Dataset

Ginsenoside F3; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR304345 contains the MS2 mass spectrum of Ginsenoside F3 with the InChIkey HJRVLGWTJSLQIG-TVOOLRDFSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C41H70O13/c1-20(2)10-9-13-41(8,54-36-33(50)31(48)30(47)25(53-36)19-52-35-32(49)29(46)24(44)18-51-35)21-11-15-39(6)28(21)22(42)16-26-38(5)14-12-27(45)37(3,4)34(38)23(43)17-40(26,39)7/h10,21-36,42-50H,9,11-19H2,1-8H3/t21-,22-,23+,24-,25-,26-,27+,28-,29-,30-,31+,32+,33-,34-,35+,36+,38-,39-,40-,41+/m0/s1
SMILES CC(C)=CCC[C@@](C)(O[C@H]1O[C@@H](CO[C@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)[C@H]1CC[C@@]2(C)[C@@H]1[C@@H](O)C[C@H]1[C@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3[C@H](O)C[C@]21C
InChI Key HJRVLGWTJSLQIG-TVOOLRDFSA-N
Molecular Formula C41H70O13
Exact Mass 770.998 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-PR304345
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MetadataPublished 2019-03-28
Related Molecule
  • (2R,3S,4R,5R,6S)-2-[(2R)-6-methyl-2-[(3R,5R,6R,8S,9S,10S,12S,13R,14S,17S)-3,6,12-trihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-en-2-yl]oxy-6-[[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    137832346 PubChem
    The data in this table is sourced from UniChem at EBI.