Dataset

Napelline; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR301055 contains the MS2 mass spectrum of Napelline with the InChIkey AZAZKLKDEOMJBJ-BOPAMEKVSA-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 CCN1C[C@]2(C)CC[C@H](O)[C@]34C1[C@H](C[C@H]23)[C@@]12C[C@H]([C@@H](O)C[C@@H]41)C(=C)[C@H]2O
InChI Key AZAZKLKDEOMJBJ-BOPAMEKVSA-N
Molecular Formula C22H33NO3
Exact Mass 359.510 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-PR301055
Version
Author
Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • (1R,2R,4S,5S,7R,8R,9R,13R,16S,17R)-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
    No additional information available for this Dataset.