Dataset

Bromuconazole; LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ370005 contains the MS2 mass spectrum of Bromuconazole with the InChIkey HJJVPARKXDDIQD-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2
SMILES C1C(COC1(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl)Br
InChI Key HJJVPARKXDDIQD-UHFFFAOYSA-N
Molecular Formula C13H12BrCl2N3O
Exact Mass 374.954 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ370005
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MetadataPublished 2015-08-25
Related Molecule
  • 1-[[4-bromo-2-(2,4-dichlorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:81900 chebi
    CHEMBL271579 chembl
    22340 surechembl
    29360340 surechembl
    3444 pubchem
    PHS29ZMZ81 fdasrs
    Molport-047-919-265 molport
    21165 bindingdb
    The data in this table is sourced from UniChem at EBI.