Dataset

Bromoxynil; LC-ESI-QQ; MS2; CE:10 V; [M-H]-

This MassBank record with Accession MSBNK-Waters-WA000249 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 N#Cc(c1)cc(Br)c(O)c(Br)1
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-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000249
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 3,5-dibromo-4-hydroxybenzonitrile
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-5251221789 Mcule
    DTXSID3022162 EPA CompTox Dashboard
    BAJYIU CCDC
    J7.557D Nikkaji
    ZINC000000334873 ZINC
    C04178 KEGG Ligand
    CHEMBL453905 ChEMBL
    17192 ChEBI
    20044529 NMRShiftDB
    SCHEMBL19210 SureChEMBL
    32163 Brenda
    9031 Brenda
    CB3351156 ChemicalBook
    15531 PubChem
    14872870 PubChem: Thomson Pharma
    1689-84-5 ACToR
    J46EK95K0P FDA SRS
    489993 eMolecules
    The data in this table is sourced from UniChem at EBI.