Dataset

Delphinidin 3-galactoside

This MassBank record with Accession MSBNK-RIKEN-PR303728 contains the MS2 mass spectrum of Delphinidin 3-galactoside with the InChIkey XENHPQQLDPAYIJ-UHFFFAOYSA-O.

Chemical Info

molecular Image
InChI InChI=1S/C21H20O12/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-5-9-10(24)3-8(23)4-13(9)31-20(14)7-1-11(25)16(27)12(26)2-7/h1-5,15,17-19,21-22,28-30H,6H2,(H4-,23,24,25,26,27)/p+1
SMILES OCC1OC(OC2=C([O+]=C3C=C(O)C=C(O)C3=C2)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O
InChI Key XENHPQQLDPAYIJ-UHFFFAOYSA-O
Molecular Formula [C21H21O12]+
Exact Mass 465.387 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-PR303728
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:40:44.312841
MetadataModified 2024-01-11T20:40:44.499515
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
PD041716 ProbesDrugs
60081912 NMRShiftDB
13915667 PubChem
The data in this table is sourced from UniChem at EBI.