Dataset

Conessine; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR301620 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 356.598 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-PR301620
Version
Author
Maintainer
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MetadataPublished 2019-03-28
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
    EZ38J9BBDF FDA SRS
    16050811 PubChem: Thomson Pharma
    441082 PubChem
    546-06-5 ACToR
    60049193 NMRShiftDB
    PD019682 ProbesDrugs
    30512999 eMolecules
    8315430 eMolecules
    194596 Brenda
    MTBLC27965 Metabolights
    ZINC000004097188 ZINC
    SCHEMBL791146 SureChEMBL
    CHEMBL191703 ChEMBL
    27965 ChEBI
    C06545 KEGG Ligand
    8981 Guide to Pharmacology
    DTXSID6046000 EPA CompTox Dashboard
    27193 BindingDB
    SINDUP CCDC
    J6.427K Nikkaji
    CB8139148 ChemicalBook
    The data in this table is sourced from UniChem at EBI.