| SpectraBase Spectrum ID |
97IezEmg9fK |
| Name |
Propylthiouracil |
| CAS Registry Number |
51-52-5 |
| Collision Energy |
25 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
170.051384123 u |
| Formula |
C7H10N2OS |
| InChI |
InChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10,11) |
| InChIKey |
KNAHARQHSZJURB-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
170.230 g/mol |
| Nominal Mass |
170 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
171.059 |
| SMILES |
N1C(=S)NC(=O)C=C1CCC |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
6-propyl-2-sulfanylidene-1H-pyrimidin-4-one |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_808.4 |
