Dataset

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

This MassBank record with Accession MSBNK-UFZ-UF406404 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)C1=CC=CC=C1)C1=CC=CC(=C1)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-UFZ-UF406404
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MetadataPublished 2017-01-05
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
    CHEMBL1863061 ChEMBL
    HMDB0252414 Human Metabolome Database
    U2379SGQ8L FDA SRS
    J265.195E Nikkaji
    DTXSID5058228 EPA CompTox Dashboard
    CB6491264 ChemicalBook
    16390422 PubChem: Thomson Pharma
    96525-23-4 ACToR
    91755 PubChem
    SCHEMBL54435 SureChEMBL
    511155 eMolecules
    163099 Brenda
    138738 ChEBI
    The data in this table is sourced from UniChem at EBI.