Dataset

Saikosaponin b2

This MassBank record with Accession MSBNK-RIKEN-PR307757 contains the MS2 mass spectrum of Saikosaponin b2 with the InChIkey WRYJYFCCMSVEPQ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C42H68O13/c1-21-29(47)34(55-35-32(50)31(49)30(48)24(18-43)53-35)33(51)36(52-21)54-28-11-12-38(4)25(39(28,5)19-44)10-13-40(6)26(38)9-8-22-23-16-37(2,3)14-15-42(23,20-45)27(46)17-41(22,40)7/h8-9,21,24-36,43-51H,10-20H2,1-7H3
SMILES CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC3=C5CC(C)(C)CCC5(CO)C(O)CC43C)C2(C)CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O
InChI Key WRYJYFCCMSVEPQ-UHFFFAOYSA-N
Molecular Formula C42H68O13
Exact Mass 780.993 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-PR307757
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:38:16.135887
MetadataModified 2024-01-11T20:38:16.290677
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
HMDB0257448 Human Metabolome Database
182886 ChEBI
PD065213 ProbesDrugs
14798494 PubChem
The data in this table is sourced from UniChem at EBI.