| SpectraBase Spectrum ID |
AmLMmTNEBbt |
| Name |
Protionamide |
| CAS Registry Number |
14222-60-7 |
| Collision Energy |
35 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
180.072119568 u |
| Formula |
C9H12N2S |
| InChI |
InChI=1S/C9H12N2S/c1-2-3-8-6-7(9(10)12)4-5-11-8/h4-6H,2-3H2,1H3,(H2,10,12) |
| InChIKey |
VRDIULHPQTYCLN-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
180.269 g/mol |
| Nominal Mass |
180 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
181.079 |
| SMILES |
NC(=S)C1=CC(=NC=C1)CCC |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
2-propylpyridine-4-carbothioamide |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_813.6 |
