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
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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
    94410 ChEBI
    86422 BindingDB
    J1.676.699B Nikkaji
    CHEMBL169007 ChEMBL
    SAM002548935 NIH Clinical Collection
    MCULE-3717318507 Mcule
    4691 PubChem
    1988374 eMolecules
    SCHEMBL114238 SureChEMBL
    14875167 PubChem: Thomson Pharma
    189380-72-1 ACToR
    PD002925 ProbesDrugs
    LSM-5101 LINCS
    The data in this table is sourced from UniChem at EBI.