Dataset

Quercetin-3-O-glucosyl-6''-acetate; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR309238 contains the MS2 mass spectrum of Quercetin-3-O-glucosyl-6''-acetate with the InChIkey IGLUNMMNDNWZOA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3
SMILES CC(=O)OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O
InChI Key IGLUNMMNDNWZOA-UHFFFAOYSA-N
Molecular Formula C23H22O13
Exact Mass 506.416 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-PR309238
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MetadataPublished 2019-03-28
Related Molecule
  • [6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    15596585 PubChem
    HMDB0037366 Human Metabolome Database
    80001485 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.