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Butanal, 3-methyl-

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Van Den Dool and Kratz RI, 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 DB-FFAPDB-FFAPFFAPFFAPDB-Wax
Column length (m) 30.30.30.30.30.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (mum) 0.50.50.250.250.5
Tstart (C) 35.35.35.35.40.
Tend (C) 225.225.225.225.250.
Heat rate (K/min) 4.4.10.10.4.
Initial hold (min) 5.5.5.5.5.
Final hold (min) 30.30.25.25.15.
I 922.927.913.933.876.
ReferenceJarunrattanasri, Theerakulkait, et al., 2007Jarunrattanasri, Theerakulkait, et al., 2007Lozano P.R., Drake M., et al., 2007Lozano P.R., Miracle E.R., et al., 2007Pozo-Bayon M.A., Ruiz-Rodriguez A., et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase FFAPDB-WaxCP-Wax 52CBCP-Wax 52CBSupelcowax-10
Column length (m) 30.30.50.60.60.
Carrier gas  He  He
Substrate      
Column diameter (mm) 0.320.250.320.250.25
Phase thickness (mum) 0.250.25 0.250.25
Tstart (C) 40.50.60.35.40.
Tend (C) 240.230.220.203.280.
Heat rate (K/min) 6.10.4.3.4.
Initial hold (min) 2.5.5.4.2.
Final hold (min) 10.25.30.  
I 930.916.909.914.918.
ReferenceSteinhaus and Schieberle, 2007Fernandez-Segovia, Escriche, et al., 2006Mahadevan and Farmer, 2006Alasalvar, Taylor, et al., 2005Elmore, Nisyrios, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxDB-WaxDB-FFAPDB-FFAP
Column length (m) 60.60.30.15.15.
Carrier gas HeHe HeHe
Substrate      
Column diameter (mm) 0.320.320.250.320.32
Phase thickness (mum) 1.1.0.250.250.25
Tstart (C) 45.45.40.35.35.
Tend (C) 250.250.200.225.225.
Heat rate (K/min) 5.5.10.10.10.
Initial hold (min) 1.1.3.5.5.
Final hold (min) 12.12.20.15.15.
I 940.930.925.915.928.
ReferenceMalliaa, Fernandez-Garcia, et al., 2005Malliaa, Fernandez-Garcia, et al., 2005Whetstine, Cadwallader, et al., 2005Avsar, Karagul-Yuceer, et al., 2004Avsar, Karagul-Yuceer, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxDB-WaxDB-WaxDB-FFAP
Column length (m) 30.30.30.30.15.
Carrier gas   HeHe 
Substrate      
Column diameter (mm) 0.250.250.320.530.32
Phase thickness (mum) 0.250.251.1.0.25
Tstart (C) 35.35.40.40.30.
Tend (C) 240.200.200.200.225.
Heat rate (K/min) 6.10.10.10.10.
Initial hold (min) 2.5.5.5.2.
Final hold (min) 6.30.30.30.20.
I 941.906.915.912.922.
ReferencePeterson and Reineccius, 2003Karagül-Yüceer, Cadwallader, et al., 2002Wu and Cadwallader, 2002Wu and Cadwallader, 2002Zhou, Wintersteen, et al., 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-FFAPDB-WaxDB-WaxDB-WaxCP-Wax 52CB
Column length (m) 15.60.60.60.50.
Carrier gas  HeHeHeH2
Substrate      
Column diameter (mm) 0.320.250.250.250.32
Phase thickness (mum) 0.250.250.250.25 
Tstart (C) 30.40.40.40.50.
Tend (C) 225.200.200.200.200.
Heat rate (K/min) 10.2.2.2.2.
Initial hold (min) 2.5.   
Final hold (min) 20.30.   
I 915.912.932.932.907.
ReferenceZhou, Wintersteen, et al., 2002Kim, 2001Lee, Suriyaphan, et al., 2001Lee, Suriyaphan, et al., 2001Liu, Yang, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxFFAPDB-WaxDB-WaxDB-Wax
Column length (m) 60.60.30.60.30.
Carrier gas He   He
Substrate      
Column diameter (mm) 0.320.250.320.250.32
Phase thickness (mum) 0.50.50.250.250.25
Tstart (C) 30.50.40.40.40.
Tend (C) 160.230.200.200.200.
Heat rate (K/min) 3.5.6.3.6.
Initial hold (min)  3.5.5.5.
Final hold (min) 5.15.30.60.30.
I 943.929.902.911.911.
ReferenceBeauchene, Grua-Priol, et al., 2000Stephan and Steinhart, 1999Cha and Cadwallader, 1998Cha, Kim, et al., 1998Cha, Kim, et al., 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase FFAPDB-WaxCarbowax 20MDB-WaxHP-20M
Column length (m) 30.60.60.60.50.
Carrier gas HeHeHe He
Substrate      
Column diameter (mm) 0.250.250.320.250.25
Phase thickness (mum) 0.250.250.4250.25 
Tstart (C) 20.50.45.50.60.
Tend (C) 200.230.300.230.190.
Heat rate (K/min) 4.3.3.2.3.
Initial hold (min) 1. 3.  
Final hold (min) 1. 20.  
I 919.911.909.906.929.
ReferenceOtt, Fay, et al., 1997Shimoda, Peralta, et al., 1996Mondello, Dugo, et al., 1995Shimoda, Shigematsu, et al., 1995Chung, Eiserich, et al., 1993
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-FFAPDB-WaxDB-WaxSupelcowax-10Supelcowax-10
Column length (m) 50.60.60.60.60.
Carrier gas He    
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (mum)  0.250.250.250.25
Tstart (C) 60.50.50.40.40.
Tend (C) 210.230.230.175.175.
Heat rate (K/min) 3.2.2.2.2.
Initial hold (min)  4.4.5.5.
Final hold (min)  30.30.20.20.
I 936.914.914.911.914.
ReferenceChung, Eiserich, et al., 1993Shiratsuchi, Shimoda, et al., 1993Shiratsuchi, Shimoda, et al., 1993Matiella and Hsieh, 1990Tanchotikul and Hsieh, 1989
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillary
Active phase Supelcowax-10Supelcowax-10
Column length (m) 60.60.
Carrier gas   
Substrate   
Column diameter (mm) 0.250.25
Phase thickness (mum) 0.250.25
Tstart (C) 40.40.
Tend (C) 175.175.
Heat rate (K/min) 2.2.
Initial hold (min) 5.5.
Final hold (min) 20.20.
I 918.912.
ReferenceTanchotikul and Hsieh, 1989Vejaphan, Hsieh, et al., 1988
Comment MSDC-RI MSDC-RI

References

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

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]

Lozano P.R., Miracle E.R., et al., 2007
Lozano P.R.; Miracle E.R.; Krause A.J.; Drake M.; Cadwallader K.R., Effect of cold storage and packaging material on the major aroma components of sweet cream butter, J. Agric. Food Chem., 2007, 55, 19, 7840-7846, https://doi.org/10.1021/jf071075q . [all data]

Pozo-Bayon M.A., Ruiz-Rodriguez A., et al., 2007
Pozo-Bayon M.A.; Ruiz-Rodriguez A.; Pernin K.; Cayot N., Influence of eggs on the aroma composition of a sponge cake and on the aroma release in model studies on flavored sponge cakes, J. Agric. Food Chem., 2007, 55, 4, 1418-1426, https://doi.org/10.1021/jf062203y . [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]

Fernandez-Segovia, Escriche, et al., 2006
Fernandez-Segovia, I.; Escriche, I.; Gomez-Sintes, M.; Fuentes, A.; Serra, J.A., In?uence of di?erent preservation treatments on the volatile fraction of desalted cod, Food Chem., 2006, 98, 3, 473-482, https://doi.org/10.1016/j.foodchem.2005.06.021 . [all data]

Mahadevan and Farmer, 2006
Mahadevan, K.; Farmer, L., Key Odor Impact Compounds in Three Yeast Extract Pastes, J. Agric. Food Chem., 2006, 54, 19, 7242-7250, https://doi.org/10.1021/jf061102x . [all data]

Alasalvar, Taylor, et al., 2005
Alasalvar, C.; Taylor, K.D.A.; Shahidi, F., Comparison of volatiles of cultured and wild sea bream (Sparus aurata) during storage in ice by dynamic headspace analysis/gas chromatography-mass spectrometry, J. Agric. Food Chem., 2005, 53, 7, 2616-2622, https://doi.org/10.1021/jf0483826 . [all data]

Elmore, Nisyrios, et al., 2005
Elmore, J.S.; Nisyrios, I.; Mottram, D.S., Analysis of the headspace aroma compounds of walnuts (Juglans regia L.), Flavour Fragr. J., 2005, 20, 5, 501-506, https://doi.org/10.1002/ffj.1477 . [all data]

Malliaa, Fernandez-Garcia, et al., 2005
Malliaa, S.; Fernandez-Garcia, E.; Bosset, J.O., Comparison of purge and trap and solid phase microextraction techniques for studying the volatile aroma compounds of three European PDO hard cheeses, Int. Dairy J., 2005, 15, 6-9, 741-758, https://doi.org/10.1016/j.idairyj.2004.11.007 . [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]

Avsar, Karagul-Yuceer, et al., 2004
Avsar, Y.K.; Karagul-Yuceer, Y.; Drake, M.A.; Singh, T.K.; Yoon, Y.; Cadwallader, K.R., Characterization of nutty flavor in cheddar cheese, J. Dairy Sci., 2004, 87, 7, 1999-2010, https://doi.org/10.3168/jds.S0022-0302(04)70017-X . [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]

Karagül-Yüceer, Cadwallader, et al., 2002
Karagül-Yüceer, Y.; Cadwallader, K.R.; Drake, M.A., Volatile flavor components of stored nonfat dry milk, J. Agric. Food Chem., 2002, 50, 2, 305-312, https://doi.org/10.1021/jf010648a . [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]

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]

Lee, Suriyaphan, et al., 2001
Lee, G.-H.; Suriyaphan, O.; Cadwallader, K.R., Aroma components of cooked tail meat of American lobster (Homarus americanus), J. Agric. Food Chem., 2001, 49, 9, 4324-4332, https://doi.org/10.1021/jf001523t . [all data]

Liu, Yang, et al., 2001
Liu, T.-T.; Yang, T.-S.; Wu, C.-M., Changes of volatiles in soy sauce-stewed pork during cold storage and reheating, J. Sci. Food Agric., 2001, 81, 15, 1547-1552, https://doi.org/10.1002/jsfa.978 . [all data]

Beauchene, Grua-Priol, et al., 2000
Beauchene, D.; Grua-Priol, J.; Lamer, T.; Demaimay, M.; Quemeneur, F., Concentration by pervaporation of aroma compounds from Fucus serratus, J. Sci. Food Agric., 2000, 75, 451-458. [all data]

Stephan and Steinhart, 1999
Stephan, A.; Steinhart, H., Identification of character impact odorants of different soybean lecithins, J. Agric. Food Chem., 1999, 47, 7, 2854-2859, https://doi.org/10.1021/jf981387g . [all data]

Cha and Cadwallader, 1998
Cha, Y.J.; Cadwallader, K.R., Aroma-active compounds in skipjack tuna sauce, J. Agric. Food Chem., 1998, 46, 3, 1123-1128, https://doi.org/10.1021/jf970380g . [all data]

Cha, Kim, et al., 1998
Cha, Y.J.; Kim, H.; Cadwallader, K.R., Aroma-active compounds in Kimchi during fermentation, J. Agric. Food Chem., 1998, 46, 5, 1944-1953, https://doi.org/10.1021/jf9706991 . [all data]

Ott, Fay, et al., 1997
Ott, A.; Fay, L.B.; Chaintreau, A., Determination and origin of the aroma impact compounds of yogurt flavor, J. Agric. Food Chem., 1997, 45, 3, 850-858, https://doi.org/10.1021/jf960508e . [all data]

Shimoda, Peralta, et al., 1996
Shimoda, M.; Peralta, R.R.; Osajima, Y., Headspace gas analysis of fish sauce, J. Agric. Food Chem., 1996, 44, 11, 3601-3605, https://doi.org/10.1021/jf960345u . [all data]

Mondello, Dugo, et al., 1995
Mondello, L.; Dugo, P.; Basile, A.; Dugo, G., Interactive use of linear retention indices, on polar and apolar columns, with a MS-library for reliable identification of complex mixtures, J. Microcolumn Sep., 1995, 7, 6, 581-591, https://doi.org/10.1002/mcs.1220070605 . [all data]

Shimoda, Shigematsu, et al., 1995
Shimoda, M.; Shigematsu, H.; Shiratsuchi, H.; Osajima, Y., Comparison of the odor concentrates by SDE and adsorptive column method from green tea infusion, J. Agric. Food Chem., 1995, 43, 6, 1616-1620, https://doi.org/10.1021/jf00054a037 . [all data]

Chung, Eiserich, et al., 1993
Chung, T.Y.; Eiserich, J.P.; Shibamoto, T., Volatile compounds isolated from edible Korean chamchwi (Aster scaber Thunb), J. Agric. Food Chem., 1993, 41, 10, 1693-1697, https://doi.org/10.1021/jf00034a033 . [all data]

Shiratsuchi, Shimoda, et al., 1993
Shiratsuchi, H.; Shimoda, M.; Minegishi, Y.; Osajima, Y., Isolation and identification of volatile flavor compounds in nonfermented coarse-cut sausage. Flavor as a quality factor of nonfermented sausage. 1, J. Agric. Food Chem., 1993, 41, 4, 647-652, https://doi.org/10.1021/jf00028a027 . [all data]

Matiella and Hsieh, 1990
Matiella, J.E.; Hsieh, T.C.-Y., Analysis of crabmeat volatile compounds, J. Food Sci., 1990, 55, 4, 962-966, https://doi.org/10.1111/j.1365-2621.1990.tb01575.x . [all data]

Tanchotikul and Hsieh, 1989
Tanchotikul, U.; Hsieh, T.C.-Y., Volatile Flavor Components in Crayfish Waste, J. Food Sci., 1989, 54, 6, 1515-1520, https://doi.org/10.1111/j.1365-2621.1989.tb05149.x . [all data]

Vejaphan, Hsieh, et al., 1988
Vejaphan, W.; Hsieh, T.C.Y.; Williams, S.S., Volatile flavor components from boiled crayfish (Procambarus clarkii) tail meat, J. Food Sci., 1988, 53, 6, 1666-1670, https://doi.org/10.1111/j.1365-2621.1988.tb07811.x . [all data]


Notes

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