Dataset

4-Hydroxypropranolol; LC-ESI-Q; MS; POS; 15 V

This MassBank record with Accession MSBNK-Waters-WA002921 contains the MS mass spectrum of 4-Hydroxypropranolol with the InChIkey CWEPACWBWIOYID-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H21NO3/c1-11(2)17-9-12(18)10-20-16-8-7-15(19)13-5-3-4-6-14(13)16/h3-8,11-12,17-19H,9-10H2,1-2H3
SMILES CC(C)NCC(O)COc(c1)c(c2)c(ccc2)c(O)c1
InChI Key CWEPACWBWIOYID-UHFFFAOYSA-N
Molecular Formula C16H21NO3
Exact Mass 275.152 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-WA002921
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalen-1-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:168939 chebi
    CHEMBL1137 chembl
    28716845 surechembl
    91565 pubchem
    2449QP4SVP fdasrs
    PD044965 probes_and_drugs
    HMDB0060989 hmdb
    50029367 bindingdb
    50988250 bindingdb
    The data in this table is sourced from UniChem at EBI.