2,3,5-Trimethyl-6-ethylpyrazine
- Formula: C9H14N2
- Molecular weight: 150.2209
- IUPAC Standard InChIKey: FPOLJKZKOKXIFE-UHFFFAOYSA-N
- CAS Registry Number: 17398-16-2
- 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. - Other names: 2-Ethyl-3,5,6-trimethylpyrazine; 6-Ethyl-2,3,5-trimethylpyrazine; Pyrazine, ethyltrimethyl
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Mass spectrum (electron ionization)
Go To: Top, Gas Chromatography, 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
Spectrum
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Additional Data
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Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Philip Morris R&D |
NIST MS number | 109555 |
Gas Chromatography
Go To: Top, Mass spectrum (electron ionization), 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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | BPX-5 | 1169. | Ames, Guy, et al., 2001 | 50. m/0.32 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min, 250. C @ 10. min |
Capillary | DB-1 | 1127. | Wu, Wang, et al., 2000 | 60. m/0.25 mm/1. μm, N2, 5. K/min, 200. C @ 30. min; Tstart: 30. C |
Capillary | BPX-5 | 1173. | Aaslyng, Elmore, et al., 1998 | 50. m/0.32 mm/0.50 μm, He, 4. K/min; Tstart: 40. C; Tend: 280. C |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CP-Wax 52CB | 1501. | Mahadevan and Farmer, 2006 | 60. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 1163. | Fan and Qian, 2006 | 30. m/0.32 mm/1. μm, He, 40. C @ 2. min, 4. K/min, 250. C @ 15. min |
Capillary | DB-5 | 1163. | Fan and Qian, 2005 | 30. m/0.32 mm/0.25 μm, N2, 40. C @ 2. min, 4. K/min, 250. C @ 5. min |
Capillary | HP-5 | 1155.5 | Leffingwell and Alford, 2005 | 60. m/0.32 mm/0.25 μm, He, 30. C @ 2. min, 2. K/min, 260. C @ 28. min |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | VF-5 | 1139. | Shivashankar, Roy, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (2 min) 3 0C/min -> 200 0C (3 min) 10 0C/min -> 220 0C (8 min) |
Capillary | VF-5 | 1120. | Shivashankar, Roy, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | HP-5 | 1163. | Characterization of Pyrazines in Some Chinese Liquors and Their Approximate Concentrations, 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 50C(2min) => 2C/min => 140C => 10C/min => 280C (10min) |
Capillary | CP Sil 5 CB | 1138. | Counet, Ouwerx, et al., 2004 | 50. m/0.32 mm/1.2 μm; Program: 36C => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C(30min) |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1491. | Characterization of Pyrazines in Some Chinese Liquors and Their Approximate Concentrations, 2007 | 30. m/0.25 mm/0.25 μm, He, 4. K/min, 230. C @ 15. min; Tstart: 50. C |
Capillary | DB-Wax | 1491. | Fan and Qian, 2006 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min, 230. C @ 15. min |
Capillary | HP-FFAP | 1521. | Qian and Reineccius, 2002 | 25. m/0.32 mm/0.52 μm, 60. C @ 1. min, 5. K/min, 240. C @ 5. min |
Capillary | Carbowax 20M | 1502. | Liardon and Ledermann, 1980 | H2, 2. K/min; Column length: 39. m; Column diameter: 0.30 mm; Tstart: 60. C; Tend: 220. C |
Capillary | Carbowax 20M | 1510. | Shibamoto and Russell, 1977 | 1. K/min; Column length: 100. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 170. C |
Capillary | Carbowax 20M | 1512. | Shibamoto and Russell, 1977 | 1. K/min; Column length: 100. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 170. C |
References
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Ames, Guy, et al., 2001
Ames, J.M.; Guy, R.C.E.; Kipping, G.J.,
Effect of pH, temperature, and moisture on the formation of volatile compounds in glycine/glucose model systems,
J. Agric. Food Chem., 2001, 49, 9, 4315-4323, https://doi.org/10.1021/jf010198m
. [all data]
Wu, Wang, et al., 2000
Wu, C.-M.; Wang, Z.; Wu, Q.H.,
Volatile compounds produced from monosodium glutamate in common food cooking,
J. Agric. Food Chem., 2000, 48, 6, 2438-2442, https://doi.org/10.1021/jf9907743
. [all data]
Aaslyng, Elmore, et al., 1998
Aaslyng, M.D.; Elmore, J.S.; Mottram, D.S.,
Comparison of the aroma characteristics of acid-hydrolyzed and enzyme-hydrolyzed vegetable proteins produced from soy,
J. Agric. Food Chem., 1998, 46, 12, 5225-5231, https://doi.org/10.1021/jf9806816
. [all data]
Mahadevan and Farmer, 2006
Mahadevan, K.; Farmer, L.,
Key Odor Impact Compounds in Three Yeast Extract Pastes,
J. Agric. Food Chem., 2006, 54, 19, 7242-7250, https://doi.org/10.1021/jf061102x
. [all data]
Fan and Qian, 2006
Fan, W.; Qian, M.C.,
Characterization of Aroma Compounds of Chinese Wuliangye and Jiannanchun Liquors by Aroma Extract Dilution Analysis,
J. Agric. Food Chem., 2006, 54, 7, 2695-2704, https://doi.org/10.1021/jf052635t
. [all data]
Fan and Qian, 2005
Fan, W.; Qian, M.C.,
Headspace Solid Phase Microextraction and Gas Chromatography-Olfactometry Dilution Analysis of Young and Aged Chinese Yanghe Daqu Liquors,
J. Agric. Food Chem., 2005, 53, 20, 7931-7938, https://doi.org/10.1021/jf051011k
. [all data]
Leffingwell and Alford, 2005
Leffingwell, J.C.; Alford, E.D.,
Volatile constituents of Perique tobacco,
Electron. J. Environ. Agric. Food Chem., 2005, 4, 2, 899-915. [all data]
Shivashankar, Roy, et al., 2012
Shivashankar, S.; Roy, T.K.; Moorthy, P.N.R.,
Headspace solid phase micro extraction and GC/MS analysis of the volatile components in seed and cake of Azadirachta indica A. juss,
Chem. Bull. of Politechnika Univ. Timisoara, Romania, 2012, 57(71), 1, 1-6. [all data]
Characterization of Pyrazines in Some Chinese Liquors and Their Approximate Concentrations, 2007
Characterization of Pyrazines in Some Chinese Liquors; Their Approximate Concentrations,
W. Fan; Y. Xu; Y. Zhang,
J. Agric. Food Chem., 2007, 55, 9956-9962. [all data]
Counet, Ouwerx, et al., 2004
Counet, C.; Ouwerx, C.; Rosoux, D.; Collin, S.,
Relationship between procyanidin and flavor contents of cocoa liquors from different origins,
J. Agric. Food Chem., 2004, 52, 20, 6243-6249, https://doi.org/10.1021/jf040105b
. [all data]
Qian and Reineccius, 2002
Qian, M.; Reineccius, G.,
Identification of aroma compounds in Parmigiano-Reggiano cheese by gas chromatography/olfactometry,
J. Dairy Sci., 2002, 85, 6, 1362-1369, https://doi.org/10.3168/jds.S0022-0302(02)74202-1
. [all data]
Liardon and Ledermann, 1980
Liardon, R.; Ledermann, S.,
volatile components of fermented soya hydrolysate. II. Composition of basic fraction,
Z. Lebensm. Unters. Forsch., 1980, 170, 3, 208-213, https://doi.org/10.1007/BF01042542
. [all data]
Shibamoto and Russell, 1977
Shibamoto, T.; Russell, G.F.,
A study of the volatiles isolated from a D-glucose-hydrogen sulfide-ammonia model system,
J. Agric. Food Chem., 1977, 25, 1, 109-112, https://doi.org/10.1021/jf60209a054
. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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