Dataset

Flumioxazin; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU263103 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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU263103
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MetadataPublished 2019-05-30
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
    92425 PubChem
    103361-09-7 ACToR
    CHEMBL2133606 ChEMBL
    16243537 PubChem: Thomson Pharma
    SCHEMBL39699 SureChEMBL
    L0PX7OGI22 FDA SRS
    30154916 eMolecules
    HMDB0034854 Human Metabolome Database
    14055 Brenda
    ZINC000000900727 ZINC
    J1.633.636J Nikkaji
    J664.809F Nikkaji
    HY-114507 MedChemExpress
    50487098 BindingDB
    NUPPUL CCDC
    8939 ChEBI
    DTXSID7032555 EPA CompTox Dashboard
    CB4273583 ChemicalBook
    C11035 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.