Dataset

Quercetin-3-O-rhamnoside

This MassBank record with Accession MSBNK-RIKEN-PR305681 contains the MS2 mass spectrum of Quercetin-3-O-rhamnoside with the InChIkey OXGUCUVFOIWWQJ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3
SMILES CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O
InChI Key OXGUCUVFOIWWQJ-UHFFFAOYSA-N
Molecular Formula C21H20O11
Exact Mass 448.380 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-PR305681
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:43:31.743005
MetadataModified 2024-01-11T20:43:31.914758
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
HMDB0257017 Human Metabolome Database
513036 BindingDB
PD056299 ProbesDrugs
60022316 NMRShiftDB
522-12-3 ACToR
5353915 PubChem
SCHEMBL147093 SureChEMBL
The data in this table is sourced from UniChem at EBI.