Dataset

Ginsenoside F1

This MassBank record with Accession MSBNK-RIKEN-PR308455 contains the MS2 mass spectrum of Ginsenoside F1 with the InChIkey XNGXWSFSJIQMNC-UHFFFAOYSA-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
SMILES CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC21C
InChI Key XNGXWSFSJIQMNC-UHFFFAOYSA-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-PR308455
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:33:12.894403
MetadataModified 2025-02-09T18:29:52.379080
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
12855923 PubChem
HMDB0039555 Human Metabolome Database
SCHEMBL21297623 SureChEMBL
PD063505 ProbesDrugs
60030816 NMRShiftDB
The data in this table is sourced from UniChem at EBI.