Dataset

Fluindione; LC-ESI-Q; MS; NEG; 60 V

This MassBank record with Accession MSBNK-Waters-WA002599 contains the MS mass spectrum of Fluindione with the InChIkey NASXCEITKQITLD-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H9FO2/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13H
SMILES Fc(c3)ccc(c3)C(C(=O)1)C(=O)c(c2)c(ccc2)1
InChI Key NASXCEITKQITLD-UHFFFAOYSA-N
Molecular Formula C15H9FO2
Exact Mass 240.059 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002599
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 2-(4-fluorophenyl)indene-1,3-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB13136 drugbank
    CHEBI:134975 chebi
    CHEMBL24924 chembl
    29362659 surechembl
    309362 surechembl
    68942 pubchem
    EQ35YMS20Q fdasrs
    PD014103 probes_and_drugs
    265152 brenda
    HMDB0252334 hmdb
    DTXSID1046211 comptox
    NCT00966290 clinicaltrials
    NCT02161965 clinicaltrials
    Molport-002-915-580 molport
    1194 drugcentral
    50280156 bindingdb
    The data in this table is sourced from UniChem at EBI.