Dataset

Dronedarone; LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EA285513 contains the MS2 mass spectrum of Dronedarone with the InChIkey ZQTNQVWKHCQYLQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C31H44N2O5S/c1-5-8-12-29-30(27-23-25(32-39(4,35)36)15-18-28(27)38-29)31(34)24-13-16-26(17-14-24)37-22-11-21-33(19-9-6-2)20-10-7-3/h13-18,23,32H,5-12,19-22H2,1-4H3
SMILES CS(=O)(=O)Nc1cc2c(c(oc2cc1)CCCC)C(c1ccc(cc1)OCCCN(CCCC)CCCC)=O
InChI Key ZQTNQVWKHCQYLQ-UHFFFAOYSA-N
Molecular Formula C31H44N2O5S
Exact Mass 556.297 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-Eawag-EA285513
Version
Author
Maintainer
Language
MetadataPublished 2014-01-14
Related Molecule
  • N-[2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]-1-benzofuran-5-yl]methanesulfonamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB04855 drugbank
    CHEBI:50659 chebi
    CHEMBL184412 chembl
    110363 surechembl
    29533002 surechembl
    208898 pubchem
    JQZ1L091Y2 fdasrs
    7465 gtopdb
    PD009359 probes_and_drugs
    HMDB0251621 hmdb
    Molport-006-170-000 molport
    4112 drugcentral
    50151864 bindingdb
    The data in this table is sourced from UniChem at EBI.