Dataset

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

This MassBank record with Accession MSBNK-Athens_Univ-AU268905 contains the MS2 mass spectrum of Clotrimazole with the InChIkey VNFPBHJOKIVQEB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
SMILES ClC1=CC=CC=C1C(N1C=CN=C1)(C1=CC=CC=C1)C1=CC=CC=C1
InChI Key VNFPBHJOKIVQEB-UHFFFAOYSA-N
Molecular Formula C22H17ClN2
Exact Mass 344.108 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-AU268905
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MetadataPublished 2019-05-30
Related Molecule
  • 1-[(2-chlorophenyl)-diphenylmethyl]imidazole
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00257 drugbank
    CHEBI:3764 chebi
    CL6 rcsb_pdb
    CHEMBL104 chembl
    29358270 surechembl
    3850 surechembl
    2812 pubchem
    G07GZ97H65 fdasrs
    2330 gtopdb
    PD002411 probes_and_drugs
    PUVRIH CCDC
    1496 brenda
    48919 brenda
    48920 brenda
    HMDB0001922 hmdb
    Molport-002-557-756 molport
    719 drugcentral
    31774 bindingdb
    The data in this table is sourced from UniChem at EBI.