Dataset

Kaempferol-3-O-glucoside; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR305461 contains the MS2 mass spectrum of Kaempferol-3-O-glucoside with the InChIkey JPUKWEQWGBDDQB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2
SMILES OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O
InChI Key JPUKWEQWGBDDQB-UHFFFAOYSA-N
Molecular Formula C21H20O11
Exact Mass 448.380 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR305461
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MetadataPublished 2019-03-28
Related Molecule
  • 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    5462193 PubChem
    60024209 NMRShiftDB
    PD086921 ProbesDrugs
    HMDB0257804 Human Metabolome Database
    The data in this table is sourced from UniChem at EBI.