Dataset

Pioglitazone; LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-WANA216003B085PH 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
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-WANA216003B085PH
Version
Author
Maintainer
Language
MetadataPublished 2023-08-12
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
    CHEMBL595 ChEMBL
    2694 Guide to Pharmacology
    8228 ChEBI
    DB01132 DrugBank
    C07675 KEGG Ligand
    22395182 PubChem: Drugs of the Future
    PIOGLITAZONE DailyMed
    J277.717G Nikkaji
    DUETACT rxnorm
    PIOGLITAZONE rxnorm
    PIOGLITAZONE HYDROCHLORIDE rxnorm
    PIOGLITAZONE clinicaltrials
    PIOGLITAZONE HYDROCHLORIDE clinicaltrials
    AD-4833 clinicaltrials
    ACTOS clinicaltrials
    GLUSTIN clinicaltrials
    U-72107A clinicaltrials
    ZACTOS clinicaltrials
    STR-001 clinicaltrials
    HY-13956 MedChemExpress
    X4OV71U42S FDA SRS
    DTXSID3037129 EPA CompTox Dashboard
    2179 DrugCentral
    ACTOS rxnorm
    CB71177472 ChemicalBook
    50103521 BindingDB
    4829 PubChem
    PD009788 ProbesDrugs
    pioglitazone Atlas
    LSM-1592 LINCS
    14828061 PubChem: Thomson Pharma
    105355-27-9 ACToR
    PA450970 PharmGKB
    pioglitazone-actos Selleck
    111025-46-8 ACToR
    902308 eMolecules
    pioglitazone DailyMed
    HMDB0015264 Human Metabolome Database
    6203 Brenda
    83443 Brenda
    MCULE-2346786634 Mcule
    SCHEMBL4121 SureChEMBL
    The data in this table is sourced from UniChem at EBI.