Dataset

Clotrimazole; LC-ESI-QTOF; MS2; CE: Ramp 22.5-33.8 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU268906 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-AU268906
Version
Author
Maintainer
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MetadataPublished 2019-05-30
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    Measurement Technique liquid chromatography-mass spectrometry
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    CHEBI:3764 chebi
    CL6 rcsb_pdb
    CHEMBL104 chembl
    29358270 surechembl
    3850 surechembl
    2812 pubchem
    G07GZ97H65 fdasrs
    CL6 pdbe
    2330 gtopdb
    PD002411 probes_and_drugs
    PUVRIH CCDC
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    48919 brenda
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    HMDB0001922 hmdb
    DTXSID7029871 comptox
    NCT00000676 clinicaltrials
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    NCT02907307 clinicaltrials
    NCT03005353 clinicaltrials
    NCT03024502 clinicaltrials
    NCT03115073 clinicaltrials
    NCT03632733 clinicaltrials
    NCT03686384 clinicaltrials
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    NCT04699240 clinicaltrials
    Molport-002-557-756 molport
    719 drugcentral
    31774 bindingdb
    The data in this table is sourced from UniChem at EBI.