Dataset

Loganin; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR307429 contains the MS2 mass spectrum of Loganin with the InChIkey AMBQHHVBBHTQBF-UHFFFAOYSA-N.

Chemical Information

molecular Image

InChI	InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3
SMILES	COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)C(O)CC12
InChI Key	AMBQHHVBBHTQBF-UHFFFAOYSA-N
Molecular Formula	C17H26O10
Exact Mass	390.385 g/mol

Data and Resources

LoganinHTML

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Related Molecule ⌄

methyl 6-hydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[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-PR307429
Version
Author
Maintainer
Language
MetadataPublished	2019-03-28
Related Molecule	methyl 6-hydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
601562	pubchem
PD056208	probes_and_drugs
HMDB0247827	hmdb
The data in this table is sourced from UniChem at EBI.