Dataset

Isoflavone base + 3O; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR310856 contains the MS2 mass spectrum of Isoflavone base + 3O with the InChIkey DDKGKOOLFLYZDL-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H10O5/c16-9-2-3-10-14(6-9)20-7-11(15(10)19)8-1-4-12(17)13(18)5-8/h1-7,16-18H
SMILES O=C1C(=COC2=CC(O)=CC=C12)C3=CC=C(O)C(O)=C3
InChI Key DDKGKOOLFLYZDL-UHFFFAOYSA-N
Molecular Formula C15H10O5
Exact Mass 270.240 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR310856
Version
Author
Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • 3-(3,4-dihydroxyphenyl)-7-hydroxychromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    LMPK12050055 lipidmaps
    47X rcsb_pdb
    CHEMBL13486 chembl
    29392289 surechembl
    29482679 surechembl
    29482686 surechembl
    73012 surechembl
    5284648 pubchem
    T08Y239E7Y fdasrs
    9985 gtopdb
    PD057176 probes_and_drugs
    225164 brenda
    23230 brenda
    56865 brenda
    57807 brenda
    78348 brenda
    47X pdbe
    CHEBI:50399 chebi
    HMDB0041655 hmdb
    DTXSID3022451 comptox
    FDB029811 foodb
    Molport-003-850-715 molport
    50095997 bindingdb
    The data in this table is sourced from UniChem at EBI.