Dataset

Clozapine N-oxide; LC-ESI-Q; MS; POS; 30 V

This MassBank record with Accession MSBNK-Waters-WA001132 contains the MS mass spectrum of Clozapine N-oxide with the InChIkey OGUCZBIQSYYWEF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H19ClN4O/c1-23(24)10-8-22(9-11-23)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 Clc(c4)cc(N=1)c(c4)Nc(c3)c(ccc3)C1N(C2)CC[N+1](C)([O-1])C2
InChI Key OGUCZBIQSYYWEF-UHFFFAOYSA-N
Molecular Formula C18H19ClN4O
Exact Mass 342.125 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-WA001132
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 3-chloro-6-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-11H-benzo[b][1,4]benzodiazepine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    15001566 PubChem: Thomson Pharma
    WE9 PDBe
    PD012370 ProbesDrugs
    535678 eMolecules
    ZINC000022055066 ZINC
    HMDB0060900 Human Metabolome Database
    SCHEMBL9014028 SureChEMBL
    MZA8BK588J FDA SRS
    CIPMEW CCDC
    J576.703B Nikkaji
    169893 ChEBI
    50279241 BindingDB
    HY-17366 MedChemExpress
    CB4759216 ChemicalBook
    135445691 PubChem
    CHEMBL1688 ChEMBL
    The data in this table is sourced from UniChem at EBI.