Dataset

Kopsinine; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR310591 contains the MS2 mass spectrum of Kopsinine with the InChIkey IYLRRIUNGGQRTN-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H26N2O2/c1-25-17(24)15-13-19-7-4-11-23-12-10-20(18(19)23)14-5-2-3-6-16(14)22-21(15,20)9-8-19/h2-3,5-6,15,18,22H,4,7-13H2,1H3
SMILES COC(=O)C1CC23CCCN4CCC5(C24)C2=CC=CC=C2NC15CC3
InChI Key IYLRRIUNGGQRTN-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-PR310591
Version
Author
Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • methyl 2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    573380 PubChem
    MCULE-6899319230 Mcule
    10884415 eMolecules
    15249499 PubChem: Thomson Pharma
    60061943 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.