Dataset

2-Mercaptopurine; LC-ESI-Q; MS; POS; 15 V, 30 V

This MassBank record with Accession MSBNK-Waters-WA002770 contains the MS mass spectrum of 2-Mercaptopurine with the InChIkey HDBQZGJWHMCXIL-UHFFFAOYSA-N.

Chemical Information

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-WA002770
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 7H-purine-2-thiol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    6880663 eMolecules
    592146 eMolecules
    15243108 PubChem: Thomson Pharma
    SCHEMBL3896 SureChEMBL
    28128-19-0 ACToR
    81XK02929C FDA SRS
    ZINC000012955987 ZINC
    J250.658K Nikkaji
    16902 Brenda
    DTXSID60878767 EPA CompTox Dashboard
    3015569 PubChem
    The data in this table is sourced from UniChem at EBI.