Dataset

Peonidin-3-O-beta-galactoside; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR306980 contains the MS2 mass spectrum of Peonidin-3-O-beta-galactoside with the InChIkey ZZWPMFROUHHAKY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H22O11/c1-30-15-4-9(2-3-12(15)25)21-16(7-11-13(26)5-10(24)6-14(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)
SMILES COC1=C(O)C=CC(=C1)C1=C(OC2OC(CO)C(O)C(O)C2O)C=C2C([O-])=CC(O)=CC2=[O+]1
InChI Key ZZWPMFROUHHAKY-UHFFFAOYSA-N
Molecular Formula C22H22O11
Exact Mass 462.407 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-PR306980
Version
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Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • nfdi4chem-mol95654(Unknown Molecule)
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.