Dataset

Betaxolol; LC-ESI-Q; MS; POS; 60 V

This MassBank record with Accession MSBNK-Waters-WA001969 contains the MS mass spectrum of Betaxolol with the InChIkey NWIUTZDMDHAVTP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3
SMILES CC(C)NCC(O)COc(c1)ccc(CCOCC(C2)C2)c1
InChI Key NWIUTZDMDHAVTP-UHFFFAOYSA-N
Molecular Formula C18H29NO3
Exact Mass 307.215 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001969
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00195 drugbank
    CHEBI:3082 chebi
    CHEMBL423 chembl
    23530 surechembl
    2369 pubchem
    O0ZR1R6RZ2 fdasrs
    549 gtopdb
    8035 gtopdb
    PD010175 probes_and_drugs
    ROKNUB CCDC
    HMDB0014341 hmdb
    50028866 bindingdb
    50028867 bindingdb
    50028986 bindingdb
    50028989 bindingdb
    50029896 bindingdb
    50609462 bindingdb
    50753614 bindingdb
    Molport-003-845-027 molport
    356 drugcentral
    The data in this table is sourced from UniChem at EBI.