Dataset

Gentiopicroside

This MassBank record with Accession MSBNK-RIKEN-PR307362 contains the MS2 mass spectrum of Gentiopicroside with the InChIkey DUAGQYUORDTXOR-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H20O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2-3,6-7,10-13,15-20H,1,4-5H2
SMILES OCC1OC(OC2OC=C3C(=O)OCC=C3C2C=C)C(O)C(O)C1O
InChI Key DUAGQYUORDTXOR-UHFFFAOYSA-N
Molecular Formula C16H20O9
Exact Mass 356.327 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-PR307362
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:41:51.487240
MetadataModified 2024-01-11T20:41:51.669486
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
354445 PubChem
HMDB0252696 Human Metabolome Database
CIVDAM CCDC
PD056383 ProbesDrugs
The data in this table is sourced from UniChem at EBI.