| SpectraBase Spectrum ID |
7Fsy4kqn6si |
| Name |
Diclofenac-M (COOCH3-4-HO-) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 326.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C15H13Cl2NO3 |
| InChI |
InChI=1S/C15H13Cl2NO3/c1-21-14(20)6-9-4-2-3-5-13(9)18-15-11(16)7-10(19)8-12(15)17/h2-5,7-8,18-19H,6H2,1H3 |
| InChIKey |
URJBKZFDJAEMCC-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(C=1C(=CC(=CC1Cl)O)Cl)C=1C(CC(=O)OC)=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 |
