Dataset

Ginsenoside Rg2

This MassBank record with Accession MSBNK-RIKEN-PR305377 contains the MS2 mass spectrum of Ginsenoside Rg2 with the InChIkey AGBCLJAHARWNLA-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C42H72O13/c1-20(2)11-10-14-42(9,51)22-12-16-40(7)28(22)23(44)17-26-39(6)15-13-27(45)38(4,5)35(39)24(18-41(26,40)8)53-37-34(32(49)30(47)25(19-43)54-37)55-36-33(50)31(48)29(46)21(3)52-36/h11,21-37,43-51H,10,12-19H2,1-9H3
SMILES CC1OC(OC2C(O)C(O)C(CO)OC2OC2CC3(C)C(CC(O)C4C(CCC34C)C(C)(O)CCC=C(C)C)C3(C)CCC(O)C(C)(C)C23)C(O)C(O)C1O
InChI Key AGBCLJAHARWNLA-UHFFFAOYSA-N
Molecular Formula C42H72O13
Exact Mass 785.025 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-PR305377
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:42:55.563119
MetadataModified 2024-01-11T20:42:55.734364
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
12912318 PubChem
PD056301 ProbesDrugs
60030812 NMRShiftDB
HMDB0035395 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.