| SpectraBase Spectrum ID |
JHh0Qny5weU |
| Name |
Etoricoxib-M (6-HOOC-glucuronide) MS3_2 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [90.00-385.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C18H12ClN2O3S/c1-25(23,24)16-6-3-12(4-7-16)17-8-14(19)10-21-18(17)13-2-5-15(11-22)20-9-13/h2-10H,1H3/q+1 |
| InChIKey |
QLIZVQKXAOCWAS-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[C+](C1=NC=C(C=C1)C=1C(=CC(=CN1)Cl)C1=CC=C(C=C1)S(=O)(C)=O)=O |
| 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 |
