Dataset

Homoeriodictyol; LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-

This MassBank record with Accession MSBNK-BS-BS003789 contains the MS2 mass spectrum of Homoeriodictyol with the InChIkey FTODBIPDTXRIGS-ZDUSSCGKSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H14O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-6,13,17-19H,7H2,1H3/t13-/m0/s1
SMILES C(OC1=C(C(=C(C(=C1[H])[C@]2([H])C(C(=O)C3=C(C(=C(C(=C3O2)[H])O[H])[H])O[H])([H])[H])[H])[H])O[H])([H])([H])[H]
InChI Key FTODBIPDTXRIGS-ZDUSSCGKSA-N
Molecular Formula C16H14O6
Exact Mass 302.079 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-BS-BS003789
Version
Author
Maintainer
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MetadataPublished 2017-12-01
Related Molecule
  • (2S)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:74960 chebi
    LMPK12140449 lipidmaps
    CHEMBL490170 chembl
    29411740 surechembl
    30383489 surechembl
    39497 surechembl
    73635 pubchem
    EHE7H3705C fdasrs
    PD171568 probes_and_drugs
    144438 brenda
    20299 brenda
    207846 brenda
    Molport-046-153-732 molport
    50325672 bindingdb
    The data in this table is sourced from UniChem at EBI.