Butanoic acid, 3-methyl-

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Van Den Dool and Kratz 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-WaxFFAPFFAPDB-WaxFFAP
Column length (m) 30.25.30.30.30.
Carrier gas H2He H2He
Substrate      
Column diameter (mm) 0.320.320.320.320.32
Phase thickness (μm) 0.50.20.250.50.25
Program 40C(5min) => 4C/min => 100C6C/min => 136C => 3C/min => 220C (10min)40C(1min) => 40C/min => 60C(1min) => 6C/min => 180C => 15C/min => 240C40C(2min) => 6C/min => 150C => 20C/min => 230C40C(5min) => 4C/min => 100C => 6C/min => 200C35C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 20C/min => 230C(10min)
I 1682.1660.1663.1683.1671.
ReferenceEscudero, Campo, et al., 2007Frauendorfer and Schieberle, 2006Schuh and Schieberle, 2006Campo, Ferreira, et al., 2005Fritsch and Schieberle, 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase FFAPFFAPFFAPDB-FFAPStabilwax
Column length (m) 60.60.60.30.30.
Carrier gas HeHeHe He
Substrate      
Column diameter (mm) 0.250.250.250.320.32
Phase thickness (μm) 0.50.50.50.251.
Program 50C(3min) => 3C/min => 100C => 10C/min => 220C(13.5min)50C(3min) => 3C/min => 100C => 10C/min => 220C (13.5min)50C(3min) => 3C/min => 100C => 10C/min => 220C (13.5min)40C(2min) => 6C/min => 150C => 20C/min => 230C40C(2min) => 5C/min => 100C => 4C/min => 230C (10min)
I 1698.1698.1698.1663.1700.
ReferenceRanau, Kleeberg, et al., 2005Ranau and Steinhart, 2005Ranau and Steinhart, 2005Schuh and Schieberle, 2005Wang, Finn, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase StabilwaxDB-WaxDB-WaxCarbowax 20MDB-FFAP
Column length (m) 30.60.30.25.30.
Carrier gas HeHeH2H2 
Substrate      
Column diameter (mm) 0.320.250.320.320.32
Phase thickness (μm) 1.0.250.50.250.25
Program 40C(2min) => 5C/min => 100C => 4C/min => 230C (10min)35C(0.7min) => 20C/min => 70C => 4C/min => 240C60C(3min) => 2C/min => 220C => 3C/min => 245C (20min)40C (8min) => 3C/min => 180C => 20C/min => 230C35C(2min) => 6C/min => 180C => 10C/min => 240C (10min)
I 1706.1660.1686.1705.1669.
ReferenceWang, Finn, et al., 2005Ferrari, Lablanquie, et al., 2004Selli, Cabaroglu, et al., 2004Boido, Lloret, et al., 2003Huynh-Ba, Matthey-Doret, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxFFAPFFAPFFAPFFAP
Column length (m) 30.30.30.30.30.
Carrier gas HeHeHeHe 
Substrate      
Column diameter (mm) 0.320.250.320.320.32
Phase thickness (μm) 0.50.250.250.250.25
Program 50C => 6C/min => 70C => 4C/min => 150C => 10C/min => 250C40C(1min) => 40C/min => 50C(2min) => 6C/min => 240C35C (2min) => 60C/min => 50C (2min) => 6C/min => 240C (10min)35C (2min) => 60C/min => 50C (2min) => 6C/min => 240C (10min)50C (2min) => 6C/min => 180C => 10C/min => 240C(10min)
I 1666.1660.1659.1659.1665.
ReferencePennarun, Prost, et al., 2003Jezussek, Juliano, et al., 2002Kirchhoff and Schieberle, 2002Kirchhoff and Schieberle, 2002Rhlid, Fleury, et al., 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase FFAPDB-WaxFFAPDB-FFAPDB-FFAP
Column length (m) 30.30.30.30.30.
Carrier gas   He He
Substrate      
Column diameter (mm) 0.320.250.320.320.32
Phase thickness (μm) 0.250.250.250.250.25
Program 50C (2min) => 6C/min => 180C => 10C/min => 240C(10min)20C(30s) => fast => 60C => 4C/min => 220C (20min)40C(2min) => 40C/min => 60C(2min) => 6C/min => 240C(10min)40C(2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 240C(5min)35C(2min) => 40C/min => 60C (2min) => 5C/min => 240C
I 1664.1652.1659.1658.1662.
ReferenceRhlid, Fleury, et al., 2002Cantergiani, Brevard, et al., 2001Kirchhoff and Schieberle, 2001Munk, Johansen, et al., 2001Rychlik and Bosset, 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-FFAPDB-FFAPFFAPFFAP
Column length (m) 60.30.30.30.30.
Carrier gas He  HeHe
Substrate      
Column diameter (mm) 0.250.320.320.320.25
Phase thickness (μm)  0.250.250.250.25
Program 45C(4min) => 30C/min => 60C (5min) => 3C/min => 220C (40min)40C(2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 240C (5min)40C(2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 240C (5min)35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C (5min) => 10C/min => 230C (5min)35C(2min) => 40C/min => 60C => 6C/min => 180C 20C/min => 240C(10min)
I 1670.1636.1646.1653.1676.
ReferenceZiegleder, 2001Munk, Munch, et al., 2000Munk, Munch, et al., 2000Tairu, Hofmann, et al., 2000Zimmermann and Schieberle, 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase FFAPFFAPFFAPFFAPFFAP
Column length (m) 30.30.30.30.25.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.320.320.320.320.32
Phase thickness (μm) 0.250.250.250.250.5
Program 35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 230C (10min)35C (2min) => 40C/min => 60C => 4C/min => 230C (10min)35C (2min) => 40C/min => 60C => 4C/min => 230C (10min)40C(1min) => 40C/min => 60C => 6C/min => 230C35C (2min) => 40C/min => 60C => 6C/min => 230C (10min)
I 1660.1655.1655.1645.1666.
ReferenceBuettner and Schieberle, 1999Derail, Hofmann, et al., 1999Derail, Hofmann, et al., 1999Jagella and Grosch, 1999Fickert and Schieberle, 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillary
Active phase FFAPFFAPFFAPFFAP
Column length (m) 30.30.30.50.
Carrier gas He HeHe
Substrate     
Column diameter (mm) 0.320.320.320.25
Phase thickness (μm) 0.250.250.250.25
Program 35C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 10C/min => 230C(10 min)35C (2min) => 40C/min => 60C (2min) => 6C/min => 230C (10min)40C (2min) => 40C/min => 60C (2min) => 240C (10min)20C (5min) => 2C/min => 70C => 4C/min => 210C
I 1660.1671.1651.1681.
ReferenceHinterholzer, Lemos, et al., 1998Kubícková and Grosch, 1997Münch, Hofmann, et al., 1997Yasuhara, 1987
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI

References

Go To: Top, Van Den Dool and Kratz 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.

Escudero, Campo, et al., 2007
Escudero, A.; Campo, E.; Fariña, L.; Cacho, J.; Ferreira, V., Analytical Characterization of the Aroma of Five Premium Red Wines. Insights into the Role of Odor Families and the Concept of Fruitiness of Wines, J. Agric. Food Chem., 2007, 55, 11, 4501-4510, https://doi.org/10.1021/jf0636418 . [all data]

Frauendorfer and Schieberle, 2006
Frauendorfer, F.; Schieberle, P., Identification of the key aroma compounds in Cocoa powder based on molecular sensoly correlations, J. Agr. Food Chem., 2006, 54, 15, 5521-5529, https://doi.org/10.1021/jf060728k . [all data]

Schuh and Schieberle, 2006
Schuh, C.; Schieberle, P., Characterization of the Key Aroma Compounds in the Beverage Prepared from Darjeeling Black Tea: Quantitative Differences between Tea Leaves and Infusion, J. Agric. Food Chem., 2006, 54, 3, 916-924, https://doi.org/10.1021/jf052495n . [all data]

Campo, Ferreira, et al., 2005
Campo, E.; Ferreira, V.; Escudero, A.; Cacho, J., Prediction of the wine sensory properties related to grape variety from dynamic-headspace gas chromatography-olfactometry data, J. Agric. Food Chem., 2005, 53, 14, 5682-5690, https://doi.org/10.1021/jf047870a . [all data]

Fritsch and Schieberle, 2005
Fritsch, H.T.; Schieberle, P., Identification based on quantitative measurements and aroma recombination of the character impact odorants in a Bavarian Pilsner-type beer, J. Agric. Food Chem., 2005, 53, 19, 7544-7551, https://doi.org/10.1021/jf051167k . [all data]

Ranau, Kleeberg, et al., 2005
Ranau, R.; Kleeberg, K.K.; Schlegelmilch, M.; Streese, J.; Stegmann, R.; Steinhart, H., Analytical determination of the suitability of different processes for the treatment of odorous waste gas, Waste Management, 2005, 25, 9, 908-916, https://doi.org/10.1016/j.wasman.2005.07.004 . [all data]

Ranau and Steinhart, 2005
Ranau, R.; Steinhart, H., Identification and evaluation of volatile odor-active pollutants from different odor emission sources in the food industry, Eur. Food Res. Technol., 2005, 220, 2, 226-231, https://doi.org/10.1007/s00217-004-1073-4 . [all data]

Schuh and Schieberle, 2005
Schuh, C.; Schieberle, P., Characterization of ( E, E, Z)-2,4,6-Nonatrienal as a character impact aroma compound of oat flakes, J. Agric. Food Chem., 2005, 53, 22, 8699-8705, https://doi.org/10.1021/jf051601i . [all data]

Wang, Finn, et al., 2005
Wang, Y.; Finn, C.; Qian, M.C., Impact of Growing Environment on Chickasaw Blackberry ( Rubus L.) Aroma Evaluated by Gas Chromatography Olfactometry Dilution Analysis, J. Agric. Food Chem., 2005, 53, 9, 3563-3571, https://doi.org/10.1021/jf048102m . [all data]

Ferrari, Lablanquie, et al., 2004
Ferrari, G.; Lablanquie, O.; Cantagrel, R.; Ledauphin, J.; Payot, T.; Fournier, N.; Guichard, E., Determination of key odorant compounds in freshly distilled cognac using GC-O, GC-MS, and sensory evaluation, J. Agric. Food Chem., 2004, 52, 18, 5670-5676, https://doi.org/10.1021/jf049512d . [all data]

Selli, Cabaroglu, et al., 2004
Selli, S.; Cabaroglu, T.; Canbas, A.; Erten, H.; Nurgel, C.; Lepoutre, J.P.; Gunata, Z., Volatile composition of red wine from cv. Kalecik Karasi grown in central Anatolia, Food Chem., 2004, 85, 2, 207-213, https://doi.org/10.1016/j.foodchem.2003.06.008 . [all data]

Boido, Lloret, et al., 2003
Boido, E.; Lloret, A.; Medina, K.; Fariña, L.; Carrau, f.; Versini, G.; Dellacassa, E., Aroma composition of Vitis vinifera Cv. Tannat: the typical red wine from Uruguay, J. Agric. Food Chem., 2003, 51, 18, 5408-5413, https://doi.org/10.1021/jf030087i . [all data]

Huynh-Ba, Matthey-Doret, et al., 2003
Huynh-Ba, T.; Matthey-Doret, W.; Fay, L.B.; Rhlid, R.B., Generation of thiols by biotransformation of cysteine-aldehyde conjugates with Baker's yeast, J. Agric. Food Chem., 2003, 51, 12, 3629-3635, https://doi.org/10.1021/jf026198j . [all data]

Pennarun, Prost, et al., 2003
Pennarun, A.-L.; Prost, C.; Haure, J.; Demaimay, M., Comparison of two microalgal diets. 2. Influence on odorant composition and organoleptic qualities of raw oysters (Crassostrea gigas), J. Agric. Food Chem., 2003, 51, 7, 2011-2018, https://doi.org/10.1021/jf020549c . [all data]

Jezussek, Juliano, et al., 2002
Jezussek, M.; Juliano, B.O.; Schieberle, P., Comparison of key aroma compounds in cooked brown rice varieties based on aroma extract dilution analysis, J. Agric. Food Chem., 2002, 50, 5, 1101-1105, https://doi.org/10.1021/jf0108720 . [all data]

Kirchhoff and Schieberle, 2002
Kirchhoff, E.; Schieberle, P., Quantitation of odor-active compounds in rye flour and rye sourdough using stable isotope dilution assays, J. Agric. Food Chem., 2002, 50, 19, 5378-5385, https://doi.org/10.1021/jf020236h . [all data]

Rhlid, Fleury, et al., 2002
Rhlid, R.B.; Fleury, Y.; Blank, I.; Fay, L.B.; Welti, D.H.; Vera, F.A.; Juillerat, M.A., Generation of roasted notes based on 2-acetyl-2-thiazoline and its precursor, 2-(1-hydroxyethyl)-4,5-dihydrothiazole, by combined bio and thermal approaches, J. Agric. Food Chem., 2002, 50, 8, 2350-2355, https://doi.org/10.1021/jf011170d . [all data]

Cantergiani, Brevard, et al., 2001
Cantergiani, E.; Brevard, H.; Krebs, Y.; Feria-Morales, A.; Amadò, R.; Yeretzian, C., Characterisation of the aroma of green Mexican coffee and identification of mouldy/earthy defect, Eur. Food Res. Technol., 2001, 212, 6, 648-657, https://doi.org/10.1007/s002170100305 . [all data]

Kirchhoff and Schieberle, 2001
Kirchhoff, E.; Schieberle, P., Determination of key aroma compounds in the crumb of a three-stage sourdough rye bread by stable isotope dilution assays and sensory studies, J. Agric. Food Chem., 2001, 49, 9, 4304-4311, https://doi.org/10.1021/jf010376b . [all data]

Munk, Johansen, et al., 2001
Munk, S.; Johansen, C.; Stahnke, L.H.; Adler-Nissen, J., Microbial survival and odor in laundry, Journal of Surfactants and Detergents, 2001, 4, 4, 385-394, https://doi.org/10.1007/s11743-001-0192-2 . [all data]

Rychlik and Bosset, 2001
Rychlik, M.; Bosset, J.O., Flavour and off-flavour compoundsof SwissGruy ere cheese. Evaluation of potent odorants, Int. Dairy J., 2001, 11, 11-12, 895-901, https://doi.org/10.1016/S0958-6946(01)00108-X . [all data]

Ziegleder, 2001
Ziegleder, G., Odorous compounds in paperboard as influenced by recycled material and storage, Packag. Technol. Sci., 2001, 14, 4, 131-136, https://doi.org/10.1002/pts.541 . [all data]

Munk, Munch, et al., 2000
Munk, S.; Munch, P.; Stahnke, L.; Adler-Nissen., J.; Schieberle, P., Primary odorants of laundry soiled with sweat/sebum: influence of lipase on the odor profile, Journal of Surfactants and Detergents, 2000, 3, 4, 505-515, https://doi.org/10.1007/s11743-000-0150-z . [all data]

Tairu, Hofmann, et al., 2000
Tairu, A.O.; Hofmann, T.; Schieberle, P., Studies on the key odorants formed by roasting of wild mango seeds (Irvingia gabonensis), J. Agric. Food Chem., 2000, 48, 6, 2391-2394, https://doi.org/10.1021/jf990765u . [all data]

Zimmermann and Schieberle, 2000
Zimmermann, M.; Schieberle, P., Important odorants of sweet bell pepper powder (Capsicum annuum cv. annuum): differences between samples of Hungarian and Morrocan origin, Eur. Food Res. Technol., 2000, 211, 3, 175-180, https://doi.org/10.1007/s002170050019 . [all data]

Buettner and Schieberle, 1999
Buettner, A.; Schieberle, P., Characterization of the most odor-active volatiles in fresh, hand squeezed juice of grapefruit (Citrus paradise Macfayden), J. Agric. Food Chem., 1999, 47, 12, 5189-5193, https://doi.org/10.1021/jf990071l . [all data]

Derail, Hofmann, et al., 1999
Derail, C.; Hofmann, T.; Schieberle, P., Differences in key odorants of handmade juice of yellow-flesh peaches (Prunus persica L.) induced by the workup procedure, J. Agric. Food Chem., 1999, 47, 11, 4742-4745, https://doi.org/10.1021/jf990459g . [all data]

Jagella and Grosch, 1999
Jagella, T.; Grosch, W., Flavour and off-flavour compounds of black and white pepper ( Piper nigrum L.) I. Evaluation of potent odorants of black pepper by dilution and concentration techniques, Eur. Food Res. Technol., 1999, 209, 1, 16-21, https://doi.org/10.1007/s002170050449 . [all data]

Fickert and Schieberle, 1998
Fickert, B.; Schieberle, P., Identification of the key odorants in barley malt (caramalt) using GC/MS techniques and odour dilution analyses, Nahrung, 1998, 42, 6, 371-375, https://doi.org/10.1002/(SICI)1521-3803(199812)42:06<371::AID-FOOD371>3.0.CO;2-V . [all data]

Hinterholzer, Lemos, et al., 1998
Hinterholzer, A.; Lemos, T.; Schieberle, P., Identification of the key odorants in raw French beans and changes during cooking, Z. Lebensm. Unters. Forsch. A, 1998, 207, 3, 219-222, https://doi.org/10.1007/s002170050322 . [all data]

Kubícková and Grosch, 1997
Kubícková, J.; Grosch, W., Evaluation of potent odorants of camembert cheese by dilution and concentration techniques, Int. Dairy J., 1997, 7, 1, 65-70, https://doi.org/10.1016/S0958-6946(96)00044-1 . [all data]

Münch, Hofmann, et al., 1997
Münch, P.; Hofmann, T.; Schieberle, P., Comparison of key odorants generated by thermal treatment of commercial and self-prepared yeast extracts: influence of the amino acid composition on odorant formation, J. Agric. Food Chem., 1997, 45, 4, 1338-1344, https://doi.org/10.1021/jf960658p . [all data]

Yasuhara, 1987
Yasuhara, A., Identification of Volatile Compounds in Poultry Manure by Gas Chromatography-Mass Spectrometry, J. Chromatogr., 1987, 387, 371-378, https://doi.org/10.1016/S0021-9673(01)94539-X . [all data]


Notes

Go To: Top, Van Den Dool and Kratz RI, polar column, custom temperature program, References