Dataset

Allopurinol; LC-ESI-QTOF; MS2; 100 V

This MassBank record with Accession MSBNK-BAFG-CSL2311091511 contains the MS2 mass spectrum of Allopurinol with the InChIkey OFCNXPDARWKPPY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)
SMILES O=C1N=CN=C2NNC=C12
InChI Key OFCNXPDARWKPPY-UHFFFAOYSA-N
Molecular Formula C5H4N4O
Exact Mass 136.038 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311091511
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MetadataPublished 2023-11-09
Related Molecule
  • 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.