Dataset

Daphnoretine Acetate; LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01200 contains the MS2 mass spectrum of Daphnoretine Acetate 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 CC(=O)OC1=C(C=C2C=C(C(=O)OC2=C1)OC3=CC4=C(C=C3)C=CC(=O)O4)OC
InChI Key JGZOXTSCOZGQNQ-UHFFFAOYSA-N
Molecular Formula C21H14O8
Exact Mass 394.069 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-BML01200
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MetadataPublished 2016-01-19
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
    MCULE-5602103426 Mcule
    1269245 PubChem
    4795637 eMolecules
    70077611 NMRShiftDB
    CHEMBL1509697 ChEMBL
    ZINC000001082868 ZINC
    The data in this table is sourced from UniChem at EBI.