Dataset

Oxypurinol; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ377252 contains the MS2 mass spectrum of Oxypurinol with the InChIkey HXNFUBHNUDHIGC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)
SMILES C1=C2C(=NC(=O)NC2=O)NN1
InChI Key HXNFUBHNUDHIGC-UHFFFAOYSA-N
Molecular Formula C5H4N4O2
Exact Mass 152.033 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ377252
Version
Author
Maintainer
Language
MetadataPublished 2021-03-16
Related Molecule
  • 1,2-dihydropyrazolo[3,4-d]pyrimidine-4,6-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB05262 drugbank
    CHEBI:28315 chebi
    141 rcsb_pdb
    CHEMBL859 chembl
    2017937 surechembl
    2077651 surechembl
    39154 surechembl
    49280 surechembl
    49281 surechembl
    8256426 surechembl
    8256749 surechembl
    8256863 surechembl
    8257647 surechembl
    8258215 surechembl
    8258318 surechembl
    8258418 surechembl
    8260172 surechembl
    135398752 pubchem
    G97OZE5068 fdasrs
    PD008633 probes_and_drugs
    16615 brenda
    37694 brenda
    44638 brenda
    44640 brenda
    51104 brenda
    6865 brenda
    91605 brenda
    141 - Ideal conformer pdbe
    HMDB0000786 hmdb
    Molport-003-846-776 molport
    Molport-003-959-085 molport
    50423777 bindingdb
    The data in this table is sourced from UniChem at EBI.