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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-Oxoglutarate2-Oxoglutaric acidME827345----
2/3-Phospho-D-glycerate2-Phosphoglyceric acidME827339----
4-Acetamidobutanoate4-Acetamidobutanoic acidME827349----
ATPATPME827333----
Decanoic acid (caprate)Capric acidME827352----
Octanoic acid (caprylate)Caprylic acidME827350----
CitrateCitric acidME827344----
Dodecanedioic acidDodecanedioic acidME827359----
D-Fructose 1-6-bisphosphateFructose 1,6-bisphosphateME827337----
FumarateFumaric acidME827347----
D-GlucoseGlucoseME827336----
D-Glyceraldehyde 3-phosphate/Glycerone phosphateGlyceraldehyde 3-phosphateME827338----
Hexadecenoic acidHexadecenoic acidME827356----
LactateLactic acidME827342----
Dodecanoic acidLauric acidME827353----
LinoleateLinoleic acidME827358----
MalateMalic acidME827348----
MannitolMannitolME827343----
Tetradecanoic acidMyristic acidME827354----
Octadecenoic acidOctadecenoic acidME827357----
Hexadecanoic acidPalmitic acidME827355----
Nonanoic acid (pelargonate)Pelargonic acidME827351----
PhosphoenolpyruvatePhosphoenolpyruvic acidME827340----
PhosphatePhosphoric acidME827334----
DiphosphatePyrophosphateME827335----
PyruvatePyruvic acidME827341----
SuccinateSuccinic acidME827346----


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
Anthranilate2-Aminobenzoic acidME827415----
3',5'-Cyclic AMP3',5' cyclic AMPME827389----
4-Pyridoxate4-Pyridoxic acidME827391----
5-Hydroxyisourate5-Hydroxyisouric acidME827387----
AdenosineAdenosineME827377----
ADPADPME827375----
AMPAMPME827376----
L-arginineArginineME827360----
ArgininosuccinateArgininosuccinic acidME827401----
L-asparagineAsparagineME827361----
L-aspartateAspartic acidME827362----
CadaverineCadaverineME827402----
acyl-C12:1 (O-dodecenoyl-carnitine)CAR 12:1ME827425----
acyl-C2 (acetyl-carnitine)CAR 2:0ME827419----
acyl-C3 (propionyl-carnitine)CAR 3:0ME827420----
acyl-C4 (butanoyl-l-carnitine)CAR 4:0ME827421----
acyl-C5 (isovalerylcarnitine)CAR 4:0;3MeME827424----
acyl-C4-OH (Hydroxybutyrylcarnitine)CAR 4:0;OHME827422----
acyl-C4-DCCAR DC4:0ME827423----
L-CarnitineCarnitineME827418----
CDPCDPME827380----
CreatineCreatineME827406----
L-cystineCystineME827374----
CytosineCytosineME827381----
DopamineDopamineME827417----
L-AdrenalineEpinephrineME827416----
FolateFolic acidME827399----
gamma-L-Glutamyl-D-alaninegamma-L-Glutamyl-D-alanineME827398----
D-GlucosamineGlucosamineME827405----
L-glutamateGlutamic acidME827363----
L-glutamineGlutamineME827364----
GlutathioneGlutathioneME827394----
GMPGMPME827378----
GuanidinoacetateGuanidoacetic acidME827407----
GuanineGuanineME827379----
L-histidineHistidineME827365----
HypoxanthineHypoxanthineME827385----
IMPIMPME827383----
IndoleIndoleME827410----
Indole-3-acetaldehydeIndoleacetaldehydeME827411----
IndoxylIndoxylME827412----
InosineInosineME827384----
kynurenineKynurenineME827413----
L-lysineLysineME827366----
L-methionineMethionineME827367----
L-Methionine S-oxideMethionine sulfoxideME827409----
N-formyl kynurenineN-FormylkynurenineME827414----
NicotinamideNiacinamideME827393----
OrnithineOrnithineME827400----
Glutathione disulfideOxidized glutathioneME827395----
PantothenolPantothenolME827408----
L-phenylalaninePhenylalanineME827368----
L-prolineProlineME827369----
PyridoxalPyridoxalME827390----
Pyridoxamine 5'-phosphatePyridoxamine 5'-phosphateME827392----
5-OxoprolinePyroglutamic acidME827396----
L-serineSerineME827370----
S-Glutathionyl-L-cysteineS-Glutathionyl-cysteineME827397----
SpermidineSpermidineME827403----
SpermineSpermineME827404----
L-threonineThreonineME827371----
ThymineThymineME827382----
L-tryptophanTryptophanME827372----
UrateUric acidME827388----
L-valineValineME827373----
XanthineXanthineME827386----


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