Dataset

Bromuconazole; LC-ESI-QFT; MS2; CE: 75%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00370005 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 ClC1=CC(Cl)=C(C=C1)C1(CN2C=NC=N2)CC(Br)CO1
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-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00370005
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MetadataPublished 2024-06-14
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
    116255-48-2 ACToR
    14829142 PubChem: Thomson Pharma
    SCHEMBL22340 SureChEMBL
    510863 eMolecules
    PHS29ZMZ81 FDA SRS
    DTXSID9032531 EPA CompTox Dashboard
    21165 BindingDB
    81900 ChEBI
    J705.362B Nikkaji
    3444 PubChem
    CHEMBL271579 ChEMBL
    C18704 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.