Butanal, 3-methyl-

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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 CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5SE-54HP-5HP-5DB-5 MS
Column length (m) 30.30.50.60.30.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.250.320.320.250.25
Phase thickness (μm) 0.250.251.050.250.25
Program 30 0C (1 min) 2 0C/min -> 100 0C (5 min) 5 0C/min -> 170 0C35 0C (2 min) 10 0C/min -> 50 0C (2 min) 6 0C/min -> 250 0Cnot specified30 0C (2 min) 2 0Cmin -> 60 0C 10 0C/min -> 100 0C 20 0C/min -> 140 0C 10 0C/min -> 200 0C (10 min)not specified
I 669.652.642.651.655.
ReferenceFang, Pu, et al., 2012Christlbauer and Schieberle, 2009Pugliese, Sirtori, et al., 2009Rotsatschakul, Visesanguan, et al., 2009Su, Wang, et al., 2009
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP-Sil 5 CbSE-54SLB-5MSHP-5HP-5 MS
Column length (m) 50. 10.50.30.
Carrier gas NitrogenHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.32 0.180.320.25
Phase thickness (μm) 1.20 0.181.050.25
Program 40 0C 20 0C/min -> 85 0C 1 0C/min -> 145 0C 3 0C/min -> 250 0C (30 min)not specifiednot specified40 0C (10 min) 5 0C/min -> 200 0C 15 0C/min -> 250 0C (10 min)40 0C (2 min) 4 0C/min -> 220 0C 20 0C/min -> 280 0C
I 650.651.654.634.656.
ReferenceCollin, Nizet, et al., 2008Frauendorfer and Schieberle, 2008Risticevic, Carasek, et al., 2008Ventanas, Estevez, et al., 2008Xie, Sun, et al., 2008
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5 MSHP-1DB-5 MSHP-5SE-54
Column length (m) 30.50.30.50.30.
Carrier gas HeliumHeHelium  
Substrate      
Column diameter (mm) 0.250.20.250.320.32
Phase thickness (μm) 0.250.330.251.050.25
Program 40 0C (2 min) 4 0C/min -> 220 0C 20 0C/min -> 280 0C40C(2min) => 2C/min => 200C => 15C/min => 250C (30min)45 0C (0.75 min) 10 0C/min -> 200 0C 30 0C/min -> 245 0C (1.25 min)35 0C (10 min) 10 0C/min -> 150 0C 20 0C/min -> 250 0C (10 min)35C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 10C/min => 230C(10min)
I 657.625.663.656.652.
ReferenceXie, Sun, et al., 2008Barra, Baldovini, et al., 2007Cajka, Hajslova, et al., 2007Carrapiso and Garsia, 2007Lasekan, Buettner, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5 MSDB-5HP-5BPX-5Methyl Silicone
Column length (m) 60.30. 60.60.
Carrier gas HeliumHeliumHeHeHelium
Substrate      
Column diameter (mm) 0.320.32 0.320.32
Phase thickness (μm) 1.00.25 1.1.0
Program 40 0C (2 min) 6 0C/min -> 100 0C 4 0C/min -> 180 0C 8 0C/min -> 250 0C (12 min)not specified50C => 3C/min => 200C(10min) => 10C/min => 290C(10min)40C(4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250C-50 0C (2 min) 8 0C/min -> 200 0C (7.75 min) 25 0C -> 225 0C (8 min)
I 653.662.671.644.636.
ReferenceLiu, Xu, et al., 2007Pellicer, 2007Splivallo, Bossi, et al., 2007van Ruth, Floris, et al., 2006Blunden, Aneja, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1BPX-5CP-Sil5 CB MSMDN-5HP-5
Column length (m) 60.60.50.30. 
Carrier gas HeHe   
Substrate      
Column diameter (mm) 0.320.250.320.25 
Phase thickness (μm) 0.250.251.20.25 
Program 33C(5min) => 2C/min => 50c => 5C/min => 225C40C(5min) => 5C/min => 100C => 20C/min => 280C (5min)36C(2min) => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C(30min)not specifiednot specified
I 622.660.650.647.629.
ReferenceCramer, Mattinson, et al., 2005Duflos, Moine, et al., 2005Iraqi, Vermeulen, et al., 2005Jelen and Grabarkiewicz-Szczesna, 2005Riu-Aumatell, Lopez-Tamames, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5CP Sil 5 CBHP-5DB-5HP-1
Column length (m) 60.50.50.50. 
Carrier gas      
Substrate      
Column diameter (mm) 0.320.320.320.32 
Phase thickness (μm) 1.1.21.051.05 
Program not specified36C => 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 647.665.649.649.635.
ReferenceThierry, Maillard, et al., 2005Counet, Ouwerx, et al., 2004Garcia-Estaban, Ansorena, et al., 2004Garcia-Estaban, Ansorena, et al., 2004, 2Junkes, Amboni, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase BPX-5SE-30SPB-5Polydimethyl siloxaneRTX-5 MS
Column length (m) 60. 60. 60.
Carrier gas He   He
Substrate      
Column diameter (mm) 0.32 0.32 0.25
Phase thickness (μm) 1. 1. 0.5
Program 40C (4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250 C (10min)not specifiednot specifiednot specified35C (3min) => 10C/min => 50C => 4C/min => 200C => 50C/min => 250C (10min)
I 665.649.648.635.655.
ReferenceMachiels, Istasse, et al., 2004Vinogradov, 2004Begnaud, Pérès, et al., 2003Junkes, Castanho, et al., 2003Machiels and Istasse, 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase BPX-5BPX-5DB-5DB-5MSDB-5
Column length (m) 60.60.30.30.30.
Carrier gas HeHe   
Substrate      
Column diameter (mm) 0.320.320.320.250.53
Phase thickness (μm) 1.1.1.1.1.5
Program 40C (4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250 C (10min)40C (4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250 C (10min)35C(4min) => 2C/min => 130C => 4C/min => 250C50C => 3C/min => 160C => 6C/min => 250C => 25C/min => 325C-5C(1min) => 4C/min => 50C => 6C/min => 120C => 8C/min => 250C(2min)
I 654.664.654.652.653.
ReferenceMachiels, van Ruth, et al., 2003Machiels, van Ruth, et al., 2003Qian and Reineccius, 2003Young, Lane, et al., 2003Bücking and Steinhart, 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP Sil 5 CBCP Sil 5 CBHP-5CP Sil 8 CBMethyl phenyl siloxane (not specified)
Column length (m) 50.50.30.60. 
Carrier gas    He 
Substrate      
Column diameter (mm) 0.320.320.250.32 
Phase thickness (μm) 1.21.20.250.25 
Program 36C => 20C/min => 85C => 1C/min => 145C=3C/min => 250C(30min)36C => 20C/min => 85C => 1C/min => 145C=3C/min => 250C(30min)40C (6min) => 2.5C/min => 150C => 90C/min => 250C40C(2min) => 40C/min => 60C(2min) => 6C/min => 250C(15min)not specified
I 633.633.654.663.650.
ReferenceCounet, Callemien, et al., 2002Counet, Callemien, et al., 2002Jordán, Margaría, et al., 2002Landy, Boucon, et al., 2002Poligne, Collignan, et al., 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5CP Sil 8 CBPolydimethyl siloxaneSE-54SE-54
Column length (m)  60. 25.25.
Carrier gas      
Substrate      
Column diameter (mm)  0.25 0.310.31
Phase thickness (μm)  0.25   
Program not specifiednot specifiednot specifiednot specifiednot specified
I 650.667.659.646.647.
ReferenceStaples E.S., 2002Duckham, Dodson, et al., 2001Spanier, Shahidi, et al., 2001Ding, Deng, et al., 1998Ding, Deng, et al., 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase RTX-5DB-5SE-54HP-5SE-54
Column length (m)  30.30.50.25.
Carrier gas  He HeHe
Substrate      
Column diameter (mm)  0.320.320.320.32
Phase thickness (μm)  0.250.250.520.25
Program not specified35C(1min) => 40C/min => 60C (1min) => 6C/min => 230C35 0C (2 min) 40 0C/min -> 50 0C (1 min) 6 0C/min -> 230 0C35 0C 10 0C/min -> 200 0C (20 min) 5 0C/min -> 230 0C (50 min)35C(2min) => 50C/min => 60C(2min) => 4C/min => 230C
I 657.656.650.622.655.
ReferenceMasanetz, Guth, et al., 1998Matsui, Guth, et al., 1998Reiners and Grosch, 1998Timón, Ventanas, et al., 1998Zehentbauer and Grosch, 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SPB-1SE-54DB-5SE-54SE-54
Column length (m) 60.30.50.30.30.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.530.320.320.320.32
Phase thickness (μm) 5. 0.250.250.25
Program 40C(6min) => 5C/min => 80C => 10C/min => 200C35C => 40C/min => 60C (1min) => 6C/min => 250C40C(10min) => 3C/min => 95C => 10C/min => 270C(10min)35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 240C35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 240C
I 637.650.629.652.652.
ReferenceFlanagan, Streete, et al., 1997Lizárraga-Guerra, Guth, et al., 1997Mateo, Aguirrezábal, et al., 1997Schermann and Schieberle, 1997Schermann and Schieberle, 1997
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-54DB-5DB-5Methyl SiliconeRSL-150
Column length (m) 30.50.50. 60.
Carrier gas HeHeHe He
Substrate      
Column diameter (mm) 0.320.320.32 0.32
Phase thickness (μm) 0.250.250.25 0.25
Program 35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 240C40C (10min) => 3C/min => 95C => 10C/min => 270C (10min)40C (10min) => 3C/min => 95C => 10C/min => 270C (10min)not specified30c (1.5min) => 20C/min => 55C => 6C/min => 200C(10min)
I 652.654.652.632.638.
ReferenceSchermann and Schieberle, 1997Mateo and Zumalacárregui, 1996Mateo and Zumalacárregui, 1996Misharina, 1995Buchbauer, Nikiforov, et al., 1994
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1DB-5DB-1SE-54SE-54
Column length (m) 60.30.60.30. 
Carrier gas  He He 
Substrate      
Column diameter (mm) 0.320.320.320.32 
Phase thickness (μm) 0.25 0.25  
Program not specified35C => 40C/min => 50C(2min) => 4C/min => 240C3 min at 5 C; 5 - 50 C at 3 deg/min; 50 - 220 C at 5 deg/min40 0C -> (unknowm rate) 50 0C (2 min) 6 0C/min -> 200 0Cnot specified
I 630.650.630.660.650.
ReferenceCiccioli, Cecinato, et al., 1994Schieberle and Grosch, 1994Ciccioli, Brancaleoni, et al., 1993Milo and Grosch, 1993Blank, Sen, et al., 1992
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SPB-1DB-1DB-1CP Sil 8 CBSF96+Igepal
Column length (m) 60.60.60.40.152.
Carrier gas Helium  He 
Substrate      
Column diameter (mm) 0.530.250.250.250.76
Phase thickness (μm) 5.00.250.250.25 
Program 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0Cnot specifiednot specified30 0C (1 min) 15 0C/min -> 45 0C 3 0C/min -> 120 0C25C(1min) => 5C/min => 50C (4min) => 1.25C/min => 180C
I 637.622.626.653.637.
ReferenceStrete, Ruprah, et al., 1992Kawai, Ishida, et al., 1991Kawai, Ishida, et al., 1991Weller and Wolf, 1989Flath, Altieri, et al., 1984
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type Capillary
Active phase SE-30
Column length (m) 50.
Carrier gas He
Substrate  
Column diameter (mm) 0.5
Phase thickness (μm)  
Program -10C (8min) => 12C/min => 26C => 3C/min => 170C (30min)
I 634.
ReferenceHeydanek and McGorrin, 1981
Comment 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.

Fang, Pu, et al., 2012
Fang, S.; Pu, B.; Chen, A.; Kangzhou, Ao; Xu, D., A box-behnken design for characterizing Chineser truffles (Tuber indicum) aroma by HS-SPME-GC-MS, J. Food Res., 2012, 1, 3, 219-229, https://doi.org/10.5539/jfr.v1n3p219 . [all data]

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Christlbauer, M.; Schieberle, P., Characterization of the key aroma compounds in beef and pork vegetable gravies a la chef by application of the aroma extract dilution analysis, J. Agric. Food Chem., 2009, 57, 19, 9114-9112, https://doi.org/10.1021/jf9023189 . [all data]

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Pugliese, C.; Sirtori, F.; Ruiz, J.; Martin, D.; Parenti, S.; Franci, O., Effect of pasture on chestnut or acorn on fatty acid composition and aromatic profile of fat of China Senece dry-cured ham, Gracas y Aceites, 2009, 60, 3, 271-276, https://doi.org/10.3989/gya.130208 . [all data]

Rotsatschakul, Visesanguan, et al., 2009
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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
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Ventanas, Estevez, et al., 2008
Ventanas, S.; Estevez, M.; Andres, A.I.; Ruiz, J., Analysis of volatile compounds of Iberian dry-cured loins with different intramuscular fat contents using SPME-DED, Meat Sci., 2008, 79, 1, 172-180, https://doi.org/10.1016/j.meatsci.2007.08.011 . [all data]

Xie, Sun, et al., 2008
Xie, J.; Sun, B.; Zheng, F.; Wang, S., Volatile flavor constituents in roasted pork of mini-pig, Food Chem., 2008, 109, 3, 506-514, https://doi.org/10.1016/j.foodchem.2007.12.074 . [all data]

Barra, Baldovini, et al., 2007
Barra, A.; Baldovini, N.; Loiseau, A.-M.; Albino, L.; Lesecq, C.; Cuvelier, L.L., Chemical analysis of French beans (Phaseolus vulgaris L.) by headspace solid phase microextraction (HS-SPME) and simultaneous distillation/extraction (SDE), Food Chem., 2007, 101, 3, 1279-1284, https://doi.org/10.1016/j.foodchem.2005.12.027 . [all data]

Cajka, Hajslova, et al., 2007
Cajka, T.; Hajslova, J.; Cochran, J.; Holadova, K.; Klimankova, E., Solid phase microextraction - comprehensive two dimensional gas chromatography - time-of-flight mass spectrometry for the analysis of honey volatiles, J. Sep. Sci., 2007, 30, 4, 534-546, https://doi.org/10.1002/jssc.200600413 . [all data]

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Carrapiso, A.I.; Garsia, C., Effect of sampling conditions on the odour-active compounds of iberian ham, Cienc. Technol. Aliment., 2007, 5, 4, 287-290, https://doi.org/10.1080/11358120709487703 . [all data]

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Lasekan, O.; Buettner, A.; Christlbauer, M., Investigation of important odorants of palm wine (Elaeis guineensis), Food Chem., 2007, 105, 1, 15-23, https://doi.org/10.1016/j.foodchem.2006.12.052 . [all data]

Liu, Xu, et al., 2007
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Pellicer, 2007
Pellicer, L.V., Comparison of Sensory Characteristics, and Instrumental flavor Compounds Analysis of Milk Produced by Three Proction Methods. A Thesis presented to the Faculty of the Graduate School University of Missouri-Columbia, 2007, retrieved from http://edit.missouri,edu/Winter2007/Theses/ValverdePellicerL-053107-T6722/research.pdf. [all data]

Splivallo, Bossi, et al., 2007
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van Ruth, Floris, et al., 2006
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Blunden, Aneja, et al., 2005
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Cramer, Mattinson, et al., 2005
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Duflos, Moine, et al., 2005
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Iraqi, Vermeulen, et al., 2005
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Jelen and Grabarkiewicz-Szczesna, 2005
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Riu-Aumatell, Lopez-Tamames, et al., 2005
Riu-Aumatell, M.; Lopez-Tamames, E.; Buxaderas, S., Assessment of the Volatile Composition of Juices of Apricot, Peach, and Pear According to Two Pectolytic Treatments, J. Agric. Food Chem., 2005, 53, 20, 7837-7843, https://doi.org/10.1021/jf051397z . [all data]

Thierry, Maillard, et al., 2005
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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]

Junkes, Amboni, et al., 2004
Junkes, B.S.; Amboni, R.D.M.C.; Yunes, R.A.; Heinzen, V.E.F., Application of the semi-empirical topological index in quantitative structure-chromatographic retention relationship (QSRR) studies of aliphatic ketones and aldehydes on stationary phases of different polarity, J. Braz. Chem. Soc., 2004, 15, 2, 183-189, https://doi.org/10.1590/S0103-50532004000200005 . [all data]

Machiels, Istasse, et al., 2004
Machiels, D.; Istasse, L.; van Ruth, S.M., Gas chromatography-olfactometry analysis of beef meat originating from differently fed Belgian Blue, Limousin and Aberdeen Angus bulls, Food Chem., 2004, 86, 3, 377-383, https://doi.org/10.1016/j.foodchem.2003.09.011 . [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Begnaud, Pérès, et al., 2003
Begnaud, F.; Pérès, C.; Berdagué, J.-L., Characterization of volatile effluents of livestock buildings by solid-phase microextraction, Int. J. Environ. Anal. Chem., 2003, 83, 10, 837-849, https://doi.org/10.1080/03067310310001603349 . [all data]

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Notes

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