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Butanoic acid, 2-methyl-

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Normal alkane 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 VF-Wax MSTC-WaxFFAPDB-FFAPCP-Wax 52CB
Column length (m) 60.60.30.30.30.
Carrier gas HeliumHeliumHelium He
Substrate      
Column diameter (mm) 0.250.250.320.32 
Phase thickness (mum) 0.25 0.250.250.32
Tstart (C) 60.40.40.0.50.
Tend (C) 220.230.240.200.220.
Heat rate (K/min) 3.3.6.6.6.
Initial hold (min) 5.3.2.2.2.
Final hold (min) 25.   20.
I 1667.1691.1662.1656.1668.
ReferenceDuarte, Dias, et al., 2010Miyazawa, Fujita, et al., 2010Christlbauer and Schieberle, 2009Laselan, Buettner, et al., 2009Audino, Alzogaray, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-FFAPDB-WaxDB-WaxHP-Innowax
Column length (m) 30.30.30.60.15.
Carrier gas HeHeHeNitrogen 
Substrate      
Column diameter (mm) 0.250.320.320.320.25
Phase thickness (mum) 0.250.250.250.501.
Tstart (C) 40.40.40.35.45.
Tend (C) 230.230.230.235.210.
Heat rate (K/min) 4.6.4.2.10.
Initial hold (min) 2.1.2.4.5.
Final hold (min) 5. 15.30.5.
I 1659.1660.1659.1688.1658.
ReferenceXu, Fan, et al., 2007Zeller and Rychlik, 2007Fan and Qian, 2006Qian and Wang, 2005Wijaya, Ulrich, 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) 60.30.30.30.30.
Carrier gas H2HeH2HeHe
Substrate      
Column diameter (mm) 0.320.250.320.320.32
Phase thickness (mum) 0.250.250.50.250.25
Tstart (C) 40.40.40.40.40.
Tend (C) 230.185.200.230.230.
Heat rate (K/min) 4.4.4.6.6.
Initial hold (min) 5.4.5.2.2.
Final hold (min) 25.20. 10.10.
I 1670.1660.1688.1652.1652.
ReferenceDregus and Engel, 2003Lee and Noble, 2003López, Ortín, et al., 2003Czerny and Schieberle, 2002Czerny and Schieberle, 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-FFAPTC-WaxDB-WaxDB-Wax
Column length (m) 60.30.60.60.30.
Carrier gas  HeHeHeHe
Substrate      
Column diameter (mm) 0.250.320.250.250.53
Phase thickness (mum)  0.250.250.251.
Tstart (C) 60.40.40.40.40.
Tend (C) 180.230.230.200.225.
Heat rate (K/min) 3.6.3.2.6.
Initial hold (min) 4.2.10.2.5.
Final hold (min)  5.10. 30.
I 1674.1654.1644.1664.1662.
ReferenceIto, Sugimoto, et al., 2002Sanz, Czerny, et al., 2002Suhardi, Suzuki, et al., 2002Umano, Hagi, et al., 2002Cadwallader and Heo, 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase FFAPDB-WaxFFAPDB-WaxDB-Wax
Column length (m) 30.30.30.30.30.
Carrier gas H2HeHeH2H2
Substrate      
Column diameter (mm) 0.320.250.320.320.32
Phase thickness (mum) 0.250.250.250.50.5
Tstart (C) 40.50.40.60.60.
Tend (C) 240.220.230.245.245.
Heat rate (K/min) 3.4.6.3.3.
Initial hold (min) 5.3.2.3.3.
Final hold (min)   5.20.20.
I 1671.1620.1657.1661.1661.
ReferenceDucruet, Fournier, et al., 2001Weckerle, Bastl-Borrmann, et al., 2001Czerny and Grosch, 2000Kotseridis and Baumes, 2000Kotseridis and Baumes, 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxDB-WaxDB-WaxHP-Innowax
Column length (m) 30.30.60.30.25.
Carrier gas HeHe Helium 
Substrate      
Column diameter (mm) 0.250.250.320.330.32
Phase thickness (mum) 0.250.25 0.25 
Tstart (C) 50.50.30.40.35.
Tend (C) 240.240.170.200.250.
Heat rate (K/min) 4.4.2.6.4.
Initial hold (min) 3.3.4.5. 
Final hold (min) 10.10.60.30. 
I 1639.1641.1670.1666.1665.
ReferenceParada, Duque, et al., 2000Parada, Duque, et al., 2000Buttery, Orts, et al., 1999Suriyaphan, Drake, et al., 1999Ong, Acree, et al., 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxDB-WaxHP-InnowaxDB-Wax
Column length (m) 30.30.60.60.50.
Carrier gas HeHeHeH2 
Substrate      
Column diameter (mm) 0.250.250.250.320.32
Phase thickness (mum) 0.250.25 0.51.
Tstart (C) 50.50.60.50.20.
Tend (C) 240.240.180.180.230.
Heat rate (K/min) 4.4.2.1.56.
Initial hold (min) 3.3.  2.
Final hold (min) 10.10.   
I 1662.1666.1670.1711.1678.
ReferenceParada and Duque, 1998Parada and Duque, 1998Sekiwa, Kubota, et al., 1997Ulrich, Hoberg, et al., 1997Milo and Grosch, 1996
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase TC-WaxCarbowax 20MCarbowax 20MCarbowax 20MDB-Wax
Column length (m) 60.50.50.50.30.
Carrier gas  HeN2N2Helium
Substrate      
Column diameter (mm) 0.250.250.220.220.32
Phase thickness (mum)      
Tstart (C) 80.60.80.80.40.
Tend (C) 240.180.200.200.200.
Heat rate (K/min) 3.2.3.3.6.
Initial hold (min) 5.4.  1.
Final hold (min)      
I 1668.1632.1673.1685.1676.
ReferenceShuichi, Masazumi, et al., 1996Kawakami and Kobayashi, 1991Mihara, Tateba, et al., 1988Mihara, Tateba, et al., 1988Andersen J.F., Mikolajczak K.L., et al., 1987
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillary
Active phase Carbowax 20MCarbowax 20M
Column length (m) 50.50.
Carrier gas N2N2
Substrate   
Column diameter (mm) 0.220.22
Phase thickness (mum)   
Tstart (C) 80.80.
Tend (C) 200.200.
Heat rate (K/min) 3.3.
Initial hold (min)   
Final hold (min)   
I 1673.1685.
ReferenceMihara, Tateba, et al., 1987Mihara, Tateba, et al., 1987
Comment MSDC-RI MSDC-RI

References

Go To: Top, Normal alkane 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.

Duarte, Dias, et al., 2010
Duarte, W.F.; Dias, D.R.; Oliveira, J.M.; Teixeira, J.A.; de Almeida e Silva, J.B.; Schwan, R.F., Characterization of different fruit wines made from cacao,cupuassu, gabiroba, jaboticaba and umbu, Food Sci. Technol., 2010, 43, 1564-1572. [all data]

Miyazawa, Fujita, et al., 2010
Miyazawa, N.; Fujita, A.; Kubota, K., Aroma character impact compounds in Kinokuni Mandarin Orange (Citrus kinikuni) compared with Satsuma Mandarin Orange, Biosci. Biotechnol. Biochem., 2010, 74, 4, 835-842, https://doi.org/10.1271/bbb.90937 . [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]

Laselan, Buettner, et al., 2009
Laselan, P.; Buettner, A.; Christlbauer, M., Investigation of the retronasal perseption of palm wine (Elaeis guineensis) aroma by application of sensory analysis and exhaled odorant measurement (EXOM), African J. of Food, Agriculture, Nutrition and development, 2009, 9, 2, 793-813. [all data]

Audino, Alzogaray, et al., 2007
Audino, P.G.; Alzogaray, R.A.; Vassena, C.; Masuh, H.; Fontán, A.; Gatti, P.; Martínez, A.; Camps, F.; Cork, A.; Zerba, E., Volatile compounds secreted by Brindley's glands of adult Triatoma infestans: identification and biological activity of previously unidentified compounds, Journal of Vector Ecology, 2007, 32, 1, 75-82, https://doi.org/10.3376/1081-1710(2007)32[75:VCSBBO]2.0.CO;2 . [all data]

Xu, Fan, et al., 2007
Xu, Y.; Fan, W.; Qian, M.C., Characterization of Aroma Compounds in Apple Cider Using Solvent-Assisted Flavor Evaporation and Headspace Solid-Phase Microextraction, J. Agric. Food Chem., 2007, 55, 8, 3051-3057, https://doi.org/10.1021/jf0631732 . [all data]

Zeller and Rychlik, 2007
Zeller, A.; Rychlik, M., Impact of estragole and other odorants on the flavour of anise and tarragon, Flavour Fragr. J., 2007, 22, 2, 105-113, https://doi.org/10.1002/ffj.1765 . [all data]

Fan and Qian, 2006
Fan, W.; Qian, M.C., Characterization of Aroma Compounds of Chinese Wuliangye and Jiannanchun Liquors by Aroma Extract Dilution Analysis, J. Agric. Food Chem., 2006, 54, 7, 2695-2704, https://doi.org/10.1021/jf052635t . [all data]

Qian and Wang, 2005
Qian, M.C.; Wang, Y., Seasonal Variations of Volatile Composition and Odor Activity Value of Marion (Rubus spp. hyb) and Thornless Evergreen (R.laciniatus L.) Blackberries, J. Food. Sci., 2005, 70, 1, c13-c20, https://doi.org/10.1111/j.1365-2621.2005.tb09013.x . [all data]

Wijaya, Ulrich, et al., 2005
Wijaya, C.H.; Ulrich, D.; Lestari, R.; Schippel, K.; Ebert, G., Identification of potent odorants in different cultivars of snake fruit [Salacca zalacca (Gaert.) Voss] using gas chromatography-olfactometry, J. Agric. Food Chem., 2005, 53, 5, 1637-1641, https://doi.org/10.1021/jf048950h . [all data]

Dregus and Engel, 2003
Dregus, M.; Engel, K.-H., Volatile constituents of uncooked Rhubarb (Rheum rhabarbarum L.) stalks, J. Agric. Food Chem., 2003, 51, 22, 6530-6536, https://doi.org/10.1021/jf030399l . [all data]

Lee and Noble, 2003
Lee, S.-J.; Noble, A.C., Characterization of odor-active compounds in Californian Chardonnay wines using GC-olfactometry and GC-mass spectrometry, J. Agric. Food Chem., 2003, 51, 27, 8036-8044, https://doi.org/10.1021/jf034747v . [all data]

López, Ortín, et al., 2003
López, R.; Ortín, N.; Pérez-Trujillo, J.P.; Cacho, J.; Ferreira, V., Impact odorants of different young white wines from the Canary islands, J. Agric. Food Chem., 2003, 51, 11, 3419-3425, https://doi.org/10.1021/jf026045w . [all data]

Czerny and Schieberle, 2002
Czerny, M.; Schieberle, P., Important aroma compounds in freshly ground wholemeal and white wheat flour-identification and quantitative changes during sourdough fermentation, J. Agric. Food Chem., 2002, 50, 23, 6835-6840, https://doi.org/10.1021/jf020638p . [all data]

Ito, Sugimoto, et al., 2002
Ito, Y.; Sugimoto, A.; Kakuda, T.; Kubota, K., Identification of potent odorants in Chinese jasmine green tea scented with flowers of Jasminum sambac, J. Agric. Food Chem., 2002, 50, 17, 4878-4884, https://doi.org/10.1021/jf020282h . [all data]

Sanz, Czerny, et al., 2002
Sanz, C.; Czerny, M.; Cid, C.; Schieberle, P., Comparison of potent odorants in a filtered coffee brew and in an instant coffee beverage by aroma extract dilution analysis (AEDA), Eur. Food Res. Technol., 2002, 214, 4, 299-302, https://doi.org/10.1007/s00217-001-0459-9 . [all data]

Suhardi, Suzuki, et al., 2002
Suhardi, S.; Suzuki, M.; Yoshida, K.; Muto, T.; Fujita, A.; Watanbe, N., Changes in the volatile compounds and in the chemical and physical properties of snake fruit (Salacca edulis Reinw) Cv. Pondoh during maturation, J. Agric. Food Chem., 2002, 50, 26, 7627-7633, https://doi.org/10.1021/jf020620e . [all data]

Umano, Hagi, et al., 2002
Umano, K.; Hagi, Y.; Shibamoto, T., Volatile chemicals identified in extracts from newly hybrid citrus, dekopon (Shiranuhi mandarin Suppl. J.), J. Agric. Food Chem., 2002, 50, 19, 5355-5359, https://doi.org/10.1021/jf0203951 . [all data]

Cadwallader and Heo, 2001
Cadwallader, K.R.; Heo, J., Aroma of roasted sesame oil: characterization by direct thermal desorption-gas chromatography-olfactometry and sample dilution analysis, Am. Chem. Soc. Symp. Ser., 2001, 782, 187-202. [all data]

Ducruet, Fournier, et al., 2001
Ducruet, V.; Fournier, N.; Saillard, P.; Feigenbaum, A.; Guichard, E., Influence of packaging on the aroma stability of strawberry syrup during shelf life, J. Agric. Food Chem., 2001, 49, 5, 2290-2297, https://doi.org/10.1021/jf0012796 . [all data]

Weckerle, Bastl-Borrmann, et al., 2001
Weckerle, B.; Bastl-Borrmann, R.; Richling, E.; Hör, K.; Ruff, C.; Schreier, P., Cactus pear (Opuntia ficus indica) flavour constituents - chiral evaluation (MDGC-MS) and isotope ratio (HRGC-IRMS) analysis, Flavour Fragr. J., 2001, 16, 5, 360-363, https://doi.org/10.1002/ffj.1012 . [all data]

Czerny and Grosch, 2000
Czerny, M.; Grosch, W., Potent odorants of raw Arabica coffee. Their changes during roasting, J. Agric. Food Chem., 2000, 48, 3, 868-872, https://doi.org/10.1021/jf990609n . [all data]

Kotseridis and Baumes, 2000
Kotseridis, Y.; Baumes, R., Identification of impact odorants in Bordeaux red grape juice, in the commercial yeast used for its fermentation, and in the produced wine, J. Agric. Food Chem., 2000, 48, 2, 400-406, https://doi.org/10.1021/jf990565i . [all data]

Parada, Duque, et al., 2000
Parada, F.; Duque, C.; Fujimoto, Y., Free and bound volatile composition and characterization of some glucoconjugates as aroma precursors in Melón de olor fruit pulp (Sicana odorifera), J. Agric. Food Chem., 2000, 48, 12, 6200-6204, https://doi.org/10.1021/jf0007232 . [all data]

Buttery, Orts, et al., 1999
Buttery, R.G.; Orts, W.J.; Takeoka, G.R.; Nam, Y., Volatile flavor components of rice cakes, J. Agric. Food Chem., 1999, 47, 10, 4353-4356, https://doi.org/10.1021/jf990140w . [all data]

Suriyaphan, Drake, et al., 1999
Suriyaphan, O.; Drake, M.A.; Cadwallader, K.R., Identification of volatile off-flavors in reduced-fat cheddar cheeses containing lecitin, Lebensm.-Wiss. u. Technol., 1999, 32, 5, 250-254, https://doi.org/10.1006/fstl.1999.0543 . [all data]

Ong, Acree, et al., 1998
Ong, P.K.C.; Acree, T.E.; Lavin, E.H., Characterization of volatiles in rambutan fruit (Nephelium lappaceum L.), J. Agric. Food Chem., 1998, 46, 2, 611-615, https://doi.org/10.1021/jf970665t . [all data]

Parada and Duque, 1998
Parada, F.; Duque, C., Studies on the aroma of piñuela fruit pulp (Bromelia plumieri): Free and bound volatile composition and characterization of some glucoconjugates as aroma precursors, J. Hi. Res. Chromatogr., 1998, 21, 10, 577-581, https://doi.org/10.1002/(SICI)1521-4168(19981001)21:10<577::AID-JHRC577>3.0.CO;2-V . [all data]

Sekiwa, Kubota, et al., 1997
Sekiwa, Y.; Kubota, K.; Kobayashi, A., Characteristic flavor components in the brew of cooked clam (Meretrix lusoria) and the effect of storage on flavor formation, J. Agric. Food Chem., 1997, 45, 3, 826-830, https://doi.org/10.1021/jf960433e . [all data]

Ulrich, Hoberg, et al., 1997
Ulrich, D.; Hoberg, E.; Rapp, A.; Kecke, S., Analysis of strawberry flavour - discrimination of aroma types by quantification of volatile compounds, Z. Lebensm. Unters. Forsch. A, 1997, 205, 3, 218-223, https://doi.org/10.1007/s002170050154 . [all data]

Milo and Grosch, 1996
Milo, C.; Grosch, W., Changes in the odorants of boiled salmon and cod as affected by the storage of the raw material, J. Agric. Food Chem., 1996, 44, 8, 2366-2371, https://doi.org/10.1021/jf9507203 . [all data]

Shuichi, Masazumi, et al., 1996
Shuichi, H.; Masazumi, N.; Hiromu, K.; Kiyoshi, F., Comparison of volatile compounds berween the crude drugs, Onji-tsutsu and Onji-niki, Nippon nogei kagaku kaishi, 1996, 70, 2, 151-160. [all data]

Kawakami and Kobayashi, 1991
Kawakami, M.; Kobayashi, A., Volatitle constituents of greem mate and roasted mate, J. Agric. Food Chem., 1991, 39, 7, 1275-1279, https://doi.org/10.1021/jf00007a016 . [all data]

Mihara, Tateba, et al., 1988
Mihara, S.; Tateba, H.; Nishimura, O.; Machii, Y.; Kishino, K., The volatile components of Chinese quince (Pseudocydonia sinensis Schneid) in Flavors and Fragrances: A World Perspective. Proceedings of the 10th International Congress of Essential Oils, Fragrances and Flavors, Lawrence,B.M.; Mookherjee,B.D.; Willis,B.J., ed(s)., Elsevier, New York, 1988, 537-550. [all data]

Andersen J.F., Mikolajczak K.L., et al., 1987
Andersen J.F.; Mikolajczak K.L.; Reed D.K., Analysis of peach bark volatiles and their electroantennogram activity with lesser pechtree borer, Synanthedon pictipes (Grote and Robinson), J. Chem. Ecol., 1987, 13, 11, 2103-2114, https://doi.org/10.1007/BF01012874 . [all data]

Mihara, Tateba, et al., 1987
Mihara, S.; Tateba, H.; Nishimura, O.; Machii, Y.; Kishino, K., Volatile components of Chinese quince (Pseudocydonia sinensis Schneid), J. Agric. Food Chem., 1987, 35, 4, 532-537, https://doi.org/10.1021/jf00076a023 . [all data]


Notes

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