Dataset

Quercetin-3-O-galactoside; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR302789 contains the MS2 mass spectrum of Quercetin-3-O-galactoside with the InChIkey OVSQVDMCBVZWGM-DTGCRPNFSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1
SMILES OC[C@H]1O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@H]1O
InChI Key OVSQVDMCBVZWGM-DTGCRPNFSA-N
Molecular Formula C21H20O12
Exact Mass 464.379 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-PR302789
Version
Author
Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-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
    CHEBI:67486 chebi
    LMPK12112041 lipidmaps
    J6O rcsb_pdb
    CHEMBL251254 chembl
    1250514 surechembl
    29509019 surechembl
    29611459 surechembl
    5281643 pubchem
    8O1CR18L82 fdasrs
    PD002972 probes_and_drugs
    11743 brenda
    15941 brenda
    56625 brenda
    60669 brenda
    66582 brenda
    71872 brenda
    HMDB0030775 hmdb
    1033970 bindingdb
    1336394 bindingdb
    868609 bindingdb
    Molport-001-740-566 molport
    The data in this table is sourced from UniChem at EBI.