Dataset

Ambroxol; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+

This MassBank record with Accession MSBNK-CASMI_2016-SM849201 contains the MS2 mass spectrum of Ambroxol with the InChIkey JBDGDEWWOUBZPM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H18Br2N2O/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10/h5-6,10-11,17-18H,1-4,7,16H2
SMILES NC1=C(Br)C=C(Br)C=C1CNC1CCC(O)CC1
InChI Key JBDGDEWWOUBZPM-UHFFFAOYSA-N
Molecular Formula C13H18Br2N2O
Exact Mass 375.979 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-CASMI_2016-SM849201
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MetadataPublished 2016-12-12
Related Molecule
  • 4-[(2-amino-3,5-dibromophenyl)methylamino]cyclohexan-1-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:92994 chebi
    CHEMBL1477775 chembl
    423712 surechembl
    7855003 surechembl
    2132 pubchem
    10692 gtopdb
    PD055529 probes_and_drugs
    Molport-005-932-705 molport
    The data in this table is sourced from UniChem at EBI.