Dataset

Ginsenoside Rg2; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR305375 contains the MS2 mass spectrum of Ginsenoside Rg2 with the InChIkey AGBCLJAHARWNLA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C42H72O13/c1-20(2)11-10-14-42(9,51)22-12-16-40(7)28(22)23(44)17-26-39(6)15-13-27(45)38(4,5)35(39)24(18-41(26,40)8)53-37-34(32(49)30(47)25(19-43)54-37)55-36-33(50)31(48)29(46)21(3)52-36/h11,21-37,43-51H,10,12-19H2,1-9H3
SMILES CC1OC(OC2C(O)C(O)C(CO)OC2OC2CC3(C)C(CC(O)C4C(CCC34C)C(C)(O)CCC=C(C)C)C3(C)CCC(O)C(C)(C)C23)C(O)C(O)C1O
InChI Key AGBCLJAHARWNLA-UHFFFAOYSA-N
Molecular Formula C42H72O13
Exact Mass 785.025 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-PR305375
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MetadataPublished 2019-03-28
Related Molecule
  • 2-[2-[[3,12-dihydroxy-17-(2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethyl-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
    12912318 PubChem
    PD056301 ProbesDrugs
    60030812 NMRShiftDB
    HMDB0035395 Human Metabolome Database
    The data in this table is sourced from UniChem at EBI.