Dataset

Gelsemine; LC-ESI-QTOF; MS2

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

Chemical Information

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
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MetadataPublished 2019-03-28
Related Molecule
  • 2'-ethenyl-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one
    • 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.