| SpectraBase Spectrum ID |
9Jr1HSAHZo |
| Name |
Parecoxib MS3_2 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-245.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C16H12NO/c1-12-15(13-8-4-2-5-9-13)16(17-18-12)14-10-6-3-7-11-14/h3-11H,1H3/q+1 |
| InChIKey |
UHRIMPVAJMARAT-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[C+]1=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 |
