Dataset

Ginsenoside-Rb2

This MassBank record with Accession MSBNK-Fiocruz-FIO00104 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)(C1OC(O7)C(OC(C8O)OC(CO)C(C8O)O)C(C(C7CO)O)O)C(C2)C(C(C6)C(C(C(C6O)3)(CCC3C(CCC=C(C)C)(C)OC(O4)C(C(C(C4COC(O5)C(C(O)C(O)C5)O)O)O)O)C)(C)C2)(C)CC1
InChI Key NODILNFGTFIURN-UHFFFAOYSA-N
Molecular Formula C53H90O22
Exact Mass 1078.592 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-Fiocruz-FIO00104
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T16:34:48.721010
MetadataModified 2024-01-11T16:34:48.891884
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
HMDB0034996 Human Metabolome Database
60030844 NMRShiftDB
11021-13-9 ACToR
PD065129 ProbesDrugs
432450 PubChem
The data in this table is sourced from UniChem at EBI.