| SpectraBase Spectrum ID |
5BxyVh8gGVx |
| Name |
Pioglitazone-M (HO-alkyl-glucuronide) MS3_2 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [85.00-370.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C19H18N2O3S/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/h2-8,12,17H,1,9-11H2,(H,21,22,23)/p+1 |
| InChIKey |
CUZSSQRDPQYIQR-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[NH+]=1C=C(C=CC1CCOC=1C=CC(CC2SC(NC2=O)=O)=CC1)C=C |
| 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 |
