Dataset

FLAVOXATE; ESI-QTOF; MS2; CE 23 eV; [M+H]+

This MassBank record with Accession MSBNK-UPAO-UPA00001 contains the MS2 mass spectrum of FLAVOXATE with the InChIkey SPIUTQOUKAMGCX-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C24H25NO4/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25/h2,4-5,8-12H,3,6-7,13-16H2,1H3
SMILES C(C4)CCN(C4)CCOC(=O)c(c3)c(O1)c(cc3)C(=O)C(C)=C(c(c2)cccc2)1
InChI Key SPIUTQOUKAMGCX-UHFFFAOYSA-N
Molecular Formula C24H25NO4
Exact Mass 391.178 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UPAO-UPA00001
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MetadataPublished 2016-01-19
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    736698 eMolecules
    3354 PubChem
    PD009777 ProbesDrugs
    HWL PDBe
    3E74Y80MEY FDA SRS
    LSM-3050 LINCS
    SCHEMBL25801 SureChEMBL
    15301-69-6 ACToR
    14780778 PubChem: Thomson Pharma
    20208561 NMRShiftDB
    flavoxate DailyMed
    ZINC000000608382 ZINC
    PA164781386 PharmGKB
    HMDB0015279 Human Metabolome Database
    CHEMBL1493 ChEMBL
    C07809 KEGG Ligand
    DB01148 DrugBank
    5088 ChEBI
    CB2341499 ChemicalBook
    FLAVOXATE rxnorm
    FLAVOXATE HYDROCHLORIDE rxnorm
    BLADURIL clinicaltrials
    FLAVOXATE clinicaltrials
    URISPAS clinicaltrials
    FLAVOXATE DailyMed
    DTXSID3023053 EPA CompTox Dashboard
    1175 DrugCentral
    7187 Guide to Pharmacology
    J8.545F Nikkaji
    FLAVOXATE HYDROCHLORIDE clinicaltrials
    The data in this table is sourced from UniChem at EBI.