Dataset

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

This MassBank record with Accession MSBNK-Athens_Univ-AU236405 contains the MS2 mass spectrum of Climbazol with the InChIkey OWEGWHBOCFMBLP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H17ClN2O2/c1-15(2,3)13(19)14(18-9-8-17-10-18)20-12-6-4-11(16)5-7-12/h4-10,14H,1-3H3
SMILES CC(C)(C)C(=O)C(OC1=CC=C(Cl)C=C1)N1C=CN=C1
InChI Key OWEGWHBOCFMBLP-UHFFFAOYSA-N
Molecular Formula C15H17ClN2O2
Exact Mass 292.098 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-AU236405
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MetadataPublished 2019-05-30
Related Molecule
  • 1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB15580 drugbank
    CHEBI:83719 chebi
    CHEMBL1437764 chembl
    39729 surechembl
    37907 pubchem
    9N42CW7I54 fdasrs
    PD000725 probes_and_drugs
    Molport-003-930-899 molport
    5064 drugcentral
    181112 bindingdb
    The data in this table is sourced from UniChem at EBI.