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
    PD002895 probes_and_drugs
    BOMDUC CCDC
    145069 brenda
    145983 brenda
    229835 brenda
    229836 brenda
    4861 brenda
    HMDB0015044 hmdb
    408609 bindingdb
    408629 bindingdb
    408647 bindingdb
    408666 bindingdb
    408685 bindingdb
    413065 bindingdb
    50021094 bindingdb
    50368880 bindingdb
    50371125 bindingdb
    50371126 bindingdb
    50371130 bindingdb
    50405853 bindingdb
    50433732 bindingdb
    50459695 bindingdb
    50496959 bindingdb
    50501822 bindingdb
    50506825 bindingdb
    50522629 bindingdb
    50542740 bindingdb
    50608034 bindingdb
    50724014 bindingdb
    50739592 bindingdb
    50770393 bindingdb
    50773510 bindingdb
    50775165 bindingdb
    50775737 bindingdb
    50777176 bindingdb
    50903199 bindingdb
    50945476 bindingdb
    51032991 bindingdb
    51032994 bindingdb
    51032996 bindingdb
    51033076 bindingdb
    51033078 bindingdb
    51033081 bindingdb
    51033085 bindingdb
    51033089 bindingdb
    51033280 bindingdb
    51033287 bindingdb
    51033289 bindingdb
    51033695 bindingdb
    51033696 bindingdb
    51034286 bindingdb
    51034292 bindingdb
    51034348 bindingdb
    51035908 bindingdb
    51036184 bindingdb
    51036192 bindingdb
    51036198 bindingdb
    51036208 bindingdb
    51036215 bindingdb
    51036216 bindingdb
    51036231 bindingdb
    51036232 bindingdb
    51037651 bindingdb
    51037653 bindingdb
    51037690 bindingdb
    51038772 bindingdb
    51040669 bindingdb
    51079107 bindingdb
    51126275 bindingdb
    51170667 bindingdb
    51180566 bindingdb
    51180573 bindingdb
    51180592 bindingdb
    51180744 bindingdb
    51180756 bindingdb
    51210743 bindingdb
    51212198 bindingdb
    51236037 bindingdb
    51259930 bindingdb
    51267104 bindingdb
    51267849 bindingdb
    51272623 bindingdb
    51275131 bindingdb
    51301243 bindingdb
    51301247 bindingdb
    51301390 bindingdb
    51301765 bindingdb
    51307728 bindingdb
    51307759 bindingdb
    51322653 bindingdb
    51339305 bindingdb
    51352078 bindingdb
    51373549 bindingdb
    51386134 bindingdb
    51398163 bindingdb
    51407496 bindingdb
    51422908 bindingdb
    51430892 bindingdb
    51437709 bindingdb
    51439735 bindingdb
    51447100 bindingdb
    51454345 bindingdb
    51468810 bindingdb
    51481677 bindingdb
    51486578 bindingdb
    51494093 bindingdb
    51495413 bindingdb
    51497840 bindingdb
    51503921 bindingdb
    51510654 bindingdb
    51533675 bindingdb
    51541944 bindingdb
    Molport-003-804-058 molport
    2346 drugcentral
    The data in this table is sourced from UniChem at EBI.