Pentobarbital
- Formula: C11H18N2O3
- Molecular weight: 226.2722
- IUPAC Standard InChIKey: WEXRUCMBJFQVBZ-UHFFFAOYSA-N
- CAS Registry Number: 76-74-4
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methylbutyl)-; Barbituric acid, 5-ethyl-5-(1-methylbutyl)-; Ethaminal; Mebubarbital; Nembutal; Neodorm; Pentabarbitone; Pentobarbitone; Pentobarbituric acid; Rivadorm; 5-Ethyl-5-(sec-pentyl)barbituric acid; 5-Ethyl-5-(1-methylbutyl)barbituric acid; Dorsital; Mebumal; Nebralin; Neodorm (new); Pentabarbital; 5-Ethyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione; 5-Ethyl-5-(1-methylbutyl)malonylurea; Pentobarbiturate; (.+/-.))-Pentobarbital; NSC 28708; Phetobarbitone; component of Emesert; component of Synirin; Ethyl-propylmethylcarbinylbarbituric acid; 5-Ethyl-5-(1-methylbutyl)barbituric acidcid; Thiopental, O-analog
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Van Den Dool and Kratz RI, non-polar column, temperature ramp
Go To: Top, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SPB-1 | CBP-1 | DB-1 | Methyl Silicone | 5 % Phenyl methyl siloxane |
Column length (m) | 30. | 12. | 15. | 12. | 12. |
Carrier gas | He | N2 | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.75 | 0.53 | 0.32 | 0.2 | 0.2 |
Phase thickness (μm) | 1.0 | 0.25 | 0.33 | 0.33 | |
Tstart (C) | 160. | 120. | 120. | 50. | 50. |
Tend (C) | 280. | 250. | 280. | 300. | 300. |
Heat rate (K/min) | 10. | 6. | 8. | 20. | 20. |
Initial hold (min) | 1. | 1. | |||
Final hold (min) | 12. | 5. | 3. | 3. | |
I | 1740. | 1711. | 1716. | 1711.5 | 1761.0 |
Reference | Christ, Noomano, et al., 1988 | Oyama, Sano, et al., 1987 | Perrigo, Peel, et al., 1985 | Newton and Foery, 1984 | Newton and Foery, 1984 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Packed |
---|---|---|
Active phase | DB-1 | SE-30 |
Column length (m) | 15. | 1.8 |
Carrier gas | He | N2 |
Substrate | Chromosorb W | |
Column diameter (mm) | 0.25 | |
Phase thickness (μm) | 0.25 | |
Tstart (C) | 120. | 130. |
Tend (C) | 280. | 290. |
Heat rate (K/min) | 8. | 8. |
Initial hold (min) | 2. | |
Final hold (min) | 5. | 8. |
I | 1716. | 1740. |
Reference | Perrigo, Ballantyne, et al., 1984 | Perrigo and Peel, 1981 |
Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Christ, Noomano, et al., 1988
Christ, D.W.; Noomano, P.; Rosas, M.; Rhone, D.,
Retention indices by wide-bore capillary gas chromatography with nitrogen-phosphorus detection,
J. Anal. Toxicol., 1988, 12, 2, 84-88, https://doi.org/10.1093/jat/12.2.84
. [all data]
Oyama, Sano, et al., 1987
Oyama, N.; Sano, T.; Syoyama, M.; Maeda, K.,
Studies on systematic analysis of poisonous compounds in forensic chemistry. II. Application of capillary column gas chromatography to substance identification by means of retention indices,
Eisei Kagaku, 1987, 33, 5, 342-348, https://doi.org/10.1248/jhs1956.33.342
. [all data]
Perrigo, Peel, et al., 1985
Perrigo, B.J.; Peel, H.W.; Ballantyne, D.J.,
Use of Dual-Column Fused-Silica Capillary Gas Chromatography in Combination with Detector Response Factors for Analytical Toxicology.,
J. Chromatogr., 1985, 341, 81-88, https://doi.org/10.1016/S0378-4347(00)84011-6
. [all data]
Newton and Foery, 1984
Newton, B.; Foery, R.F.,
Retention indices and dual capillary gas chromatography for rapid identification of sedative hypnotic drugs in emergency toxicology,
J. Anal. Toxicol., 1984, 8, 3, 129-134, https://doi.org/10.1093/jat/8.3.129
. [all data]
Perrigo, Ballantyne, et al., 1984
Perrigo, B.J.; Ballantyne, D.J.; Peel, H.W.,
Condierations in developing a data base for drugs on a DBI capillary column,
J. Can. Soc. Forensic Sci., 1984, 17, 2, 41-49, https://doi.org/10.1080/00085030.1984.10757360
. [all data]
Perrigo and Peel, 1981
Perrigo, B.J.; Peel, H.W.,
The use of retention indices and temperature-programmed gas chromatography in analytical toxicology,
J. Chromatogr. Sci., 1981, 19, 5, 219-226, https://doi.org/10.1093/chromsci/19.5.219
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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