 1-phosphateSedoheptulose 1-phosphateME428519----
alpha-D-Ribose 1-phosphateRibose 1-phosphateME428520----
Glutathione disulfideOxidized glutathioneME428521----
5-OxoprolinePyroglutamic acidME428522----
S-Glutathionyl-L-cysteineS-Glutathionyl-cysteineME428523----
AscorbateVitamin CME428524----
DehydroascorbateL-Dehydroascorbic acidME428525----
gamma-L-Glutamyl-L-cysteinegamma-GlutamylcysteineME428526----
gamma-L-Glutamyl-D-alaninegamma-L-Glutamyl-D-alanineME428527----
L-HomoserineHomoserineME428528----
N-AcetylneuraminateN-Acetylneuraminic acidME428529----
N-Glycoloyl-neuraminateN-Glycoloylneuraminic acidME428530----
1-4-beta-D-Xylan-ME428531----
UDP-N-acetyl-D-glucosamineUDP-N-acetylglucosamineME428532----
CMP-N-acetylneuraminateCMP-N-acetylneuraminic acidME428533----
N-AcetylornithineN-AcetylornithineME428534----
trans-4-Hydroxy-L-prolinetrans-4-HydroxyprolineME428535----
Aminofructose 6-phosphate-ME428536----
L-CysteateCysteic acidME428537----
DopamineDopamineME428538----
Glycerol 3-phosphatesn-Glycero-3-phosphateME428539----
Ethanolamine phosphatePhosphoethanolamineME428540----
sn-glycero-3-Phosphoethanolaminesn-Glycero-3-phosphoethanolamineME428541----
6-Pyruvoyltetrahydropterin-ME428542----
Peptide tryptophan-ME428543----
Shikimate 3-phosphate3-Phosphoshikimic acidME428544----
D-glucono-1,5-lactoneGluconolactoneME428545----
D-Ribitol 5-phosphateD-Ribitol 5-phosphateME428546----
Thioredoxin disulfide-ME428547----
PyridoxaminePyridoxamineME428548----
L-NoradrenalineNorepinephrineME428549----
OxalosuccinateOxalosuccinic acidME428550----


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-alanineAlanineME428551----
L-arginineArginineME428552----
L-asparagineAsparagineME428553----
L-aspartateAspartic acidME428554----
L-cysteineCysteineME428555----
L-glutamateGlutamic acidME428556----
L-glutamineGlutamineME428557----
glycineGlycineME428558----
L-histidineHistidineME428559----
L-leucineLeucineME428560----
L-isoleucineIsoleucineME428561----
L-lysineLysineME428562----
L-methionineMethionineME428563----
L-phenylalaninePhenylalanineME428564----
L-prolineProlineME428565----
L-serineSerineME428566----
L-threonineThreonineME428567----
L-tryptophanTryptophanME428568----
L-tyrosineTyrosineME428569----
L-valineValineME428570----
AMPAMPME428571----
CytosineCytosineME428572----
XanthineXanthineME428573----
AllantoateAllantoic acidME428574----
5-Hydroxyisourate5-Hydroxyisouric acidME428575----
NicotinamideNiacinamideME428576----
NAD+NAD+ME428577----
GlutathioneGlutathioneME428578----
Cys-GlyCys-GlyME428579----
gamma-Glutamyl-gamma-aminobutyrate4-(Glutamylamino) butanoateME428580----
5-L-Glutamyl-taurine5-L-Glutamyl-taurineME428581----
DimethylglycineDimethylglycineME428582----
PhosphoserinePhosphoserineME428583----
5-10-Methenyltetrahydrofolate5,10-Methenyl-THFME428584----
DihydrofolateDihydrofolic acidME428585----
OrnithineOrnithineME428586----
L-CitrullineCitrullineME428587----
PutrescinePutrescineME428588----
SpermidineSpermidineME428589----
SpermineSpermineME428590----
alpha-D-Glucosamine 1-phosphateGlucosamine 1-phosphateME428591----
D-GlucosamineGlucosamineME428592----
CarnosineCarnosineME428593----
CreatineCreatineME428594----
CreatinineCreatinineME428595----
4-Acetamidobutanoate4-Acetamidobutanoic acidME428596----
PantothenolPantothenolME428597----
TaurineTaurineME428598----
HypotaurineHypotaurineME428599----
2S-5S-Methionine sulfoximine(2S,5S)-Methionine sulfoximineME428600----
L-SelenomethionineSelenomethionineME428601----
3-Methyleneoxindole3-MethyleneoxindoleME428602----
IndoleIndoleME428603----
kynurenineKynurenineME428604----
Anthranilate2-Aminobenzoic acidME428605----
L-AdrenalineEpinephrineME428606----
N-Methylethanolamine phosphateN-Methylethanolamine phosphateME428607----
L-CarnitineCarnitineME428608----
TriacanthineTriacanthineME428609----
2-Methyleneglutarate-ME428610----
6-Lactoyl-5-6-7-8-tetrahydropterin6-LactoyltetrahydropterinME428611----
MethylenediureaMethylenediureaME428612----
3-Oxalomalate3-Oxalomalic acidME428613----
cis-p-Coumarate-ME428614----
Poly-gamma-D-glutamate-ME428615----
N-Acyl-D-aspartate-ME428616----


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