Dataset

7-O-acetyldaphnoretin; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+

This MassBank record with Accession MSBNK-RIKEN_NPDepo-NGA02945 contains the MS2 mass spectrum of 7-O-acetyldaphnoretin with the InChIkey JGZOXTSCOZGQNQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H14O8/c1-11(22)26-18-10-16-13(7-17(18)25-2)8-19(21(24)29-16)27-14-5-3-12-4-6-20(23)28-15(12)9-14/h3-10H,1-2H3
SMILES COc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1OC(C)=O
InChI Key JGZOXTSCOZGQNQ-UHFFFAOYSA-N
Molecular Formula C21H14O8
Exact Mass 394.341 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_NPDepo-NGA02945
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MetadataPublished 2018-04-04
Related Molecule
  • [6-methoxy-2-oxo-3-(2-oxochromen-7-yl)oxychromen-7-yl] acetate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1509697 chembl
    1269245 pubchem
    Molport-002-514-868 molport
    The data in this table is sourced from UniChem at EBI.