Dataset

Gelsevirine; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR300368 contains the MS2 mass spectrum of Gelsevirine with the InChIkey SSSCMFCWHWCCEH-MTYPYGCKSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H24N2O3/c1-4-20-11-22(2)17-12-10-26-16(9-14(12)20)21(18(17)20)13-7-5-6-8-15(13)23(25-3)19(21)24/h4-8,12,14,16-18H,1,9-11H2,2-3H3/t12-,14+,16+,17+,18-,20-,21-/m0/s1
SMILES CON1C(=O)[C@@]2([C@H]3[C@H]4[C@H]5CO[C@@H]2C[C@H]5[C@@]3(CN4C)C=C)C2=CC=CC=C12
InChI Key SSSCMFCWHWCCEH-MTYPYGCKSA-N
Molecular Formula C21H24N2O3
Exact Mass 352.434 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-PR300368
Version
Author
Maintainer
Language
MetadataPublished 2019-03-28
Related Molecule
  • (1R,2S,5S,6S,7S,8R,11S)-2-ethenyl-1'-methoxy-4-methylspiro[9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane-7,3'-indole]-2'-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL515314 chembl
    14217344 pubchem
    PD167261 probes_and_drugs
    Molport-035-705-621 molport
    The data in this table is sourced from UniChem at EBI.