Dataset

Flutolanil; LC-ESI-QFT; MS2; CE: 90%; R=15000; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ00352456 contains the MS2 mass spectrum of Flutolanil with the InChIkey PTCGDEVVHUXTMP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)
SMILES CC(C)OC1=CC(NC(=O)C2=C(C=CC=C2)C(F)(F)F)=CC=C1
InChI Key PTCGDEVVHUXTMP-UHFFFAOYSA-N
Molecular Formula C17H16F3NO2
Exact Mass 323.113 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-EQ00352456
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MetadataPublished 2024-06-14
Related Molecule
  • N-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:81792 chebi
    FTN rcsb_pdb
    CHEMBL487185 chembl
    18555 surechembl
    29451184 surechembl
    47898 pubchem
    2USL6Y9JZ4 fdasrs
    PD075111 probes_and_drugs
    KUYVOQ CCDC
    74746 brenda
    FTN - Ideal conformer pdbe
    Molport-002-920-015 molport
    The data in this table is sourced from UniChem at EBI.