Dataset

Conessine

This MassBank record with Accession MSBNK-RIKEN-PR301628 contains the MS2 mass spectrum of Conessine with the InChIkey GPLGAQQQNWMVMM-MYAJQUOBSA-N.

Chemical Info

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-PR301628
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:08:58.471628
MetadataModified 2025-02-09T18:28:30.235184
MetadataPublished 2019-03-28
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.