Dataset

Gelsemine

This MassBank record with Accession MSBNK-RIKEN-PR308861 contains the MS2 mass spectrum of Gelsemine with the InChIkey NFYYATWFXNPTRM-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H22N2O2/c1-3-19-10-22(2)16-11-9-24-15(8-13(11)19)20(17(16)19)12-6-4-5-7-14(12)21-18(20)23/h3-7,11,13,15-17H,1,8-10H2,2H3,(H,21,23)
SMILES CN1CC2(C=C)C3CC4OCC3C1C2C41C(=O)NC2=C1C=CC=C2
InChI Key NFYYATWFXNPTRM-UHFFFAOYSA-N
Molecular Formula C20H22N2O2
Exact Mass 322.408 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-PR308861
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:44:37.542735
MetadataModified 2025-02-09T18:39:06.363539
MetadataPublished 2019-03-28
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL4279911 SureChEMBL
279057 PubChem
60065869 NMRShiftDB
PD070585 ProbesDrugs
6208823 eMolecules
181110 ChEBI
509-15-9 ACToR
15420969 PubChem: Thomson Pharma
CHEMBL1979576 ChEMBL
HMDB0252666 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.