Dataset

Flusilazole; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF401104 contains the MS2 mass spectrum of Flusilazole with the InChIkey FQKUGOMFVDPBIZ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H15F2N3Si/c1-22(12-21-11-19-10-20-21,15-6-2-13(17)3-7-15)16-8-4-14(18)5-9-16/h2-11H,12H2,1H3
SMILES C[Si](CN1C=NC=N1)(C1=CC=C(F)C=C1)C1=CC=C(F)C=C1
InChI Key FQKUGOMFVDPBIZ-UHFFFAOYSA-N
Molecular Formula C16H15F2N3Si
Exact Mass 315.100 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-UFZ-UF401104
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MetadataPublished 2017-01-05
Related Molecule
  • bis(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane
  • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1900522 ChEMBL
    C18733 KEGG Ligand
    81922 ChEBI
    J791.573J Nikkaji
    HY-B2012 MedChemExpress
    VAVHEF CCDC
    DTXSID3024235 EPA CompTox Dashboard
    CB8339580 ChemicalBook
    73675 PubChem
    14801188 PubChem: Thomson Pharma
    85509-19-9 ACToR
    PD164863 ProbesDrugs
    Flusilazole Atlas
    F3WG2VVD87 FDA SRS
    510401 eMolecules
    18194 Brenda
    HMDB0039815 Human Metabolome Database
    ZINC000169876613 ZINC
    SCHEMBL21313 SureChEMBL
    The data in this table is sourced from UniChem at EBI.