Dataset

Peonidin-3-O-alpha-arabinoside; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR303029 contains the MS2 mass spectrum of Peonidin-3-O-alpha-arabinoside with the InChIkey KRUPPTWQKIEURV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H20O10/c1-28-16-4-9(2-3-12(16)23)20-17(31-21-19(27)18(26)14(25)8-29-21)7-11-13(24)5-10(22)6-15(11)30-20/h2-7,14,18-19,21,25-27H,8H2,1H3,(H2-,22,23,24)
SMILES COC1=C(O)C=CC(=C1)C1=C(OC2OCC(O)C(O)C2O)C=C2C([O-])=CC(O)=CC2=[O+]1
InChI Key KRUPPTWQKIEURV-UHFFFAOYSA-N
Molecular Formula C21H20O10
Exact Mass 432.381 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-PR303029
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Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • nfdi4chem-mol99672(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.