Dataset

Flurtamone; LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ360004 contains the MS2 mass spectrum of Flurtamone with the InChIkey NYRMIJKDBAQCHC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H14F3NO2/c1-22-17-14(12-8-5-9-13(10-12)18(19,20)21)15(23)16(24-17)11-6-3-2-4-7-11/h2-10,16,22H,1H3
SMILES CNC1=C(C(=O)C(O1)C2=CC=CC=C2)C3=CC(=CC=C3)C(F)(F)F
InChI Key NYRMIJKDBAQCHC-UHFFFAOYSA-N
Molecular Formula C18H14F3NO2
Exact Mass 333.098 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-EQ360004
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Maintainer
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MetadataPublished 2015-08-25
Related Molecule
  • 5-(methylamino)-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:138738 chebi
    CHEMBL1863061 chembl
    29352097 surechembl
    54435 surechembl
    91755 pubchem
    U2379SGQ8L fdasrs
    163099 brenda
    HMDB0252414 hmdb
    Molport-003-933-753 molport
    The data in this table is sourced from UniChem at EBI.