Dataset

Ginsenoside F1

This MassBank record with Accession MSBNK-RIKEN-PR304353 contains the MS2 mass spectrum of Ginsenoside F1 with the InChIkey XNGXWSFSJIQMNC-FIYORUNESA-N.

Chemical Info

molecular Image
InChI InChI=1S/C36H62O9/c1-19(2)10-9-13-36(8,45-31-29(43)28(42)27(41)23(18-37)44-31)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(40)32(3,4)30(33)22(39)17-35(24,34)7/h10,20-31,37-43H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,30-,31-,33+,34+,35+,36-/m0/s1
SMILES CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@@]21C
InChI Key XNGXWSFSJIQMNC-FIYORUNESA-N
Molecular Formula C36H62O9
Exact Mass 638.883 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-PR304353
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:40:58.314684
MetadataModified 2024-01-11T20:40:58.484156
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL584011 ChEMBL
HY-N0598 MedChemExpress
MTBLC77150 Metabolights
42359 Brenda
CB41216394 ChemicalBook
77150 Rhea
ZINC000049722871 ZINC
9809542 PubChem
14765613 PubChem: Thomson Pharma
14863417 PubChem: Thomson Pharma
PD063504 ProbesDrugs
J38.859I Nikkaji
77150 ChEBI
The data in this table is sourced from UniChem at EBI.