Pyrazine, 2,5-dimethyl-3-(2-methylpropyl)-
- Formula: C10H16N2
- Molecular weight: 164.2474
- IUPAC Standard InChIKey: KEJOEQXAEQCAKT-UHFFFAOYSA-N
- CAS Registry Number: 32736-94-0
- 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: Pyrazine, 3-isobutyl-2,5-dimethyl-; 2,5-Dimethyl-3-isobutylpyrazine; 3-Isobutyl-2,5-dimethylpyrazine; 2,5-Dimethyl-3-(2-methylpropyl)pyrazine; 2,5-Dimethyl-6-isobutylpyrazine; 3,6-Dimethyl-2-isobutylpyrazine
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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. |
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NIST MS number | 6061 |
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 | 1227. | Oruna-Concha, Duckham, et al., 2001 | 50. m/0.32 mm/0.25 μm, He, 35. C @ 3. min, 4. K/min, 250. C @ 10. min |
Capillary | BPX-5 | 1207. | Oruna-Concha, Duckham, et al., 2001 | 50. m/0.32 mm/0.25 μm, He, 35. C @ 3. min, 4. K/min, 250. C @ 10. min |
Capillary | HP-1 | 1184. | Zhang, Dorjpalam, et al., 1992 | 50. m/0.32 mm/1.5 μm, 2. K/min, 220. C @ 30. 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 | 1193. | Moon, Cliff, et al., 2006 | 30. m/0.32 mm/0.25 μm, He; Program: 40C(3min) => 3C/min => 180C => 10C/min => 260C(2min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1549. | Kim, 2001 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 200. C @ 30. min |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 1208. | Fadel, Mageed, et al., 2006 | He, 50. C @ 5. min, 4. K/min; Column length: 60. m; Column diameter: 0.32 mm; Tend: 250. C |
Capillary | BPX-5 | 1207. | Dickschat, Reichenbach, et al., 2005 | 25. m/0.22 mm/0.25 μm, He, 50. C @ 5. min, 5. K/min; Tend: 320. C |
Capillary | DB-5MS | 1208. | Welty, Marshall, et al., 2001 | He, 40. C @ 5. min, 5. K/min, 220. C @ 5. min; Column length: 50. m; Column diameter: 0.25 mm |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 1185. | 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 | 1184. | Counet, Callemien, et al., 2002 | 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 | 1506. | 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 | FFAP | 1521. | Vernin, Metzger, et al., 1988 | He, 60. C @ 5. min, 2. K/min; Column length: 50. m; Column diameter: 0.28 mm; Tend: 240. C |
Capillary | FFAP | 1520. | Vernin, Metzger, et al., 1988 | He, 60. C @ 5. min, 2. K/min; Column length: 50. m; Column diameter: 0.28 mm; Tend: 240. 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.
Oruna-Concha, Duckham, et al., 2001
Oruna-Concha, M.J.; Duckham, S.C.; Ames, J.M.,
Comparison of volatile compounds isolated from the skin and flesh of four potato cultivars after baking,
J. Agric. Food Chem., 2001, 49, 5, 2414-2421, https://doi.org/10.1021/jf0012345
. [all data]
Zhang, Dorjpalam, et al., 1992
Zhang, Y.; Dorjpalam, B.; Ho, C.-T.,
Contribution of peptides to volatile formation in the Maillard reaction of casein hydrolysate with glucose,
J. Agric. Food Chem., 1992, 40, 12, 2467-2471, https://doi.org/10.1021/jf00024a026
. [all data]
Moon, Cliff, et al., 2006
Moon, S.-Y.; Cliff, M.A.; Li-Chan, E.C.Y.,
Odour-active components of simulated beef flavour analysed by solid phase microextraction and gas chromatography-mass spectrometry and -olfactometry,
Food Res. Int., 2006, 39, 3, 294-308, https://doi.org/10.1016/j.foodres.2005.08.002
. [all data]
Kim, 2001
Kim, J.S.,
Einfluss der Temperatur beim Rösten von Sesam auf Aroma und antioxidative Eigenschaften des Öls, PhD Thesis, Technischen Universität Berlin zur Erlangung des akademischen Grades, Berlin, 2001, 151. [all data]
Fadel, Mageed, et al., 2006
Fadel, H.H.M.; Mageed, M.A.A.; Samad, A.K.M.E.A.; Lotfy, S.N.,
Cocoa substitute: Evaluation of sensory qualities and flavour stability,
Eur. Food Res. Technol., 2006, 223, 1, 125-131, https://doi.org/10.1007/s00217-005-0162-3
. [all data]
Dickschat, Reichenbach, et al., 2005
Dickschat, J.S.; Reichenbach, H.; Wagner-Döbler, I.; Schulz, S.,
Novel Pyrazines from the Myxobacterium Chondromyces crocatus and Marine Bacteria,
Eur. J. Org. Chem., 2005, 2005, 19, 4141-4153, https://doi.org/10.1002/ejoc.200500280
. [all data]
Welty, Marshall, et al., 2001
Welty, W.M.; Marshall, R.T.; Grün, I.U.; Ellersieck, M.R.,
Effects of Milk Fat, Cocoa Butter, or Selected Fat Replacers on Flavor Volatiles of Chocolate Ice Cream,
J. Dairy Sci., 2001, 84, 1, 21-30, https://doi.org/10.3168/jds.S0022-0302(01)74447-5
. [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, Callemien, et al., 2002
Counet, C.; Callemien, D.; Ouwerx, C.; Collin, S.,
Use of gas chromatography-olfactometry to identify key odorant compounds in dark chocolate. Comparison of samples before and after conching,
J. Agric. Food Chem., 2002, 50, 8, 2385-2391, https://doi.org/10.1021/jf0114177
. [all data]
Vernin, Metzger, et al., 1988
Vernin, G.; Metzger, J.; Obretenov, T.; Suon, K.-N.; Fraisse, D.,
GC/MS (EI,PCI,SIM)-data bank analysis of volatile compounds arising from thermal degradation of glucose-valine amadori intermediates
in Flavors and Fragrances: A World Perspective. Proceedings of the 10th International Congress of Essential Oils, Fragrances and Flavors, Lawrence,B.M.; Mookherjee,B.D.; Willis,B.J., ed(s)., Elsevier, New York, 1988, 999-1028. [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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