Dataset

Dp 3-Glc, Delphinidin-3-glucoside, Myrtillin, Delphinidin-3-O-beta-glucopyranoside, (2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PT112170 contains the MS2 mass spectrum of Dp 3-Glc, Delphinidin-3-glucoside, Myrtillin, Delphinidin-3-O-beta-glucopyranoside, (2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol with the InChIkey XENHPQQLDPAYIJ-UHFFFAOYSA-O.

Chemical Info

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	C1=C(C=C(C(=C1O)O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)OC4C(C(C(C(O4)CO)O)O)O
InChI Key	XENHPQQLDPAYIJ-UHFFFAOYSA-O
Molecular Formula	[C21H21O12]+
Exact Mass	465.387 g/mol

Data and Resources

Dp 3-Glc, Delphinidin-3-glucoside, Myrtillin,...HTML
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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PT112170
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:07:38.790812
MetadataModified	2024-01-11T21:07:38.982889
MetadataPublished	2008-07-28

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.