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Analysis: GC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
2_Hydroxyglutaric_acid2-Hydroxyglutaric acidME273974---433.3
alpha_Ketoglutaric_acid2-Oxoglutaric acidME273975---360.2
cis_Aconitic_acidcis-Aconitic acidME273976---459.3
Citric_acidCitric acidME273977---591.4
Fumaric_acidFumaric acidME273978---287.1
Isocitric_acidIsocitric acidME273979---591.4
Lactic_acidLactic acidME273980---261.2
Malic_acidMalic acidME273981---419.3
Oxaloacetic_acidOxaloacetic acidME273982---346.2
Succinic_acidSuccinic acidME273983---289.1


Analysis: Reversed phase POSITIVE ION MODE/Acyl carnitines

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
AcetylcarnitineCAR 2:0ME273984----
ButyrylcarnitineCAR 4:0ME273985----
CarnitineCarnitineME273986----
IsovalerylcarnitineCAR 4:0;3MeME273987----
LauroylcarnitineCAR 12:0ME273988----
MyristoylcarnitineCAR 14:0ME273989----
OctanoylcarnitineCAR 8:0ME273990----
OleoylcarnitineCAR 18:1ME273991----
PalmitoylcarnitineCAR 16:0ME273992----
PropionylcarnitineCAR 3:0ME273993----
StearoylcarnitineCAR 18:0ME273994----


Analysis: Reversed phase POSITIVE ION MODE/Amino acids

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
3_Methylhistidine3-MethylhistidineME273995----
5_Hydroxylysine5-HydroxylysineME273996----
AlanineAlanineME273997----
alpha_Aminobutyric_acid2-Aminobutyric acidME273998----
Aminoadipic_acidAminoadipic acidME273999----
ArginineArginineME274000----
AsparagineAsparagineME274001----
Aspartic_AcidAspartic acidME274002----
beta_Alaninebeta-AlanineME274003----
beta_Aminoisobutyric_acidbeta-Aminoisobutyric acidME274004----
CarnosineCarnosineME274005----
CitrullineCitrullineME274006----
CystathionineCystathionineME274007----
CysteineCysteineME274008----
EthanolamineEthanolamineME274009----
gamma_Aminobutyric_acidgamma-Aminobutyric acidME274010----
Glutamic_AcidGlutamic acidME274011----
GlutamineGlutamineME274012----
GlycineGlycineME274013----
HistidineHistidineME274014----
HydroxyprolineHydroxyprolineME274015----
IsoleucineIsoleucineME274016----
LeucineLeucineME274017----
LysineLysineME274018----
MethionineMethionineME274019----
OrnithineOrnithineME274020----
PhenylalaninePhenylalanineME274021----
PhosphoethanolaminePhosphoethanolamineME274022----
ProlineProlineME274023----
SarcosineSarcosineME274024----
SerineSerineME274025----
TaurineTaurineME274026----
ThreonineThreonineME274027----
TryptophanTryptophanME274028----
TyrosineTyrosineME274029----
ValineValineME274030----


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