Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Butanoic acid, 2-methyl-, ethyl ester

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Van Den Dool and Kratz RI, non-polar column, custom temperature program

Go To: Top, References, Notes

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-5DB-5SE-54DB-5DB-5
Column length (m)   30. 30.
Carrier gas     He
Substrate      
Column diameter (mm)   0.32 0.32
Phase thickness (mum)   0.25 1.
Program not specifiednot specified40C(2min) => 6C/min => 150C => 20C/min => 230Cnot specified40C(2min) => 5C/min => 100C => 4C/min => 230C (10min)
I 850.859.848.849.848.
ReferenceEscudero, Campo, et al., 2007Özel, Gögüs, et al., 2006Schuh and Schieberle, 2006Campo, Ferreira, et al., 2005Wang, Finn, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5ZB-5DB-5DB-5HP-5
Column length (m) 30.30.30.30.50.
Carrier gas HeHeliumHeHe 
Substrate      
Column diameter (mm) 0.320.320.320.250.32
Phase thickness (mum) 1.0.501.0.251.05
Program 40C(2min) => 5C/min => 100C => 4C/min => 230C (10min)not specified40C (2min) => 5C/min => 100C => 4C/min => 230C (10min)40C(2min) => 5C/min => 100C => 4C/min => 230C(10min)35C (5min) => 10C/min => 150C => 20C/min => 250C (10min)
I 854.846.832.848.857.
ReferenceWang, Finn, et al., 2005Bell, 2004Klesk, Qian, et al., 2004Klesk and Qian, 2003Carrapiso, Jurado, et al., 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5DB-5DB-5DB-5CP Sil 8 CB
Column length (m) 50.25.30.30.30.
Carrier gas  HeHeHeHe
Substrate      
Column diameter (mm) 0.320.320.250.320.32
Phase thickness (mum) 1.050.250.250.25 
Program 35C(5min) => 10C/min => 150C => 20C/min => 250C(10 min)35C (2min) => 40C/min => 50C (2min) => 4C/min => 240C (10min)50C (1min) => 5C/min => 100C => 10C/min => 250C (9min)35C(2min) => 40C/min => 60C (2min) => 4C/min => 240C35C (2min) => 40C/min => 50C (2min) => 6C/min => 180C => 10C/min => 240C
I 857.845.846.848.848.
ReferenceCarrapiso, Ventanas, et al., 2002Kirchhoff and Schieberle, 2002Beaulieu and Grimm, 2001Rychlik and Bosset, 2001Steinhaus and Schieberle, 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillary
Active phase SE-54SE-54BPX-5
Column length (m) 30.30.50.
Carrier gas HeHeHe
Substrate    
Column diameter (mm) 0.320.320.32
Phase thickness (mum) 0.250.250.50
Program 35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 230C (5min)35 0C 40 0C/min -> 60 0C (2 min) 6 0C/min -> 180 0C 10 0C/min -> 230 0C0 0C (8 min) -> (1 min) -> 50 0C (2 min) 2.5 0C/min -> 100 0C 6 0C/min -> 250 0C
I 855.855.843.
ReferenceTairu, Hofmann, et al., 1999Tairu, Hofmann, et al., 1999, 2Bauchot, Mottram, et al., 1998
Comment MSDC-RI MSDC-RI MSDC-RI

References

Go To: Top, Van Den Dool and Kratz RI, non-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]

Özel, Gögüs, et al., 2006
Özel, M.Z.; Gögüs, F.; Lewis, A.C., Determination of Teucrium chamaedrys volatiles by using direct thermal desorption-comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry, J. Chromatogr. A, 2006, 1114, 1, 164-169, https://doi.org/10.1016/j.chroma.2006.02.036 . [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]

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]

Bell, 2004
Bell, W.A.-M., Examination of Aroma Volatiles Formed from Thermal Processing of Florida Reconstituted Grapefruit Juice. A Thesis presented to the graduate school of the university of Florida in partial fulfillment of the requirements for the degree of master of science, 2004. [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]

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]

Carrapiso, Jurado, et al., 2002
Carrapiso, A.I.; Jurado, Á.; Timón, M.L.; García, C., Odor-active compounds of Iberian hams with different aroma characteristics, J. Agric. Food Chem., 2002, 50, 22, 6453-6458, https://doi.org/10.1021/jf025526c . [all data]

Carrapiso, Ventanas, et al., 2002
Carrapiso, A.I.; Ventanas, J.; García, C., Characterization of the most odor-active compounds of Iberian ham headspace, J. Agric. Food Chem., 2002, 50, 7, 1996-2000, https://doi.org/10.1021/jf011094e . [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]

Beaulieu and Grimm, 2001
Beaulieu, J.C.; Grimm, C.C., Identification of volatile compounds in cantaloupe at various developmental stages using solid phase microextraction, J. Agric. Food Chem., 2001, 49, 3, 1345-1352, https://doi.org/10.1021/jf0005768 . [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]

Steinhaus and Schieberle, 2000
Steinhaus, M.; Schieberle, P., Comparison of the most odor-active compounds in fresh and dried hop cones (Humulus lupulus L. variety Spalter Select) based on GC-olfactometry and odor dilution techniques, J. Agric. Food Chem., 2000, 48, 5, 1776-1783, https://doi.org/10.1021/jf990514l . [all data]

Tairu, Hofmann, et al., 1999
Tairu, A.O.; Hofmann, T.; Schieberle, P., Characterization of the key aroma compounds in dried fruits of the West African peppertree Xylopia aethiopica (Dunal) A. Rich (Annonaceae) using aroma extract dilution analysis, J. Agric. Food Chem., 1999, 47, 8, 3285-3287, https://doi.org/10.1021/jf990228+ . [all data]

Tairu, Hofmann, et al., 1999, 2
Tairu, A.O.; Hofmann, T.; Schieberle, P., Identification of the key aroma compounds in dried fruits of Xylopia aethiopica in Perspectives on new crops and new users, Janick, J., ed(s)., ASHS Press, Alexandria, VA, USA, 1999, 474-478. [all data]

Bauchot, Mottram, et al., 1998
Bauchot, A.D.; Mottram, D.S.; Dodson, A.T.; John, P., Effect of aminocyclopropane-1-carboxylic acid oxidase antisense gene on the formation of volatile esters in cantaloupe charentais melon (Cv. Védrandais), J. Agric. Food Chem., 1998, 46, 11, 4787-4792, https://doi.org/10.1021/jf980692z . [all data]


Notes

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