Dataset

Metoprolol; LC-ESI-Q; MS; POS; 15 V, 30 V

This MassBank record with Accession MSBNK-Waters-WA001247 contains the MS mass spectrum of Metoprolol with the InChIkey IUBSYMUCCVWXPE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3
SMILES COCCc(c1)ccc(OCC(O)CNC(C)C)c1
InChI Key IUBSYMUCCVWXPE-UHFFFAOYSA-N
Molecular Formula C15H25NO3
Exact Mass 267.183 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-WA001247
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00264 drugbank
    CHEBI:6904 chebi
    CHEMBL13 chembl
    4093 surechembl
    4171 pubchem
    GEB06NHM23 fdasrs
    553 gtopdb
    PD010136 probes_and_drugs
    114656 brenda
    151880 brenda
    HMDB0001932 hmdb
    Molport-005-938-039 molport
    1786 drugcentral
    25756 bindingdb
    The data in this table is sourced from UniChem at EBI.