Dataset

Cyanidin-3-O-rhamnoside

This MassBank record with Accession MSBNK-RIKEN-PR307019 contains the MS2 mass spectrum of Cyanidin-3-O-rhamnoside with the InChIkey USWXMMRFOWNEOR-UHFFFAOYSA-O.

Chemical Info

molecular Image
InChI InChI=1S/C21H20O10/c1-8-17(26)18(27)19(28)21(29-8)31-16-7-11-13(24)5-10(22)6-15(11)30-20(16)9-2-3-12(23)14(25)4-9/h2-8,17-19,21,26-28H,1H3,(H3-,22,23,24,25)/p+1
SMILES CC1OC(OC2=C([O+]=C3C=C(O)C=C(O)C3=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O
InChI Key USWXMMRFOWNEOR-UHFFFAOYSA-O
Molecular Formula [C21H21O10]+
Exact Mass 433.389 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-PR307019
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:04:09.216668
MetadataModified 2025-02-09T18:32:07.643813
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
60079729 NMRShiftDB
72812405 PubChem
HMDB0037975 Human Metabolome Database
176110 ChEBI
The data in this table is sourced from UniChem at EBI.