Dataset

Quercetin-3-O-xyloside

This MassBank record with Accession MSBNK-RIKEN-PR303075 contains the MS2 mass spectrum of Quercetin-3-O-xyloside with the InChIkey PZZRDJXEMZMZFD-DUYPVGENSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2/t12-,15+,17-,20?/m1/s1
SMILES O[C@@H]1COC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)[C@H](O)[C@H]1O
InChI Key PZZRDJXEMZMZFD-DUYPVGENSA-N
Molecular Formula C20H18O11
Exact Mass 434.353 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-PR303075
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:43:04.297101
MetadataModified 2024-01-11T20:43:04.453720
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CB9685187 ChemicalBook
DTXSID10415782 EPA CompTox Dashboard
26752559 eMolecules
5320863 PubChem
60031637 NMRShiftDB
The data in this table is sourced from UniChem at EBI.