Dataset

Febuxostat; ESI-QTOF; MS2; CE: 40; [M-H]-

This MassBank record with Accession MSBNK-EPA-ENTACT_AGILENT002185 contains the MS2 mass spectrum of Febuxostat with the InChIkey BQSJTQLCZDPROO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)
SMILES CC1N=C(SC=1C(O)=O)C1C=C(C#N)C(=CC=1)OCC(C)C
InChI Key BQSJTQLCZDPROO-UHFFFAOYSA-N
Molecular Formula C16H16N2O3S
Exact Mass 316.088 g/mol

Data and Resources

Metadata Information

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License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-EPA-ENTACT_AGILENT002185
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MetadataPublished 2023-09-19
Related Molecule
  • 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.