Dataset

Ginkgolide C; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR307807 contains the MS2 mass spectrum of Ginkgolide C with the InChIkey AMOGMTLMADGEOQ-UHFFFAOYSA-N.

Chemical Information

molecular Image

InChI	InChI=1S/C20H24O11/c1-5-12(24)28-11-8(22)18-10-6(21)7(16(2,3)4)17(18)9(23)13(25)30-15(17)31-20(18,14(26)29-10)19(5,11)27/h5-11,15,21-23,27H,1-4H3
SMILES	CC1C(=O)OC2C(O)C34C5OC(=O)C3(OC3OC(=O)C(O)C43C(C5O)C(C)(C)C)C12O
InChI Key	AMOGMTLMADGEOQ-UHFFFAOYSA-N
Molecular Formula	C20H24O11
Exact Mass	440.401 g/mol

Data and Resources

Ginkgolide CHTML

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Related Molecule ⌄

8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione

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-PR307807
Version
Author
Maintainer
Language
MetadataPublished	2019-03-28
Related Molecule	8-tert-butyl-6,9,12,17-tetrahydroxy-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
29549697	eMolecules
161120	PubChem
PD056199	ProbesDrugs
70122560	NMRShiftDB
HMDB0036860	Human Metabolome Database
The data in this table is sourced from UniChem at EBI.