Dataset

Ginkgolide A; LC-APCI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81292 contains the MS mass spectrum of Ginkgolide A with the InChIkey FPUXKXIZEIDQKW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H24O9/c1-7-12(22)26-10-6-17-9-5-8(16(2,3)4)18(17)11(21)13(23)28-15(18)29-20(17,14(24)27-9)19(7,10)25/h7-11,15,21,25H,5-6H2,1-4H3
SMILES CC1C(=O)OC2C1(C34C(=O)OC5C3(C2)C6(C(C5)C(C)(C)C)C(C(=O)OC6O4)O)O
InChI Key FPUXKXIZEIDQKW-UHFFFAOYSA-N
Molecular Formula C20H24O9
Exact Mass 408.142 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML81292
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Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 8-tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL14029426 SureChEMBL
    HMDB0036862 Human Metabolome Database
    29549693 eMolecules
    115221 PubChem
    60022563 NMRShiftDB
    181554 ChEBI
    PD056198 ProbesDrugs
    CHEMBL1408113 ChEMBL
    The data in this table is sourced from UniChem at EBI.