Dataset

Quinidine; LC-ESI-Q; MS; POS; 75 V

This MassBank record with Accession MSBNK-Waters-WA000285 contains the MS mass spectrum of Quinidine with the InChIkey LOUPRKONTZGTKE-LHHVKLHASA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1
SMILES COc(c4)cc(c3c4)c(ccn3)C(O)C([H])(C1)N(C2)CC(C=C)C(C2)1
InChI Key LOUPRKONTZGTKE-LHHVKLHASA-N
Molecular Formula C20H24N2O2
Exact Mass 324.184 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000285
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00908 drugbank
    CHEBI:28593 chebi
    QDN rcsb_pdb
    CHEMBL1294 chembl
    15943 surechembl
    15944 surechembl
    29373489 surechembl
    441074 pubchem
    ITX08688JL fdasrs
    QDN pdbe
    PD002895 probes_and_drugs
    BOMDUC CCDC
    145069 brenda
    145983 brenda
    229835 brenda
    229836 brenda
    4861 brenda
    HMDB0015044 hmdb
    Molport-003-804-058 molport
    2346 drugcentral
    50121975 bindingdb
    The data in this table is sourced from UniChem at EBI.