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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
2/3-Phospho-D-glycerate2-Phosphoglyceric acidME827221----
2-Hydroxyglutarate/Citramalate2-Hydroxyglutaric acidME827231----
2-Oxoglutarate2-Oxoglutaric acidME827227----
4-Pyridoxate4-Pyridoxic acidME827213----
ADP-D-riboseADP-riboseME827215----
alpha-D-Ribose 1-phosphateRibose 1-phosphateME827233----
ATPATPME827209----
CDPCDPME827210----
CitrateCitric acidME827226----
D-GlucoseGlucoseME827218----
D-Glucose 6/1-phosphateHexose 6-phosphateME827219----
D-Glyceraldehyde 3-phosphate/Glycerone phosphateGlyceraldehyde 3-phosphateME827220----
DimethylglycineDimethylglycineME827234----
DiphosphatePyrophosphateME827217----
dTMPdTMPME827211----
FumarateFumaric acidME827229----
LactateLactic acidME827223----
MalateMalic acidME827230----
MaltoseMaltoseME827224----
Mannitol/SorbitolSorbitolME827225----
N-AcetylneuraminateN-Acetylneuraminic acidME827235----
N-Glycoloyl-neuraminateN-Glycolylneuraminic acidME827236----
PhosphatePhosphoric acidME827216----
PhosphocreatinePhosphocreatineME827238----
PyruvatePyruvic acidME827222----
Sedoheptulose 1/7-phosphate-ME827232----
Sphinganine 1-phosphateSphinganine 1-phosphateME827239----
SuccinateSuccinic acidME827228----
UDP-glucoseUDP-glucoseME827214----
UDP-N-acetyl-D-glucosamineUDP-N-acetylglucosamineME827237----
UTPUTPME827212----


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-MethyleneoxindoleME827310----
5-Hydroxyisourate5-Hydroxyisouric acidME827278----
5-OxoprolinePyroglutamic acidME827285----
acetyl-carnitine (acyl-C2)CAR 2:0ME827321----
AcetylcholineAcetylcholineME827318----
AdenineAdenineME827263----
AdenosineAdenosineME827262----
ADPADPME827259----
AllantoateAllantoic acidME827277----
AMPAMPME827260----
Anthranilate2-Aminobenzoic acidME827314----
ArgininosuccinateArgininosuccinic acidME827296----
AscorbateVitamin CME827287----
butanoyl-l-carnitine (acyl-C4)CAR 4:0ME827323----
CholineCholineME827319----
CMPCMPME827267----
CreatineCreatineME827301----
CreatinineCreatinineME827302----
Cys-GlyCys-GlyME827286----
CytidineCytidineME827268----
CytosineCytosineME827269----
dAMPdAMPME827261----
DehydroascorbateL-Dehydroascorbic acidME827288----
EctoineEctoineME827316----
gamma-Glutamyl-Se-methylselenocysteinegamma-Glutamyl-Se-methylselenocysteineME827290----
gamma-L-Glutamyl-L-cysteinegamma-GlutamylcysteineME827289----
GlutathioneGlutathioneME827283----
Glutathione disulfideOxidized glutathioneME827284----
GMPGMPME827264----
g-Oxalo-crotonate4-Oxalocrotonic acidME827315----
GuanidinoacetateGuanidoacetic acidME827304----
GuanineGuanineME827266----
GuanosineGuanosineME827265----
Hexadecenoyl-carnitine (acyl-C16:1)CAR 16:1ME827330----
hexanoyl-L-carnitine (acyl-C6)CAR 6:0ME827324----
HomocarnosineHomocarnosineME827300----
HypotaurineHypotaurineME827308----
HypoxanthineHypoxanthineME827275----
IMPIMPME827273----
Indole-3-acetaldehydeIndoleacetaldehydeME827311----
Indole-3-acetateIndoleacetic acidME827312----
IndolepyruvateIndolepyruvateME827313----
InosineInosineME827274----
L-alanineAlanineME827240----
L-arginineArginineME827241----
L-asparagineAsparagineME827242----
L-aspartateAspartic acidME827243----
L-CarnitineCarnitineME827320----
L-CitrullineCitrullineME827295----
L-cysteineCysteineME827244----
L-cystineCystineME827258----
L-glutamateGlutamic acidME827245----
L-glutamineGlutamineME827246----
L-histidineHistidineME827247----
L-leucine/isoleucineLeucineME827248----
L-lysineLysineME827249----
L-methionineMethionineME827250----
L-Methionine S-oxideMethionine sulfoxideME827309----
L-octanoylcarnitine (acyl-C8)CAR 8:0ME827325----
L-Palmitoylcarnitine (acyl-C16)CAR 16:0ME827329----
L-phenylalaninePhenylalanineME827251----
L-prolineProlineME827252----
L-serineSerineME827253----
L-threonineThreonineME827254----
L-tryptophanTryptophanME827255----
L-tyrosineTyrosineME827256----
L-valineValineME827257----
N-Acetyl-L-citrullineN-AcetylcitrullineME827303----
NAD+NADME827282----
NADP+NADPME827281----
NicotinamideNiacinamideME827280----
N-Succinyl-L-glutamate 5-semialdehyde-ME827306----
Octadecanoyl-L-carnitine (acyl-C18)CAR 18:0ME827331----
O-Decenoyl-L-carnitine (acyl-C10:1)-ME827326----
O-dodecenoyl-carnitine (acyl-C12:1)CAR 12:1ME827327----
O-octadecenoyl-L-carnitine (acyl-C18:1)CAR 18:1ME827332----
OrnithineOrnithineME827294----
O-tetradecanoyl-L-carnitine (acyl-C14)CAR 14:0ME827328----
PhosphoserinePhosphoserineME827291----
propionyl-carnitine (acyl-C3)CAR 3:0ME827322----
PutrescinePutrescineME827297----
S-Adenosyl-L-homocysteineS-AdenosylhomocysteineME827292----
S-Adenosyl-L-methionineS-AdenosylmethionineME827293----
SpermidineSpermidineME827298----
SpermineSpermineME827299----
SphingosineSphingosineME827317----
TaurineTaurineME827307----
trans-4-Hydroxy-L-prolinetrans-4-HydroxyprolineME827305----
UDPUDPME827270----
UMPUMPME827271----
UracilUracilME827272----
UrateUric acidME827279----
XanthineXanthineME827276----


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