Dataset

Miconazole; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU270602 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-AU270602
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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
    4189 PubChem
    70021955 NMRShiftDB
    PD009802 ProbesDrugs
    LSM-5165 LINCS
    SCHEMBL2866 SureChEMBL
    14806704 PubChem: Thomson Pharma
    82892 ChEBI
    PA450494 PharmGKB
    Miconazole-Monistat Selleck
    22916-47-8 ACToR
    902133 eMolecules
    miconazole DailyMed
    CB6493824 ChemicalBook
    127072 Brenda
    HMDB0015242 Human Metabolome Database
    DB01110 DrugBank
    CHEMBL91 ChEMBL
    2449 Guide to Pharmacology
    31772 BindingDB
    ORAVIG rxnorm
    MICONAZOLE NITRATE rxnorm
    MONISTAT rxnorm
    MICONAZOLE rxnorm
    MICONAZOLE clinicaltrials
    MONISTAT clinicaltrials
    MICONAZOLE NITRATE clinicaltrials
    HY-B0454 MedChemExpress
    7NNO0D7S5M FDA SRS
    MCULE-2106181573 Mcule
    DTXSID6023319 EPA CompTox Dashboard
    1800 DrugCentral
    J11.471E Nikkaji
    MICONAZOLE DailyMed
    VUSION rxnorm
    MICATIN rxnorm
    125890 Brenda
    1206 Brenda
    The data in this table is sourced from UniChem at EBI.