Dataset

Fludioxonil; LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-

This MassBank record with Accession MSBNK-LCSB-LU004955 contains the MS2 mass spectrum of Fludioxonil with the InChIkey MUJOIMFVNIBMKC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H
SMILES FC1(F)OC2=CC=CC(=C2O1)C1=CNC=C1C#N
InChI Key MUJOIMFVNIBMKC-UHFFFAOYSA-N
Molecular Formula C12H6F2N2O2
Exact Mass 248.040 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-LCSB-LU004955
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MetadataPublished 2020-08-19
Related Molecule
  • 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:81763 chebi
    CHEMBL485833 chembl
    22172 surechembl
    29368170 surechembl
    86398 pubchem
    ENS9J0YM16 fdasrs
    PD085604 probes_and_drugs
    SAHDAI CCDC
    138695 brenda
    HMDB0252328 hmdb
    Molport-003-933-661 molport
    The data in this table is sourced from UniChem at EBI.