Dataset

Bromhexine; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU117302 contains the MS2 mass spectrum of Bromhexine with the InChIkey OJGDCBLYJGHCIH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H20Br2N2/c1-18(12-5-3-2-4-6-12)9-10-7-11(15)8-13(16)14(10)17/h7-8,12H,2-6,9,17H2,1H3
SMILES CN(Cc1cc(cc(c1N)Br)Br)C2CCCCC2
InChI Key OJGDCBLYJGHCIH-UHFFFAOYSA-N
Molecular Formula C14H20Br2N2
Exact Mass 373.999 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-Athens_Univ-AU117302
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MetadataPublished 2015-09-23
Related Molecule
  • 2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]aniline
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB09019 drugbank
    CHEBI:77032 chebi
    CHEMBL253376 chembl
    19059 surechembl
    29379593 surechembl
    2442 pubchem
    Q1J152VB1P fdasrs
    11218 gtopdb
    PD009404 probes_and_drugs
    EMAVOG CCDC
    237486 brenda
    237487 brenda
    Molport-000-887-467 molport
    402 drugcentral
    50239965 bindingdb
    The data in this table is sourced from UniChem at EBI.