Butanoic acid

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Normal alkane RI, non-polar column, custom temperature program

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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 SLB-5 MSSLB-5 MSPolydimethyl siloxane with 5 % Ph groupsPolydimethyl siloxane with 5 % Ph groupsHP-5 MS
Column length (m) 30.30.  30.
Carrier gas HeliumHelium  Helium
Column diameter (mm) 0.250.25  0.32
Phase thickness (μm) 0.250.25  0.25
Program not specifiednot specifiednot specifiednot specifiednot specified
I 773.777.789.802.790.
ReferenceMondello, 2012Mondello, 2012Robinson, Adams, et al., 2012Robinson, Adams, et al., 2012Pino, Marquez, et al., 2010
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5SE-54HP-5HP-5HP-5
Column length (m)
Carrier gas HydrogenHeliumHeliumHeliumHelium
Column diameter (mm) 0.320.320.320.250.32
Phase thickness (μm) 0.500.
Program 40 0C (5 min) 4 0C/min -> 100 0C 6 0C/min -> 220 0C (20 min)35 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)40 0C (10 min) 5 0C/min -> 200 0C 15 0C/min -> 250 0C (10 min)
I 821.821.788.781.780.
ReferenceSan-Juan, Petka, et al., 2010Christlbauer and Schieberle, 2009Pugliese, Sirtori, et al., 2009Rotsatschakul, Visesanguan, et al., 2009Ventanas, Estevez, et al., 2008
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-5SE-54SE-54HP-1
Column length (m)
Carrier gas  He  He
Column diameter (mm) 0.320.250.320.320.32
Phase thickness (μm)
Program 40C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C(10min)40C(1min) => 7C/min => 110C => 5C/min => 180C => 10C/min => 240C(10min)35C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 10C/min => 230C(10min)35C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 10C/min => 230C(10min)40C => 2C/min => 130C => 4C/min => 250C (25min)
I 821.821.821.821.804.
ReferenceBuettner, 2007Greger and Schieberle, 2007Lasekan, Buettner, et al., 2007Lasekan, Buettner, et al., 2007Senger-Emonnot, Rochard, et al., 2006
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5SE-54HP-1HP-5DB-5
Column length (m)
Carrier gas  He   
Column diameter (mm)  0.320.20.320.32
Phase thickness (μm)
Program not specified40C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 15C/min => 230C (10min)35C(3min) => 4C/min => 190C => 30C/min => 225C(3min)40C(10min) => 5C/min => 200C => 20C/min => 250C(5min)40C(10min) => 5C/min => 200C => 20C/min => 250C (5min)
I 820.821.823.788.788.
ReferenceRiu-Aumatell, Lopez-Tamames, et al., 2005Buettner, 2004Carpino, Mallia, et al., 2004Garcia-Estaban, Ansorena, et al., 2004Garcia-Estaban, Ansorena, et al., 2004, 2
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-30DB-1SPB-5DB-5 MSDB-5
Column length (m)
Carrier gas  H2 Helium 
Column diameter (mm)  0.250.320.250.53
Phase thickness (μm)
Program not specified40C(10min) => 2C/min => 110C => 5C/min => 200C(10min)not specifiednot specified-40C(10min) => 70C/min => 40C(5min) => 3C/min => 180C => 6C/min => 280C(5min)
I 800.786.779.814.784.
ReferenceVinogradov, 2004Alves and Franco, 2003Begnaud, Pérès, et al., 2003Luo and Agnew, 2001Young and Baumeister, 1999
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5DB-5SE-54DB-5DB-5
Column length (m)
Carrier gas HeHeHeHeHe
Column diameter (mm) 0.320.320.320.320.32
Phase thickness (μm) 0.520.
Program 35 0C 10 0C/min -> 200 0C (20 min) 5 0C/min -> 230 0C (50 min)40C(10min) => 3C/min => 95C => 10C/min => 270C(10min)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)
I 792.784.821.789.791.
ReferenceTimón, Ventanas, et al., 1998Mateo, Aguirrezábal, et al., 1997Schermann and Schieberle, 1997Mateo and Zumalacárregui, 1996Mateo and Zumalacárregui, 1996
Column type CapillaryCapillaryCapillary
Active phase DB-1DB-1SE-54
Column length (m) 60.60.50.
Carrier gas   He
Column diameter (mm) 0.320.320.32
Phase thickness (μm) 0.250.25 
Program not specified3 min at 5 C; 5 - 50 C at 3 deg/min; 50 - 220 C at 5 deg/min35 0C (5 min) 8 0C/min -> 200 0C 2 0C/min -> 250 0C
I 797.797.793.
ReferenceCiccioli, Cecinato, et al., 1994Ciccioli, Brancaleoni, et al., 1993Um, Bailey, et al., 1992


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.

Mondello, 2012
Mondello, L., HS-SPME-GCxGC-MS analysis of Yerba Mate (Ilex paraguariensis) in Shimadzu GC-GC application compendium of comprehensive 2D GC, Vol. 1-5, Shimadzu Corp., 2012, 1-29. [all data]

Robinson, Adams, et al., 2012
Robinson, A.L.; Adams, D.O.; Boss, P.K.; Heymann, H.; Solomon, P.S.; Trengove, R.D., Influence of geographic origine on the sensory characteristics and wine composition of Vitus viniferas cv. Cabernet Sauvignon wines from Australia (Supplemental data), Am. J. Enol. Vitic., 2012, 64, 4, 467-476, https://doi.org/10.5344/ajev.2012.12023 . [all data]

Pino, Marquez, et al., 2010
Pino, J.A.; Marquez, E.; Quijano, C.E.; Castro, D., Volatile compounds in noni (Morinda citrifolia L.) at two ripening stages, Ciencia e Technologia de Alimentos, 2010, 30, 1, 183-187, https://doi.org/10.1590/S0101-20612010000100028 . [all data]

San-Juan, Petka, et al., 2010
San-Juan, F.; Petka, J.; Cacho, J.; Ferreira, V.; Escudero, A., Producing headspace extracts for the gas chromatography - olphactometric evaluation of wine aroma, Food Chemistry, 2010, 123, 1, 188-195, https://doi.org/10.1016/j.foodchem.2010.03.129 . [all data]

Christlbauer and Schieberle, 2009
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]

Pugliese, Sirtori, et al., 2009
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
Rotsatschakul, P.; Visesanguan, W.; Smitinont, T.; Chaiseri, S., Changes in volatile compounds during fermentation of nham (Thai fermented sausage), Int. Food Res. J., 2009, 16, 391-414. [all data]

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]

Buettner, 2007
Buettner, A., A selective and sensitive approach to characterize odour-active and volatile constituents in small-scale human milk samples, Flavour Fragr. J., 2007, 22, 6, 465-473, https://doi.org/10.1002/ffj.1822 . [all data]

Greger and Schieberle, 2007
Greger, V.; Schieberle, P., Characterization of the Key Aroma Compounds in Apricots (Prunus armeniaca) by Application of the Molecular Sensory Science Concept, J. Agric. Food Chem., 2007, 55, 13, 5221-5228, https://doi.org/10.1021/jf0705015 . [all data]

Lasekan, Buettner, et al., 2007
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]

Senger-Emonnot, Rochard, et al., 2006
Senger-Emonnot, P.; Rochard, S.; Pellegrin, F.; George, G.; Fernandez, X.; Lizzani-Cuvelier, L., Odour active aroma compounds of sea fig (Microcosmus sulcatus), Food Chem., 2006, 97, 3, 465-471, https://doi.org/10.1016/j.foodchem.2005.05.026 . [all data]

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]

Buettner, 2004
Buettner, A., Investigation of potent odorants and afterodor development in two chardonnay wines using the Buccal Odor Screening System (BOSS), J. Agric. Food Chem., 2004, 52, 8, 2339-2346, https://doi.org/10.1021/jf035322b . [all data]

Carpino, Mallia, et al., 2004
Carpino, S.; Mallia, S.; La Terra, S.; Melilli, C.; Licitra, G.; Acree, T.E.; Barbano, D.M.; van Soest, P.J., Composition and aroma compounds of ragusano cheese: native pasture and total mixed rations, J. Dairy Sci., 2004, 87, 4, 816-830, https://doi.org/10.3168/jds.S0022-0302(04)73226-9 . [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]

Alves and Franco, 2003
Alves, G.L.; Franco, M.R.B., Headspace gas chromatography-mass spectrometry of volatile compounds in murici (Byrsonima crassifolia L. Rich), J. Chromatogr. A, 2003, 985, 1-2, 297-301, https://doi.org/10.1016/S0021-9673(02)01398-5 . [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]

Luo and Agnew, 2001
Luo, J.; Agnew, M.P., Gas characteristics before and after biofiltration treating odorous emissions from animal rendering processes, Environ. Technol., 2001, 22, 9, 1091-1103, https://doi.org/10.1080/09593332208618220 . [all data]

Young and Baumeister, 1999
Young, O.A.; Baumeister, B.M.B., The effect of diet on the flavour of cooked beef and the odour compounds in beef fat, N.Z. J. Agric. Res., 1999, 42, 3, 297-304, https://doi.org/10.1080/00288233.1999.9513379 . [all data]

Timón, Ventanas, et al., 1998
Timón, M.L.; Ventanas, J.; Martín, L.; Tejeda, J.F.; García, C., Volatile compounds in supercritical carbon dioxide extracts of Iberian ham, J. Agric. Food Chem., 1998, 46, 12, 5143-5150, https://doi.org/10.1021/jf980652v . [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]

Mateo and Zumalacárregui, 1996
Mateo, J.; Zumalacárregui, J.M., Volatile compounds in chorizo and their changes during ripening, Meat Sci., 1996, 44, 4, 255-273, https://doi.org/10.1016/S0309-1740(96)00028-9 . [all data]

Ciccioli, Cecinato, et al., 1994
Ciccioli, P.; Cecinato, A.; Brancaleoni, E.; Brachetti, A.; Frattoni, M.; Sparapani, R., Composition and Distribution of Polar and Non-Polar VOCs in Urban, Rural, Forest and Remote Areas, Eur Commission EUR, 1994, 549-568. [all data]

Ciccioli, Brancaleoni, et al., 1993
Ciccioli, P.; Brancaleoni, E.; Cecinato, A.; Sparapani, R.; Frattoni, M., Identification and determination of biogenic and anthropogenic volatile organic compounds in forest areas of Northern and Southern Europe and a remote site of the Himalaya region by high-resolution gas chromatography-mass spectrometry, J. Chromatogr., 1993, 643, 1-2, 55-69, https://doi.org/10.1016/0021-9673(93)80541-F . [all data]

Um, Bailey, et al., 1992
Um, K.W.; Bailey, M.E.; Clarke, A.D.; Chao, R.R., Concentration and identification of volatile compounds from heated beef fat using supercritical CO2 extraction-gas liquid chromatography/mass spectrometry, J. Agric. Food Chem., 1992, 40, 9, 1641-1646, https://doi.org/10.1021/jf00021a033 . [all data]


Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References