| SpectraBase Spectrum ID |
2Sl0q4X4M05 |
| Name |
Butalbital |
| CAS Registry Number |
77-26-9 |
| Collision Energy |
10 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
224.116092380 u |
| Formula |
C11H16N2O3 |
| InChI |
InChI=1S/C11H16N2O3/c1-4-5-11(6-7(2)3)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16) |
| InChIKey |
UZVHFVZFNXBMQJ-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
N |
| Ionization Type |
ESI- |
| Molecular Weight |
224.260 g/mol |
| Nominal Mass |
224 u |
| Precursor Ion |
[M-H]- |
| Precursor m/z |
223.109 |
| SMILES |
N1C(=O)NC(=O)C(CC(C)C)(CC=C)C1=O |
| Selected Ion Charge |
-1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
5-(2-methylpropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_-_36.1 |
