Dataset

Quercetin-3,4'-O-di-beta-glucopyranoside, Quercetin 3,4'-diglucoside, Que 3,4'-di-Glc; LC-ESI-QQ; MS2

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS121905 contains the MS2 mass spectrum of Quercetin-3,4'-O-di-beta-glucopyranoside, Quercetin 3,4'-diglucoside, Que 3,4'-di-Glc with the InChIkey RPVIQWDFJPYNJM-UHFFFAOYSA-N.

Chemical Information

InChI	InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)41-12-2-1-8(3-10(12)31)24-25(19(35)16-11(32)4-9(30)5-13(16)40-24)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2
SMILES	C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O
InChI Key	RPVIQWDFJPYNJM-UHFFFAOYSA-N
Molecular Formula	C27H30O17
Exact Mass	626.520 g/mol

Data and Resources

Quercetin-3,4'-O-di-beta-glucopyranoside,...HTML

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Related Molecule ⌄

5,7-dihydroxy-2-[3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

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-PS121905
Version
Author
Maintainer
Language
MetadataPublished	2009-02-09
Related Molecule	5,7-dihydroxy-2-[3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
70070506	NMRShiftDB
22630387	PubChem
HMDB0037363	Human Metabolome Database
The data in this table is sourced from UniChem at EBI.