Dataset

Pioglitazone; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU220304 contains the MS2 mass spectrum of Pioglitazone with the InChIkey HYAFETHFCAUJAY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)
SMILES CCC1=CN=C(CCOC2=CC=C(CC3SC(=O)NC3=O)C=C2)C=C1
InChI Key HYAFETHFCAUJAY-UHFFFAOYSA-N
Molecular Formula C19H20N2O3S
Exact Mass 356.119 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-Athens_Univ-AU220304
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MetadataPublished 2019-05-30
Related Molecule
  • 5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01132 drugbank
    CHEBI:8228 chebi
    CHEMBL595 chembl
    29364546 surechembl
    4121 surechembl
    4829 pubchem
    X4OV71U42S fdasrs
    2694 gtopdb
    PD009788 probes_and_drugs
    191131 brenda
    6203 brenda
    83443 brenda
    HMDB0015264 hmdb
    Molport-002-508-211 molport
    2179 drugcentral
    50103521 bindingdb
    724000 bindingdb
    The data in this table is sourced from UniChem at EBI.