Dataset

Licoagroside B (Not validated)

This MassBank record with Accession MSBNK-RIKEN-PR309006 contains the MS2 mass spectrum of Licoagroside B (Not validated) with the InChIkey WCVUIHQUPRXYKT-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H24O12/c1-8-16(9(19)3-4-27-8)30-17-15(25)14(24)13(23)10(29-17)7-28-12(22)6-18(2,26)5-11(20)21/h3-4,10,13-15,17,23-26H,5-7H2,1-2H3,(H,20,21)
SMILES O=C(O)CC(O)(C)CC(=O)OCC2OC(OC=1C(=O)C=COC=1C)C(O)C(O)C2(O)
InChI Key WCVUIHQUPRXYKT-UHFFFAOYSA-N
Molecular Formula C18H24O12
Exact Mass 432.378 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-PR309006
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:36:16.234827
MetadataModified 2025-02-09T18:30:23.503525
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
70101995 NMRShiftDB
73880679 PubChem
HMDB0036523 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.