Dataset

N-Desmethylclomipramine; LC-ESI-Q; MS; POS; 90 V

This MassBank record with Accession MSBNK-Waters-WA000990 contains the MS mass spectrum of N-Desmethylclomipramine with the InChIkey VPIXQGUBUKFLRF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H21ClN2/c1-20-11-4-12-21-17-6-3-2-5-14(17)7-8-15-9-10-16(19)13-18(15)21/h2-3,5-6,9-10,13,20H,4,7-8,11-12H2,1H3
SMILES CNCCCN(c21)c(c3)c(ccc(Cl)3)CCc(cccc2)1
InChI Key VPIXQGUBUKFLRF-UHFFFAOYSA-N
Molecular Formula C18H21ClN2
Exact Mass 300.139 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-WA000990
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:124969 chebi
    A1ITH rcsb_pdb
    11384662 surechembl
    29460460 surechembl
    29485933 surechembl
    622606 pubchem
    01DN47PPQG fdasrs
    PD060813 probes_and_drugs
    A1ITH pdbe
    HMDB0060947 hmdb
    DTXSID70952663 comptox
    The data in this table is sourced from UniChem at EBI.