Dataset

Drotaverine; LC-ESI-QFT; MS2; CE: 45%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01163903 contains the MS2 mass spectrum of Drotaverine with the InChIkey OMFNSKIUKYOYRG-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C24H31NO4/c1-5-26-21-10-9-17(14-22(21)27-6-2)13-20-19-16-24(29-8-4)23(28-7-3)15-18(19)11-12-25-20/h9-10,13-16,25H,5-8,11-12H2,1-4H3
SMILES CCOC1=C(C=C(C=C1)C=C2C3=CC(=C(C=C3CCN2)OCC)OCC)OCC
InChI Key OMFNSKIUKYOYRG-UHFFFAOYSA-N
Molecular Formula C24H31NO4
Exact Mass 397.225 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01163903
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MetadataPublished 2024-01-16
Related Molecule
  • 1-[(3,4-diethoxyphenyl)methylidene]-6,7-diethoxy-3,4-dihydro-2H-isoquinoline
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    196439 surechembl
    31158260 surechembl
    26394 pubchem
    PD066942 probes_and_drugs
    Molport-047-401-268 molport
    The data in this table is sourced from UniChem at EBI.