Dataset

Malvidin-3-O-glucoside

This MassBank record with Accession MSBNK-RIKEN-PR308835 contains the MS2 mass spectrum of Malvidin-3-O-glucoside with the InChIkey PXUQTDZNOHRWLI-UHFFFAOYSA-O.

Chemical Info

molecular Image
InChI InChI=1S/C23H24O12/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)/p+1
SMILES COC1=CC(=CC(OC)=C1O)C1=[O+]C2=CC(O)=CC(O)=C2C=C1OC1OC(CO)C(O)C(O)C1O
InChI Key PXUQTDZNOHRWLI-UHFFFAOYSA-O
Molecular Formula [C23H25O12]+
Exact Mass 493.441 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-PR308835
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:43:28.971918
MetadataModified 2024-01-11T20:43:29.151119
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
3568969 PubChem
HMDB0038010 Human Metabolome Database
PD045583 ProbesDrugs
60029629 NMRShiftDB
The data in this table is sourced from UniChem at EBI.