| SpectraBase Spectrum ID |
DPbjm7uOLXt |
| Name |
Thiamazole |
| CAS Registry Number |
60-56-0 |
| Collision Energy |
20 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
114.025169375 u |
| Formula |
C4H6N2S |
| InChI |
InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7) |
| InChIKey |
PMRYVIKBURPHAH-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
114.166 g/mol |
| Nominal Mass |
114 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
115.032 |
| SMILES |
N1C=CN(C1=S)C |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
3-methyl-1H-imidazole-2-thione |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_938.21 |
