| SpectraBase Spectrum ID |
HWmyaHVdEqL |
| Name |
Sertraline-M (HO-aryl-glucuronide) MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [70.00-305.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C16H12Cl2O/c17-13-8-3-7-12(16(13)18)11-6-1-4-10-5-2-9-14(19)15(10)11/h2-5,7-9,11H,1,6H2/p+1 |
| InChIKey |
OQAVYFCZHVAWIH-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC1=C2C([CH+]CCC2C=2C(=C(Cl)C=CC2)Cl)=CC=C1 |
| 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 |
