Dataset

Peonidin-3-O-beta-galactoside

This MassBank record with Accession MSBNK-RIKEN-PR303233 contains the MS2 mass spectrum of Peonidin-3-O-beta-galactoside with the InChIkey ZZWPMFROUHHAKY-VRRLNDPFSA-N.

Chemical Info

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)/t17-,18+,19+,20-,22-/m1/s1
SMILES COC1=C(O)C=CC(=C1)C1=C(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=C2C([O-])=CC(O)=CC2=[O+]1
InChI Key ZZWPMFROUHHAKY-VRRLNDPFSA-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-PR303233
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:43:41.056038
MetadataModified 2024-01-11T20:43:41.226254
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
193098 ChEBI
The data in this table is sourced from UniChem at EBI.