Dataset

Flumioxazin; LC-ESI-QFT; MS2; CE: 75%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00316705 contains the MS2 mass spectrum of Flumioxazin with the InChIkey FOUWCSDKDDHKQP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H15FN2O4/c1-2-7-21-15-9-14(13(20)8-16(15)26-10-17(21)23)22-18(24)11-5-3-4-6-12(11)19(22)25/h1,8-9H,3-7,10H2
SMILES FC1=CC2=C(C=C1N1C(=O)C3=C(CCCC3)C1=O)N(CC#C)C(=O)CO2
InChI Key FOUWCSDKDDHKQP-UHFFFAOYSA-N
Molecular Formula C19H15FN2O4
Exact Mass 354.102 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-EQ00316705
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MetadataPublished 2024-06-14
Related Molecule
  • 2-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:8939 chebi
    CHEMBL2133606 chembl
    29539500 surechembl
    39699 surechembl
    92425 pubchem
    L0PX7OGI22 fdasrs
    PD206358 probes_and_drugs
    NUPPUL CCDC
    14055 brenda
    HMDB0034854 hmdb
    Molport-006-823-841 molport
    50487098 bindingdb
    The data in this table is sourced from UniChem at EBI.