Dataset

Vincanidine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+

This MassBank record with Accession MSBNK-RIKEN_NPDepo-NGA00302 contains the MS2 mass spectrum of Vincanidine with the InChIkey JDOFCMASVRMYJU-PCKYSSEZSA-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/CN2CCC34C(=C(C=O)[C@H]1C[C@H]23)Nc1c(O)cccc14
InChI Key JDOFCMASVRMYJU-PCKYSSEZSA-N
Molecular Formula C19H20N2O2
Exact Mass 308.384 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-NGA00302
Version
Author
Maintainer
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MetadataPublished 2018-04-04
Related Molecule
  • (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
    44654933 PubChem
    The data in this table is sourced from UniChem at EBI.