2,3-Dimethyl-5-ethylpyrazine
- Formula: C8H12N2
- Molecular weight: 136.1943
- IUPAC Standard InChIKey: CIBKSMZEVHTQLG-UHFFFAOYSA-N
- CAS Registry Number: 15707-34-3
- 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: 2,3-dimethyl-6-ethylpyrazine; 2-ethyl-5,6-dimethylpyrazine; 5,6-Dimethyl-2-ethylpyrazine; 6-Ethyl-2,3-dimethylpyrazine; Pyrazine, 6-ethyl-2,3-dimethyl; 5-Ethyl-2,3-dimethylpyrazine
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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 | 109558 |
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 | 1097. | Ames, Guy, et al., 2001 | 50. m/0.32 mm/0.5 μm, He, 60. C @ 5. min, 4. K/min, 250. C @ 10. min |
Capillary | BPX-5 | 1096. | Ames, Guy, et al., 2001, 2 | 50. m/0.32 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min, 250. C @ 10. min |
Capillary | BPX-5 | 1096. | Ames, Guy, et al., 2001, 2 | 50. m/0.32 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min, 250. C @ 10. min |
Capillary | BPX-5 | 1094. | Ames, Defaye, et al., 1997 | 50. m/0.325 mm/0.5 μm, He, 50. C @ 2. min, 4. K/min, 250. C @ 10. min |
Capillary | DB-1 | 1065. | Izzo and Ho, 1991 | 50. m/0.32 mm/1.05 μm, He, 2. K/min, 260. C @ 40. min; Tstart: 40. C |
Capillary | DB-1 | 1068. | Zhang and Ho, 1991 | 60. m/0.25 mm/0.25 μm, He, 2. K/min, 220. C @ 10. min; Tstart: 40. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 1105. | Parker, Hassell, et al., 2000 | 50. m/0.32 mm/0.5 μm, He; Program: oC(5min) => 60C/min => 60C (5min) => 4C/min => 250C |
Capillary | BPX-5 | 1097. | Owens J.D., Allagheny N., et al., 1997 | 50. m/0.32 mm/0.5 μm, He; Program: OC => 60C/min => 60C(5min) => 4C/min => 250C(20min) |
Capillary | DB-1 | 1069. | Kuo, Zhang, et al., 1989 | 60. m/0.32 mm/0.25 μm, He; Program: -40C => 40C/min => 40C => 2C/min => 260C |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1460. | Shimoda, Shiratsuchi, et al., 1996 | 60. m/0.25 mm/0.25 μm, He, 2. K/min, 230. C @ 60. min; Tstart: 50. C |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Ultra-1 | 1057. | Du, Clery, et al., 2008 | 50. m/0.20 mm/0.33 μm, Helium, 2. K/min, 280. C @ 20. min; Tstart: 50. C |
Capillary | HP-5 | 1087. | Du, Clery, et al., 2008 | 50. m/0.20 mm/0.33 μm, Helium, 10. K/min, 280. C @ 8.5 min; Tstart: 50. C |
Capillary | MDN-5 | 1088. | van Loon, Linssen, et al., 2005 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 4. min, 4. K/min, 270. C @ 5. min |
Capillary | MDN-5 | 1090. | van Loon, Linssen, et al., 2005 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 4. min, 4. K/min, 270. C @ 5. min |
Capillary | HP-5 | 1090. | Boylston and Viniyard, 1998 | 50. m/0.32 mm/0.52 μm, 35. C @ 15. min, 2. K/min, 250. C @ 45. min |
Packed | SE-54 | 1084. | Schieberle, 1991 | Chromosorb G AW DMCS (100-120 mesh), 50. C @ 2. min, 6. K/min, 230. C @ 10. min; Column length: 3. m |
Capillary | OV-101 | 1066. | Mihara and Masuda, 1987 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 1079. | Yu and Zhang, 2010 | 30. m/0.25 mm/0.25 μm; Program: 40 0C (5 min) 5 0C/min -> 260 0C 15 0C/min -> 280 0C (1 min) |
Capillary | HP-5 MS | 1089. | Wan Aida, Ho, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (2 min) 20 0C/min -> 80 0C (1 min) 20 0C -> 100 0C (1 min) 30 0C/min -> 230 0C (2 min) |
Capillary | HP-5 | 1076. | 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 | HP-5MS | 1089. | Ho, Wan Aida, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 50C(2min) => 20C/min => 80C (1min) => 20C/min => 100C(1min) => 30C/min => 230C(3min) |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-Innowax | 1447. | Du, Clery, et al., 2008 | 50. m/0.20 mm/0.33 μm, Helium, 10. K/min, 250. C @ 6. min; Tstart: 50. C |
Capillary | DB-Wax | 1445. | 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 | 1445. | 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 | 1470. | Qian and Reineccius, 2002 | 25. m/0.32 mm/0.52 μm, 60. C @ 1. min, 5. K/min, 240. C @ 5. min |
Capillary | HP-Wax | 1493. | Sanz, Ansorena, et al., 2001 | 60. m/0.25 mm/0.5 μm, He, 40. C @ 6. min, 3. K/min; Tend: 190. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Carbowax 20M | 1421. | Mihara and Masuda, 1987 | Program: not specified |
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 and temperature on the formation of volatile compounds in cysteine/reducing sugar/starch mixtures during extrusion cooking,
J. Agric. Food Chem., 2001, 49, 4, 1885-1894, https://doi.org/10.1021/jf0012547
. [all data]
Ames, Guy, et al., 2001, 2
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]
Ames, Defaye, et al., 1997
Ames, J.M.; Defaye, A.B.; Bates, L.,
The effect of pH on the volatiles formed in an extruded starch-glucose-lysine model system,
Food Chem., 1997, 58, 4, 323-327, https://doi.org/10.1016/S0308-8146(96)00171-9
. [all data]
Izzo and Ho, 1991
Izzo, H.V.; Ho, C.-T.,
Isolation and identification of the volatile components of an extruded autolyzed yeast extract,
J. Agric. Food Chem., 1991, 39, 12, 2245-2248, https://doi.org/10.1021/jf00012a029
. [all data]
Zhang and Ho, 1991
Zhang, Y.; Ho, C.-T.,
Comparison of the volatile compounds formed from the thermal reaction of glucose with cysteine and glutathione,
J. Agric. Food Chem., 1991, 39, 4, 760-763, https://doi.org/10.1021/jf00004a029
. [all data]
Parker, Hassell, et al., 2000
Parker, J.K.; Hassell, G.M.E.; Mottram, D.S.; Guy, R.C.E.,
Sensory and instrumental analyses of volatiles generated during the extrusion cooking of oat flours,
J. Agric. Food Chem., 2000, 48, 8, 3497-3506, https://doi.org/10.1021/jf991302r
. [all data]
Owens J.D., Allagheny N., et al., 1997
Owens J.D.; Allagheny N.; Kipping G.; Ames J.M.,
Formation of volatile compounds during Bacillus subtilis fermentation of soya beans,
J. Sci. Food Agric., 1997, 74, 1, 132-140, https://doi.org/10.1002/(SICI)1097-0010(199705)74:1<132::AID-JSFA779>3.0.CO;2-8
. [all data]
Kuo, Zhang, et al., 1989
Kuo, M.-C.; Zhang, Y.; Hartman, T.G.; Rosen, R.T.; Ho, C.-T.,
Selective purge-and-trap method for the analysis of volatile pyrazines,
J. Agric. Food Chem., 1989, 37, 4, 1020-1022, https://doi.org/10.1021/jf00088a045
. [all data]
Shimoda, Shiratsuchi, et al., 1996
Shimoda, M.; Shiratsuchi, H.; Nakada, Y.; Wu, Y.; Osajima, Y.,
Identification and sensory characterization of volatile flavor compounds in sesame seed oil,
J. Agric. Food Chem., 1996, 44, 12, 3909-3912, https://doi.org/10.1021/jf960115f
. [all data]
Du, Clery, et al., 2008
Du, Z.; Clery, R.; Hammond, C.J.,
Volatile organic nitrogen-containing constituents in ambrette seed Abelmoschus moschatus Medik (Malvaceae),
J. Agric. Food Chem., 2008, 56, 16, 7388-7392, https://doi.org/10.1021/jf800958d
. [all data]
van Loon, Linssen, et al., 2005
van Loon, W.A.M.; Linssen, J.P.H.; Legger, A.; Posthumus, M.A.; Voragen, A.G.J.,
Identification and olfactometry of French fries flavour extracted at mouth conditions,
Food Chem., 2005, 90, 3, 417-425, https://doi.org/10.1016/j.foodchem.2004.05.005
. [all data]
Boylston and Viniyard, 1998
Boylston, T.D.; Viniyard, B.T.,
Isolation of volatile flavor compounds from peanut butter using purge-and-trap technique
in Instrumental Methods in Food and Beverage Analysis, D. Wetzel and G. Charalambous, ed(s)., 1998, 225-243. [all data]
Schieberle, 1991
Schieberle, P.,
Primary odorants in popcorn,
J. Agric. Food Chem., 1991, 39, 6, 1141-1144, https://doi.org/10.1021/jf00006a030
. [all data]
Mihara and Masuda, 1987
Mihara, S.; Masuda, H.,
Correlation between molecular structures and retention indices of pyrazines,
J. Chromatogr., 1987, 402, 309-317, https://doi.org/10.1016/0021-9673(87)80029-8
. [all data]
Yu and Zhang, 2010
Yu, A.-N.; Zhang, A.-D.,
The effect of pH on the total formation of aroma compounds produced by hearting a model system containing L-ascorbic acid with L-threonine/L-serine,
Food Chem., 2010, 119, 1, 214-219, https://doi.org/10.1016/j.foodchem.2009.06.026
. [all data]
Wan Aida, Ho, et al., 2008
Wan Aida, W.M.; Ho, C.W.; Maskat, M.Y.; Osman, H.,
Relating descriptive sensory analysis to gas chromatography / mass spectrometry of palm sugars using partial least squares regression,
ASEAN Food J., 2008, 15, 1, 35-45. [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]
Ho, Wan Aida, et al., 2007
Ho, C.W.; Wan Aida, W.M.; Maskat, M.Y.; Osman, H.,
Changes in volatile compounds of palm sap (Arenga pinnata) during the heating process for production of palm sugar,
Food Chem., 2007, 102, 4, 1156-1162, https://doi.org/10.1016/j.foodchem.2006.07.004
. [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]
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]
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]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
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