| SpectraBase Spectrum ID |
DPmhTPac323 |
| Name |
Amobarbital |
| CAS Registry Number |
57-43-2 |
| Collision Energy |
20 eV |
| Comments |
Compound with almost identical fragmentation pattern: pentobarbital, C11H18N2O3, 76-74-4 |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
226.131742445 u |
| Formula |
C11H18N2O3 |
| InChI |
InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16) |
| InChIKey |
WEXRUCMBJFQVBZ-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
N |
| Ionization Type |
ESI- |
| Molecular Weight |
226.276 g/mol |
| Nominal Mass |
226 u |
| Precursor Ion |
[M-H]- |
| Precursor m/z |
225.124 |
| SMILES |
N1C(=O)NC(=O)C(C(CCC)C)(CC)C1=O |
| Selected Ion Charge |
-1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
5-ethyl-5-isopentyl-1,3-diazinane-2,4,6-trione |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_-_21.3 |
