Dataset

Norclozapine; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU156305 contains the MS2 mass spectrum of Norclozapine with the InChIkey JNNOSTQEZICQQP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2
SMILES C1CN(CCN1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42
InChI Key JNNOSTQEZICQQP-UHFFFAOYSA-N
Molecular Formula C17H17ClN4
Exact Mass 312.114 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU156305
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MetadataPublished 2015-12-07
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    HY-G0021 MedChemExpress
    DTXSID0042616 EPA CompTox Dashboard
    LSM-2206 LINCS
    50122054 BindingDB
    J446.142H Nikkaji
    135409468 PubChem
    CB8196019 ChemicalBook
    CHEMBL845 ChEMBL
    80133 Brenda
    ZINC000003995781 ZINC
    HMDB0060536 Human Metabolome Database
    MTBLC64050 Metabolights
    1I9001LWY8 FDA SRS
    SCHEMBL781423 SureChEMBL
    PD021872 ProbesDrugs
    DB05766 DrugBank
    64050 ChEBI
    6104-71-8 ACToR
    14776686 PubChem: Thomson Pharma
    537374 eMolecules
    The data in this table is sourced from UniChem at EBI.