Dataset

Phenytoin; LC-ESI-Q; MS; POS; 60 V

This MassBank record with Accession MSBNK-Waters-WA001885 contains the MS mass spectrum of Phenytoin with the InChIkey CXOFVDLJLONNDW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)
SMILES O=C(N3)NC(C(=O)3)(c(c2)cccc2)c(c1)cccc1
InChI Key CXOFVDLJLONNDW-UHFFFAOYSA-N
Molecular Formula C15H12N2O2
Exact Mass 252.090 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-WA001885
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MetadataPublished 2016-01-19
Related Molecule
  • 5,5-diphenylimidazolidine-2,4-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00252 drugbank
    CHEMBL16 chembl
    3440 surechembl
    146015336 pubchem
    1775 pubchem
    6158TKW0C5 fdasrs
    2624 gtopdb
    PD002756 probes_and_drugs
    PHYDAN CCDC
    103877 brenda
    10642 brenda
    108876 brenda
    256547 brenda
    43502 brenda
    49993 brenda
    CHEBI:8107 chebi
    HMDB0014397 hmdb
    Molport-001-785-683 molport
    Molport-002-365-712 molport
    2152 drugcentral
    50003655 bindingdb
    50101816 bindingdb
    The data in this table is sourced from UniChem at EBI.