Dataset

Citalopram; LC-ESI-Q; MS; POS; 15 V

This MassBank record with Accession MSBNK-Waters-WA000975 contains the MS mass spectrum of Citalopram with the InChIkey WSEQXVZVJXJVFP-FQEVSTJZSA-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/t20-/m0/s1
SMILES CN(C)CCCC(O1)(c(c3)ccc(F)c3)c(c2)c(cc(C#N)c2)C1
InChI Key WSEQXVZVJXJVFP-FQEVSTJZSA-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-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000975
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01175 drugbank
    CHEBI:36791 chebi
    68P rcsb_pdb
    CHEMBL1508 chembl
    29358316 surechembl
    34948 surechembl
    146570 pubchem
    4O4S742ANY fdasrs
    68P pdbe
    PD009760 probes_and_drugs
    145048 brenda
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    167770 brenda
    18641 brenda
    HMDB0005028 hmdb
    DTXSID8048440 comptox
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    The data in this table is sourced from UniChem at EBI.