Dataset

Propranolol; LC-ESI-QFT; MS2; CE: 50%; R=35000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UA006101 contains the MS2 mass spectrum of Propranolol with the InChIkey AQHHHDLHHXJYJD-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
SMILES CC(C)NCC(COc1cccc2c1cccc2)O
InChI Key AQHHHDLHHXJYJD-UHFFFAOYSA-N
Molecular Formula C16H21NO2
Exact Mass 259.157 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-UFZ-UA006101
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Maintainer
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MetadataPublished 2017-08-17
Related Molecule
  • 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00571 drugbank
    CHEBI:8499 chebi
    CHEMBL27 chembl
    12264958 surechembl
    3955 surechembl
    4946 pubchem
    9Y8NXQ24VQ fdasrs
    564 gtopdb
    63 gtopdb
    7596 gtopdb
    PD009912 probes_and_drugs
    3905 brenda
    45500 brenda
    5606 brenda
    66047 brenda
    HMDB0001849 hmdb
    Molport-001-794-623 molport
    2303 drugcentral
    25761 bindingdb
    The data in this table is sourced from UniChem at EBI.