Dataset

Galanthamine; LC-ESI-QQQ; MS; [M+H]+

This MassBank record with Accession MSBNK-RIKEN_NPDepo-CB000082 contains the MS mass spectrum of Galanthamine with the InChIkey ASUTZQLVASHGKV-JDFRZJQESA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
SMILES COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C)C2
InChI Key ASUTZQLVASHGKV-JDFRZJQESA-N
Molecular Formula C17H21NO3
Exact Mass 287.362 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-RIKEN_NPDepo-CB000082
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MetadataPublished 2018-04-04
Related Molecule
  • (1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00674 drugbank
    GNT rcsb_pdb
    CHEMBL659 chembl
    2577 surechembl
    29379520 surechembl
    9651 pubchem
    0D3Q044KCA fdasrs
    1T835Z585R fdasrs
    GNT - Ideal conformer pdbe
    PD001452 probes_and_drugs
    SIBHAM CCDC
    138752 brenda
    1391 brenda
    17243 brenda
    25855 brenda
    70637 brenda
    CHEBI:42944 chebi
    HMDB0014812 hmdb
    Molport-002-521-885 molport
    1272 drugcentral
    10404 bindingdb
    The data in this table is sourced from UniChem at EBI.