Dataset

Conessine; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-NaToxAq-NA001084 contains the MS2 mass spectrum of Conessine with the InChIkey GPLGAQQQNWMVMM-MYAJQUOBSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C24H40N2/c1-16-20-8-9-22-19-7-6-17-14-18(25(3)4)10-12-23(17,2)21(19)11-13-24(20,22)15-26(16)5/h6,16,18-22H,7-15H2,1-5H3/t16-,18-,19+,20+,21-,22-,23-,24-/m0/s1
SMILES C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23CN1C)N(C)C
InChI Key GPLGAQQQNWMVMM-MYAJQUOBSA-N
Molecular Formula C24H40N2
Exact Mass 356.319 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-NaToxAq-NA001084
Version
Author
Maintainer
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MetadataPublished 2019-07-31
Related Molecule
  • (1R,2S,5S,6S,9R,12S,13R,16S)-N,N,6,7,13-pentamethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:27965 chebi
    CHEMBL191703 chembl
    791146 surechembl
    441082 pubchem
    EZ38J9BBDF fdasrs
    DB20644 drugbank
    PD019682 probes_and_drugs
    SINDUP CCDC
    194596 brenda
    Molport-004-955-852 molport
    27193 bindingdb
    The data in this table is sourced from UniChem at EBI.