Dataset

Cyanidin-3-O-alpha-arabinoside

This MassBank record with Accession MSBNK-RIKEN-PR306925 contains the MS2 mass spectrum of Cyanidin-3-O-alpha-arabinoside with the InChIkey KUCVMQMKRICXJC-UHFFFAOYSA-O.

Chemical Info

molecular Image
InChI InChI=1S/C20H18O10/c21-9-4-12(23)10-6-16(30-20-18(27)17(26)14(25)7-28-20)19(29-15(10)5-9)8-1-2-11(22)13(24)3-8/h1-6,14,17-18,20,25-27H,7H2,(H3-,21,22,23,24)/p+1
SMILES OC1COC(OC2=C([O+]=C3C=C(O)C=C(O)C3=C2)C2=CC(O)=C(O)C=C2)C(O)C1O
InChI Key KUCVMQMKRICXJC-UHFFFAOYSA-O
Molecular Formula [C20H19O10]+
Exact Mass 419.362 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-PR306925
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:45:20.142399
MetadataModified 2025-02-09T18:31:27.389909
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
PD040363 ProbesDrugs
70129809 NMRShiftDB
74079809 PubChem
The data in this table is sourced from UniChem at EBI.