Dataset

Miconazole; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU270604 contains the MS2 mass spectrum of Miconazole with the InChIkey BYBLEWFAAKGYCD-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2
SMILES ClC1=CC(Cl)=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1
InChI Key BYBLEWFAAKGYCD-UHFFFAOYSA-N
Molecular Formula C18H14Cl4N2O
Exact Mass 413.986 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-AU270604
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MetadataPublished 2019-05-30
Related Molecule
  • 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01110 drugbank
    CHEBI:82892 chebi
    CHEMBL91 chembl
    13934598 surechembl
    2866 surechembl
    4189 pubchem
    2449 gtopdb
    PD009802 probes_and_drugs
    1206 brenda
    125890 brenda
    127072 brenda
    7NNO0D7S5M fdasrs
    HMDB0015242 hmdb
    Molport-002-557-553 molport
    1800 drugcentral
    31772 bindingdb
    The data in this table is sourced from UniChem at EBI.