Pyrazine, trimethyl-
- Formula: C7H10N2
- Molecular weight: 122.1677
- IUPAC Standard InChIKey: IAEGWXHKWJGQAZ-UHFFFAOYSA-N
- CAS Registry Number: 14667-55-1
- 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: Trimethylpyrazine; 2,3,5-Trimethylpyrazine; 2,3,6-Trimethylpyrazine; Pyrazine, 2,3,5-trimethyl
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- Information on this page:
- Other data available:
- Options:
Normal alkane RI, non-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 | RTX-5 MS | RTX-5 MS | SE-54 | SLB-5MS | HP-5 |
Column length (m) | 30. | 30. | 10. | 30. | |
Carrier gas | Helium | Helium | Helium | Helium | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.18 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.18 | 0.25 | |
Program | 50 0C (5 min) 2 0C/min -> 100 0C (5 min) 5 0C/min -> 300 0C | not specified | not specified | not specified | 50C(2min) => 2C/min => 140C => 10C/min => 280C (10min) |
I | 1013. | 999. | 1011. | 1002. | 990. |
Reference | Mebazaa, Mahmoudi, et al., 2009 | Mebazaa, Mahmoudi, et al., 2009 | Frauendorfer and Schieberle, 2008 | Risticevic, Carasek, et al., 2008 | Characterization of Pyrazines in Some Chinese Liquors and Their Approximate Concentrations, 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | BPX-5 | CP Sil 5 CB | HP-5 | DB-5 | SE-30 |
Column length (m) | 60. | 50. | 50. | 50. | |
Carrier gas | He | ||||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 | |
Phase thickness (μm) | 0.25 | 1.2 | 1.05 | 1.05 | |
Program | 40C(5min) => 5C/min => 100C => 20C/min => 280C (5min) | 36C => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C(30min) | 40C(10min) => 5C/min => 200C => 20C/min => 250C(5min) | 40C(10min) => 5C/min => 200C => 20C/min => 250C (5min) | not specified |
I | 1017. | 978. | 1007. | 1007. | 985. |
Reference | Duflos, Moine, et al., 2005 | Counet, Ouwerx, et al., 2004 | Garcia-Estaban, Ansorena, et al., 2004 | Garcia-Estaban, Ansorena, et al., 2004, 2 | Vinogradov, 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | RTX-5 MS | DB-5 | CP Sil 5 CB | DB-5 | SE-54 |
Column length (m) | 60. | 30. | 50. | 60. | 25. |
Carrier gas | He | Helium | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.53 | 0.32 | 0.25 | 0.32 |
Phase thickness (μm) | 0.5 | 1.5 | 1.2 | 0.25 | 0.25 |
Program | 35C (3min) => 10C/min => 50C => 4C/min => 200C => 50C/min => 250C (10min) | -5C(1min) => 4C/min => 50C => 6C/min => 120C => 8C/min => 250C(2min) | 36C => 20C/min => 85C => 1C/min => 145C=3C/min => 250C(30min) | 35 0C (2 min) 30 0C/min -> 60 0C (1 min) 6 0C/min -> 250 0C (10 min) | 35C(2min) => 50C/min => 60C(2min) => 4C/min => 230C |
I | 1012. | 1002. | 980. | 1013. | 1002. |
Reference | Machiels and Istasse, 2003 | Bücking and Steinhart, 2002 | Counet, Callemien, et al., 2002 | Didzbalis and Ho, 2001 | Zehentbauer and Grosch, 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | SE-54 | SE-54 | DB-5 | SE-54 |
Column length (m) | 50. | 30. | 30. | 30. | |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Program | 40C(10min) => 3C/min => 95C => 10C/min => 270C(10min) | 35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 240C | 35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 240C | not specified | not specified |
I | 1012. | 1000. | 1000. | 1000. | 1000. |
Reference | Mateo, Aguirrezábal, et al., 1997 | Schermann and Schieberle, 1997 | Schermann and Schieberle, 1997 | Schieberle, 1996 | Blank, Sen, et al., 1992 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary |
---|---|---|---|
Active phase | DB-1 | DB-1 | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. |
Column length (m) | 60. | 60. | 50. |
Carrier gas | Hydrogen | ||
Substrate | |||
Column diameter (mm) | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | |
Program | not specified | not specified | not specified |
I | 975. | 978. | 980. |
Reference | Kawai, Ishida, et al., 1991 | Kawai, Ishida, et al., 1991 | Waggott and Davies, 1984 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-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.
Mebazaa, Mahmoudi, et al., 2009
Mebazaa, R.; Mahmoudi, A.; Fouchet, M.; Dos Santos, M.; Kamissoko, F.; Nafti, A.; Ben Cheikh, R.; Rega, B.; Camel, V.,
Characterization of volatile compounds in Tunisian fenugreek seeds,
Food Chem., 2009, 115, 4, 1326-1336, https://doi.org/10.1016/j.foodchem.2009.01.066
. [all data]
Frauendorfer and Schieberle, 2008
Frauendorfer, F.; Schieberle, P.,
Changes in key aroma compounds of criollo cocoa beans during roasting,
J. Agric. Food Chem., 2008, 56, 21, 10244-10251, https://doi.org/10.1021/jf802098f
. [all data]
Risticevic, Carasek, et al., 2008
Risticevic, S.; Carasek, E.; Pawliszyn, J.,
Headspace solid-phase microextraction-gas chromatographic-time-of-flight mass spectrometric methodology for geographical origin verification of coffee,
Anal. Chim. Acta, 2008, 617, 1-2, 72-84, https://doi.org/10.1016/j.aca.2008.04.009
. [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]
Duflos, Moine, et al., 2005
Duflos, G.; Moine, F.; Coin, V.M.; Malle, P.,
Determination of volatile compounds in whiting (Merlangius merlangus) using headspace-solid-phase microextraction-gas chromatography-mass spectrometry,
J. Chromatogr. Sci., 2005, 43, 6, 304-312, https://doi.org/10.1093/chromsci/43.6.304
. [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]
Garcia-Estaban, Ansorena, et al., 2004
Garcia-Estaban, M.; Ansorena, D.; Astiasaran, I.; Martin, D.; Ruiz, J.,
Comparison of simultaneous distillation extraction (SDE) and solid-phase microextraction (SPME) for the analysis of volatile compounds in dry-cured ham,
J. Sci. Food Agric., 2004, 84, 11, 1364-1370, https://doi.org/10.1002/jsfa.1826
. [all data]
Garcia-Estaban, Ansorena, et al., 2004, 2
Garcia-Estaban, M.; Ansorena, D.; Astiasarán, I.; Ruiz, J.,
Study of the effect of different fiber coatings and extraction conditions on dry cured ham volatile compounds extracted by solid-phase microextraction (SPME),
Talanta, 2004, 64, 2, 458-466, https://doi.org/10.1016/j.talanta.2004.03.007
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Machiels and Istasse, 2003
Machiels, D.; Istasse, L.,
Evaluation of two commercial solid-phase microextraction fibres for the analysis of target aroma compounds in cooked beef meat,
Talanta, 2003, 61, 4, 529-537, https://doi.org/10.1016/S0039-9140(03)00319-9
. [all data]
Bücking and Steinhart, 2002
Bücking, M.; Steinhart, H.,
Headspace GC and sensory analysis characterization of the influence of different milk additives on the flavor release of coffee beverages,
J. Agric. Food Chem., 2002, 50, 6, 1529-1534, https://doi.org/10.1021/jf011117p
. [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]
Didzbalis and Ho, 2001
Didzbalis, J.; Ho, C.-T.,
Analysis of low molecular weight aldehydes formed during the Mallard reaction,
ACS Symposium Series, 2001, 794, 196-107. [all data]
Zehentbauer and Grosch, 1998
Zehentbauer, G.; Grosch, W.,
Crust aroma of baguettes. I. Key odorants of baguettes prepared in two different ways,
J. Cereal Science, 1998, 28, 1, 81-92, https://doi.org/10.1006/jcrs.1998.0184
. [all data]
Mateo, Aguirrezábal, et al., 1997
Mateo, J.; Aguirrezábal, M.; Domínguez, C.; Zumalacárregui, J.M.,
Volatile compounds in Spanish paprika,
J. Food Comp. Anal., 1997, 10, 3, 225-232, https://doi.org/10.1006/jfca.1997.0535
. [all data]
Schermann and Schieberle, 1997
Schermann, P.; Schieberle, P.,
Evaluation of key odorants in milk chocolate and cocoa mass by aroma extract dilution analyses,
J. Agric. Food Chem., 1997, 45, 3, 867-872, https://doi.org/10.1021/jf960670h
. [all data]
Schieberle, 1996
Schieberle, P.,
Odour-active compounds in moderately roasted sesame,
Food Chem., 1996, 55, 2, 145-152, https://doi.org/10.1016/0308-8146(95)00095-X
. [all data]
Blank, Sen, et al., 1992
Blank, I.; Sen, A.; Grosch, W.,
Potent odorants of the roasted powder and brew of Arabica coffee,
Z. Lebensm. Unters Forsch., 1992, 195, 3, 239-245, https://doi.org/10.1007/BF01202802
. [all data]
Kawai, Ishida, et al., 1991
Kawai, T.; Ishida, Y.; Kakiuchi, H.; Ikeda, N.; Higashida, T.; Nakamura, S.,
Flavor components of dried squid,
J. Agric. Food Chem., 1991, 39, 4, 770-777, https://doi.org/10.1021/jf00004a031
. [all data]
Waggott and Davies, 1984
Waggott, A.; Davies, I.W.,
Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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