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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-MethyleneoxindoleME402696----
3-PhosphonooxypyruvatePhosphohydroxypyruvic acidME402685----
5-Hydroxyisourate5-Hydroxyisouric acidME402674----
(5-L-Glutamyl)-L-glutaminegamma-GlutamylglutamineME402683----
AcetylcholineAcetylcholineME402700----
acyl-C10 (O-Decanoyl-L-carnitine)CAR 10:0ME402712----
acyl-C12:1 (O-dodecenoyl-carnitine)CAR 12:1ME402713----
acyl-C2 (acetyl-carnitine)CAR 2:0ME402703----
acyl-C3 (propionyl-carnitine)CAR 3:0ME402704----
acyl-C4 (butanoyl-l-carnitine)CAR 4:0ME402705----
acyl-C4-OH (Hydroxybutyrylcarnitine)CAR 4:0;OHME402708----
acyl-C5:1 (Tiglylcarnitine)CAR 5:1ME402706----
acyl-C5 (isovalerylcarnitine)CAR 4:0;3MeME402707----
acyl-C6 (hexanoyl-l-carnitine)CAR 6:0ME402709----
acyl-C8:1 (octenoyl-l-carnitine)CAR 8:1ME402710----
acyl-C8 (L-octanoylcarnitineCAR 8:0ME402711----
AdenineAdenineME402670----
AdenosineAdenosineME402669----
Adenylosuccinic acidAdenylsuccinic acidME402677----
Anthranilate2-Aminobenzoic acidME402698----
CarnosineCarnosineME402692----
CholineCholineME402701----
cis-p-Coumarate-ME402714----
CMPCMPME402671----
CreatineCreatineME402693----
CreatinineCreatinineME402694----
Cys-GlyCys-GlyME402681----
CystathionineCystathionineME402684----
CytosineCytosineME402672----
gamma-L-Glutamyl-L-cysteinegamma-GlutamylcysteineME402682----
GlutathioneGlutathioneME402679----
Glutathione disulfideOxidized glutathioneME402680----
glycineGlycineME402657----
Indole-3-acetateIndoleacetic acidME402697----
L-alanineAlanineME402650----
L-arginineArginineME402651----
L-asparagineAsparagineME402652----
L-aspartateAspartic acidME402653----
L-CarnitineCarnitineME402702----
L-CitrullineCitrullineME402688----
L-cysteineCysteineME402654----
L-glutamateGlutamic acidME402655----
L-glutamineGlutamineME402656----
L-histidineHistidineME402658----
L-leucineLeucineME402659----
L-lysineLysineME402660----
L-methionineMethionineME402661----
L-phenylalaninePhenylalanineME402662----
L-prolineProlineME402663----
L-serineSerineME402664----
L-threonineThreonineME402665----
L-tryptophanTryptophanME402666----
L-tyrosineTyrosineME402667----
L-valineValineME402668----
NAD+NAD+ME402678----
NicotinamideNiacinamideME402676----
OrnithineOrnithineME402687----
PutrescinePutrescineME402689----
Pyridoxamine 5'-phosphatePyridoxamine 5'-phosphateME402675----
S-Adenosyl-L-methionineS-AdenosylmethionineME402686----
Shikimate 3-phosphate3-Phosphoshikimic acidME402715----
SpermidineSpermidineME402690----
SpermineSpermineME402691----
SphingosineSphingosineME402699----
TaurineTaurineME402695----
UracilUracilME402673----


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 acidME402740----
2-Hydroxyglutarate/Citramalate2-Hydroxyglutaric acidME402750----
2-Oxoglutarate2-Oxoglutaric acidME402746----
3',5'-Cyclic AMP3',5' cyclic AMPME402732----
5-6-DihydrothymineDihydrothymineME402734----
5-6-DihydrouracilDihydrouracilME402765----
5-Hydroxyindoleacetate5-Hydroxyindoleacetic acidME402767----
5-OxoprolinePyroglutamic acidME402753----
5'-Phosphoribosyl-N-formylglycinamideFGARME402733----
6-Phospho-D-gluconate6-Phosphogluconic acidME402751----
ADPADPME402717----
alpha-D-Ribose 1-phosphateRibose 1-phosphateME402752----
AMPAMPME402718----
ArgininosuccinateArgininosuccinic acidME402759----
AscorbateVitamin CME402755----
ATPATPME402716----
CDP-cholineCDP-cholineME402775----
Cholesterol sulfateCholesterol sulfateME402778----
CitrateCitric acidME402745----
CMP-N-acetylneuraminateCMP-N-acetylneuraminic acidME402761----
CytidineCytidineME402723----
D-ArabitolArabitolME402744----
DehydroascorbateL-Dehydroascorbic acidME402756----
D-Fructose 1-6-bisphosphateFructose 1,6-bisphosphateME402739----
D-GlucoseGlucoseME402738----
DimethylglycineDimethylglycineME402758----
DiphosphatePyrophosphateME402737----
dTMPdTMPME402724----
Ethanolamine phosphatePhosphoethanolamineME402772----
FumarateFumaric acidME402748----
gamma-L-Glutamyl-D-alaninegamma-L-Glutamyl-D-alanineME402757----
GDPGDPME402720----
Glycerol 3-phosphatesn-Glycero-3-phosphateME402771----
Glycochenodeoxycholic acidGlycochenodeoxycholic acidME402779----
GMPGMPME402721----
g-Oxalo-crotonate4-Oxalocrotonic acidME402770----
GTPGTPME402719----
GuanosineGuanosineME402722----
Hexanoic acid (caproate)Caproic acidME402777----
HypoxanthineHypoxanthineME402729----
IndoleIndoleME402768----
InosineInosineME402728----
LactateLactic acidME402742----
L-Methionine S-oxideMethionine sulfoxideME402766----
MalateMalic acidME402749----
MannitolMannitolME402743----
N-AcetylornithineN-AcetylornithineME402762----
N-Methylethanolamine phosphateN-Methylethanolamine phosphateME402773----
OxalosuccinateOxalosuccinic acidME402782----
PantothenolPantothenolME402764----
Pentanoate (valerate)Valeric acidME402776----
PyridoxalPyridoxalME402735----
PyruvatePyruvic acidME402741----
quinolinic acidQuinolinic acidME402769----
S-Acylglutathione-ME402781----
(S)(+)-AllantoinAllantoinME402731----
S-Glutathionyl-L-cysteineS-Glutathionyl-cysteineME402754----
sn-glycero-3-Phosphoethanolaminesn-Glycero-3-phosphoethanolamineME402774----
SuccinateSuccinic acidME402747----
Tauroursodeoxycholic/taurochenodeoxycholic/taurode...-ME402780----
ThymineThymineME402725----
trans-4-Hydroxy-L-prolinetrans-4-HydroxyprolineME402763----
UDPUDPME402726----
UDP-glucoseUDP-glucoseME402736----
UDP-N-acetyl-D-glucosamineUDP-N-acetylglucosamineME402760----
UMPUMPME402727----
XanthineXanthineME402730----


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