Dataset

Sophocarpine; LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-NaToxAq-NA002409 contains the MS2 mass spectrum of Sophocarpine with the InChIkey AAGFPTSOPGCENQ-JLNYLFASSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H22N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h1,7,11-13,15H,2-6,8-10H2/t11-,12+,13+,15-/m0/s1
SMILES C1C[C@H]2CN3[C@H](CC=CC3=O)[C@@H]4[C@H]2N(C1)CCC4
InChI Key AAGFPTSOPGCENQ-JLNYLFASSA-N
Molecular Formula C15H22N2O
Exact Mass 246.173 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-NaToxAq-NA002409
Version
Author
Maintainer
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MetadataPublished 2020-02-21
Related Molecule
  • (1R,2R,9S,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:228910 chebi
    CHEMBL377725 chembl
    25920247 surechembl
    115269 pubchem
    X9X8U6P2NP fdasrs
    PD071627 probes_and_drugs
    TEMWER CCDC
    Molport-002-507-290 molport
    The data in this table is sourced from UniChem at EBI.