Dataset

Diphacinone; LC-ESI-QFT; MS2; CE: 120%; R=15000; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ01094257 contains the MS2 mass spectrum of Diphacinone with the InChIkey JYGLAHSAISAEAL-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C23H16O3/c24-21-17-13-7-8-14-18(17)22(25)20(21)23(26)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19-20H
SMILES C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)C3C(=O)C4=CC=CC=C4C3=O
InChI Key JYGLAHSAISAEAL-UHFFFAOYSA-N
Molecular Formula C23H16O3
Exact Mass 340.110 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01094257
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MetadataPublished 2024-06-14
Related Molecule
  • 2-(2,2-diphenylacetyl)indene-1,3-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB13347 drugbank
    CHEBI:81896 chebi
    CHEMBL1413199 chembl
    29405205 surechembl
    43891 surechembl
    6719 pubchem
    54CA01C6JX fdasrs
    PD013527 probes_and_drugs
    37556 brenda
    HMDB0251443 hmdb
    Molport-001-789-295 molport
    4450 drugcentral
    The data in this table is sourced from UniChem at EBI.