Dataset

Phenindione; LC-ESI-Q; MS; POS; 45 V

This MassBank record with Accession MSBNK-Waters-WA000343 contains the MS mass spectrum of Phenindione with the InChIkey NFBAXHOPROOJAW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H10O2/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9,13H
SMILES c(c3)ccc(c3)C(C(=O)1)C(=O)c(c2)c(ccc2)1
InChI Key NFBAXHOPROOJAW-UHFFFAOYSA-N
Molecular Formula C15H10O2
Exact Mass 222.068 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-WA000343
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 2-phenylindene-1,3-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00498 drugbank
    CHEBI:8066 chebi
    UAS rcsb_pdb
    CHEMBL711 chembl
    29388073 surechembl
    33831 surechembl
    4760 pubchem
    5M7Y6274ZE fdasrs
    UAS pdbe
    6838 gtopdb
    PD001807 probes_and_drugs
    PINDON CCDC
    94711 brenda
    HMDB0014641 hmdb
    DTXSID5023453 comptox
    NCT01758640 clinicaltrials
    NCT03153150 clinicaltrials
    Molport-001-783-429 molport
    2130 drugcentral
    50280157 bindingdb
    The data in this table is sourced from UniChem at EBI.