Dataset

Allopurinol; LC-ESI-Q; MS; POS; 75 V

This MassBank record with Accession MSBNK-Waters-WA001351 contains the MS mass spectrum of Allopurinol with the InChIkey OFCNXPDARWKPPY-UHFFFAOYSA-N.

Chemical Information

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-WA001351
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1467 ChEMBL
    DB00437 DrugBank
    22395219 PubChem: Drugs of the Future
    SAM002554884 NIH Clinical Collection
    ALLOPURINOL DailyMed
    35440 BindingDB
    ZYLOPRIM rxnorm
    ALLOPURINOL rxnorm
    ALLOPURINOL SODIUM rxnorm
    ALLOPURINOL clinicaltrials
    ALLOPURINOL SODIUM clinicaltrials
    LOPURIN clinicaltrials
    HY-B0219 MedChemExpress
    ZYLOPRIM clinicaltrials
    CB31081805 ChemicalBook
    DTXSID4022573 EPA CompTox Dashboard
    181133 BindingDB
    124 DrugCentral
    6795 Guide to Pharmacology
    J2.034F Nikkaji
    ALOPUR CCDC
    ALOPRIM rxnorm
    CB3587524 ChemicalBook
    154362 Brenda
    135401907 PubChem
    27677536 eMolecules
    15146664 PubChem: Thomson Pharma
    PD002486 ProbesDrugs
    allopurinol Atlas
    63CZ7GJN5I FDA SRS
    LSM-5919 LINCS
    15119988 PubChem: Thomson Pharma
    180749-08-0 ACToR
    SCHEMBL4627 SureChEMBL
    PA448320 PharmGKB
    Allopurinol(Zyloprim) Selleck
    184856-42-6 ACToR
    534646 eMolecules
    1971755 eMolecules
    32278112 eMolecules
    832881 eMolecules
    20025947 NMRShiftDB
    40279 ChEBI
    MCULE-5186178136 Mcule
    CB1181254 ChemicalBook
    50140241 BindingDB
    allopurinol DailyMed
    ZINC000013298313 ZINC
    4335 Brenda
    153379 Brenda
    194408 Brenda
    801 Brenda
    HMDB0014581 Human Metabolome Database
    The data in this table is sourced from UniChem at EBI.