| SpectraBase Spectrum ID |
mvLyQYZf3Q |
| Name |
Heptabarbital |
| CAS Registry Number |
509-86-4 |
| Collision Energy |
20 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
250.131742445 u |
| Formula |
C13H18N2O3 |
| InChI |
InChI=1S/C13H18N2O3/c1-2-13(9-7-5-3-4-6-8-9)10(16)14-12(18)15-11(13)17/h7H,2-6,8H2,1H3,(H2,14,15,16,17,18) |
| InChIKey |
PAZQYDJGLKSCSI-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
N |
| Ionization Type |
ESI- |
| Molecular Weight |
250.298 g/mol |
| Nominal Mass |
250 u |
| Precursor Ion |
[M-H]- |
| Precursor m/z |
249.124 |
| SMILES |
N1C(=O)NC(=O)C(C=2CCCCCC2)(CC)C1=O |
| Selected Ion Charge |
-1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
5-(cyclohepten-1-yl)-5-ethyl-1,3-diazinane-2,4,6-trione |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_-_74.3 |
