Dataset

Pseudocopsinine; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR301357 contains the MS2 mass spectrum of Pseudocopsinine with the InChIkey CZLWGXKWXLVFJU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H26N2O2/c1-13-19-8-5-10-23-11-9-20(18(19)23)14-6-3-4-7-16(14)22-21(13,20)15(12-19)17(24)25-2/h3-4,6-7,13,15,18,22H,5,8-12H2,1-2H3
SMILES COC(=O)C1CC23CCCN4CCC5(C24)C2=CC=CC=C2NC15C3C
InChI Key CZLWGXKWXLVFJU-UHFFFAOYSA-N
Molecular Formula C21H26N2O2
Exact Mass 338.451 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-PR301357
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MetadataPublished 2019-03-28
Related Molecule
  • methyl 20-methyl-8,16-diazahexacyclo[10.6.1.19,12.01,9.02,7.016,19]icosa-2,4,6-triene-10-carboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    580313 PubChem
    MCULE-4715489120 Mcule
    CHEMBL4981289 ChEMBL
    10895197 eMolecules
    The data in this table is sourced from UniChem at EBI.