Dataset

Olanzapine; LC-ESI-QTOF; MS2; HILIC; CE: 20 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU151708 contains the MS2 mass spectrum of Olanzapine with the InChIkey KVWDHTXUZHCGIO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
SMILES Cc1cc2c(s1)Nc3ccccc3N=C2N4CCN(CC4)C
InChI Key KVWDHTXUZHCGIO-UHFFFAOYSA-N
Molecular Formula C17H20N4S
Exact Mass 312.141 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-Athens_Univ-AU151708
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MetadataPublished 2016-02-25
Related Molecule
  • 2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00334 drugbank
    CHEBI:7735 chebi
    CHEMBL715 chembl
    28763 surechembl
    29358280 surechembl
    135398745 pubchem
    N7U69T4SZR fdasrs
    PD000646 probes_and_drugs
    UNOGIN CCDC
    7606 brenda
    HMDB0005012 hmdb
    Molport-002-885-845 molport
    1982 drugcentral
    35254 bindingdb
    The data in this table is sourced from UniChem at EBI.