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Analysis: None (Direct infusion) POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
2-Aminoisobutyric acidAminoisobutyric acidME411249----
2'-Deoxycytidine 5'-monophosphatedCMPME411335----
2'-DeoxyuridineDeoxyuridineME411320----
3-Nitro-L-TyrosineNitrotyrosineME411319----
4-Hydroxyphenylpyruvic acid4-Hydroxyphenylpyruvic acidME411305----
4-Pyridoxic acid4-Pyridoxic acidME411310----
5'-Hydroxy-L-tryptophan5-Hydroxy-tryptophanME411318----
7-methylguanine7-MethylguanineME411296----
AcetoacetateAcetoacetic acidME411248----
AcetylcholineAcetylcholineME411281----
AdenineAdenineME411278----
AdenosineAdenosineME411330----
Adenosine 5'-MonophosphateAMPME411341----
Adenosine 5'-triphosphateATPME411346----
Adipic acidAdipic acidME411283----
AlanineAlanineME411246----
AllantoinAllantoinME411292----
alpha-Ketoglutaric acidOxoglutaric acidME411282----
Anthranilic acid2-Aminobenzoic acidME411280----
ArginineArginineME411302----
BiotinBiotinME411326----
CarnitineCarnitineME411294----
ChenodeoxycholateChenodeoxycholic acidME411343----
CholineCholineME411250----
Citraconic acidCitraconic acidME411268----
creatineCreatineME411270----
CystamineCystamineME411289----
CytidineCytidineME411324----
Cytidine 5'-MonophosphateCMPME411337----
CytosineCytosineME411254----
D-(-)-ErythroseErythroseME411263----
D-Fructose 1,6-biphosphateFructose 1,6-bisphosphateME411338----
D-Glucuronic acidGlucuronic acidME411313----
DL-2-Aminoadipic acidalpha-Aminoadipic acidME411293----
DL-Malic acidMalic acidME411277----
DL-NormetanephrineNormetanephrineME411311----
D-SorbitolSorbitolME411309----
Fumarate dibasicFumaric acidME411258----
Gibberellic acidGibberellin A3ME411340----
Glutaric acidGlutaric acidME411272----
GlycochenodeoxycholateGlycochenodeoxycholic acidME411344----
Glycocholic acidGlycocholic acidME411345----
glycolic acidGlycolic acidME411244----
GuanosineGuanosineME411333----
Heptadecanoic acidMargaric acidME411332----
Hippuric acidHippuric acidME411304----
HistamineHistamineME411255----
HistidineHistidineME411290----
Homovanillic acidHomovanillic acidME411308----
HypoxanthineHypoxanthineME411279----
InosineInosineME411331----
Inosine 5'-monophosphateIMPME411342----
Kynurenic acidKynurenic acidME411312----
L-AsparagineAsparagineME411273----
L-Aspartic acidAspartic acidME411276----
L-citrullineCitrullineME411303----
L-CystineCystineME411323----
L-Glutamic acidGlutamic acidME411286----
L-GlutamineGlutamineME411284----
L-Glutathione OxidizedGlutathioneME411347----
L-Glutathione ReducedGlutathioneME411336----
L-Glyceric acidGlyceric acidME411253----
L-KynurenineKynurenineME411316----
L-LactateLactic acidME411247----
L-Leucic acidLeucinic acidME411274----
L-LeucineLeucineME411271----
L-LysineLysineME411285----
L-MethionineMethionineME411287----
L-OrnithineOrnithineME411275----
L-PhenylalaninePhenylalanineME411297----
L-Proline (Reagents Plus)ProlineME411257----
L-SerineSerineME411252----
L-ThreonineThreonineME411262----
L-TryptophanTryptophanME411314----
L-TyrosineTyrosineME411307----
L-ValineValineME411260----
Malonic acidMalonic acidME411251----
MelatoninMelatoninME411322----
myo-InositolMyo-inositolME411306----
Myristic acidMyristic acidME411321----
N-AcetylglycineN-AcetylglycineME411259----
NicotinamideNiacinamideME411264----
Nicotinic acidNicotinic acidME411265----
O-phospho-L-tyrosineO-PhosphotyrosineME411329----
Orotic acidOrotic acidME411291----
Phenylpyruvic acidPhenylpyruvic acidME411295----
Phospho(enol)pyruvic acidPhosphoenolpyruvic acidME411298----
Pyridoxal 5' phosphatePyridoxal 5'-phosphateME411327----
Pyroglutamic acidPyroglutamic acidME411267----
PyruvatePyruvic acidME411245----
Shikimic acidShikimic acidME411301----
Succinate (dibasic)Succinic acidME411261----
SucroseSucroseME411339----
TaurineTaurineME411266----
trans-4-Hydroxy-L-prolinetrans-4-HydroxyprolineME411269----
trans-Aconitic acidtrans-Aconitic acidME411300----
undecanedioic acidUndecanedioic acidME411317----
UracilUracilME411256----
Uric AcidUric acidME411299----
UridineUridineME411325----
XanthineXanthineME411288----
XanthosineXanthosineME411334----
Xanthurenic acidXanthurenic acidME411315----
α-D-Glucose 1-phosphateGlucose 1-phosphateME411328----


Analysis: None (Direct infusion) NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
2-Aminoisobutyric acidAminoisobutyric acidME411353----
2'-Deoxycytidine 5'-monophosphatedCMPME411439----
2'-DeoxyuridineDeoxyuridineME411424----
3-Nitro-L-TyrosineNitrotyrosineME411423----
4-Hydroxyphenylpyruvic acid4-Hydroxyphenylpyruvic acidME411409----
4-Pyridoxic acid4-Pyridoxic acidME411414----
5'-Hydroxy-L-tryptophan5-Hydroxy-tryptophanME411422----
7-methylguanine7-MethylguanineME411400----
AcetoacetateAcetoacetic acidME411352----
AcetylcholineAcetylcholineME411385----
AdenineAdenineME411382----
AdenosineAdenosineME411434----
Adenosine 5'-MonophosphateAMPME411445----
Adenosine 5'-triphosphateATPME411450----
Adipic acidAdipic acidME411387----
AlanineAlanineME411350----
AllantoinAllantoinME411396----
alpha-Ketoglutaric acidOxoglutaric acidME411386----
Anthranilic acid2-Aminobenzoic acidME411384----
ArginineArginineME411406----
BiotinBiotinME411430----
CarnitineCarnitineME411398----
ChenodeoxycholateChenodeoxycholic acidME411447----
CholineCholineME411354----
Citraconic acidCitraconic acidME411372----
creatineCreatineME411374----
CystamineCystamineME411393----
CytidineCytidineME411428----
Cytidine 5'-MonophosphateCMPME411441----
CytosineCytosineME411358----
D-(-)-ErythroseErythroseME411367----
D-Fructose 1,6-biphosphateFructose 1,6-bisphosphateME411442----
D-Glucuronic acidGlucuronic acidME411417----
DL-2-Aminoadipic acidalpha-Aminoadipic acidME411397----
DL-Malic acidMalic acidME411381----
DL-NormetanephrineNormetanephrineME411415----
D-SorbitolSorbitolME411413----
Fumarate dibasicFumaric acidME411362----
Gibberellic acidGibberellin A3ME411444----
Glutaric acidGlutaric acidME411376----
GlycochenodeoxycholateGlycochenodeoxycholic acidME411448----
Glycocholic acidGlycocholic acidME411449----
glycolic acidGlycolic acidME411348----
GuanosineGuanosineME411437----
Heptadecanoic acidMargaric acidME411436----
Hippuric acidHippuric acidME411408----
HistamineHistamineME411359----
HistidineHistidineME411394----
Homovanillic acidHomovanillic acidME411412----
HypoxanthineHypoxanthineME411383----
InosineInosineME411435----
Inosine 5'-monophosphateIMPME411446----
Kynurenic acidKynurenic acidME411416----
L-AsparagineAsparagineME411377----
L-Aspartic acidAspartic acidME411380----
L-citrullineCitrullineME411407----
L-CystineCystineME411427----
L-Glutamic acidGlutamic acidME411390----
L-GlutamineGlutamineME411388----
L-Glutathione OxidizedGlutathioneME411451----
L-Glutathione ReducedGlutathioneME411440----
L-Glyceric acidGlyceric acidME411357----
L-KynurenineKynurenineME411420----
L-LactateLactic acidME411351----
L-Leucic acidLeucinic acidME411378----
L-LeucineLeucineME411375----
L-LysineLysineME411389----
L-MethionineMethionineME411391----
L-OrnithineOrnithineME411379----
L-PhenylalaninePhenylalanineME411401----
L-Proline (Reagents Plus)ProlineME411361----
L-SerineSerineME411356----
L-ThreonineThreonineME411366----
L-TryptophanTryptophanME411418----
L-TyrosineTyrosineME411411----
L-ValineValineME411364----
Malonic acidMalonic acidME411355----
MelatoninMelatoninME411426----
myo-InositolMyo-inositolME411410----
Myristic acidMyristic acidME411425----
N-AcetylglycineN-AcetylglycineME411363----
NicotinamideNiacinamideME411368----
Nicotinic acidNicotinic acidME411369----
O-phospho-L-tyrosineO-PhosphotyrosineME411433----
Orotic acidOrotic acidME411395----
Phenylpyruvic acidPhenylpyruvic acidME411399----
Phospho(enol)pyruvic acidPhosphoenolpyruvic acidME411402----
Pyridoxal 5' phosphatePyridoxal 5'-phosphateME411431----
Pyroglutamic acidPyroglutamic acidME411371----
PyruvatePyruvic acidME411349----
Shikimic acidShikimic acidME411405----
Succinate (dibasic)Succinic acidME411365----
SucroseSucroseME411443----
TaurineTaurineME411370----
trans-4-Hydroxy-L-prolinetrans-4-HydroxyprolineME411373----
trans-Aconitic acidtrans-Aconitic acidME411404----
undecanedioic acidUndecanedioic acidME411421----
UracilUracilME411360----
Uric AcidUric acidME411403----
UridineUridineME411429----
XanthineXanthineME411392----
XanthosineXanthosineME411438----
Xanthurenic acidXanthurenic acidME411419----
α-D-Glucose 1-phosphateGlucose 1-phosphateME411432----


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