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Analysis: HILIC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
4-Hydroxyphenylpyruvic acid4-Hydroxyphenylpyruvic acidME411097--1.01-
Heptadecanoic acidMargaric acidME411124--1.04-
Anthranilic acid2-Aminobenzoic acidME411072--1.05-
MelatoninMelatoninME411114--1.05-
Myristic acidMyristic acidME411113--1.05-
AcetoacetateAcetoacetic acidME411040--1.37-
undecanedioic acidUndecanedioic acidME411109--1.39-
Citraconic acidCitraconic acidME411060--1.42-
ChenodeoxycholateChenodeoxycholic acidME411135--1.49-
Hippuric acidHippuric acidME411096--1.53-
Homovanillic acidHomovanillic acidME411100--1.54-
L-Leucic acidLeucinic acidME411066--1.56-
Adipic acidAdipic acidME411075--1.57-
Glutaric acidGlutaric acidME411064--1.63-
Nicotinic acidNicotinic acidME411057--1.67-
Gibberellic acidGibberellin A3ME411132--1.7-
NicotinamideNiacinamideME411056--1.7-
Succinate (dibasic)Succinic acidME411053--1.81-
L-LactateLactic acidME411039--1.92-
D-(-)-ErythroseErythroseME411055--2.02-
glycolic acidGlycolic acidME411036--2.27-
N-AcetylglycineN-AcetylglycineME411051--2.3-
Fumarate dibasicFumaric acidME411050--2.33-
PyruvatePyruvic acidME411037--2.38-
GlycochenodeoxycholateGlycochenodeoxycholic acidME411136--2.49-
BiotinBiotinME411118--2.58-
2'-DeoxyuridineDeoxyuridineME411112--2.9-
4-Pyridoxic acid4-Pyridoxic acidME411102--2.97-
Malonic acidMalonic acidME411043--2.99-
AcetylcholineAcetylcholineME411073--3.04-
Pyroglutamic acidPyroglutamic acidME411059--3.22-
trans-Aconitic acidtrans-Aconitic acidME411092--3.71-
Glycocholic acidGlycocholic acidME411137--3.81-
Shikimic acidShikimic acidME411093--3.9-
UracilUracilME411048--3.9-
UridineUridineME411117--3.9-
HypoxanthineHypoxanthineME411071--3.96-
AdenineAdenineME411070--4.01-
AdenosineAdenosineME411122--4.14-
CholineCholineME411042--4.22-
AllantoinAllantoinME411084--4.54-
7-methylguanine7-MethylguanineME411088--4.61-
XanthineXanthineME411080--4.63-
Kynurenic acidKynurenic acidME411104--4.9-
InosineInosineME411123--5.02-
Xanthurenic acidXanthurenic acidME411107--5.21-
CytosineCytosineME411046--5.33-
DL-NormetanephrineNormetanephrineME411103--5.46-
L-PhenylalaninePhenylalanineME411089--5.46-
XanthosineXanthosineME411126--5.52-
alpha-Ketoglutaric acid2-Oxoglutaric acidME411074--5.74-
CytidineCytidineME411116--5.88-
L-LeucineLeucineME411063--6.11-
3-Nitro-L-TyrosineNitrotyrosineME411111--6.18-
L-TryptophanTryptophanME411106--6.22-
L-KynurenineKynurenineME411108--6.24-
GuanosineGuanosineME411125--6.26-
L-ValineValineME411052--6.31-
Orotic acidOrotic acidME411083--6.38-
CarnitineCarnitineME411086--6.5-
D-SorbitolSorbitolME411101--6.62-
L-MethionineMethionineME411079--6.63-
L-Glyceric acidGlyceric acidME411045--6.68-
Uric AcidUric acidME411091--6.79-
L-Proline (Reagents Plus)ProlineME411049--6.9-
TaurineTaurineME411058--6.95-
Pyridoxal 5' phosphatePyridoxal 5'-phosphateME411119--7.02-
5'-Hydroxy-L-tryptophan5-Hydroxy-tryptophanME411110--7.05-
L-TyrosineTyrosineME411099--7.05-
Phenylpyruvic acidPhenylpyruvic acidME411087--7.05-
2-Aminoisobutyric acidAminoisobutyric acidME411041--7.31-
D-Fructose 1,6-biphosphateFructose 1,6-bisphosphateME411130--7.47-
AlanineAlanineME411038--7.62-
creatineCreatineME411062--7.63-
trans-4-Hydroxy-L-prolinetrans-4-HydroxyprolineME411061--7.74-
DL-2-Aminoadipic acidalpha-Aminoadipic acidME411085--7.9-
L-ThreonineThreonineME411054--7.93-
SucroseSucroseME411131--8.11-
L-Glutamic acidGlutamic acidME411078--8.18-
DL-Malic acidMalic acidME411069--8.25-
L-GlutamineGlutamineME411076--8.25-
HistamineHistamineME411047--8.29-
L-SerineSerineME411044--8.3-
Phospho(enol)pyruvic acidPhosphoenolpyruvic acidME411090--8.32-
L-AsparagineAsparagineME411065--8.37-
L-Glutathione ReducedGlutathioneME411128--8.42-
L-citrullineCitrullineME411095--8.45-
myo-InositolMyo-inositolME411098--8.45-
D-Glucuronic acidGlucuronic acidME411105--8.55-
Adenosine 5'-MonophosphateAMPME411133--8.59-
CystamineCystamineME411081--8.63-
L-Aspartic acidAspartic acidME411068--8.68-
Inosine 5'-monophosphateIMPME411134--8.75-
2'-Deoxycytidine 5'-monophosphatedCMPME411127--8.77-
ArginineArginineME411094--8.94-
Cytidine 5'-MonophosphateCMPME411129--8.99-
HistidineHistidineME411082--8.99-
L-LysineLysineME411077--9-
L-OrnithineOrnithineME411067--9.03-
α-D-Glucose 1-phosphateGlucose 1-phosphateME411120--9.05-
Adenosine 5'-triphosphateATPME411138--9.1-
O-phospho-L-tyrosineO-PhosphotyrosineME411121--9.12-
L-CystineCystineME411115--9.34-
L-Glutathione OxidizedGlutathioneME411139--9.4-


Analysis: HILIC NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
4-Hydroxyphenylpyruvic acid4-Hydroxyphenylpyruvic acidME411201--1.01-
Heptadecanoic acidMargaric acidME411228--1.04-
Anthranilic acid2-Aminobenzoic acidME411176--1.05-
MelatoninMelatoninME411218--1.05-
Myristic acidMyristic acidME411217--1.05-
AcetoacetateAcetoacetic acidME411144--1.37-
undecanedioic acidUndecanedioic acidME411213--1.39-
Citraconic acidCitraconic acidME411164--1.42-
ChenodeoxycholateChenodeoxycholic acidME411239--1.49-
Hippuric acidHippuric acidME411200--1.53-
Homovanillic acidHomovanillic acidME411204--1.54-
L-Leucic acidLeucinic acidME411170--1.56-
Adipic acidAdipic acidME411179--1.57-
Glutaric acidGlutaric acidME411168--1.63-
Nicotinic acidNicotinic acidME411161--1.67-
Gibberellic acidGibberellin A3ME411236--1.7-
NicotinamideNiacinamideME411160--1.7-
Succinate (dibasic)Succinic acidME411157--1.81-
L-LactateLactic acidME411143--1.92-
D-(-)-ErythroseErythroseME411159--2.02-
glycolic acidGlycolic acidME411140--2.27-
N-AcetylglycineN-AcetylglycineME411155--2.3-
Fumarate dibasicFumaric acidME411154--2.33-
PyruvatePyruvic acidME411141--2.38-
GlycochenodeoxycholateGlycochenodeoxycholic acidME411240--2.49-
BiotinBiotinME411222--2.58-
2'-DeoxyuridineDeoxyuridineME411216--2.9-
4-Pyridoxic acid4-Pyridoxic acidME411206--2.97-
Malonic acidMalonic acidME411147--2.99-
AcetylcholineAcetylcholineME411177--3.04-
Pyroglutamic acidPyroglutamic acidME411163--3.22-
trans-Aconitic acidtrans-Aconitic acidME411196--3.71-
Glycocholic acidGlycocholic acidME411241--3.81-
Shikimic acidShikimic acidME411197--3.9-
UracilUracilME411152--3.9-
UridineUridineME411221--3.9-
HypoxanthineHypoxanthineME411175--3.96-
AdenineAdenineME411174--4.01-
AdenosineAdenosineME411226--4.14-
CholineCholineME411146--4.22-
AllantoinAllantoinME411188--4.54-
7-methylguanine7-MethylguanineME411192--4.61-
XanthineXanthineME411184--4.63-
Kynurenic acidKynurenic acidME411208--4.9-
InosineInosineME411227--5.02-
Xanthurenic acidXanthurenic acidME411211--5.21-
CytosineCytosineME411150--5.33-
DL-NormetanephrineNormetanephrineME411207--5.46-
L-PhenylalaninePhenylalanineME411193--5.46-
XanthosineXanthosineME411230--5.52-
alpha-Ketoglutaric acid2-Oxoglutaric acidME411178--5.74-
CytidineCytidineME411220--5.88-
L-LeucineLeucineME411167--6.11-
3-Nitro-L-TyrosineNitrotyrosineME411215--6.18-
L-TryptophanTryptophanME411210--6.22-
L-KynurenineKynurenineME411212--6.24-
GuanosineGuanosineME411229--6.26-
L-ValineValineME411156--6.31-
Orotic acidOrotic acidME411187--6.38-
CarnitineCarnitineME411190--6.5-
D-SorbitolSorbitolME411205--6.62-
L-MethionineMethionineME411183--6.63-
L-Glyceric acidGlyceric acidME411149--6.68-
Uric AcidUric acidME411195--6.79-
L-Proline (Reagents Plus)ProlineME411153--6.9-
TaurineTaurineME411162--6.95-
Pyridoxal 5' phosphatePyridoxal 5'-phosphateME411223--7.02-
5'-Hydroxy-L-tryptophan5-Hydroxy-tryptophanME411214--7.05-
L-TyrosineTyrosineME411203--7.05-
Phenylpyruvic acidPhenylpyruvic acidME411191--7.05-
2-Aminoisobutyric acidAminoisobutyric acidME411145--7.31-
D-Fructose 1,6-biphosphateFructose 1,6-bisphosphateME411234--7.47-
AlanineAlanineME411142--7.62-
creatineCreatineME411166--7.63-
trans-4-Hydroxy-L-prolinetrans-4-HydroxyprolineME411165--7.74-
DL-2-Aminoadipic acidalpha-Aminoadipic acidME411189--7.9-
L-ThreonineThreonineME411158--7.93-
SucroseSucroseME411235--8.11-
L-Glutamic acidGlutamic acidME411182--8.18-
DL-Malic acidMalic acidME411173--8.25-
L-GlutamineGlutamineME411180--8.25-
HistamineHistamineME411151--8.29-
L-SerineSerineME411148--8.3-
Phospho(enol)pyruvic acidPhosphoenolpyruvic acidME411194--8.32-
L-AsparagineAsparagineME411169--8.37-
L-Glutathione ReducedGlutathioneME411232--8.42-
L-citrullineCitrullineME411199--8.45-
myo-InositolMyo-inositolME411202--8.45-
D-Glucuronic acidGlucuronic acidME411209--8.55-
Adenosine 5'-MonophosphateAMPME411237--8.59-
CystamineCystamineME411185--8.63-
L-Aspartic acidAspartic acidME411172--8.68-
Inosine 5'-monophosphateIMPME411238--8.75-
2'-Deoxycytidine 5'-monophosphatedCMPME411231--8.77-
ArginineArginineME411198--8.94-
Cytidine 5'-MonophosphateCMPME411233--8.99-
HistidineHistidineME411186--8.99-
L-LysineLysineME411181--9-
L-OrnithineOrnithineME411171--9.03-
α-D-Glucose 1-phosphateGlucose 1-phosphateME411224--9.05-
Adenosine 5'-triphosphateATPME411242--9.1-
O-phospho-L-tyrosineO-PhosphotyrosineME411225--9.12-
L-CystineCystineME411219--9.34-
L-Glutathione OxidizedGlutathioneME411243--9.4-


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