Dataset

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

This MassBank record with Accession MSBNK-UFZ-UF411803 contains the MS2 mass spectrum of Citalopram with the InChIkey WSEQXVZVJXJVFP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3
SMILES CN(C)CCCC1(OCC2=CC(=CC=C12)C#N)C1=CC=C(F)C=C1
InChI Key WSEQXVZVJXJVFP-UHFFFAOYSA-N
Molecular Formula C20H21FN2O
Exact Mass 324.164 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-UF411803
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MetadataPublished 2017-01-05
Related Molecule
  • 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00215 drugbank
    CHEBI:77397 chebi
    CHEMBL549 chembl
    29494157 surechembl
    946 surechembl
    2771 pubchem
    0DHU5B8D6V fdasrs
    4621 gtopdb
    7177 gtopdb
    7547 gtopdb
    PD000475 probes_and_drugs
    75639 brenda
    HMDB0005038 hmdb
    Molport-003-666-794 molport
    663 drugcentral
    25870 bindingdb
    The data in this table is sourced from UniChem at EBI.