Dataset

Tetraconazole; LC-ESI-QTOF; MS2; 100 V

This MassBank record with Accession MSBNK-BAFG-CSL23111017309 contains the MS2 mass spectrum of Tetraconazole with the InChIkey LQDARGUHUSPFNL-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H11Cl2F4N3O/c14-9-1-2-10(11(15)3-9)8(4-22-7-20-6-21-22)5-23-13(18,19)12(16)17/h1-3,6-8,12H,4-5H2
SMILES C1=CC(=C(C=C1Cl)Cl)C(CN2C=NC=N2)COC(C(F)F)(F)F
InChI Key LQDARGUHUSPFNL-UHFFFAOYSA-N
Molecular Formula C13H11Cl2F4N3O
Exact Mass 371.022 g/mol

Data and Resources

Metadata Information

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DOI
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Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111017309
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MetadataPublished 2023-11-10
Related Molecule
  • 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,4-triazole
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    C18490 KEGG Ligand
    HMDB0258876 Human Metabolome Database
    83999 ChEBI
    8FGY868T0G FDA SRS
    CB9325788 ChemicalBook
    DTXSID8034956 EPA CompTox Dashboard
    80277 PubChem
    CHEMBL2137654 ChEMBL
    16815322 PubChem: Thomson Pharma
    112281-77-3 ACToR
    SCHEMBL36997 SureChEMBL
    The data in this table is sourced from UniChem at EBI.