Dataset

Fluoxastrobin; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU259004 contains the MS2 mass spectrum of Fluoxastrobin with the InChIkey UFEODZBUAFNAEU-NLRVBDNBSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H16ClFN4O5/c1-28-26-18(21-27-30-11-10-29-21)13-6-2-4-8-15(13)31-19-17(23)20(25-12-24-19)32-16-9-5-3-7-14(16)22/h2-9,12H,10-11H2,1H3/b26-18+
SMILES CO\N=C(\C1=NOCCO1)C1=C(OC2=C(F)C(OC3=C(Cl)C=CC=C3)=NC=N2)C=CC=C1
InChI Key UFEODZBUAFNAEU-NLRVBDNBSA-N
Molecular Formula C21H16ClFN4O5
Exact Mass 458.079 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-Athens_Univ-AU259004
Version
Author
Maintainer
Language
MetadataPublished 2019-05-29
Related Molecule
  • (E)-1-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:83253 chebi
    CHEMBL1902591 chembl
    18719 surechembl
    29368722 surechembl
    29376563 surechembl
    11048796 pubchem
    XQ43WY091Y fdasrs
    YEDNIF CCDC
    252980 brenda
    Molport-046-589-857 molport
    The data in this table is sourced from UniChem at EBI.