Dataset

Gossypetin-8-C-glucoside; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR305488 contains the MS2 mass spectrum of Gossypetin-8-C-glucoside with the InChIkey SJRXVLUZMMDCNG-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H20O13/c22-5-11-13(27)15(29)17(31)21(32-11)34-19-10(26)4-9(25)12-14(28)16(30)18(33-20(12)19)6-1-2-7(23)8(24)3-6/h1-4,11,13,15,17,21-27,29-31H,5H2
SMILES OCC1OC(OC2=C(O)C=C(O)C3=C2OC(=C(O)C3=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O
InChI Key SJRXVLUZMMDCNG-UHFFFAOYSA-N
Molecular Formula C21H20O13
Exact Mass 480.378 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-PR305488
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MetadataPublished 2019-03-28
Related Molecule
  • 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[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
    5949214 PubChem
    PD028978 ProbesDrugs
    70120163 NMRShiftDB
    CHEMBL1337379 ChEMBL
    HMDB0252918 Human Metabolome Database
    MCULE-2947561355 Mcule
    The data in this table is sourced from UniChem at EBI.