Dataset

Imazalil (Enilconazole); ESI-QTOF; MS2; CE: 40; [M+H]+

This MassBank record with Accession MSBNK-AGILENT-AG000002 contains the MS2 mass spectrum of Imazalil (Enilconazole) with the InChIkey PZBPKYOVPCNPJY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2
SMILES C=CCOC(CN1C=NC=C1)C1C=CC(Cl)=CC=1Cl
InChI Key PZBPKYOVPCNPJY-UHFFFAOYSA-N
Molecular Formula C14H14Cl2N2O
Exact Mass 296.048 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-AGILENT-AG000002
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MetadataPublished 2023-02-17
Related Molecule
  • 1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    37175 PubChem
    PD013183 ProbesDrugs
    LSM-4333 LINCS
    15097231 PubChem: Thomson Pharma
    SCHEMBL22498 SureChEMBL
    35554-44-0 ACToR
    2729261 eMolecules
    16936 Brenda
    HMDB0031794 Human Metabolome Database
    20209830 NMRShiftDB
    MCULE-1892353746 Mcule
    ENILCONAZOLE rxnorm
    HY-B1134 MedChemExpress
    J21.235K Nikkaji
    6K0NOF3XQ6 FDA SRS
    DTXSID8024151 EPA CompTox Dashboard
    3177 DrugCentral
    83829 ChEBI
    CB4251497 ChemicalBook
    50051843 BindingDB
    C18739 KEGG Ligand
    CHEMBL356918 ChEMBL
    12013787 PubChem: Drugs of the Future
    The data in this table is sourced from UniChem at EBI.