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
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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
    441074 PubChem
    PD002895 ProbesDrugs
    14899514 PubChem: Thomson Pharma
    LSM-3325 LINCS
    ITX08688JL FDA SRS
    29549620 eMolecules
    489570 eMolecules
    30781683 eMolecules
    LSM-46038 LINCS
    quinidine DailyMed
    ZINC000003831405 ZINC
    PA451209 PharmGKB
    MTBLC28593 Metabolights
    145983 Brenda
    4861 Brenda
    145069 Brenda
    HMDB0015044 Human Metabolome Database
    SCHEMBL15943 SureChEMBL
    CHEMBL1294 ChEMBL
    28593 ChEBI
    SAM002264644 NIH Clinical Collection
    DB00908 DrugBank
    40248436 NMRShiftDB
    QUINIDINE SULFATE rxnorm
    QUINIDINE rxnorm
    QUINIDINE GLUCONATE rxnorm
    QUINIDINE SULFATE clinicaltrials
    QUINORA clinicaltrials
    QUINIDEX clinicaltrials
    QUINIDEX EXTENTABS clinicaltrials
    QUINIDINE GLUCONATE clinicaltrials
    QUINAGLUTE clinicaltrials
    DURAQUIN clinicaltrials
    QUINIDINE clinicaltrials
    CIN-QUIN clinicaltrials
    HY-B1751 MedChemExpress
    SCHEMBL17537608 SureChEMBL
    MCULE-7178915526 Mcule
    DTXSID4023549 EPA CompTox Dashboard
    2346 DrugCentral
    2342 Guide to Pharmacology
    QDN PDBe
    BOMDUC CCDC
    50121975 BindingDB
    229835 Brenda
    229836 Brenda
    QUINIDINE DailyMed
    The data in this table is sourced from UniChem at EBI.