Dataset

Ginsenoside Rg6; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR308588 contains the MS2 mass spectrum of Ginsenoside Rg6 with the InChIkey ZVTVWDXRNMHGNY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C42H70O12/c1-20(2)11-10-12-21(3)23-13-16-41(8)29(23)24(44)17-27-40(7)15-14-28(45)39(5,6)36(40)25(18-42(27,41)9)52-38-35(33(49)31(47)26(19-43)53-38)54-37-34(50)32(48)30(46)22(4)51-37/h11,22-38,43-50H,3,10,12-19H2,1-2,4-9H3
SMILES CC1OC(OC2C(O)C(O)C(CO)OC2OC2CC3(C)C(CC(O)C4C(CCC34C)C(=C)CCC=C(C)C)C3(C)CCC(O)C(C)(C)C23)C(O)C(O)C1O
InChI Key ZVTVWDXRNMHGNY-UHFFFAOYSA-N
Molecular Formula C42H70O12
Exact Mass 767.010 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR308588
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MetadataPublished 2019-03-28
Related Molecule
  • 2-[2-[[3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-(6-methylhepta-1,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    PD100325 ProbesDrugs
    75231332 PubChem
    HMDB0039701 Human Metabolome Database
    The data in this table is sourced from UniChem at EBI.