Dataset

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

This MassBank record with Accession MSBNK-Waters-WA001314 contains the MS mass spectrum of Chlorpromazin with the InChIkey ZPEIMTDSQAKGNT-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
SMILES CN(C)CCCN(c21)c(c3)c(ccc(Cl)3)Sc(cccc2)1
InChI Key ZPEIMTDSQAKGNT-UHFFFAOYSA-N
Molecular Formula C17H19ClN2S
Exact Mass 318.096 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-WA001314
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00477 drugbank
    CHEBI:3647 chebi
    Z80 rcsb_pdb
    CHEMBL71 chembl
    29358018 surechembl
    29367385 surechembl
    8321 surechembl
    2726 pubchem
    U42B7VYA4P fdasrs
    83 gtopdb
    PD010004 probes_and_drugs
    CPROMZ CCDC
    113197 brenda
    145046 brenda
    145960 brenda
    162818 brenda
    229267 brenda
    229268 brenda
    6497 brenda
    727 brenda
    74854 brenda
    75626 brenda
    HMDB0014620 hmdb
    Molport-001-727-953 molport
    621 drugcentral
    50001888 bindingdb
    The data in this table is sourced from UniChem at EBI.