Dataset

Vincanidine; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR300666 contains the MS2 mass spectrum of Vincanidine with the InChIkey JDOFCMASVRMYJU-JYTRXFNOSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H20N2O2/c1-2-11-9-21-7-6-19-14-4-3-5-15(23)17(14)20-18(19)13(10-22)12(11)8-16(19)21/h2-5,10,12,16,20,23H,6-9H2,1H3/b11-2-/t12-,16-,19+/m0/s1
SMILES C\C=C1\CN2CC[C@@]34[C@@H]2C[C@@H]1C(C=O)=C3NC1=C4C=CC=C1O
InChI Key JDOFCMASVRMYJU-JYTRXFNOSA-N
Molecular Formula C19H20N2O2
Exact Mass 308.381 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-PR300666
Version
Author
Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • (1R,11S,12E,17S)-12-ethylidene-6-hydroxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraene-10-carbaldehyde
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    11870645 PubChem
    ZINC000003999136 ZINC
    BEJJAE CCDC
    The data in this table is sourced from UniChem at EBI.