| SpectraBase Spectrum ID |
3LBNg3Dkp9v |
| Name |
Pioglitazone-M (HO-alkyl-glucuronide) MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [90.00-385.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C19H20N2O4S |
| InChI |
InChI=1S/C19H20N2O4S/c22-9-7-14-1-4-15(20-12-14)8-10-25-16-5-2-13(3-6-16)11-17-18(23)21-19(24)26-17/h1-6,12,17,22H,7-11H2,(H,21,23,24) |
| InChIKey |
TUXGNBJVZUQUKV-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N1C(SC(CC=2C=CC(OCCC3=CC=C(CCO)C=N3)=CC2)C1=O)=O |
| Sample Comments |
The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database. |
| Sample Description |
Analyte Type: Metabolite |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
