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


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


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