| SpectraBase Spectrum ID |
4cNAD6B9f9p |
| Name |
Diclofenac-M (di-HO-) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 [email protected] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C14H11Cl2NO4 |
| InChI |
InChI=1S/C14H11Cl2NO4/c15-8-6-10(18)14(21)12(16)13(8)17-9-4-2-1-3-7(9)5-11(19)20/h1-4,6,17-18,21H,5H2,(H,19,20) |
| InChIKey |
WCLLGWABZKZLLL-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(C=1C(=C(C(=CC1Cl)O)O)Cl)C=1C(CC(=O)O)=CC=CC1 |
| 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 |
ms2 |
| Technique |
ITMS |
