Dataset

Propafenone; LC-ESI-Q; MS; POS; 15 V

This MassBank record with Accession MSBNK-Waters-WA000689 contains the MS mass spectrum of Propafenone with the InChIkey JWHAUXFOSRPERK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3
SMILES CCCNCC(O)COc(c2)c(ccc2)C(=O)CCc(c1)cccc1
InChI Key JWHAUXFOSRPERK-UHFFFAOYSA-N
Molecular Formula C21H27NO3
Exact Mass 341.199 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-WA000689
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01182 drugbank
    CHEBI:63619 chebi
    CHEMBL631 chembl
    16730120 surechembl
    27865 surechembl
    4932 pubchem
    68IQX3T69U fdasrs
    2561 gtopdb
    PD002872 probes_and_drugs
    122954 brenda
    229818 brenda
    229819 brenda
    HMDB0015313 hmdb
    DTXSID9045184 comptox
    NCT00000464 clinicaltrials
    NCT00000556 clinicaltrials
    NCT00392106 clinicaltrials
    NCT00523978 clinicaltrials
    NCT00540787 clinicaltrials
    NCT00589303 clinicaltrials
    NCT01477983 clinicaltrials
    NCT01477983 clinicaltrials
    NCT01505296 clinicaltrials
    NCT01709682 clinicaltrials
    NCT01780311 clinicaltrials
    NCT01956487 clinicaltrials
    NCT02145546 clinicaltrials
    NCT02389218 clinicaltrials
    NCT02710669 clinicaltrials
    NCT03029169 clinicaltrials
    NCT03895411 clinicaltrials
    NCT03915340 clinicaltrials
    NCT05720572 clinicaltrials
    Molport-002-545-323 molport
    2291 drugcentral
    50067133 bindingdb
    The data in this table is sourced from UniChem at EBI.