Dataset

Bromfenac; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01076001 contains the MS2 mass spectrum of Bromfenac with the InChIkey ZBPLOVFIXSTCRZ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H12BrNO3/c16-11-6-4-9(5-7-11)15(20)12-3-1-2-10(14(12)17)8-13(18)19/h1-7H,8,17H2,(H,18,19)
SMILES C1=CC(=C(C(=C1)C(=O)C2=CC=C(C=C2)Br)N)CC(=O)O
InChI Key ZBPLOVFIXSTCRZ-UHFFFAOYSA-N
Molecular Formula C15H12BrNO3
Exact Mass 333.000 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-EQ01076001
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MetadataPublished 2024-06-14
Related Molecule
  • 2-[2-amino-3-(4-bromobenzoyl)phenyl]acetic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00963 drugbank
    CHEBI:240107 chebi
    27R rcsb_pdb
    CHEMBL1077 chembl
    34411 surechembl
    60726 pubchem
    864P0921DW fdasrs
    27R - Ideal conformer pdbe
    7131 gtopdb
    PD009615 probes_and_drugs
    HMDB0015098 hmdb
    Molport-000-883-091 molport
    401 drugcentral
    50248104 bindingdb
    The data in this table is sourced from UniChem at EBI.