Dataset

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

This MassBank record with Accession MSBNK-Athens_Univ-AU267702 contains the MS2 mass spectrum of Bisoprolol with the InChIkey VHYCDWMUTMEGQY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3
SMILES CC(C)NCC(O)COC1=CC=C(COCCOC(C)C)C=C1
InChI Key VHYCDWMUTMEGQY-UHFFFAOYSA-N
Molecular Formula C18H31NO4
Exact Mass 325.225 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-Athens_Univ-AU267702
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MetadataPublished 2019-05-30
Related Molecule
  • 1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00612 drugbank
    CHEBI:3127 chebi
    CHEMBL645 chembl
    20960 surechembl
    2405 pubchem
    7129 gtopdb
    PD009891 probes_and_drugs
    132707 brenda
    Y41JS2NL6U fdasrs
    HMDB0014750 hmdb
    Molport-005-937-320 molport
    380 drugcentral
    25751 bindingdb
    The data in this table is sourced from UniChem at EBI.