Dataset

Miconazole; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-WANA0592237762PH 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
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-WANA0592237762PH
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MetadataPublished 2023-08-13
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
    DTXSID6023319 comptox
    NCT00004575 clinicaltrials
    NCT00390780 clinicaltrials
    NCT01118910 clinicaltrials
    NCT01661556 clinicaltrials
    NCT01731574 clinicaltrials
    NCT01769339 clinicaltrials
    NCT02185456 clinicaltrials
    NCT02818803 clinicaltrials
    NCT03130738 clinicaltrials
    NCT04308161 clinicaltrials
    NCT04317183 clinicaltrials
    NCT04432376 clinicaltrials
    NCT05660382 clinicaltrials
    NCT05916729 clinicaltrials
    Molport-002-557-553 molport
    1800 drugcentral
    31772 bindingdb
    The data in this table is sourced from UniChem at EBI.