Dataset

1-O-Sinapoyl-beta-D-glucose, 1-O-b-D-glucopyranosyl sinapate, 1-O-Sinapoyl beta-D-glucoside

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS118109 contains the MS2 mass spectrum of 1-O-Sinapoyl-beta-D-glucose, 1-O-b-D-glucopyranosyl sinapate, 1-O-Sinapoyl beta-D-glucoside with the InChIkey XRKBRPFTFKKHEF-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3
SMILES COC1=CC(=CC(=C1O)OC)C=CC(=O)OC2C(C(C(C(O2)CO)O)O)O
InChI Key XRKBRPFTFKKHEF-UHFFFAOYSA-N
Molecular Formula C17H22O10
Exact Mass 386.353 g/mol

Data and Resources

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-PS118109
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:25:53.970174
MetadataModified 2025-02-09T19:07:20.710815
MetadataPublished 2009-02-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
4628123 PubChem
The data in this table is sourced from UniChem at EBI.