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
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Author
Maintainer
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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
    SCHEMBL18719 SureChEMBL
    J3.642.605E Nikkaji
    ZINC000013831529 ZINC
    17498237 eMolecules
    193740-76-0 ACToR
    16114469 PubChem: Thomson Pharma
    11048796 PubChem
    XQ43WY091Y FDA SRS
    83253 ChEBI
    CHEMBL1902591 ChEMBL
    252980 Brenda
    CB6505916 ChemicalBook
    YEDNIF CCDC
    DTXSID2034625 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.