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Butanoic acid, 2-methyl-

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Normal alkane RI, 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 DB-WaxHP-FFAPSOLGel-WaxSOLGel-WaxDB-Wax
Column length (m) 60.25.30.30.30.
Carrier gas HeliumHeliumHeliumHeliumHydrogen
Substrate      
Column diameter (mm) 0.200.320.250.250.25
Phase thickness (mum) 0.250.500.250.250.25
Program 40 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 220 0C (20 min) 5 0C/min -> 230 0C45 0C (2 min) 3 0C/min -> 130 0C (1 min) 20 0C/min -> 220 0C (3 min) 20 0C/min -> 230 0C (3 min)40 0C (2 min) 5 0C/min -> 140 0C 10 0C/min -> 250 0C (3 min)not specified35 0C (9 min) 5 0C/min -> 80 0C 1 0C/min -> 100 0C 16 0C/min -> 210 0C (20 min)
I 1668.1662.1677.1682.1667.
ReferenceGyawali and Kim, 2012Toontom, Meenune, et al., 2012Johanningsmeier and McFeeters, 2011Johanningsmeier and McFeeters, 2011Sampaio, Garruti, et al., 2011
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxDB-WaxDB-WaxFFAP
Column length (m)  30.30.60. 
Carrier gas  Hydrogen HeliumHelium
Substrate      
Column diameter (mm)  0.320.320.25 
Phase thickness (mum)  0.500.500.50 
Program not specified40 0C (5 min) 4 0C/min -> 100 0C 6 0C/min -> 220 0C (20 min)40 0C (5 min) 4 0C/min -> 100 0C 6 0C/min -> 220 0C (40 min)40 0C (3 min) 10 0C/min -> 90 0C 2 0C/min -> 230 0C (37 min)not specified
I 1634.1675.1675.1677.1646.
ReferenceParker, Tsormpatsidis, et al., 2010San-Juan, Petka, et al., 2010Ferreira, Juan, et al., 2009Loscos, Hernandez-Orte, et al., 2009Frauendorfer and Schieberle, 2008
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-FFAPDB-FFAPDB-FFAPDB-Wax EtrDB-Wax
Column length (m) 30.30.30.60.30.
Carrier gas  He HeHe
Substrate      
Column diameter (mm) 0.320.320.320.250.25
Phase thickness (mum) 0.250.250.250.50.25
Program 40C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C(10min)40C(1min) => 7C/min => 180C => 10C/min => 240C (10min)35C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 10C/min => 230C(10min)40C(3min) => 10C/min => 90C => 2C/min => 230C (37min)50 0C (2 min) 6 0C/min -> 150 0C 8 0C/min -> 230 0C (15 min)
I 1661.1662.1661.1677.1667.
ReferenceBuettner, 2007Greger and Schieberle, 2007Lasekan, Buettner, et al., 2007Loskos, Hernandez-Orte, et al., 2007Tian, Zhang, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxDB-FFAPDB-FFAPPEG-20M
Column length (m) 30.30.30.30.30.
Carrier gas HeHeHeHe 
Substrate      
Column diameter (mm) 0.320.320.320.320.25
Phase thickness (mum) 0.250.250.250.250.25
Program 45C(5min) => 5C/min => 150C => 10C/min => 240C (10min)40 0C (2 min) 6 K/min -> 190 0C 12 K/min -> 240 0C40C(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)50C(8min) => 4C/min => 110C => 16C/min => 200C
I 1671.1661.1660.1661.1674.
ReferenceKrings, Zelena, et al., 2006Steinhaus and Schieberle, 2005Buettner, 2004Buettner, 2004Garruti, Franco, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase FFAPDB-WaxDB-WaxCarbowax 20MCP-Wax 52CB
Column length (m) 30.30.30.50.50.
Carrier gas He  N2 
Substrate      
Column diameter (mm) 0.320.250.250.20.32
Phase thickness (mum) 0.250.250.250.21.2
Program 35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 230C (10min)50C(4min) => 4C/min => 130C => 1C/min => 190C => 4C/min => 220C(20min)50C(4min) => 4C/min => 130C => 1C/min => 190C => 4C/min => 220C(20min)60C => 2C/min => 150C => 4C/min => 220C40C(10min) => 3C/min => 190C => 10C/min => 250C(5min)
I 1660.1662.1665.1625.1686.
ReferenceBuettner and Schieberle, 2001Mayorga, Knapp, et al., 2001Mayorga, Knapp, et al., 2001Teai, Claude-Lafontaine, et al., 2001Muresan, Eillebrecht, et al., 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase FFAPFFAPDB-FFAPFFAPFFAP
Column length (m) 25.25.30.30.30.
Carrier gas  He HeHe
Substrate      
Column diameter (mm) 0.320.320.320.320.32
Phase thickness (mum) 0.30.250.250.250.25
Program 35C (2min) => 40C/min => 60C(1min) => 6C/min => 230C35C(2min) => 40C/min => 60C(2min) => 6C/min => 230C35C (1min) => 40C/min => 60C (1min) => 6C/min => 250C (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 1668.1651.1657.1652.1652.
ReferenceReiners and Grosch, 1998Zehentbauer and Grosch, 1998Guth, 1997Schermann and Schieberle, 1997Schermann and Schieberle, 1997
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillary
Active phase FFAPFFAPFFAP
Column length (m)  30. 
Carrier gas  He 
Substrate    
Column diameter (mm)  0.32 
Phase thickness (mum)    
Program not specified35C => 40C/min => 60C(2min) => 4C/min => 240Cnot specified
I 1657.1665.1657.
ReferenceGuth and Grosch, 1994Schieberle and Grosch, 1994Guth and Grosch, 1993
Comment MSDC-RI MSDC-RI MSDC-RI

References

Go To: Top, Normal alkane RI, 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.

Gyawali and Kim, 2012
Gyawali, R.; Kim, K.-S., Bioactive volatile compounds of three medicinal plants from Nepal, Kathmandu Univ. J. Sci., Engineering and Technol., 2012, 8, 1, 51-62. [all data]

Toontom, Meenune, et al., 2012
Toontom, N.; Meenune, M.; Posri, W.; Lertsiri, S., Effect of drying method on physical and chemical quality, hotness and volatile flavour characteristics of dried chili, Int. Food Res. J., 2012, 19, 3, 1023-1031. [all data]

Johanningsmeier and McFeeters, 2011
Johanningsmeier, S.D.; McFeeters, R.F., Detection of volatile spoilage metabolites in fermented cucumbers using nontargeted, comprehensive 2-dimensional gas chromatography-time-of-flight mass spectrometry (GCxGCxTOFMS), J. Food Sci., 2011, 76, 1, c168-c177, https://doi.org/10.1111/j.1750-3841.2010.01918.x . [all data]

Sampaio, Garruti, et al., 2011
Sampaio, K.S.; Garruti, D.S.; Franco, M.R.B.; Janzantti, N.S.; Da Silva, M.A.AP., Aroma volatiles recovered in the water phase of cashew apple (Anacardium occidentale L.) juice during concentration, J. Sci. Food Agric., 2011, 91, 10, 1801-1809, https://doi.org/10.1002/jsfa.4385 . [all data]

Parker, Tsormpatsidis, et al., 2010
Parker, J.K.; Tsormpatsidis, E.; Elmore, J.S.; Wagstaffe, A.; Mottram, D.S., Solid-phase extraction as a routine method for comparing key aroma compounds in fruits in Expression of Multidisciplinary Flavour Science, Blank, I.; Wust, M.; Yeretzian C., ed(s)., Zurcher Hochschule fur Angewandte Wissenschaften, Wadenswil, Switzerland, 2010, 521-524. [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]

Ferreira, Juan, et al., 2009
Ferreira, V.; Juan, F.S.; Escudero, A.; Cullere, L.; Fernandez-Zurbano, P.; Saenz-Navajas, M.P.; Cacho, J., Modeling quality of premium Spanish red wines from gas chromatography-olfactometry data, J. Agr. Food. Chem., 2009, 57, 16, 7490-7498, https://doi.org/10.1021/jf9006483 . [all data]

Loscos, Hernandez-Orte, et al., 2009
Loscos, N.; Hernandez-Orte, P.; Cacho, J.; Ferreira, V., Fate of grape flavor precursors during storage on yeast lees, J. Agric. Food Chem., 2009, 57, 12, 5468-5479, https://doi.org/10.1021/jf804057q . [all data]

Frauendorfer and Schieberle, 2008
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]

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]

Loskos, Hernandez-Orte, et al., 2007
Loskos, N.; Hernandez-Orte, P.; Cacho, J.; Ferreira, V., Release and formation of varietal aroma compounds during alcoholic fermentation from nonfloral grape odorless flavor precursors fractions, J. Agric. Food Chem., 2007, 55, 16, 6674-6684, https://doi.org/10.1021/jf0702343 . [all data]

Tian, Zhang, et al., 2007
Tian, Y.; Zhang, X.; Huang, T.; Zou, K.; Zhou, J., Research advances on the essential oils from leaves of Eucalyptus, Food Fermentation Ind. (Chinese), 2007, 33, 10, 143-147. [all data]

Krings, Zelena, et al., 2006
Krings, U.; Zelena, K.; Wu, S.; Berger, R.G., Thin-layer high-vacuum distillation to isolate volatile flavour compounds of cocoa powder, Eur. Food Res. Technol., 2006, 223, 5, 675-681, https://doi.org/10.1007/s00217-006-0252-x . [all data]

Steinhaus and Schieberle, 2005
Steinhaus, M.; Schieberle, P., Characterization of odorants causing an atypical aroma in white pepper powder (Piper nigrum L.) based on quantitative measurements and orthonasal breakthrough thresholds, J. Agric. Food Chem., 2005, 53, 15, 6049-6055, https://doi.org/10.1021/jf0506030 . [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]

Garruti, Franco, et al., 2003
Garruti, D.S.; Franco, M.R.B.; da Silva, M.A.A.P.; Janzantti, N.S.; Alves, G.L., Evaluation of volatile flavour compounds from cashew apple (Anacardium occidentale L) juice by the Osme gas chromatography/olfactometry technique, J. Sci. Food Agric., 2003, 83, 14, 1455-1462, https://doi.org/10.1002/jsfa.1560 . [all data]

Buettner and Schieberle, 2001
Buettner, A.; Schieberle, P., Application of a comparative aroma extract dilution analysis to monitor changes in orange juice aroma compounds during processing, Am. Chem. Soc. Symp. Ser., 2001, 782, 33-45. [all data]

Mayorga, Knapp, et al., 2001
Mayorga, H.; Knapp, H.; Winterhalter, P.; Duque, C., Glycosidically bound flavor compounds of cape gooseberry (Physalis peruviana L.), J. Agric. Food Chem., 2001, 49, 4, 1904-1908, https://doi.org/10.1021/jf0011743 . [all data]

Teai, Claude-Lafontaine, et al., 2001
Teai, T.; Claude-Lafontaine, A.; Schippa, C.; Cozzolino, F., Volatile compounds in fresh pulp of pineapple (Ananas comosus [L.] Merr.) from French Polynesia, J. Essent. Oil Res., 2001, 13, 5, 314-318, https://doi.org/10.1080/10412905.2001.9712222 . [all data]

Muresan, Eillebrecht, et al., 2000
Muresan, S.; Eillebrecht, M.A.J.L.; de Rijk, T.C.; de Jonge, H.G.; Leguijt, T.; Nijhuis, H.H., Aroma profile development of intermediate chocolate products. I. Volatile constituents of block-milk, Food Chem., 2000, 68, 2, 167-174, https://doi.org/10.1016/S0308-8146(99)00171-5 . [all data]

Reiners and Grosch, 1998
Reiners, J.; Grosch, W., Odorants of virgin olive oils with different flavor profiles, J. Agric. Food Chem., 1998, 46, 7, 2754-2763, https://doi.org/10.1021/jf970940b . [all data]

Zehentbauer and Grosch, 1998
Zehentbauer, G.; Grosch, W., Crust aroma of baguettes. I. Key odorants of baguettes prepared in two different ways, J. Cereal Science, 1998, 28, 1, 81-92, https://doi.org/10.1006/jcrs.1998.0184 . [all data]

Guth, 1997
Guth, H., Identification of character impact odorants of different white wine varieties, J. Agric. Food Chem., 1997, 45, 8, 3022-3026, https://doi.org/10.1021/jf9608433 . [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]

Guth and Grosch, 1994
Guth, H.; Grosch, W., Identification of the character impact odorants of stewed beef juice by instrumental analyses and sensory studies, J. Agric. Food Chem., 1994, 42, 12, 2862-2866, https://doi.org/10.1021/jf00048a039 . [all data]

Schieberle and Grosch, 1994
Schieberle, P.; Grosch, W., Potent odorants of rye bread crust - differences from the crumb and from wheat bread crust, Z. Lebensm. Unters. Forsch., 1994, 198, 4, 292-296, https://doi.org/10.1007/BF01193177 . [all data]

Guth and Grosch, 1993
Guth, H.; Grosch, W., 12-Methyltridecanal, a species-specific odorant of stewed beef, Lebensm. Wiss. Technol., 1993, 26, 2, 171-177, https://doi.org/10.1006/fstl.1993.1035 . [all data]


Notes

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