Dataset

Ginsenoside Rb2

This MassBank record with Accession MSBNK-RIKEN-PR307836 contains the MS2 mass spectrum of Ginsenoside Rb2 with the InChIkey NODILNFGTFIURN-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C53H90O22/c1-23(2)10-9-14-53(8,75-47-43(67)39(63)37(61)29(72-47)22-69-45-41(65)34(58)26(57)21-68-45)24-11-16-52(7)33(24)25(56)18-31-50(5)15-13-32(49(3,4)30(50)12-17-51(31,52)6)73-48-44(40(64)36(60)28(20-55)71-48)74-46-42(66)38(62)35(59)27(19-54)70-46/h10,24-48,54-67H,9,11-22H2,1-8H3
SMILES CC(C)=CCCC(C)(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C
InChI Key NODILNFGTFIURN-UHFFFAOYSA-N
Molecular Formula C53H90O22
Exact Mass 1079.281 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-PR307836
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:43:19.859556
MetadataModified 2024-01-11T20:43:20.016835
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
HMDB0034996 Human Metabolome Database
11021-13-9 ACToR
60030844 NMRShiftDB
PD065129 ProbesDrugs
432450 PubChem
The data in this table is sourced from UniChem at EBI.