Dataset

6,7-Dihydroxycoumarin-6-glucoside; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR306831 contains the MS2 mass spectrum of 6,7-Dihydroxycoumarin-6-glucoside with the InChIkey XHCADAYNFIFUHF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2
SMILES OCC1OC(OC2=C(O)C=C3OC(=O)C=CC3=C2)C(O)C(O)C1O
InChI Key XHCADAYNFIFUHF-UHFFFAOYSA-N
Molecular Formula C15H16O9
Exact Mass 340.284 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-PR306831
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MetadataPublished 2019-03-28
Related Molecule
  • 7-hydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL359043 chembl
    2894 surechembl
    5351506 pubchem
    PD056307 probes_and_drugs
    413153 bindingdb
    413179 bindingdb
    413205 bindingdb
    413231 bindingdb
    Molport-001-683-957 molport
    The data in this table is sourced from UniChem at EBI.