Dataset

Flutriafol; LC-ESI-QFT; MS2; CE: 120; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ371007 contains the MS2 mass spectrum of Flutriafol with the InChIkey JWUCHKBSVLQQCO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2
SMILES C1=CC=C(C(=C1)C(CN2C=NC=N2)(C3=CC=C(C=C3)F)O)F
InChI Key JWUCHKBSVLQQCO-UHFFFAOYSA-N
Molecular Formula C16H13F2N3O
Exact Mass 301.103 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-Eawag-EQ371007
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MetadataPublished 2015-08-25
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    Measurement Technique liquid chromatography-mass spectrometry
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    J372.951F Nikkaji
    83707 ChEBI
    83P8CT2Z3H FDA SRS
    HY-W019852 MedChemExpress
    CB61120042 ChemicalBook
    DTXSID8040727 EPA CompTox Dashboard
    HMDB0252419 Human Metabolome Database
    91727 PubChem
    14873824 PubChem: Thomson Pharma
    CHEMBL2136951 ChEMBL
    SCHEMBL24004 SureChEMBL
    76674-21-0 ACToR
    87676-93-5 ACToR
    PD158714 ProbesDrugs
    499796 eMolecules
    MCULE-4031619752 Mcule
    CB1264692 ChemicalBook
    The data in this table is sourced from UniChem at EBI.