Dataset

Quercetin 3-O-[2''-O-b-D-glucopyranosyl]-a-L-rhamnopyranoside; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR311172 contains the MS2 mass spectrum of Quercetin 3-O-[2''-O-b-D-glucopyranosyl]-a-L-rhamnopyranoside with the InChIkey DFNXNCCYQRPZMD-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C27H30O16/c1-8-17(33)21(37)25(43-26-22(38)20(36)18(34)15(7-28)41-26)27(39-8)42-24-19(35)16-13(32)5-10(29)6-14(16)40-23(24)9-2-3-11(30)12(31)4-9/h2-6,8,15,17-18,20-22,25-34,36-38H,7H2,1H3
SMILES CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O
InChI Key DFNXNCCYQRPZMD-UHFFFAOYSA-N
Molecular Formula C27H30O16
Exact Mass 610.521 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-PR311172
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MetadataPublished 2019-03-28
Related Molecule
  • 3-[4,5-dihydroxy-6-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    HMDB0040486 Human Metabolome Database
    185492 ChEBI
    PD158846 ProbesDrugs
    60063797 NMRShiftDB
    14238625 PubChem
    The data in this table is sourced from UniChem at EBI.