Dataset

Clozapine; LC-ESI-QTOF; MS2; 90 V

This MassBank record with Accession MSBNK-BAFG-CSL23111018902 contains the MS2 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 CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42
InChI Key QZUDBNBUXVUHMW-UHFFFAOYSA-N
Molecular Formula C18H19ClN4
Exact Mass 326.130 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111018902
Version
Author
Maintainer
Language
MetadataPublished 2023-11-10
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
    DTXSID5022855 comptox
    NCT00000372 clinicaltrials
    NCT00001656 clinicaltrials
    NCT00014001 clinicaltrials
    NCT00029458 clinicaltrials
    NCT00031317 clinicaltrials
    NCT00036582 clinicaltrials
    NCT00042224 clinicaltrials
    NCT00048828 clinicaltrials
    NCT00065273 clinicaltrials
    NCT00154258 clinicaltrials
    NCT00169026 clinicaltrials
    NCT00169039 clinicaltrials
    NCT00169065 clinicaltrials
    NCT00169091 clinicaltrials
    NCT00189995 clinicaltrials
    NCT00216281 clinicaltrials
    NCT00250575 clinicaltrials
    NCT00498550 clinicaltrials
    NCT00501618 clinicaltrials
    NCT00649844 clinicaltrials
    NCT00654576 clinicaltrials
    NCT00981526 clinicaltrials
    NCT01248195 clinicaltrials
    NCT01279213 clinicaltrials
    NCT01401491 clinicaltrials
    NCT01639872 clinicaltrials
    NCT01654601 clinicaltrials
    NCT01663077 clinicaltrials
    NCT02286206 clinicaltrials
    NCT02374567 clinicaltrials
    NCT02562287 clinicaltrials
    NCT02625103 clinicaltrials
    NCT02639702 clinicaltrials
    NCT02640300 clinicaltrials
    NCT02751307 clinicaltrials
    NCT03652974 clinicaltrials
    NCT03652974 clinicaltrials
    NCT03652974 clinicaltrials
    NCT03772951 clinicaltrials
    NCT03807882 clinicaltrials
    NCT03857581 clinicaltrials
    NCT04528095 clinicaltrials
    NCT04529226 clinicaltrials
    NCT04580134 clinicaltrials
    NCT04849026 clinicaltrials
    NCT05208190 clinicaltrials
    NCT05316883 clinicaltrials
    NCT05603104 clinicaltrials
    NCT05741502 clinicaltrials
    NCT05958875 clinicaltrials
    Molport-001-728-041 molport
    722 drugcentral
    50001884 bindingdb
    The data in this table is sourced from UniChem at EBI.