| SpectraBase Spectrum ID |
CvKJwgESZL |
| Name |
Thionalide |
| CAS Registry Number |
93-42-5 |
| Collision Energy |
45 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
217.056135151 u |
| Formula |
C12H11NOS |
| InChI |
InChI=1S/C12H11NOS/c14-12(8-15)13-11-6-5-9-3-1-2-4-10(9)7-11/h1-7,15H,8H2,(H,13,14) |
| InChIKey |
SGMHGVVTMOGJMX-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
217.286 g/mol |
| Nominal Mass |
217 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
218.064 |
| SMILES |
SCC(=O)NC1=CC=2C(C=C1)=CC=CC2 |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
N-naphthalen-2-yl-2-sulfanylacetamide |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_944.8 |
