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
Version
Author
Maintainer
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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
    C07443 KEGG Ligand
    CHEMBL16 ChEMBL
    2624 Guide to Pharmacology
    PHENYTOIN DailyMed
    50003655 BindingDB
    PHENYTOIN SODIUM rxnorm
    PHENYTOIN rxnorm
    DILANTIN rxnorm
    146015336 PubChem
    EPAMIN clinicaltrials
    PHENYTOIN clinicaltrials
    PHENYTOIN SODIUM clinicaltrials
    PHENYTEK clinicaltrials
    DILANTIN clinicaltrials
    HY-B0448 MedChemExpress
    10642 Brenda
    50101816 BindingDB
    2152 DrugCentral
    J2.325F Nikkaji
    PHYDAN CCDC
    PHENYTEK rxnorm
    DTXSID8020541 EPA CompTox Dashboard
    1775 PubChem
    PD002756 ProbesDrugs
    256547 Brenda
    phenytoin Atlas
    6158TKW0C5 FDA SRS
    LSM-5663 LINCS
    14847761 PubChem: Thomson Pharma
    57-41-0 ACToR
    SCHEMBL3440 SureChEMBL
    PA450947 PharmGKB
    Phenytoin-Lepitoin Selleck
    125-59-7 ACToR
    507449 eMolecules
    13434342 eMolecules
    5420227 eMolecules
    103877 Brenda
    108876 Brenda
    49993 Brenda
    ZINC000002510358 ZINC
    CB3139264 ChemicalBook
    phenytoin DailyMed
    HMDB0014397 Human Metabolome Database
    43502 Brenda
    MCULE-2376673346 Mcule
    8107 ChEBI
    10021980 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.