Dataset

Geniposide; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR307335 contains the MS2 mass spectrum of Geniposide with the InChIkey IBFYXTRXDNAPMM-UHFFFAOYSA-N.

Chemical Information

molecular Image

InChI	InChI=1S/C17H24O10/c1-24-15(23)9-6-25-16(11-7(4-18)2-3-8(9)11)27-17-14(22)13(21)12(20)10(5-19)26-17/h2,6,8,10-14,16-22H,3-5H2,1H3
SMILES	COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CC=C2CO
InChI Key	IBFYXTRXDNAPMM-UHFFFAOYSA-N
Molecular Formula	C17H24O10
Exact Mass	388.369 g/mol

Data and Resources

GeniposideHTML

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Related Molecule ⌄

methyl 7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

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-PR307335
Version
Author
Maintainer
Language
MetadataPublished	2019-03-28
Related Molecule	methyl 7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
3515873	PubChem
MCULE-6059744038	Mcule
29936915	eMolecules
PD055988	ProbesDrugs
60073243	NMRShiftDB
181845	ChEBI
HMDB0252679	Human Metabolome Database
The data in this table is sourced from UniChem at EBI.