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Butanoic acid, 2-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-WaxFFAPDB-WaxFFAPStabilwax
Column length (m) 30.25.30.30.30.
Carrier gas H2HeH2HeHe
Substrate      
Column diameter (mm) 0.320.320.320.320.32
Phase thickness (mum) 0.50.20.50.251.
Program 40C(5min) => 4C/min => 100C6C/min => 136C => 3C/min => 220C (10min)40C(1min) => 40C/min => 60C(1min) => 6C/min => 180C => 15C/min => 240C40C(5min) => 4C/min => 100C => 6C/min => 200C35C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 20C/min => 230C(10min)40C(2min) => 5C/min => 100C => 4C/min => 230C (10min)
I 1682.1660.1683.1671.1700.
ReferenceEscudero, Campo, et al., 2007Frauendorfer and Schieberle, 2006Campo, Ferreira, et al., 2005Fritsch and Schieberle, 2005Wang, Finn, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase StabilwaxDB-WaxStabilwaxDB-WaxCarbowax 20M
Column length (m) 30.60.30.30.25.
Carrier gas HeHeHeH2H2
Substrate      
Column diameter (mm) 0.320.250.320.320.32
Phase thickness (mum) 1.0.251.0.50.25
Program 40C(2min) => 5C/min => 100C => 4C/min => 230C (10min)35C(0.7min) => 20C/min => 70C => 4C/min => 240C40C (2min) => 5C/min => 100C => 4C/min => 230C (10min)60C(3min) => 2C/min => 220C => 3C/min => 245C (20min)40C (8min) => 3C/min => 180C => 20C/min => 230C
I 1706.1662.1703.1686.1705.
ReferenceWang, Finn, et al., 2005Ferrari, Lablanquie, et al., 2004Klesk, Qian, et al., 2004Selli, Cabaroglu, et al., 2004Boido, Lloret, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase StabilwaxFFAPFFAPFFAPFFAP
Column length (m) 30.30.30.30.30.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.320.250.320.320.32
Phase thickness (mum) 1.0.250.250.250.25
Program 40C(2min) => 5C/min => 100C => 4C/min => 230C(10min)40C(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)40C(2min) => 40C/min => 60C(2min) => 6C/min => 240C(10min)
I 1693.1660.1659.1659.1659.
ReferenceKlesk and Qian, 2003Jezussek, Juliano, et al., 2002Kirchhoff and Schieberle, 2002Kirchhoff and Schieberle, 2002Kirchhoff and Schieberle, 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-FFAPFFAPFFAPFFAPFFAP
Column length (m) 30.30.30.30.30.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.320.320.250.320.32
Phase thickness (mum) 0.250.250.250.250.25
Program 35C(2min) => 40C/min => 60C (2min) => 5C/min => 240C35C (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)35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 230C (10min)35C (2min) => 40C/min => 60C => 4C/min => 230C (10min)
I 1662.1653.1676.1660.1655.
ReferenceRychlik and Bosset, 2001Tairu, Hofmann, et al., 2000Zimmermann and Schieberle, 2000Buettner and Schieberle, 1999Derail, Hofmann, et al., 1999
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase FFAPFFAPFFAPFFAPFFAP
Column length (m) 30.30.25.30.30.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.320.320.320.320.32
Phase thickness (mum) 0.250.250.50.250.25
Program 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)35C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 10C/min => 230C(10 min)40C (2min) => 40C/min => 60C (2min) => 240C (10min)
I 1638.1645.1666.1660.1651.
ReferenceDerail, Hofmann, et al., 1999Jagella and Grosch, 1999Fickert and Schieberle, 1998Hinterholzer, Lemos, et al., 1998Münch, Hofmann, et al., 1997
Comment MSDC-RI 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]

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]

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]

Klesk, Qian, et al., 2004
Klesk, K.; Qian, M.; Martin, R.R., Aroma extract dilution analysis of cv. meeker (Rubus idaeus L.) red raspberries from Oregon and Washington, J. Agric. Food Chem., 2004, 52, 16, 5155-5161, https://doi.org/10.1021/jf0498721 . [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]

Klesk and Qian, 2003
Klesk, K.; Qian, M., Aroma extract dilution analysis of Cv. Marion (Rubus spp. hyb) and Cv. Evergreen (R. Iaciniatus L.) blackberries, J. Agric. Food Chem., 2003, 51, 11, 3436-3441, https://doi.org/10.1021/jf0262209 . [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]

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]

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]

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]

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]


Notes

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