| SpectraBase Spectrum ID |
99JOEtl39E |
| Name |
Parecoxib MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [70.00-310.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C16H12NO3S/c1-11-15(12-7-9-14(10-8-12)21(18)19)16(17-20-11)13-5-3-2-4-6-13/h2-10H,1H3/q+1 |
| InChIKey |
FNPZSPZWPQUBGK-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
C1([S+](=O)=O)=CC=C(C=C1)C1=C(ON=C1C1=CC=CC=C1)C |
| 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: Parent |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
