Dataset

Desmethylcitalopram; LC-ESI-Q; MS; POS; 75 V, 90 V

This MassBank record with Accession MSBNK-Waters-WA000979 contains the MS mass spectrum of Desmethylcitalopram with the InChIkey PTJADDMMFYXMMG-IBGZPJMESA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H19FN2O/c1-22-10-2-9-19(16-4-6-17(20)7-5-16)18-8-3-14(12-21)11-15(18)13-23-19/h3-8,11,22H,2,9-10,13H2,1H3/t19-/m0/s1
SMILES CNCCCC(O1)(c(c3)ccc(F)c3)c(c2)c(cc(C#N)c2)C1
InChI Key PTJADDMMFYXMMG-IBGZPJMESA-N
Molecular Formula C19H19FN2O
Exact Mass 310.148 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000979
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • (1S)-1-(4-fluorophenyl)-1-[3-(methylamino)propyl]-3H-2-benzofuran-5-carbonitrile
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    2859441 surechembl
    11255350 pubchem
    68457TFE9P fdasrs
    DTXSID001335276 comptox
    The data in this table is sourced from UniChem at EBI.