| SpectraBase Spectrum ID |
GYE587ppznl |
| Name |
Diclofenac-M (di-HO-glucuronide) MS3_2 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [75.00-320.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C14H9Cl2NO3/c15-9-7-11(19)14(20)12(16)13(9)17-10-4-2-1-3-8(10)5-6-18/h1-4,7,17H,5H2,(H-,19,20)/p+1 |
| InChIKey |
FAONUTKCFUUFSL-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(C=1C(C[C+]=O)=CC=CC1)C1=C(C=C(C(=C1Cl)O)O)Cl |
| 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 |
