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Butanal, 2-methyl-

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Van Den Dool and Kratz RI, non-polar column, temperature ramp

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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 CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SPB-5HP-5MSHP-5MSDB-5MSDB-5
Column length (m) 60.30.30.30.60.
Carrier gas  HeHeHe 
Substrate      
Column diameter (mm) 0.320.250.250.250.32
Phase thickness (mum) 1.0.50.50.251.
Tstart (C) 40.35.35.35.40.
Tend (C) 230.225.225.225.260.
Heat rate (K/min) 3.4.4.10.4.
Initial hold (min) 2.5.5.5.2.
Final hold (min) 10.30.30.25.10.
I 662.659.659.661.664.
ReferenceEngel and Ratel, 2007Jarunrattanasri, Theerakulkait, et al., 2007Jarunrattanasri, Theerakulkait, et al., 2007Lozano P.R., Drake M., et al., 2007Methven L., Tsoukka M., et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5SPB-5HP-5CP-Sil 8CB-MS5 % Phenyl methyl siloxane
Column length (m) 30.60.30.0.30.
Carrier gas  HeHeHeHe
Substrate      
Column diameter (mm) 0.320.320.250.250.25
Phase thickness (mum) 0.251.0.250.251.
Tstart (C) 40.40.50.40.40.
Tend (C) 240.230.220.280.250.
Heat rate (K/min) 6.3.3.4.7.
Initial hold (min) 2.5. 2.10.
Final hold (min) 10.5.20.5.5.
I 663.661.627.659.674.
ReferenceSteinhaus and Schieberle, 2007Deport, Ratel, et al., 2006Xian Q., Chen H., et al., 2006Elmore, Cooper, et al., 2005Estevez, Ventanas, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5HP-5DB-5MSCP-Sil 8CB-MSSPB-5
Column length (m) 25.25.30.60.30.
Carrier gas HeHe  He
Substrate      
Column diameter (mm) 0.20.20.250.250.25
Phase thickness (mum) 1.1.0.250.250.25
Tstart (C) 40.40.40.40.60.
Tend (C) 280.280.200.280.250.
Heat rate (K/min) 5.5.10.4.4.
Initial hold (min)   3.2.2.
Final hold (min) 5.5.20.5.20.
I 677.677.688.662.653.
ReferenceSolina, Baumgartner, et al., 2005Solina, Baumgartner, et al., 2005Whetstine, Cadwallader, et al., 2005Hierro, de la Hoz, et al., 2004Píno, Marbot, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5CP-Sil 8CB-MSHP-1HP-1DB-5
Column length (m) 30.60.50.50.30.
Carrier gas   HeHe 
Substrate      
Column diameter (mm) 0.250.250.20.20.25
Phase thickness (mum) 0.10.250.330.330.25
Tstart (C) -30.40.60.60.35.
Tend (C) 250.280.250.250.250.
Heat rate (K/min) 10.4.2.2.4.
Initial hold (min) 1.2.5.5.2.
Final hold (min) 5.5.20.20.4.
I 658.674.638.632.641.
ReferenceSiegmund and Murkovic, 2004Bruna, Hierro, et al., 2003Cavalli, Fernandez, et al., 2003Cavalli, Fernandez, et al., 2003Peterson and Reineccius, 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase BPX-5CP Sil 8 CBCP Sil 8 CBCP Sil 8 CBDB-5
Column length (m) 50.60.60.60.30.
Carrier gas  HeHeHeHe
Substrate      
Column diameter (mm) 0.320.250.250.250.32
Phase thickness (mum) 0.50.250.250.250.25
Tstart (C) 60.40.40.40.40.
Tend (C) 250.250.250.250.220.
Heat rate (K/min) 4.4.4.4.10.
Initial hold (min) 5.8.8.8.5.
Final hold (min) 20.10.10.10.30.
I 668.672.679.672.661.
ReferenceBredie, Mottram, et al., 2002Duckham, Dodson, et al., 2002Duckham, Dodson, et al., 2002Oruna-Concha, Ames, et al., 2002Wu and Cadwallader, 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5BPX-5CP-Sil 8CB-MSDB-1SPB-1
Column length (m) 15.50.60.60.30.
Carrier gas  He HeHe
Substrate      
Column diameter (mm) 0.320.320.250.320.32
Phase thickness (mum) 0.50.50.251.4.
Tstart (C) 30.60.40.40.45.
Tend (C) 225.250.280.220.240.
Heat rate (K/min) 10.4.4.2.5.
Initial hold (min) 2.5.2.5.13.
Final hold (min) 20.10.  5.
I 654.625.674.639.649.
ReferenceZhou, Wintersteen, et al., 2002Ames, Guy, et al., 2001Bruna, Hierro, et al., 2001Kim, 2001Larráyoz, Addis, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5SE-54SE-54CP Sil 8 CBBPX-5
Column length (m) 30.25.25.60.50.
Carrier gas He  HeHe
Substrate      
Column diameter (mm) 0.0530.310.310.250.32
Phase thickness (mum) 1.5  0.250.50
Tstart (C) 0.35.35.40.40.
Tend (C) 230.230.230.280.280.
Heat rate (K/min) 6.4.4.4.4.
Initial hold (min)  3.3.2. 
Final hold (min)  10.10.  
I 664.665.47667.42665.678.
ReferenceRychlik and Bosset, 2001Yin, Xiu, et al., 2001Yin, Xiu, et al., 2001Elmore, Mottram, et al., 2000Aaslyng, Elmore, et al., 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SPB-5DB-1HP-1OV-101SPB-1
Column length (m) 60.60.50.50.60.
Carrier gas He  HeHe
Substrate      
Column diameter (mm) 0.320.250.320.320.25
Phase thickness (mum) 1.0.251.50.500.25
Tstart (C) 40.35.40.50.35.
Tend (C) 200.280.220.250.235.
Heat rate (K/min) 3.2.2.2.2.
Initial hold (min) 5.10.  10.
Final hold (min) 2.10.30. 40.
I 661.639.640.620.635.
ReferenceVerdier-Metz., Coulon, et al., 1998Specht and Baltes, 1994Zhang, Dorjpalam, et al., 1992Misharina, Aerove, et al., 1991Huang, Bruechert, et al., 1987
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type Capillary
Active phase OV-1
Column length (m) 183.
Carrier gas N2
Substrate  
Column diameter (mm)  
Phase thickness (mum)  
Tstart (C) 0.
Tend (C) 230.
Heat rate (K/min) 1.
Initial hold (min)  
Final hold (min)  
I 643.
ReferenceSchreyen, Dirinck, et al., 1976
Comment MSDC-RI

References

Go To: Top, Van Den Dool and Kratz RI, non-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.

Engel and Ratel, 2007
Engel, E.; Ratel, J., Correction of the data generated by mass spectrometry analyses of biological tissues: Application to food authentication, J. Chromatogr. A, 2007, 1154, 1-2, 331-341, https://doi.org/10.1016/j.chroma.2007.02.012 . [all data]

Jarunrattanasri, Theerakulkait, et al., 2007
Jarunrattanasri, A.; Theerakulkait, C.; Cadwallader, K.R., Aroma Components of Acid-Hydrolyzed Vegetable Protein Made by Partial Hydrolysis of Rice Bran Protein, J. Agric. Food Chem., 2007, 55, 8, 3044-3050, https://doi.org/10.1021/jf0631474 . [all data]

Lozano P.R., Drake M., et al., 2007
Lozano P.R.; Drake M.; Benitez D.; Cadwallader K.R., Instrumental and sensory characterization of heat-induced odorants in aseptically packaged soy milk, J. Agric. Food Chem., 2007, 55, 8, 3018-3026, https://doi.org/10.1021/jf0631225 . [all data]

Methven L., Tsoukka M., et al., 2007
Methven L.; Tsoukka M.; Oruna-Concha M.J.; Parker J.K.; Mottram D.S., Influence of sulfur amino acids on the volatile and nonvolatile components of cooked salmon (Salmo salar), J. Agric. Food Chem., 2007, 55, 4, 1427-1436, https://doi.org/10.1021/jf0625611 . [all data]

Steinhaus and Schieberle, 2007
Steinhaus, P.; Schieberle, P., Characterization of the key aroma compounds in soy sauce using approaches of molecular sensory science, J. Agric. Food Chem., 2007, 55, 15, 6262-6269, https://doi.org/10.1021/jf0709092 . [all data]

Deport, Ratel, et al., 2006
Deport, C.; Ratel, J.; Berdagué, J.-L.; Engel, E., Comprehensive combinatory standard correction: A calibration method for handling instrumental drifts of gas chromatography-mass spectrometry systems, J. Chromatogr. A, 2006, 1116, 1-2, 248-258, https://doi.org/10.1016/j.chroma.2006.03.092 . [all data]

Xian Q., Chen H., et al., 2006
Xian Q.; Chen H.; Zou H.; Yin D., Chemical composition of essential oils of two submerged macrophytes, Ceratophyllum demersum L. and Vallisneria spiralis L., Flavour Fragr. J., 2006, 21, 3, 524-526, https://doi.org/10.1002/ffj.1588 . [all data]

Elmore, Cooper, et al., 2005
Elmore, J.S.; Cooper, S.L.; Enser, M.; Mottram, D.S.; Sinclair, L.A.; Wilkinson, R.G.; Wood, J.D., Dietary manipulation of fatty acid composition in lamb meat and its effect on the volatile aroma compounds of grilled lamb, Meat Sci., 2005, 69, 2, 233-242, https://doi.org/10.1016/j.meatsci.2004.07.002 . [all data]

Estevez, Ventanas, et al., 2005
Estevez, M.; Ventanas, S.; Ramirez, R.; Cava, R., Influence of the Addition of Rosemary Essential Oil on the Volatiles Pattern of Porcine Frankfurters, J. Agric. Food Chem., 2005, 53, 21, 8317-8324, https://doi.org/10.1021/jf051025q . [all data]

Solina, Baumgartner, et al., 2005
Solina, M.; Baumgartner, P.; Johnson, R.L.; Whitfield, F.B., Volatile aroma components of soy protein isolate and acid-hydrolysed vegetable protein, Food Chem., 2005, 90, 4, 861-873, https://doi.org/10.1016/j.foodchem.2004.06.005 . [all data]

Whetstine, Cadwallader, et al., 2005
Whetstine, M.E.C.; Cadwallader, K.R.; Drake, M.A., Characterization of aroma compounds responsible for the rosy/floral flavor in cheddar cheese, J. Agric. Food Chem., 2005, 53, 8, 3126-3132, https://doi.org/10.1021/jf048278o . [all data]

Hierro, de la Hoz, et al., 2004
Hierro, E.; de la Hoz, L.; Ordóñez, J.A., Headspace volatile compounds from salted and occasionally smoked dried meats (cecinas) as affected by animal species, Food Chem., 2004, 85, 4, 649-657, https://doi.org/10.1016/j.foodchem.2003.07.001 . [all data]

Píno, Marbot, et al., 2004
Píno, J.A.; Marbot, R.; Vázquez, C., Volatile components of the fruits of Vangueria madagascariensis J. F. Gmel. from Cuba, J. Essent. Oil Res., 2004, 16, 4, 302-304, https://doi.org/10.1080/10412905.2004.9698727 . [all data]

Siegmund and Murkovic, 2004
Siegmund, B.; Murkovic, M., Changes in chemical composition of pumpkin seeds during the roasting process for production of pumpkin seed oil (Part 2: volatile compounds), Food Chem., 2004, 84, 3, 367-374, https://doi.org/10.1016/S0308-8146(03)00241-3 . [all data]

Bruna, Hierro, et al., 2003
Bruna, J.M.; Hierro, E.M.; de la Hoz, L.; Mottram, D.S.; Fernández, M.; Ordóñez, J.A., Changes in selected biochemical and sensory parameters as affected by the superficial inoculation of Penicillium camemberti on dry fermented sausages, Int. J. Food Microbiol., 2003, 85, 1-2, 111-125, https://doi.org/10.1016/S0168-1605(02)00505-6 . [all data]

Cavalli, Fernandez, et al., 2003
Cavalli, J.-F.; Fernandez, X.; Lizzani-Cuvelier, L.; Loiseau, A.-M., Comparison of static headspace, headspace solid phase microextraction, headspace sorptive extraction, and direct thermal desorption techniques on chemical composition of French olive oils, J. Agric. Food Chem., 2003, 51, 26, 7709-7716, https://doi.org/10.1021/jf034834n . [all data]

Peterson and Reineccius, 2003
Peterson, D.G.; Reineccius, G.A., Characterization of the volatile compounds that constitute fresh sweet cream butter aroma, Flavour Fragr. J., 2003, 18, 3, 215-220, https://doi.org/10.1002/ffj.1192 . [all data]

Bredie, Mottram, et al., 2002
Bredie, W.L.P.; Mottram, D.S.; Guy, R.C.E., Effect of temperature and pH on the generation of flavor volatiles in extrusion cooking of wheat flour, J. Agric. Food Chem., 2002, 50, 5, 1118-1125, https://doi.org/10.1021/jf0111662 . [all data]

Duckham, Dodson, et al., 2002
Duckham, S.C.; Dodson, A.T.; Bakker, J.; Ames, J.M., Effect of cultivar and storage time on the volatile flavor components of baked potato, J. Agric. Food Chem., 2002, 50, 20, 5640-5648, https://doi.org/10.1021/jf011326+ . [all data]

Oruna-Concha, Ames, et al., 2002
Oruna-Concha, M.J.; Ames, J.M.; Bakker, J., Comparison of the volatile components of eight cultivars of potato after microwave baking, Lebensm. Wiss. Technol., 2002, 35, 1, 80-86, https://doi.org/10.1006/fstl.2001.0819 . [all data]

Wu and Cadwallader, 2002
Wu, Y.-F.G.; Cadwallader, K.R., Characterization of the aroma of a meatlike process flavoring from soybean-based enzyme-hydrolyzed vegetable protein, J. Agric. Food Chem., 2002, 50, 10, 2900-2907, https://doi.org/10.1021/jf0114076 . [all data]

Zhou, Wintersteen, et al., 2002
Zhou, Q.; Wintersteen, C.L.; Cadwallader, K.R., Identification and quantification of aroma-active components that contribute to the distinct malty flavor of buckwheat honey, J. Agric. Food Chem., 2002, 50, 7, 2016-2021, https://doi.org/10.1021/jf011436g . [all data]

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]

Bruna, Hierro, et al., 2001
Bruna, J.M.; Hierro, E.M.; de la Hoz, L.; Mottram, D.S.; Fernández, M.; Ordóñez, J.A., The contribution of Penicillium aurantiogriseum to the volatile composition and sensory quality of dry fermented sausages, Meat Sci., 2001, 59, 1, 97-107, https://doi.org/10.1016/S0309-1740(01)00058-4 . [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]

Larráyoz, Addis, et al., 2001
Larráyoz, P.; Addis, M.; Gauch, R.; Bosset, J.O., Comparison of dynamic headspace and simultaneous distillation extraction techniques used for the analysis of the volatile components in three European PDO ewes milk cheeses, Int. Dairy J., 2001, 11, 11-12, 911-926, https://doi.org/10.1016/S0958-6946(01)00144-3 . [all data]

Rychlik and Bosset, 2001
Rychlik, M.; Bosset, J.O., Flavour and off-flavour compoundsof SwissGruy ere cheese. Evaluation of potent odorants, Int. Dairy J., 2001, 11, 11-12, 895-901, https://doi.org/10.1016/S0958-6946(01)00108-X . [all data]

Yin, Xiu, et al., 2001
Yin, W.; Xiu, Z.; Aijin, H., Analysis of the volatile components in trogopterorum feces by capillary gas chromatography and gas chromatography/mass spectrometry, Fenxi Huaxue, 2001, 29, 2, 195-198. [all data]

Elmore, Mottram, et al., 2000
Elmore, J.S.; Mottram, D.S.; Hierro, E., Two-fibre solid-phase microextraction combined with gas chromatography-mass spectrometry for the analysis of volatile aroma compounds in cooked pork, J. Chromatogr. A, 2000, 905, 1-2, 233-240, https://doi.org/10.1016/S0021-9673(00)00990-0 . [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]

Verdier-Metz., Coulon, et al., 1998
Verdier-Metz., I.; Coulon, J.-B.; PPradel, P.; Viallon, C.; Berdague, J.-L., Effect of forage conservation (hay or silage) and cow breed on the coagulation properties of milks and on the characteristics of ripened cheeses, J. Dairy Res., 1998, 65, 1, 9-21, https://doi.org/10.1017/S0022029997002616 . [all data]

Specht and Baltes, 1994
Specht, K.; Baltes, W., Identification of volatile flavor compounds with high aroma values from shallow-fried beef, J. Agric. Food Chem., 1994, 42, 10, 2246-2253, https://doi.org/10.1021/jf00046a031 . [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]

Misharina, Aerove, et al., 1991
Misharina, T.A.; Aerove, A.F.; Golovnya, R.E.; Kalugina, V.I.; Rogovskaya, L.V.; Vysotskaya, L.E.; Shevtsov, V.K., Identification of volatile components of an aromatizer with a chicken odor by chromatography-mass spectrometry and chromatography-fourier transform infrared spectroscopy, J. Anal. Chem. USSR (Engl. Transl.), 1991, 8, 1187-1193. [all data]

Huang, Bruechert, et al., 1987
Huang, T.-C.; Bruechert, L.J.; Hartman, T.G.; Rosen, R.T.; Ho, C.-T., Effect of lipids and carbohydrates on thermal generation of volatiles from commercial zein, J. Agric. Food Chem., 1987, 35, 6, 985-990, https://doi.org/10.1021/jf00078a030 . [all data]

Schreyen, Dirinck, et al., 1976
Schreyen, L.; Dirinck, P.; van Wassenhove, F.; Schamp, N., Volatile flavor components of leek, J. Agric. Food Chem., 1976, 24, 2, 336-341, https://doi.org/10.1021/jf60204a056 . [all data]


Notes

Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, References