Dataset

Peonidin-3-O-glucoside

This MassBank record with Accession MSBNK-RIKEN-PR306321 contains the MS2 mass spectrum of Peonidin-3-O-glucoside with the InChIkey ZZWPMFROUHHAKY-UHFFFAOYSA-O.

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)/p+1
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-O
Molecular Formula [C22H23O11]+
Exact Mass 463.415 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-PR306321
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:43:35.119237
MetadataModified 2024-01-11T20:43:35.272105
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
60068168 NMRShiftDB
PD070879 ProbesDrugs
14311151 PubChem
The data in this table is sourced from UniChem at EBI.