| SpectraBase Spectrum ID |
ELm7MZjVOm |
| Name |
Sulfpyroxyline |
| CAS Registry Number |
116-42-7 |
| Collision Energy |
20 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
334.098728238 u |
| Formula |
C16H18N2O4S |
| InChI |
InChI=1S/C16H18N2O4S/c1-11(2)22-14-7-3-12(4-8-14)16(19)18-23(20,21)15-9-5-13(17)6-10-15/h3-11H,17H2,1-2H3,(H,18,19) |
| InChIKey |
FBFBRAFXKGRRHI-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
334.390 g/mol |
| Nominal Mass |
334 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
335.106 |
| SMILES |
N(S(C1=CC=C(N)C=C1)(=O)=O)C(=O)C1=CC=C(OC(C)C)C=C1 |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
N-(4-aminophenyl)sulfonyl-4-propan-2-yloxybenzamide |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_893.3 |
