Dataset

Duloxetine; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU273505 contains the MS2 mass spectrum of Duloxetine with the InChIkey ZEUITGRIYCTCEM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3
SMILES CNCCC(OC1=C2C=CC=CC2=CC=C1)C1=CC=CS1
InChI Key ZEUITGRIYCTCEM-UHFFFAOYSA-N
Molecular Formula C18H19NOS
Exact Mass 297.119 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-Athens_Univ-AU273505
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MetadataPublished 2019-05-30
Related Molecule
  • N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:36796 chebi
    CHEMBL424660 chembl
    10036575 surechembl
    30197067 surechembl
    3803 surechembl
    122252 pubchem
    6P8D9LJ6SR fdasrs
    202 gtopdb
    PD075196 probes_and_drugs
    50136680 bindingdb
    The data in this table is sourced from UniChem at EBI.