Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Butanal, 2-methyl-

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Van Den Dool and Kratz 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 CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-54HP-5MSBPX-5HP-5DB-5
Column length (m) 25.30.50.50.25.
Carrier gas HeHeHe He
Substrate      
Column diameter (mm) 0.320.250.250.320.32
Phase thickness (mum) 0.250.250.251.050.25
Program 40C(1min) => 40C/min => 60C(1min) => 4C/min => 140C => 20C/min => 240C(5min)5C(8min) => 3C/min => 20C => 10C/min => 150C(10min)0C (5min) => 40C/min => 40C (2min) => 4C/min => 280C35C(5min) => 10C/min => 150C => 20C/min => 250C(10 min)35C (2min) => 40C/min => 50C (2min) => 4C/min => 240C (10min)
I 651.662.635.668.652.
ReferenceFrauendorfer and Schieberle, 2006Bonaiti, Irlinger, et al., 2005Byrne, Bredie, et al., 2002Carrapiso, Ventanas, et al., 2002Kirchhoff and Schieberle, 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5CP Sil 8 CBDB-5DB-5CP Sil 8 CB
Column length (m) 25.60.30.30.60.
Carrier gas HeHeHeHe 
Substrate      
Column diameter (mm) 0.320.250.250.250.25
Phase thickness (mum) 0.250.250.250.250.25
Program 35C (2min) => 40C/min => 50C (2min) => 4C/min => 240C (10min)0C => rapidly => 40C(8min) => 4C/min => 250C(10min)35 C (2 min) 40 C/min -> 50 C (2 min) 4 C/min -> 230 C35 C (2 min) 40 C/min -> 50 C (2 min) 4 C/min -> 230 C0C => rapidly => 40C(8min) => 4C/min => 250C(10min)
I 652.673.646.646.678.
ReferenceKirchhoff and Schieberle, 2002Oruna-Concha, Bakker, et al., 2002Zehentbauer and Reineccius, 2002Zehentbauer and Reineccius, 2002Duckham, Dodson, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5CP Sil 8 CBCP-Sil8DB-5CP-SIL8
Column length (m) 25.60.60.30.60.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.320.250.250.320.25
Phase thickness (mum) 0.250.250.250.250.25
Program 35C(2min) => 40C/min => 50C(2min) => 4C/min => 240C(10min)40C(2min) => 4C/min => 200C => 10C/min => 250C(15min)40C(2min) => 4C/min => 200C => 10C/min => 250C (15min)35C(2min) => 40C/min => 60C (2min) => 4C/min => 240C40C(2min) => 4C/min => 200C => 10C/min => 250C (15min)
I 652.680.680.649.669.
ReferenceKirchhoff and Schieberle, 2001Martin and Ames, 2001Martin and Ames, 2001, 2Rychlik and Bosset, 2001Woffenden, Ames, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP-Sil 8CB-MSBPX-5RTX-5RTX-5BPX-5
Column length (m) 60.50.30. 50.
Carrier gas HeHeHe He
Substrate      
Column diameter (mm) 0.250.320.32 0.32
Phase thickness (mum) 0.250.50.25 0.5
Program 0C(5min) => 40C/min => 40C (2min) => 4C/min => 280C0C(5min) => 40C/min => 40C(2min) => 4C/min => 280C35C(2min) => 40C/min => 65C => 6C/min => 250Cnot specifiedOC (5min) => 60C/min => 60C(5min) => 4C/min => 250C
I 632.689.664.666.663.
ReferenceElmore, Mottram, et al., 2000Elmore, Mottram, et al., 1999Jagella and Grosch, 1999Mutti and Grosch, 1999Bredie, Mottram, et al., 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-54SE-54SE-54BPX-5SE-54
Column length (m) 25.25.30.50.30.
Carrier gas HeHeHeHe 
Substrate      
Column diameter (mm) 0.320.320.320.320.32
Phase thickness (mum) 0.50.50.250.5 
Program 35C (2min) => 4C/min => 150C => 10C/min => 240C35C (2min) => 4C/min => 150C => 10C/min => 240C35C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 10C/min => 230C(10 min)0C (10min) => 40C/min => 40C (2min) => 4C/min => 280C35C (2min) => 40C/min => 50C (2min) => 4C/min => 250C (10min)
I 655.670.660.645.665.
ReferenceFickert and Schieberle, 1998Fickert and Schieberle, 1998Hinterholzer, Lemos, et al., 1998Elmore, Mottram, et al., 1997Kubícková and Grosch, 1997
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type Capillary
Active phase DB-5
Column length (m) 30.
Carrier gas He
Substrate  
Column diameter (mm) 0.32
Phase thickness (mum) 1.0
Program 5 0C (0.5 min) -> (1 min) 60 0C (5 min) 4 0C/min -> 250 0C
I 652.
ReferenceBeal and Mottram, 1994
Comment MSDC-RI

References

Go To: Top, Van Den Dool and Kratz 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.

Frauendorfer and Schieberle, 2006
Frauendorfer, F.; Schieberle, P., Identification of the key aroma compounds in Cocoa powder based on molecular sensoly correlations, J. Agr. Food Chem., 2006, 54, 15, 5521-5529, https://doi.org/10.1021/jf060728k . [all data]

Bonaiti, Irlinger, et al., 2005
Bonaiti, C.; Irlinger, F.; Spinnler, H.E.; Engel, E., An iterative sensory procedure to select odor-active associations in complex consortia of microorganisms: application to the construction of a cheese model, J. Dairy Sci., 2005, 88, 5, 1671-1684, https://doi.org/10.3168/jds.S0022-0302(05)72839-3 . [all data]

Byrne, Bredie, et al., 2002
Byrne, D.V.; Bredie, W.L.P.; Mottram, D.S.; Martens, M., Sensory and chemical investigations on the effect of oven cooking on warmed-over flavour development in chicken meat, Meat Sci., 2002, 61, 2, 127-139, https://doi.org/10.1016/S0309-1740(01)00171-1 . [all data]

Carrapiso, Ventanas, et al., 2002
Carrapiso, A.I.; Ventanas, J.; García, C., Characterization of the most odor-active compounds of Iberian ham headspace, J. Agric. Food Chem., 2002, 50, 7, 1996-2000, https://doi.org/10.1021/jf011094e . [all data]

Kirchhoff and Schieberle, 2002
Kirchhoff, E.; Schieberle, P., Quantitation of odor-active compounds in rye flour and rye sourdough using stable isotope dilution assays, J. Agric. Food Chem., 2002, 50, 19, 5378-5385, https://doi.org/10.1021/jf020236h . [all data]

Oruna-Concha, Bakker, et al., 2002
Oruna-Concha, M.J.; Bakker, J.; Ames, J.M., Comparison of the volatile components of two cultivars of potato cooked by boiling, conventional baking and microwave baking, J. Sci. Food Agric., 2002, 82, 9, 1080-1087, https://doi.org/10.1002/jsfa.1148 . [all data]

Zehentbauer and Reineccius, 2002
Zehentbauer, G.; Reineccius, G.A., Determination of key aroma components of cheddar cheese using dynamic headspace dilution assay, Flavour Fragr. J., 2002, 17, 4, 300-305, https://doi.org/10.1002/ffj.1102 . [all data]

Duckham, Dodson, et al., 2001
Duckham, S.C.; Dodson, A.T.; Bakker, J.; Ames, J.M., Volatile flavour components of baked potato flesh. A comparison of eleven potato cultivars, Nahrung/Food, 2001, 45, 5, 317-323, https://doi.org/10.1002/1521-3803(20011001)45:5<317::AID-FOOD317>3.0.CO;2-4 . [all data]

Kirchhoff and Schieberle, 2001
Kirchhoff, E.; Schieberle, P., Determination of key aroma compounds in the crumb of a three-stage sourdough rye bread by stable isotope dilution assays and sensory studies, J. Agric. Food Chem., 2001, 49, 9, 4304-4311, https://doi.org/10.1021/jf010376b . [all data]

Martin and Ames, 2001
Martin, F.L.; Ames, J.M., Formation of Strecker aldehydes and pyrazines in a fried potato model system, J. Agric. Food Chem., 2001, 49, 8, 3885-3892, https://doi.org/10.1021/jf010310g . [all data]

Martin and Ames, 2001, 2
Martin, F.L.; Ames, J.M., Comparison of flavor compounds of potato chips fried in palmolein and silicone fluid, J. Amer. Oil Chem. Soc., 2001, 78, 8, 863-866, https://doi.org/10.1007/s11746-001-0356-2 . [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]

Woffenden, Ames, et al., 2001
Woffenden, H.M.; Ames, J.M.; Chandra, S., Relationships between antioxidant activity, color, and flavor compounds of crystal Malt extracts, J. Agric. Food Chem., 2001, 49, 11, 5524-5530, https://doi.org/10.1021/jf010583b . [all data]

Elmore, Mottram, et al., 2000
Elmore, J.S.; Mottram, D.S.; Enser, M.; Wood, J.D., The effects of diet and breed on the volatile compounds of cooked lamb, Meat Sci., 2000, 55, 2, 149-159, https://doi.org/10.1016/S0309-1740(99)00137-0 . [all data]

Elmore, Mottram, et al., 1999
Elmore, J.S.; Mottram, D.S.; Enser, M.; Wood, J.D., Effect of the polyunsaturated fatty acid composition of beef muscle on the profile of aroma volatiles, J. Agric. Food Chem., 1999, 47, 4, 1619-1625, https://doi.org/10.1021/jf980718m . [all data]

Jagella and Grosch, 1999
Jagella, T.; Grosch, W., Flavour and off-flavour compounds of black and white pepper ( Piper nigrum L.) I. Evaluation of potent odorants of black pepper by dilution and concentration techniques, Eur. Food Res. Technol., 1999, 209, 1, 16-21, https://doi.org/10.1007/s002170050449 . [all data]

Mutti and Grosch, 1999
Mutti, B.; Grosch, W., Potent odorants of boiled potatoes, Nahrung, 1999, 43, 5, 302-306, https://doi.org/10.1002/(SICI)1521-3803(19991001)43:5<302::AID-FOOD302>3.0.CO;2-8 . [all data]

Bredie, Mottram, et al., 1998
Bredie, W.L.P.; Mottram, D.S.; Guy, R.C.E., Aroma volatiles generated during extrusion cooking of maize flour, J. Agric. Food Chem., 1998, 46, 4, 1479-1487, https://doi.org/10.1021/jf9708857 . [all data]

Fickert and Schieberle, 1998
Fickert, B.; Schieberle, P., Identification of the key odorants in barley malt (caramalt) using GC/MS techniques and odour dilution analyses, Nahrung, 1998, 42, 6, 371-375, https://doi.org/10.1002/(SICI)1521-3803(199812)42:06<371::AID-FOOD371>3.0.CO;2-V . [all data]

Hinterholzer, Lemos, et al., 1998
Hinterholzer, A.; Lemos, T.; Schieberle, P., Identification of the key odorants in raw French beans and changes during cooking, Z. Lebensm. Unters. Forsch. A, 1998, 207, 3, 219-222, https://doi.org/10.1007/s002170050322 . [all data]

Elmore, Mottram, et al., 1997
Elmore, J.S.; Mottram, D.S.; Enser, M.; Wood, J.D., Novel thiazoles and 3-thiazolines in cooked beef aroma, J. Agric. Food Chem., 1997, 45, 9, 3603-3607, https://doi.org/10.1021/jf970066m . [all data]

Kubícková and Grosch, 1997
Kubícková, J.; Grosch, W., Evaluation of potent odorants of camembert cheese by dilution and concentration techniques, Int. Dairy J., 1997, 7, 1, 65-70, https://doi.org/10.1016/S0958-6946(96)00044-1 . [all data]

Beal and Mottram, 1994
Beal, A.D.; Mottram, D.S., Compounds contributing to the characteristic aroma of malted barley, J. Agric. Food Chem., 1994, 42, 12, 2880-2884, https://doi.org/10.1021/jf00048a043 . [all data]


Notes

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