Dataset

Clozapine; LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EA284112 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 C1(=Nc2c(Nc3c1cccc3)ccc(c2)Cl)N1CCN(CC1)C
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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EA284112
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MetadataPublished 2014-01-14
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
    CHEMBL42 ChEMBL
    DB00363 DrugBank
    3766 ChEBI
    C06924 KEGG Ligand
    SAM002548976 NIH Clinical Collection
    12013419 PubChem: Drugs of the Future
    CLOZAPINE DailyMed
    VERSACLOZ rxnorm
    CLOZAPINE rxnorm
    CLOZARIL rxnorm
    FAZACLO rxnorm
    FAZACLO clinicaltrials
    LEPONEX clinicaltrials
    CLOZAPINE clinicaltrials
    CLOZARIL clinicaltrials
    HY-14539 MedChemExpress
    DTXSID5022855 EPA CompTox Dashboard
    LSM-2823 LINCS
    722 DrugCentral
    J8.061F Nikkaji
    VBU PDBe
    NDNHCL CCDC
    50001884 BindingDB
    135398737 PubChem
    38 Guide to Pharmacology
    PD001633 ProbesDrugs
    clozapine Atlas
    J60AR2IKIC FDA SRS
    14826474 PubChem: Thomson Pharma
    Clozapine(Clozaril) Selleck
    5786-21-0 ACToR
    536309 eMolecules
    20061832 NMRShiftDB
    SCHEMBL8397 SureChEMBL
    ZINC000019796155 ZINC
    CB7776111 ChemicalBook
    clozapine DailyMed
    4685 Brenda
    HMDB0014507 Human Metabolome Database
    The data in this table is sourced from UniChem at EBI.