Dataset

2-Mercaptopurine

This MassBank record with Accession MSBNK-Waters-WA002768 contains the MS mass spectrum of 2-Mercaptopurine with the InChIkey HDBQZGJWHMCXIL-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C5H4N4S/c10-5-6-1-3-4(9-5)8-2-7-3/h1-2H,(H2,6,7,8,9,10)
SMILES S=C(N1)NC(=N2)C(N=C2)=C1
InChI Key HDBQZGJWHMCXIL-UHFFFAOYSA-N
Molecular Formula C5H4N4S
Exact Mass 152.016 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-WA002768
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MetadataCreated 2024-01-11T22:42:42.147852
MetadataModified 2025-02-09T20:21:52.004265
MetadataPublished 2016-01-19
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