Dataset

Clozapine; LC-ESI-Q; MS; POS; 75 V

This MassBank record with Accession MSBNK-Waters-WA001135 contains the MS mass spectrum of Clozapine with the InChIkey QZUDBNBUXVUHMW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
SMILES CN(C4)CCN(C4)C(=N1)c(c3)c(ccc3)Nc(c2)c(cc(Cl)c2)1
InChI Key QZUDBNBUXVUHMW-UHFFFAOYSA-N
Molecular Formula C18H19ClN4
Exact Mass 326.130 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-WA001135
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 3-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00363 drugbank
    CHEBI:3766 chebi
    VBU rcsb_pdb
    CHEMBL42 chembl
    29360001 surechembl
    29433929 surechembl
    29590817 surechembl
    8397 surechembl
    135398737 pubchem
    J60AR2IKIC fdasrs
    VBU pdbe
    38 gtopdb
    PD001633 probes_and_drugs
    NDNHCL CCDC
    4685 brenda
    HMDB0014507 hmdb
    Molport-001-728-041 molport
    722 drugcentral
    50001884 bindingdb
    The data in this table is sourced from UniChem at EBI.