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Butanoic acid, 3-methyl-, ethyl ester

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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 Supelcowax-10Supelcowax-10Supelcowax-10DB-WaxDB-Wax
Column length (m) 30.30.30.30.30.
Carrier gas  HeHeH2H2
Substrate      
Column diameter (mm) 0.250.250.250.320.32
Phase thickness (mum) 0.250.250.250.50.5
Program 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 220C(1min)35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)40C(5min) => 4C/min => 100C6C/min => 136C => 3C/min => 220C (10min)40C(5min) => 4C/min => 100C => 6C/min => 200C
I 1073.1068.1073.1083.1084.
ReferenceBianchi, Cantoni, et al., 2007Bianchi, Careri, et al., 2007Bianchi, Careri, et al., 2007Escudero, Campo, et al., 2007Campo, Ferreira, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP-Wax 52CBDB-WaxStabilwaxFFAPDB-Wax
Column length (m) 50.60.30.30.30.
Carrier gas HeHeHeHe 
Substrate      
Column diameter (mm) 0.250.250.320.320.25
Phase thickness (mum) 0.20.251.0.250.25
Program 33C(1.5min) => 1.5C/min => 60C(4min) => 2C/min => 100C => 8C/min => 220C(15min)35C(0.7min) => 20C/min => 70C => 4C/min => 240C40C(2min) => 5C/min => 100C => 4C/min => 230C(10min)35C (2min) => 60C/min => 50C (2min) => 6C/min => 240C (10min)20C(30s) => fast => 60C => 4C/min => 220C (20min)
I 1058.1051.1065.1062.1059.
ReferenceKaack, Christensen, et al., 2005Ferrari, Lablanquie, et al., 2004Klesk and Qian, 2003Kirchhoff and Schieberle, 2002Cantergiani, Brevard, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillary
Active phase FFAPFFAP
Column length (m) 25.50.
Carrier gas HeHe
Substrate   
Column diameter (mm) 0.320.25
Phase thickness (mum) 0.50.25
Program 35C (2min) => 40C/min => 60C => 6C/min => 230C (10min)20C (5min) => 2C/min => 70C => 4C/min => 210C
I 1060.1057.
ReferenceFickert and Schieberle, 1998Yasuhara, 1987
Comment 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.

Bianchi, Cantoni, et al., 2007
Bianchi, F.; Cantoni, C.; Careri, M.; Chiesa, L.; Musci, M.; Pinna, A., Characterization of the aromatic profile for the authentication and differentiation of typical Italian dry-sausages, Talanta, 2007, 72, 4, 1552-1563, https://doi.org/10.1016/j.talanta.2007.02.019 . [all data]

Bianchi, Careri, et al., 2007
Bianchi, F.; Careri, M.; Mangia, A.; Musci, M., Retention indices in the analysis of food aroma volatile compounds in temperature-programmed gas chromatography: Database creation and evaluation of precision and robustness, J. Sep. Sci., 2007, 39, 4, 563-572, https://doi.org/10.1002/jssc.200600393 . [all data]

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]

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]

Kaack, Christensen, et al., 2005
Kaack, K.; Christensen, L.P.; Hughes, M.; Eder, R., The relationship between sensory quality and volatile compounds in raw juice processed from elderberries ( Sambucus nigra L.), Eur. Food Res. Technol., 2005, 221, 3-4, 244-254, https://doi.org/10.1007/s00217-005-1141-4 . [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 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]

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]

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]

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]

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

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