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
  • 2-piperidin-1-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01148 drugbank
    CHEBI:5088 chebi
    HWL rcsb_pdb
    CHEMBL1493 chembl
    25801 surechembl
    29421720 surechembl
    3354 pubchem
    3E74Y80MEY fdasrs
    HWL pdbe
    7187 gtopdb
    PD009777 probes_and_drugs
    HMDB0015279 hmdb
    DTXSID3023053 comptox
    NCT00440739 clinicaltrials
    NCT00440739 clinicaltrials
    1175 drugcentral
    The data in this table is sourced from UniChem at EBI.