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
View 3d structure (requires JavaScript / HTML 5) - 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:
Normal alkane RI, 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 | HP-Innowax | FFAP | FFAP | DB-Wax | TC-Wax |
| Column length (m) | 15. | 30. | 30. | 30. | 60. |
| Carrier gas | Helium | Nitrogen | N2 | H2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.50 | 0.50 | 0.5 | 0.5 | 0.5 |
| Tstart (C) | 40. | 35. | 35. | 40. | 40. |
| Tend (C) | 250. | 250. | 320. | 200. | 230. |
| Heat rate (K/min) | 3. | 4. | 4. | 4. | 3. |
| Initial hold (min) | 5. | 5. | 5. | 8. | |
| Final hold (min) | 45. | 45. | |||
| I | 1609. | 1662. | 1662. | 1638. | 1636. |
| Reference | Puvipirom and Chaisei, 2012 | Budryn, Nebesny, et al., 2011 | Nebesny, Budryn, et al., 2007 | Culleré, Escudero, et al., 2004 | Ishikawa, Ito, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | DB-Wax | HP-Wax | DB-Wax |
| Column length (m) | 60. | 30. | 60. | 60. | 30. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.53 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.5 | 1. |
| Tstart (C) | 40. | 40. | 40. | 40. | 40. |
| Tend (C) | 220. | 210. | 210. | 190. | 225. |
| Heat rate (K/min) | 3. | 5. | 5. | 3. | 6. |
| Initial hold (min) | 5. | 6. | 5. | ||
| Final hold (min) | 30. | ||||
| I | 1629. | 1632. | 1632. | 1665. | 1634. |
| Reference | López, Ezpeleta, et al., 2004 | Kumazawa and Masuda, 2002 | Kumazawa and Masuda, 2002 | Sanz, Maeztu, et al., 2002 | Cadwallader and Heo, 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Packed |
|---|---|---|---|
| Active phase | HP-Wax | DB-Wax | Carbowax |
| Column length (m) | 60. | 60. | 3. |
| Carrier gas | He | He | He |
| Substrate | Chromosorb G AW DMCS | ||
| Column diameter (mm) | 0.25 | 0.25 | |
| Phase thickness (μm) | 0.5 | ||
| Tstart (C) | 40. | 60. | 60. |
| Tend (C) | 190. | 180. | 180. |
| Heat rate (K/min) | 3. | 2. | 4. |
| Initial hold (min) | 6. | ||
| Final hold (min) | |||
| I | 1665. | 1627. | 1618. |
| Reference | Sanz, Ansorena, et al., 2001 | Sekiwa, Kubota, et al., 1997 | Schieberle and Grosch, 1983 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
Puvipirom and Chaisei, 2012
Puvipirom, J.; Chaisei, S.,
Contribution of roasted grains and seeds in aroma of oleang (Thai coffee drink),
Int. Food Res. J., 2012, 19, 2, 583-588. [all data]
Budryn, Nebesny, et al., 2011
Budryn, G.; Nebesny, E.; Kula, J.; Majda, T.; Krysiak, W.,
HS-SPME/GC/MS Profiles of convectively and microwave roasted Ivory Coast Robusta coffee brews,
Czech. J. Food Sci., 2011, 29, 2, 151-160. [all data]
Nebesny, Budryn, et al., 2007
Nebesny, E.; Budryn, G.; Kula, J.; Majda, T.,
The effect of roasting method on headspace composition of robusta coffee bean aroma,
Eur. Food Res. Technol., 2007, 225, 1, 9-19, https://doi.org/10.1007/s00217-006-0375-0
. [all data]
Culleré, Escudero, et al., 2004
Culleré, L.; Escudero, A.; Cacho, J.; Ferreira, V.,
Gas chromatography-olfactometry and chemical quantitative study of the aroma of six premium auality Spanish aged red wines,
J. Agric. Food Chem., 2004, 52, 6, 1653-1660, https://doi.org/10.1021/jf0350820
. [all data]
Ishikawa, Ito, et al., 2004
Ishikawa, M.; Ito, O.; Ishizaki, S.; Kurobayashi, Y.; Fujita, A.,
Solid-phase aroma concentrate extraction (SPACE ): a new headspace technique for more sensitive analysis of volatiles,
Flavour Fragr. J., 2004, 19, 3, 183-187, https://doi.org/10.1002/ffj.1322
. [all data]
López, Ezpeleta, et al., 2004
López, R.; Ezpeleta, E.; Sánchez, I.; Cacho, J.; Ferreira, V.,
Analysis of the aroma intensities of volatile compounds released from mild acid hydrolysates of odourless precursors extracted from Tempranillo and Grenache grapes using gas chromatography-olfactometry,
Food Chem., 2004, 88, 1, 95-103, https://doi.org/10.1016/j.foodchem.2004.01.025
. [all data]
Kumazawa and Masuda, 2002
Kumazawa, K.; Masuda, H.,
Identification of potent odorants in different green tea varieties using flavor dilution technique,
J. Agric. Food Chem., 2002, 50, 20, 5660-5663, https://doi.org/10.1021/jf020498j
. [all data]
Sanz, Maeztu, et al., 2002
Sanz, C.; Maeztu, L.; Zapelena, M.J.; Bello, J.; Cid, C.,
Profiles of volatile compounds and sensory analysis of three blends of coffee: influence of different proportions of Arabica and Robusta and influence of roasting coffee with sugar,
J. Sci. Food Agric., 2002, 82, 8, 840-847, https://doi.org/10.1002/jsfa.1110
. [all data]
Cadwallader and Heo, 2001
Cadwallader, K.R.; Heo, J.,
Aroma of roasted sesame oil: characterization by direct thermal desorption-gas chromatography-olfactometry and sample dilution analysis,
Am. Chem. Soc. Symp. Ser., 2001, 782, 187-202. [all data]
Sanz, Ansorena, et al., 2001
Sanz, C.; Ansorena, D.; Bello, J.; Cid, C.,
Optimizing headspace temperature and time sampling for identification of volatile compounds in ground roasted Arabica coffee,
J. Agric. Food Chem., 2001, 49, 3, 1364-1369, https://doi.org/10.1021/jf001100r
. [all data]
Sekiwa, Kubota, et al., 1997
Sekiwa, Y.; Kubota, K.; Kobayashi, A.,
Characteristic flavor components in the brew of cooked clam (Meretrix lusoria) and the effect of storage on flavor formation,
J. Agric. Food Chem., 1997, 45, 3, 826-830, https://doi.org/10.1021/jf960433e
. [all data]
Schieberle and Grosch, 1983
Schieberle, P.; Grosch, W.,
Identifizierung von Aromastoffen aus der Kruste von Roggenbrot,
Z. Lebensm. Unters. Forsch., 1983, 177, 3, 173-180, https://doi.org/10.1007/BF01146791
. [all data]
Notes
Go To: Top, Normal alkane RI, 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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