Dataset

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

This MassBank record with Accession MSBNK-Eawag-EQ00002451 contains the MS2 mass spectrum of Bromoxynil with the InChIkey UPMXNNIRAGDFEH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H3Br2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H
SMILES OC1=C(Br)C=C(C=C1Br)C#N
InChI Key UPMXNNIRAGDFEH-UHFFFAOYSA-N
Molecular Formula C7H3Br2NO
Exact Mass 274.858 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-EQ00002451
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MetadataPublished 2024-06-14
Related Molecule
  • 3,5-dibromo-4-hydroxybenzonitrile
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:17192 chebi
    A1L36 rcsb_pdb
    CHEMBL453905 chembl
    19210 surechembl
    15531 pubchem
    J46EK95K0P fdasrs
    PD217572 probes_and_drugs
    BAJYIU CCDC
    176591 brenda
    198503 brenda
    32163 brenda
    9031 brenda
    A1L36 - Ideal conformer pdbe
    The data in this table is sourced from UniChem at EBI.