Dataset

Paroxetine; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF407903 contains the MS2 mass spectrum of Paroxetine with the InChIkey AHOUBRCZNHFOSL-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2
SMILES FC1=CC=C(C=C1)C1CCNCC1COC1=CC2=C(OCO2)C=C1
InChI Key AHOUBRCZNHFOSL-UHFFFAOYSA-N
Molecular Formula C19H20FNO3
Exact Mass 329.143 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-UFZ-UF407903
Version
Author
Maintainer
Language
MetadataPublished 2017-01-05
Related Molecule
  • 3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:94410 chebi
    CHEMBL169007 chembl
    114238 surechembl
    4691 pubchem
    4790 gtopdb
    PD002925 probes_and_drugs
    187241 bindingdb
    189324 bindingdb
    723360 bindingdb
    The data in this table is sourced from UniChem at EBI.