Dataset

5-(6-acetyloxy-3,5,7-trimethoxy-4-oxochromen-2-yl)-2-methoxyphenyl acetate; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00165 contains the MS2 mass spectrum of 5-(6-acetyloxy-3,5,7-trimethoxy-4-oxochromen-2-yl)-2-methoxyphenyl acetate with the InChIkey FWZKNPRCZCUJMQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C23H22O10/c1-11(24)31-15-9-13(7-8-14(15)27-3)20-23(30-6)19(26)18-16(33-20)10-17(28-4)21(22(18)29-5)32-12(2)25/h7-10H,1-6H3
SMILES CC(=O)OC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC(=O)C)OC)OC)OC
InChI Key FWZKNPRCZCUJMQ-UHFFFAOYSA-N
Molecular Formula C23H22O10
Exact Mass 458.121 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-Washington_State_Univ-BML00165
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MetadataPublished 2016-01-19
Related Molecule
  • [5-(6-acetyloxy-3,5,7-trimethoxy-4-oxochromen-2-yl)-2-methoxyphenyl] acetate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1484360 chembl
    17179788 surechembl
    1269246 pubchem
    PD231167 probes_and_drugs
    DTXSID301346781 comptox
    Molport-002-515-732 molport
    The data in this table is sourced from UniChem at EBI.