Dataset

Gentiopicroside; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR307355 contains the MS2 mass spectrum of Gentiopicroside with the InChIkey DUAGQYUORDTXOR-UHFFFAOYSA-N.

Chemical Information

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-PR307355
Version
Author
Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • 4-ethenyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6-dihydro-3H-pyrano[3,4-c]pyran-8-one
    • 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.