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
    CHEMBL631 ChEMBL
    SAM002564228 NIH Clinical Collection
    C07381 KEGG Ligand
    DB01182 DrugBank
    229818 Brenda
    50067133 BindingDB
    PROPAFENONE DailyMed
    PROPAFENONE HYDROCHLORIDE rxnorm
    RYTHMOL rxnorm
    PROPAFENONE rxnorm
    RYTHMOL clinicaltrials
    RYTHMOL SR clinicaltrials
    PROPAFENONE HYDROCHLORIDE clinicaltrials
    PROPAFENON HEXAL clinicaltrials
    PROPAFENONE clinicaltrials
    68IQX3T69U FDA SRS
    SCHEMBL16730120 SureChEMBL
    DTXSID9045184 EPA CompTox Dashboard
    2291 DrugCentral
    229819 Brenda
    2561 Guide to Pharmacology
    J12.333A Nikkaji
    14900354 PubChem: Thomson Pharma
    4932 PubChem
    PD002872 ProbesDrugs
    63619 ChEBI
    Propafenone(Rytmonorm) Selleck
    SCHEMBL27865 SureChEMBL
    107300-59-4 ACToR
    54063-53-5 ACToR
    LSM-1416 LINCS
    593585 eMolecules
    CB2854418 ChemicalBook
    propafenone DailyMed
    122954 Brenda
    HMDB0015313 Human Metabolome Database
    PA451131 PharmGKB
    CB2183169 ChemicalBook
    MCULE-8776872379 Mcule
    The data in this table is sourced from UniChem at EBI.