Dataset

Clomipramine; LC-ESI-Q; MS; POS; 60 V

This MassBank record with Accession MSBNK-Waters-WA000982 contains the MS mass spectrum of Clomipramine with the InChIkey GDLIGKIOYRNHDA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3
SMILES CN(C)CCCN(c21)c(c3)c(ccc(Cl)3)CCc(cccc2)1
InChI Key GDLIGKIOYRNHDA-UHFFFAOYSA-N
Molecular Formula C19H23ClN2
Exact Mass 314.155 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-WA000982
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01242 drugbank
    CXX rcsb_pdb
    CHEMBL415 chembl
    29432499 surechembl
    29774103 surechembl
    31189077 surechembl
    35423 surechembl
    2801 pubchem
    NUV44L116D fdasrs
    2398 gtopdb
    PD009943 probes_and_drugs
    24402 brenda
    4115 brenda
    48203 brenda
    75632 brenda
    HMDB0015372 hmdb
    Molport-002-051-949 molport
    701 drugcentral
    77970 bindingdb
    The data in this table is sourced from UniChem at EBI.