| SpectraBase Spectrum ID |
47XDo3lwgCr |
| Name |
Thioacetazone |
| CAS Registry Number |
104-06-3 |
| Collision Energy |
20 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
236.073182195 u |
| Formula |
C10H12N4OS |
| InChI |
InChI=1S/C10H12N4OS/c1-7(15)13-9-4-2-8(3-5-9)6-12-14-10(11)16/h2-6H,1H3,(H,13,15)(H3,11,14,16)/b12-6+ |
| InChIKey |
SRVJKTDHMYAMHA-WUXMJOGZSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
236.293 g/mol |
| Nominal Mass |
236 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
237.081 |
| SMILES |
N(\N=C\C1=CC=C(NC(=O)C)C=C1)C(=S)N |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
N-[4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl]acetamide |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_246.3 |
