Dataset

Oxybutynin; LC-ESI-Q; MS; POS; 45 V

This MassBank record with Accession MSBNK-Waters-WA002619 contains the MS mass spectrum of Oxybutynin with the InChIkey XIQVNETUBQGFHX-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3
SMILES CCN(CC)CC#CCOC(=O)C(O)(C(C2)CCCC2)c(c1)cccc1
InChI Key XIQVNETUBQGFHX-UHFFFAOYSA-N
Molecular Formula C22H31NO3
Exact Mass 357.230 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-WA002619
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    C07360 KEGG Ligand
    CHEMBL1231 ChEMBL
    359 Guide to Pharmacology
    50165019 BindingDB
    J8.038A Nikkaji
    OXYBUTYNIN rxnorm
    GELNIQUE rxnorm
    OXYBUTYNIN CHLORIDE rxnorm
    DITROPAN rxnorm
    OXYTROL rxnorm
    MJ 4309-1 clinicaltrials
    MJ-4309-1 clinicaltrials
    OXYTROL clinicaltrials
    POLLAKISU clinicaltrials
    HY-B0267 MedChemExpress
    OXYBUTYNIN clinicaltrials
    OXYBUTYNIN CHLORIDE clinicaltrials
    OXYBUTYNIN HYDROCHLORIDE clinicaltrials
    K9P6MC7092 FDA SRS
    MCULE-3407007074 Mcule
    DTXSID0023406 EPA CompTox Dashboard
    2028 DrugCentral
    OXYBUTYNIN DailyMed
    7856 ChEBI
    144551 ChEBI
    CB42675235 ChemicalBook
    CB4587899 ChemicalBook
    DB01062 DrugBank
    14778874 PubChem: Thomson Pharma
    4634 PubChem
    PD009572 ProbesDrugs
    LSM-5111 LINCS
    PA164746030 PharmGKB
    Oxybutynin(Ditropan) Selleck
    SCHEMBL2992 SureChEMBL
    5633-20-5 ACToR
    902251 eMolecules
    CB2767266 ChemicalBook
    oxybutynin DailyMed
    HMDB0015195 Human Metabolome Database
    16527 Brenda
    The data in this table is sourced from UniChem at EBI.