| SpectraBase Spectrum ID |
5865epdnJKW |
| Name |
Nimesulide |
| CAS Registry Number |
51803-78-2 |
| Collision Energy |
25 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
308.046692663 u |
| Formula |
C13H12N2O5S |
| InChI |
InChI=1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3 |
| InChIKey |
HYWYRSMBCFDLJT-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
N |
| Ionization Type |
ESI- |
| Molecular Weight |
308.308 g/mol |
| Nominal Mass |
308 u |
| Precursor Ion |
[M-H]- |
| Precursor m/z |
307.039 |
| SMILES |
N(S(=O)(=O)C)C1=C(OC2=CC=CC=C2)C=C(N(=O)=O)C=C1 |
| Selected Ion Charge |
-1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
N-(4-nitro-2-phenoxyphenyl)methanesulfonamide |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_-_100.4 |
