Dataset

Phenylbutazone; LC-ESI-Q; MS; POS; 30 V

This MassBank record with Accession MSBNK-Waters-WA002519 contains the MS mass spectrum of Phenylbutazone with the InChIkey VYMDGNCVAMGZFE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3
SMILES CCCCC(C(=O)1)C(=O)N(c(c3)cccc3)N(c(c2)cccc2)1
InChI Key VYMDGNCVAMGZFE-UHFFFAOYSA-N
Molecular Formula C19H20N2O2
Exact Mass 308.152 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-WA002519
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 4-butyl-1,2-diphenylpyrazolidine-3,5-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00812 drugbank
    CHEBI:48574 chebi
    P1Z rcsb_pdb
    CHEMBL101 chembl
    3632 surechembl
    4781 pubchem
    GN5P7K3T8S fdasrs
    P1Z pdbe
    7270 gtopdb
    PD001804 probes_and_drugs
    BPYZDO CCDC
    4043 brenda
    HMDB0014950 hmdb
    Molport-001-783-564 molport
    2145 drugcentral
    The data in this table is sourced from UniChem at EBI.