Dataset

Sanchinoside Re, Ginsenoside Re

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PM004702 contains the MS2 mass spectrum of Sanchinoside Re, Ginsenoside Re with the InChIkey PWAOOJDMFUQOKB-KWVBUYMASA-N.

Chemical Info

molecular Image
InChI InChI=1S/C48H82O18/c1-21(2)11-10-14-48(9,66-42-38(60)35(57)32(54)26(19-49)63-42)23-12-16-46(7)30(23)24(51)17-28-45(6)15-13-29(52)44(4,5)40(45)25(18-47(28,46)8)62-43-39(36(58)33(55)27(20-50)64-43)65-41-37(59)34(56)31(53)22(3)61-41/h11,22-43,49-60H,10,12-20H2,1-9H3/t22-,23+,24-,25+,26-,27-,28-,29+,30?,31-,32-,33-,34+,35+,36+,37+,38-,39-,40?,41?,42?,43?,45-,46?,47-,48+/m1/s1
SMILES CC(C)=CCC[C@](C)(OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CCC2(C)C1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)C3[C@@H](OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3OC3O[C@H](C)[C@@H](O)[C@H](O)[C@@H]3O)C[C@]12C
InChI Key PWAOOJDMFUQOKB-KWVBUYMASA-N
Molecular Formula C48H82O18
Exact Mass 947.166 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PM004702
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:07:15.430634
MetadataModified 2024-01-11T21:07:15.586271
MetadataPublished 2008-04-04
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
122130479 PubChem
The data in this table is sourced from UniChem at EBI.