Dataset

Allopurinol

This MassBank record with Accession MSBNK-Fiocruz-FIO00458 contains the MS2 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=NNC2=C1C(=O)NC=N2
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-Fiocruz-FIO00458
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T16:34:47.902419
MetadataModified 2024-01-11T16:34:48.094136
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables