Butanoic acid, 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 CP-Sil 5 CBCP-Sil 5 CBSLB-5 MSSLB-5 MSSiloxane, 5 % Ph
Column length (m) 50.50.30.30. 
Carrier gas NitrogenNitrogenHeliumHelium 
Substrate      
Column diameter (mm) 0.320.320.250.25 
Phase thickness (μm) 1.201.200.250.25 
Program 36 0C 20 0C/min -> 85 0C 1 0C/min -> 145 0C 3 0C/min -> 250 0C (30 min)36 0C 20 0C/min -> 85 0C 1 0C/min -> 145 0C 3 0C/min -> 250 0Cnot specifiednot specifiednot specified
I 812.808.834.842.829.
ReferenceCollin, Nizet, et al., 2012Collin, Nizet, et al., 2012, 2Mondello, 2012Mondello, 2012VOC BinBase, 2012
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase  CP-Sil 8 CBHP-5 MSPolydimethyl siloxane, 5 % phenylHP-5 MS
Column length (m)  30.30. 30.
Carrier gas  HydrogenHelium Helium
Substrate      
Column diameter (mm)  0.250.25 0.32
Phase thickness (μm)  0.250.25 0.25
Program not specified30 0C 3 0C/min -> 150 0C 20 0C/min -> 220 0C40 0C (10 min) 3 0C/min -> 200 0C 2 0C/min -> 220 0Cnot specifiednot specified
I 828.866.840.829.836.
ReferenceBrandi, Bar, et al., 2011de Freitas, Garruti, et al., 2011Nance and Setzer, 2011Skogerson, Wohlgemuth, et al., 2011Pino, Marquez, et al., 2010
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5SE-545 % Phenyl methyl siloxaneHP-5CP-Sil 5 Cb
Column length (m) 30.30.30.50.50.
Carrier gas HydrogenHeliumHeliumHeliumNitrogen
Substrate      
Column diameter (mm) 0.320.320.250.320.32
Phase thickness (μm) 0.500.250.251.051.20
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 0C50 0C (2 min) 10 0C/min -> 150 0C 15 0C/min -> 300 0C (10 min)not specified40 0C 20 0C/min -> 85 0C 1 0C/min -> 145 0C 3 0C/min -> 250 0C (30 min)
I 898.875.834.841.807.
ReferenceSan-Juan, Petka, et al., 2010Christlbauer and Schieberle, 2009Huang, Qin, et al., 2009Pugliese, Sirtori, et al., 2009Collin, Nizet, et al., 2008
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5HP-5DB-5DB-5DB-5
Column length (m) 50.30.30.30.30.
Carrier gas Helium   He
Substrate      
Column diameter (mm) 0.320.250.320.320.25
Phase thickness (μm) 1.050.250.250.250.25
Program 40 0C (10 min) 5 0C/min -> 200 0C 15 0C/min -> 250 0C (10 min)40 0C (2 min) 5 0C/min -> 80 0C 7 oC/min -> 160 0C 9 0C/min -> 200 0C 20 0C/min -> 280 0C (10 min)40C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C(10min)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)
I 831.869.875.875.878.
ReferenceVentanas, Estevez, et al., 2008Zhao, Li, et al., 2008Buettner, 2007Buettner, 2007Greger and Schieberle, 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-54HP-5MSCP-Sil5 CB MSSE-54SE-54
Column length (m) 30.30.50.30.30.
Carrier gas  He HeHe
Substrate      
Column diameter (mm) 0.320.250.320.320.32
Phase thickness (μm) 0.250.251.20.250.25
Program 35C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 10C/min => 230C(10min)40C(3min) => 2C/min => 180C => 10C/min => 250C(5min)36C(2min) => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C(30min)40C (2min) => 40C/min => 50C(2min) => 6C/min => 180C => 15C/min => 230C(10min)40C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 15C/min => 230C (10min)
I 875.875.807.875.875.
ReferenceLasekan, Buettner, et al., 2007Alissandrakis, Kibaris, et al., 2005Iraqi, Vermeulen, et al., 2005Buettner and Welle, 2004Buettner, 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-54CP Sil 5 CBMFE-73HP-5DB-5
Column length (m) 30.50. 50.50.
Carrier gas He    
Substrate      
Column diameter (mm) 0.320.32 0.320.32
Phase thickness (μm) 0.251.2 1.051.05
Program 40C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 15C/min => 230C (10min)36C => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C(30min)not specified40C(10min) => 5C/min => 200C => 20C/min => 250C(5min)40C(10min) => 5C/min => 200C => 20C/min => 250C (5min)
I 875.806.898.841.841.
ReferenceBuettner, 2004Counet, Ouwerx, et al., 2004Escudero, Gogorza, et al., 2004Garcia-Estaban, Ansorena, et al., 2004Garcia-Estaban, Ansorena, et al., 2004, 2
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-30SPB-5HP-5BPX-5HP-5MS
Column length (m)  60.30.60.30.
Carrier gas    HeHe
Substrate      
Column diameter (mm)  0.320.250.320.25
Phase thickness (μm)  1.0.251.0.25
Program not specifiednot specified40C(6min) => 2.5C/min => 150C => 90C/min => 250C40C (4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250 C (10min)40C(5min) => 2C/min => 120C => 10C/min => 210C (30min)
I 856.833.839.876.869.
ReferenceVinogradov, 2004Begnaud, Pérès, et al., 2003Jordán, Margaría, et al., 2003Machiels, van Ruth, et al., 2003Martí, Mestres, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5MSDB-5MFE-73DB-5DB-5
Column length (m) 30.30. 30.30.
Carrier gas   H2  
Substrate      
Column diameter (mm) 0.250.53 0.200.20
Phase thickness (μm) 1.1.5 1.01.0
Program 50C => 3C/min => 160C => 6C/min => 250C => 25C/min => 325C-5C(1min) => 4C/min => 50C => 6C/min => 120C => 8C/min => 250C(2min)not specifiednot specifiednot specified
I 837.869.898.876.876.
ReferenceYoung, Lane, et al., 2003Bücking and Steinhart, 2002Ferreira, Ortín, et al., 2002Rapior, Breheret, et al., 2002Rapior, Breheret, et al., 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5MSMFE-73HP-5CP Sil 5 CBOV-101
Column length (m) 30.30.30.50. 
Carrier gas HeH2HeHe 
Substrate      
Column diameter (mm) 0.250.320.250.32 
Phase thickness (μm) 0.250.10.25  
Program 40C (10min) => 3C/min => 120C => 10C/min => 250C (5min)40 C (5min) => 2C/min => 120C => 10 C/min => 210 C (30min)40C (10min) => 3C/min => 120C => 10C/min => 250C (5min)30C => 55C/min => 85C => 1C/min => 145C => 3C/min => 250Cnot specified
I 845.898.848.812.842.
ReferenceAnsorena, Gimeno, et al., 2001Ferreira, Aznar, et al., 2001Ansorena, Astiasarán, et al., 2000Guyot, Scheirman, et al., 1999Licker, Acree, et al., 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5HP-5DB-5SE-54DB-5
Column length (m) 30.50.50.30.50.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.320.320.320.320.32
Phase thickness (μm) 0.250.520.250.250.25
Program 35C(1min) => 40C/min => 60C (1min) => 6C/min => 230C35 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)
I 871.861.845.877.843.
ReferenceMatsui, Guth, et al., 1998Timón, Ventanas, et al., 1998Mateo, Aguirrezábal, et al., 1997Schermann and Schieberle, 1997Mateo and Zumalacárregui, 1996
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-1DB-1SE-54SE-54
Column length (m) 50.60.60. 50.
Carrier gas He   He
Substrate      
Column diameter (mm) 0.320.320.32 0.32
Phase thickness (μm) 0.250.250.25  
Program 40C (10min) => 3C/min => 95C => 10C/min => 270C (10min)not specified3 min at 5 C; 5 - 50 C at 3 deg/min; 50 - 220 C at 5 deg/minnot specified35 0C (5 min) 8 0C/min -> 200 0C 2 0C/min -> 250 0C
I 848.851.851.860.858.
ReferenceMateo and Zumalacárregui, 1996Ciccioli, Cecinato, et al., 1994Ciccioli, Brancaleoni, et al., 1993Blank, Sen, et al., 1992Um, Bailey, et al., 1992
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI 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.

Collin, Nizet, et al., 2012
Collin, S.; Nizet, S.; Gros, J., Le houblonnage a cru des bieres speciales belges est bien plus qu'une simple dissolution des composes aromatiques du houblon (in Flamish), Cerevisia, 2012, 36, 4, 119-124, https://doi.org/10.1016/j.cervis.2011.12.001 . [all data]

Collin, Nizet, et al., 2012, 2
Collin, S.; Nizet, S.; Bouuaert, T.C.; Despartures, P.-M., MAin odorants in Jura Flor-Sherry wines. Relative contributions of sotolon, abhexon, and theaspirane-derived compounds, J. Agr. Food Chem., 2012, 60, 1, 380-381, https://doi.org/10.1021/jf203832c . [all data]

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]

VOC BinBase, 2012
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Brandi, Bar, et al., 2011
Brandi, F.; Bar, E.; Mourgues, F.; Horvath, G.; Turcsi, E.; Giuliano, G.; Liverani, A.; Tartarini, S.; Lewinsohn, E.; Rosati, C., Study of Redhaven peach and its white-fleshed mutant suggests a key role of CCD4 carotenoid dioxygenase in carotenoid and norisoprenoid volatile metabolism, BMC Plant Biol., 2011, 11, 24, 1-14. [all data]

de Freitas, Garruti, et al., 2011
de Freitas, V.M.; Garruti, D. dosS.; Souza Neto, M.A.; Facundo, H.V. daV.; Correia, J.M., Stability of volatile profile and sensory properties of passion fruit during storage in glass bottles, Ciencia e Tecnologia de Alimentos, Campinas, 2011, 31, 2, 349-354, https://doi.org/10.1590/S0101-20612011000200011 . [all data]

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Nance, M.R.; Setzer, W.N., Volatile components of aroma hops (Humulus lupulus L.) commonly used in beer brewing, J. of Brewing and Distilling, 2011, 2, 2, 16-22. [all data]

Skogerson, Wohlgemuth, et al., 2011
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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]

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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]

Huang, Qin, et al., 2009
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Collin, Nizet, 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]

Zhao, Li, et al., 2008
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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
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Alissandrakis, Kibaris, et al., 2005
Alissandrakis, E.; Kibaris, A.C.; Tarantilis, P.A.; Harizanis, P.C.; Polissiou, M., Flavour compounds of Greek cotton honey, J. Sci. Food Agric., 2005, 85, 9, 1444-1452, https://doi.org/10.1002/jsfa.2124 . [all data]

Iraqi, Vermeulen, et al., 2005
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Buettner and Welle, 2004
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Buettner, 2004
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Counet, Ouwerx, et al., 2004
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Garcia-Estaban, Ansorena, et al., 2004
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Garcia-Estaban, Ansorena, et al., 2004, 2
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Begnaud, Pérès, et al., 2003
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Jordán, Margaría, et al., 2003
Jordán, M.J.; Margaría, C.A.; Shaw, P.E.; Goodner, K.L., Volatile components and aroma active compounds in aqueous essence and fresh pink guava fruid puree (Psidium guajava L.) by GC-MS and multidimensional GC/GC-O, J. Agric. Food Chem., 2003, 51, 5, 1421-1426, https://doi.org/10.1021/jf020765l . [all data]

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Martí, Mestres, et al., 2003
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Young, Lane, et al., 2003
Young, O.A.; Lane, G.A.; Priolo, A.; Fraser, K., Pastoral and species flavour in lambs raised on pasture, lucerne or maize, J. Sci. Food Agric., 2003, 83, 2, 93-104, https://doi.org/10.1002/jsfa.1282 . [all data]

Bücking and Steinhart, 2002
Bücking, M.; Steinhart, H., Headspace GC and sensory analysis characterization of the influence of different milk additives on the flavor release of coffee beverages, J. Agric. Food Chem., 2002, 50, 6, 1529-1534, https://doi.org/10.1021/jf011117p . [all data]

Ferreira, Ortín, et al., 2002
Ferreira, V.; Ortín, N.; Escudero, A.; López, R.; Cacho, J., Chemical characterization of the aroma of grenache Rosé wines: aroma extract dilution analysis, quantitative determination, and sensory reconstitution studies, J. Agric. Food Chem., 2002, 50, 14, 4048-4054, https://doi.org/10.1021/jf0115645 . [all data]

Rapior, Breheret, et al., 2002
Rapior, S.; Breheret, S.; Talou T.; Pelissier, Y.; Bessiere, J.-M., The anise-like odor of Clitocybe odora, Lentinellus cochleatus and Agaricus essettei, Mycologia, 2002, 94, 3, 373-376, https://doi.org/10.2307/3761770 . [all data]

Ansorena, Gimeno, et al., 2001
Ansorena, D.; Gimeno, O.; Astiasarán, I.; Bello, J., Analysis of volatile compounds by GC-MS of a dry fermented sausage: chorizo de Pamplona, Food Res. Int., 2001, 34, 1, 67-75, https://doi.org/10.1016/S0963-9969(00)00133-2 . [all data]

Ferreira, Aznar, et al., 2001
Ferreira, V.; Aznar, M.; López, R.; Cacho, J., Quantitative gas chromatography-olfactometry carried out at different dilutions of an extract. Differences in the odor profiles of four high-quality spanish aged red wines, J. Agric. Food Chem., 2001, 49, 10, 4818-4824, https://doi.org/10.1021/jf010283u . [all data]

Ansorena, Astiasarán, et al., 2000
Ansorena, D.; Astiasarán, I.; Bello, J., Influence of the simultaneous addition of the protease flavourzyme and the lipase novozyme 677BG on dry fermented sausage compounds extracted by SDE and analyzed by GC-MS, J. Agric. Food Chem., 2000, 48, 6, 2395-2400, https://doi.org/10.1021/jf990931y . [all data]

Guyot, Scheirman, et al., 1999
Guyot, C.; Scheirman, V.; Collin, S., Floral origin markers of heather honeys: Calluna vulgaris and Erica arborea, Food Chem., 1999, 64, 1, 3-11, https://doi.org/10.1016/S0308-8146(98)00122-8 . [all data]

Licker, Acree, et al., 1998
Licker, J.L.; Acree, T.E.; Henick-Kling, T., What is Brett (Brettanomyces) flavor?, Am. Chem. Soc. Symp. Ser., 1998, 714, 96-115. [all data]

Matsui, Guth, et al., 1998
Matsui, T.; Guth, H.; Grosch, W., A comparative study of potent odorants in peanut, hazelnut, and pumpkin seed oils on the basis of aroma extract dilution analysis (AEDA) and gas chromatography-olfactometry of headspace samples (GCOH), Lipid - Fett, 1998, 100, 2, 51-56, https://doi.org/10.1002/(SICI)1521-4133(199802)100:2<51::AID-LIPI51>3.0.CO;2-W . [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
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Mateo and Zumalacárregui, 1996
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Notes

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