Dataset

Allopurinol

This MassBank record with Accession MSBNK-Waters-WA001354 contains the MS mass spectrum of Allopurinol with the InChIkey OFCNXPDARWKPPY-UHFFFAOYSA-N.

Chemical Info

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 C1=C2C(=NC=NC2=O)NN1
InChI Key OFCNXPDARWKPPY-UHFFFAOYSA-N
Molecular Formula C5H4N4O
Exact Mass 136.039 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001354
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MetadataCreated 2024-01-11T22:37:11.702314
MetadataModified 2025-02-09T20:28:00.009047
MetadataPublished 2016-01-19
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