Acetylpyrazine
- Formula: C6H6N2O
- Molecular weight: 122.1246
- IUPAC Standard InChI: InChI=1S/C6H6N2O/c1-5(9)6-4-7-2-3-8-6/h2-4H,1H3
- IUPAC Standard InChIKey: DBZAKQWXICEWNW-UHFFFAOYSA-N
- CAS Registry Number: 22047-25-2
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Species with the same structure:
- Other names: 2-Acetylpyrazine; Ethanone, 1-pyrazinyl-; Ketone, methyl pyrazinyl; pyrazin-1-ylethan-1-one
- Information on this page:
- Other data available:
- Options:
Van Den Dool and Kratz RI, polar column, custom temperature program
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 | Supelcowax-10 | DB-Wax | Supelcowax-10 | DB-Wax | Supelcowax-10 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | H2 | H2 | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.5 | 0.25 | 0.5 | 0.25 |
| Program | 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) | 40C(5min) => 4C/min => 100C6C/min => 136C => 3C/min => 220C (10min) | 40C(2min) => 40C/min => 60C(2min) => 5C/min => 240C | 40C(5min) => 4C/min => 100C => 6C/min => 200C | 40C(2min) => 40C/min => 60(2min)C => 5C/min => 240C |
| I | 1639. | 1632. | 1604. | 1636. | 1604. |
| Reference | Bianchi, Careri, et al., 2007 | Escudero, Campo, et al., 2007 | Majcher and Jelen, 2007 | Campo, Ferreira, et al., 2005 | Majcher and Jelén, 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | DB-Wax | FFAP |
| Column length (m) | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | He | He |
| Substrate | ||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.5 | 0.5 | 0.5 | 0.25 |
| Program | 50C => 6C/min => 70C => 4C/min => 150C => 10C/min => 250C | 50C => 6C/min => 70C => 4C/min => 150C => 10C/min => 250C | 50C => 5C/min => 180C => 10C/min => 250C | 40C (2min) => 40C/min => 60C (2min) => 240C (10min) |
| I | 1647. | 1647. | 1656. | 1608. |
| Reference | Pennarun, Prost, et al., 2003 | Pennarun, Prost, et al., 2002 | Sérot, Regost, et al., 2001 | Münch, Hofmann, et al., 1997 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Bianchi, Careri, et al., 2007
Bianchi, F.; Careri, M.; Mangia, A.; Musci, M.,
Retention indices in the analysis of food aroma volatile compounds in temperature-programmed gas chromatography: Database creation and evaluation of precision and robustness,
J. Sep. Sci., 2007, 39, 4, 563-572, https://doi.org/10.1002/jssc.200600393
. [all data]
Escudero, Campo, et al., 2007
Escudero, A.; Campo, E.; Fariña, L.; Cacho, J.; Ferreira, V.,
Analytical Characterization of the Aroma of Five Premium Red Wines. Insights into the Role of Odor Families and the Concept of Fruitiness of Wines,
J. Agric. Food Chem., 2007, 55, 11, 4501-4510, https://doi.org/10.1021/jf0636418
. [all data]
Majcher and Jelen, 2007
Majcher, M.A.; Jelen, H.H.,
Effect of Cysteine and Cystine Addition on Sensory Profile and Potent Odorants of Extruded Potato Snacks,
J. Agric. Food Chem., 2007, 55, 14, 5754-5760, https://doi.org/10.1021/jf0703147
. [all data]
Campo, Ferreira, et al., 2005
Campo, E.; Ferreira, V.; Escudero, A.; Cacho, J.,
Prediction of the wine sensory properties related to grape variety from dynamic-headspace gas chromatography-olfactometry data,
J. Agric. Food Chem., 2005, 53, 14, 5682-5690, https://doi.org/10.1021/jf047870a
. [all data]
Majcher and Jelén, 2005
Majcher, M.A.; Jelén, H.H.,
Identification of potent odorants formed during the preparation of extruded potato snacks,
J. Agric. Food Chem., 2005, 53, 16, 6432-6437, https://doi.org/10.1021/jf050412x
. [all data]
Pennarun, Prost, et al., 2003
Pennarun, A.-L.; Prost, C.; Haure, J.; Demaimay, M.,
Comparison of two microalgal diets. 2. Influence on odorant composition and organoleptic qualities of raw oysters (Crassostrea gigas),
J. Agric. Food Chem., 2003, 51, 7, 2011-2018, https://doi.org/10.1021/jf020549c
. [all data]
Pennarun, Prost, et al., 2002
Pennarun, A.L.; Prost, C.; Demaimay, M.,
Identification and origin of the character-impact compounds of raw oyster Crassostrea gigas,
J. Sci. Food Agric., 2002, 82, 14, 1652-1660, https://doi.org/10.1002/jsfa.1236
. [all data]
Sérot, Regost, et al., 2001
Sérot, T.; Regost, C.; Prost, C.; Robin, J.; Arzel, J.,
Effect of dietary lipid sources on odour-active compounds in muscle of turbot (Psetta maxima),
J. Sci. Food Agric., 2001, 81, 14, 1339-1346, https://doi.org/10.1002/jsfa.950
. [all data]
Münch, Hofmann, et al., 1997
Münch, P.; Hofmann, T.; Schieberle, P.,
Comparison of key odorants generated by thermal treatment of commercial and self-prepared yeast extracts: influence of the amino acid composition on odorant formation,
J. Agric. Food Chem., 1997, 45, 4, 1338-1344, https://doi.org/10.1021/jf960658p
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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