Dataset

Fluometuron; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ370902 contains the MS2 mass spectrum of Fluometuron with the InChIkey RZILCCPWPBTYDO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)
SMILES CN(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F
InChI Key RZILCCPWPBTYDO-UHFFFAOYSA-N
Molecular Formula C10H11F3N2O
Exact Mass 232.082 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-EQ370902
Version
Author
Maintainer
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MetadataPublished 2021-03-16
Related Molecule
  • 1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1569926 ChEMBL
    C18853 KEGG Ligand
    J3.388J Nikkaji
    252417 Brenda
    82012 ChEBI
    82012 Rhea
    HODHIS CCDC
    ZINC000002038834 ZINC
    CB1739608 ChemicalBook
    DTXSID8020628 EPA CompTox Dashboard
    509884 eMolecules
    296378G1S8 FDA SRS
    2164-17-2 ACToR
    SCHEMBL67252 SureChEMBL
    15068823 PubChem: Thomson Pharma
    16562 PubChem
    MCULE-3987043240 Mcule
    The data in this table is sourced from UniChem at EBI.