Dataset

Ginsenoside F1; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR308441 contains the MS2 mass spectrum of Ginsenoside F1 with the InChIkey XNGXWSFSJIQMNC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C36H62O9/c1-19(2)10-9-13-36(8,45-31-29(43)28(42)27(41)23(18-37)44-31)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(40)32(3,4)30(33)22(39)17-35(24,34)7/h10,20-31,37-43H,9,11-18H2,1-8H3
SMILES CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC21C
InChI Key XNGXWSFSJIQMNC-UHFFFAOYSA-N
Molecular Formula C36H62O9
Exact Mass 638.883 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-PR308441
Version
Author
Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • 2-(hydroxymethyl)-6-[6-methyl-2-(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]oxyoxane-3,4,5-triol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    12855923 PubChem
    HMDB0039555 Human Metabolome Database
    SCHEMBL21297623 SureChEMBL
    PD063505 ProbesDrugs
    60030816 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.