Dataset

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

This MassBank record with Accession MSBNK-RIKEN_NPDepo-CB000177 contains the MS mass spectrum of Napelline with the InChIkey AZAZKLKDEOMJBJ-LVXADFIOSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H33NO3/c1-4-23-10-20(3)6-5-17(25)22-15(20)7-13(18(22)23)21-9-12(11(2)19(21)26)14(24)8-16(21)22/h12-19,24-26H,2,4-10H2,1,3H3/t12-,13-,14-,15?,16?,17-,18+,19+,20-,21-,22-/m0/s1
SMILES C=C1[C@@H]2C[C@]3(C(C[C@@H]2O)[C@]24C5C[C@H]3[C@H]2N(CC)C[C@]5(C)CC[C@@H]4O)[C@@H]1O
InChI Key AZAZKLKDEOMJBJ-LVXADFIOSA-N
Molecular Formula C22H33NO3
Exact Mass 359.513 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-CB000177
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Author
Maintainer
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MetadataPublished 2018-04-04
Related Molecule
  • (1R,4S,5S,7R,8R,9R,10R,13R,16S)-11-ethyl-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecane-4,7,16-triol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    139291788 pubchem
    The data in this table is sourced from UniChem at EBI.