Dataset

Fluoxetine; LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EA033402 contains the MS2 mass spectrum of Fluoxetine with the InChIkey RTHCYVBBDHJXIQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
SMILES CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F
InChI Key RTHCYVBBDHJXIQ-UHFFFAOYSA-N
Molecular Formula C17H18F3NO
Exact Mass 309.134 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-EA033402
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MetadataPublished 2014-01-14
Related Molecule
  • N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00472 drugbank
    CHEBI:86990 chebi
    CHEMBL41 chembl
    8353 surechembl
    3386 pubchem
    01K63SUP8D fdasrs
    203 gtopdb
    PD010007 probes_and_drugs
    145052 brenda
    145965 brenda
    4645 brenda
    HMDB0014615 hmdb
    Molport-001-683-482 molport
    1209 drugcentral
    30130 bindingdb
    The data in this table is sourced from UniChem at EBI.