Dataset

Ginsenoside Rb3

This MassBank record with Accession MSBNK-RIKEN-PR308527 contains the MS2 mass spectrum of Ginsenoside Rb3 with the InChIkey SNPYJWZTTUVUIS-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C53H90O22/c1-8-23(2)10-9-15-53(7,75-48-44(67)40(63)38(61)31(72-48)22-69-46-42(65)35(58)28(57)21-68-46)25-13-16-52(6)24-11-12-32-50(3,4)33(14-17-51(32,5)26(24)18-27(56)34(25)52)73-49-45(41(64)37(60)30(20-55)71-49)74-47-43(66)39(62)36(59)29(19-54)70-47/h10,24-49,54-67H,8-9,11-22H2,1-7H3
SMILES CCC(C)=CCCC(C)(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C2CCC2C(C)(C)C(CCC12C)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O
InChI Key SNPYJWZTTUVUIS-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-PR308527
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:41:58.349113
MetadataModified 2024-01-11T20:41:58.502656
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
77906406 PubChem
PD065130 ProbesDrugs
The data in this table is sourced from UniChem at EBI.