Dataset

Cinchonine; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR300880 contains the MS2 mass spectrum of Cinchonine with the InChIkey KMPWYEUPVWOPIM-QAMTZSDWSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14-,18+,19-/m0/s1
SMILES C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](C3=CC=NC4=CC=CC=C34)O
InChI Key KMPWYEUPVWOPIM-QAMTZSDWSA-N
Molecular Formula C19H22N2O
Exact Mass 294.398 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-PR300880
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Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • (S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:27509 chebi
    CHEMBL588619 chembl
    158394 surechembl
    158395 surechembl
    29364855 surechembl
    90454 pubchem
    V43X79NZCD fdasrs
    PD046021 probes_and_drugs
    CINCHO CCDC
    Molport-001-742-609 molport
    50370411 bindingdb
    The data in this table is sourced from UniChem at EBI.