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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
ATPATPME827870----
ADPADPME827871----
AMPAMPME827872----
GuanosineGuanosineME827873----
GuanineGuanineME827874----
CTPCTPME827875----
InosineInosineME827876----
UrateUric acidME827877----
4-Pyridoxate4-Pyridoxic acidME827878----
UDP-glucoseUDP-glucoseME827879----
ADP-D-riboseADP-riboseME827880----
Flavin mononucleotideFMNME827881----
PhosphatePhosphoric acidME827882----
DiphosphatePyrophosphateME827883----
D-GlucoseGlucoseME827884----
D-Glyceraldehyde 3-phosphate/Glycerone phosphateGlyceraldehyde 3-phosphateME827885----
2/3-Phospho-D-glycerate2-Phosphoglyceric acidME827886----
PyruvatePyruvic acidME827887----
LactateLactic acidME827888----
MaltoseMaltoseME827889----
MannitolMannitolME827890----
CitrateCitric acidME827891----
2-Oxoglutarate2-Oxoglutaric acidME827892----
SuccinateSuccinic acidME827893----
FumarateFumaric acidME827894----
MalateMalic acidME827895----
2-Hydroxyglutarate/Citramalate2-Hydroxyglutaric acidME827896----
Sedoheptulose 1-phosphateSedoheptulose 1-phosphateME827897----
alpha-D-Ribose 1-phosphateRibose 1-phosphateME827898----
GlutathioneGlutathioneME827899----
S-Glutathionyl-L-cysteineS-Glutathionyl-cysteineME827900----
DimethylglycineDimethylglycineME827901----
N-Glycoloyl-neuraminateN-Glycolylneuraminic acidME827902----
UDP-N-acetyl-D-glucosamineUDP-N-acetylglucosamineME827903----
PhosphocreatinePhosphocreatineME827904----
N-AcetylornithineN-AcetylornithineME827905----
ThiocysteineThiocysteineME827906----
Hexanoic acid (caproate)Caproic acidME827907----
Heptanoic acidHeptylic acidME827908----
Octanoic acid (caprylate)Caprylic acidME827909----
Nonanoic acid (pelargonate)Pelargonic acidME827910----
Decanoic acid (caprate)Capric acidME827911----
Dodecanoic acidLauric acidME827912----
Tetradecanoic acidMyristic acidME827913----
Hexadecanoic acidPalmitic acidME827914----
Octadecanoic acidStearic acidME827915----
Tetradecenoic acidTetradecenoic acidME827916----
Hexadecenoic acidHexadecenoic acidME827917----
Octadecenoic acidOctadecenoic acidME827918----
LinoleateLinoleic acidME827919----
Octadecatrienoic acidOctadecatrienoic acidME827920----
Eicosatetraenoic acidEicosatetraenoic acidME827921----
Docosahexaenoic acidDocosahexaenoic acidME827922----
(8Z-11Z-14Z)-Icosatrienoic acidDihomo-gamma-linolenic acidME827923----
(7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaeno...DPAME827924----


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-alanineAlanineME827925----
L-arginineArginineME827926----
L-asparagineAsparagineME827927----
L-aspartateAspartic acidME827928----
L-cysteineCysteineME827929----
L-glutamateGlutamic acidME827930----
L-glutamineGlutamineME827931----
L-histidineHistidineME827932----
L-leucine/L-isoleucine-ME827933----
L-lysineLysineME827934----
L-methionineMethionineME827935----
L-phenylalaninePhenylalanineME827936----
L-prolineProlineME827937----
L-serineSerineME827938----
L-threonineThreonineME827939----
L-tryptophanTryptophanME827940----
L-tyrosineTyrosineME827941----
L-valineValineME827942----
L-cystineCystineME827943----
AdenosineAdenosineME827944----
GMPGMPME827945----
CMPCMPME827946----
CytidineCytidineME827947----
CytosineCytosineME827948----
ThymineThymineME827949----
UracilUracilME827950----
HypoxanthineHypoxanthineME827951----
XanthineXanthineME827952----
PyridoxalPyridoxalME827953----
NicotinamideNiacinamideME827954----
NAD+NADME827955----
Glutathione disulfideOxidized glutathioneME827956----
5-OxoprolinePyroglutamic acidME827957----
Cys-GlyCys-GlyME827958----
gamma-L-Glutamyl-L-cysteinegamma-GlutamylcysteineME827959----
5-10-Methenyltetrahydrofolate5,10-Methenyl-THFME827960----
OrnithineOrnithineME827961----
L-CitrullineCitrullineME827962----
SpermidineSpermidineME827963----
CreatineCreatineME827964----
CreatinineCreatinineME827965----
GuanidinoacetateGuanidoacetic acidME827966----
PantothenolPantothenolME827967----
TaurineTaurineME827968----
HypotaurineHypotaurineME827969----
Indole-3-acetateIndoleacetic acidME827970----
kynurenineKynurenineME827971----
SphingosineSphingosineME827972----
Sphingosine 1-phosphateSphingosine 1-phosphateME827973----
AcetylcholineAcetylcholineME827974----
CholineCholineME827975----
L-CarnitineCarnitineME827976----
acyl-C2 (acetyl-carnitine)CAR 2:0ME827977----
acyl-C3 (propionyl-carnitine)CAR 3:0ME827978----
acyl-C4 (butanoyl-l-carnitine)CAR 4:0ME827979----
acyl-C4-OH (Hydroxybutyrylcarnitine)CAR 4:0;OHME827980----
acyl-C5 (isovalerylcarnitine)CAR 4:0;3MeME827981----
acyl-C5-OHCAR 5:0;OHME827982----
acyl-C6 (hexanoyl-l-carnitine)CAR 6:0ME827983----
acyl-C12:1 (O-dodecenoyl-carnitine)CAR 12:1ME827984----
acyl-C14 (O-tetradecanoyl-L-carnitine)CAR 14:0ME827985----
acyl-C14:1 (Tetradecenoyl Carnitine)CAR 14:1ME827986----


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