| SpectraBase Spectrum ID |
8ocnYI9S2y |
| Name |
Diclofensine-M (N-demethyl-glucuronide) MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [70.00-320.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C16H16Cl2NO |
| InChI |
InChI=1S/C16H15Cl2NO/c1-20-12-3-4-13-11(6-12)8-19-9-14(13)10-2-5-15(17)16(18)7-10/h2-7,14,19H,8-9H2,1H3/p+1 |
| InChIKey |
XAZDWYUYONZKJN-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[NH2+]1CC2=C(C(C1)C1=CC(=C(C=C1)Cl)Cl)C=CC(=C2)OC |
| 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 |
