| SpectraBase Spectrum ID |
JZ6aNfzF2PA |
| Name |
Barbital |
| CAS Registry Number |
57-44-3 |
| Collision Energy |
25 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
184.084792251 u |
| Formula |
C8H12N2O3 |
| InChI |
InChI=1S/C8H12N2O3/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13) |
| InChIKey |
FTOAOBMCPZCFFF-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
N |
| Ionization Type |
ESI- |
| Molecular Weight |
184.195 g/mol |
| Nominal Mass |
184 u |
| Precursor Ion |
[M-H]- |
| Precursor m/z |
183.077 |
| SMILES |
N1C(=O)NC(=O)C(CC)(CC)C1=O |
| Selected Ion Charge |
-1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
sodium 5,5-diethyl-4,6-dioxo-1H-pyrimidin-2-olate |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_-_27.4 |
