Dataset

Felbinac; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01162702 contains the MS2 mass spectrum of Felbinac with the InChIkey QRZAKQDHEVVFRX-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H12O2/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16)
SMILES C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)O
InChI Key QRZAKQDHEVVFRX-UHFFFAOYSA-N
Molecular Formula C14H12O2
Exact Mass 212.084 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01162702
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MetadataPublished 2024-01-16
Related Molecule
  • 2-(4-phenylphenyl)acetic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB07477 drugbank
    CHEBI:31597 chebi
    BP4 rcsb_pdb
    CHEMBL413965 chembl
    26084 surechembl
    3332 pubchem
    94WNJ5U8L7 fdasrs
    BP4 - Ideal conformer pdbe
    PD000177 probes_and_drugs
    KUZWEI CCDC
    54683 brenda
    HMDB0246378 hmdb
    Molport-001-768-584 molport
    1141 drugcentral
    223312 bindingdb
    The data in this table is sourced from UniChem at EBI.