Dataset

Flumioxazin; LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ316701 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 O=C3\C4=C(/C(=O)N3c2c(F)cc1OCC(=O)N(c1c2)CC#C)CCCC4
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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ316701
Version
Author
Maintainer
Language
MetadataPublished 2015-08-25
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.