Accession NumberHMDB01886
Common_Name3-Methylxanthine
Description3-Methylxanthine is a caffeine and a theophylline metabolite. (PMID 16870158, 16678550) CYP1A2 probably plays a major role in theophylline 8-hydroxylation at a therapeutic concentration after the full development of CYP1A2 activity in children (after 3 years old). (PMID 9890610)
Chemical_IUPAC_Name3-methyl-7H-purine-2,6-dione
Chemical FormulaC6H6N4O2
Sample ConcentrationNot Available
Mass ValueNot Available
Mass Unitmg
ManufacturerQuattro_QQQ
AnalyzerTriple_Quad
DeliveryFlow_Injection
IonizationPositive
Predicted 1H NMR SpectrumDownload
Predicted 1H NMR PeaklistDownload
Predicted 13C NMR SpectrumDownload
Predicted 13C NMR PeaklistDownload
Sample ConcentrationNot Available
Mass ValueNot Available
Mass UnitNot Available
ManufacturerNot Available
FrequencyNot Available
1H NMR SpectrumNot Available
Sample ConcentrationNot Available
Mass ValueNot Available
Mass UnitNot Available
ManufacturerNot Available
FrequencyNot Available
13C NMR SpectrumNot Available
Low Energy Voltage10
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Low Energy PeaklistDownload
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