Dataset

Propiconazole; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00021204 contains the MS2 mass spectrum of Propiconazole with the InChIkey STJLVHWMYQXCPB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H17Cl2N3O2/c1-2-3-12-7-21-15(22-12,8-20-10-18-9-19-20)13-5-4-11(16)6-14(13)17/h4-6,9-10,12H,2-3,7-8H2,1H3
SMILES CCCC1COC(CN2C=NC=N2)(O1)C1=C(Cl)C=C(Cl)C=C1
InChI Key STJLVHWMYQXCPB-UHFFFAOYSA-N
Molecular Formula C15H17Cl2N3O2
Exact Mass 341.070 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00021204
Version
Author
Maintainer
Language
MetadataPublished 2024-06-14
Related Molecule
  • 1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    142KW8TBSR FDA SRS
    HY-B0847 MedChemExpress
    50295562 BindingDB
    HMDB0256825 Human Metabolome Database
    J18.426H Nikkaji
    DTXSID8024280 EPA CompTox Dashboard
    C11121 KEGG Ligand
    CHEMBL560579 ChEMBL
    8489 ChEBI
    510159 eMolecules
    43234 PubChem
    14778057 PubChem: Thomson Pharma
    SCHEMBL21081 SureChEMBL
    60207-90-1 ACToR
    PD080615 ProbesDrugs
    10759 Brenda
    CB0403173 ChemicalBook
    MCULE-6014167945 Mcule
    The data in this table is sourced from UniChem at EBI.