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Butanoic acid, 2-methyl-, ethyl ester

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Van Den Dool and Kratz RI, non-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 DB-5MSDB-5MSSPB-5DB-5DB-5
Column length (m) 30.30.60.30.30.
Carrier gas HeHe HeHe
Substrate      
Column diameter (mm) 0.250.250.320.320.32
Phase thickness (mum) 0.250.251.0.50.24
Tstart (C) 40.40.40.40.40.
Tend (C) 200.200.230.265.240.
Heat rate (K/min) 4.4.3.7.6.
Initial hold (min) 1.1.2. 2.
Final hold (min) 10.10.10.5.10.
I 893.895.848.840.850.
ReferenceCho, Namgung, et al., 2008Cho I.H., Lee S.M., et al., 2007Engel and Ratel, 2007Mahattanatawee K., Perez-Cacho P.R., et al., 2007Scheidig, Czerny, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase RTX-5DB-5DB-5DB-5MSDB-5
Column length (m) 10.30.30.30.30.
Carrier gas He  HeN2
Substrate      
Column diameter (mm) 0.180.320.250.250.32
Phase thickness (mum) 0.20.251.0.251.
Tstart (C) 40.40.50.40.40.
Tend (C) 275.240.290.200.230.
Heat rate (K/min) 50.6.10.4.4.
Initial hold (min) 0.52.1.1.2.
Final hold (min) 0.510.10.10.10.
I 854.847.835.895.849.
ReferenceSetkova, Risticevic, et al., 2007Steinhaus and Schieberle, 2007Bylaite and Meyer, 2006Cho, Kim, et al., 2006Fang and Qian, 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5HP-5HP-5MSZB-5CP-Sil 8CB-MS
Column length (m) 30.30.30.30.60.
Carrier gas HeHeHeHelium 
Substrate      
Column diameter (mm) 0.250.250.250.320.25
Phase thickness (mum) 0.250.250.250.500.25
Tstart (C) 50.50.60.40.40.
Tend (C) 250.250.250.265.280.
Heat rate (K/min) 4.4.4.7.4.
Initial hold (min) 5.5.2. 2.
Final hold (min) 15.15.20.5.5.
I 850.850.842.847.846.
ReferenceMahattanatawee, Goodner, et al., 2005Mahattanatawee, Goodner, et al., 2005Pino, Mesa, et al., 2005Bell, 2004Hierro, de la Hoz, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP-Sil 8CB-MSHP-5DB-5DB-5CP Sil 5 CB
Column length (m) 60.30.60.15.50.
Carrier gas  N2He He
Substrate      
Column diameter (mm) 0.250.250.250.320.32
Phase thickness (mum) 0.250.250.250.50.4
Tstart (C) 40.60.40.30.60.
Tend (C) 280.220.275.225.280.
Heat rate (K/min) 4.5.7.10.3.
Initial hold (min) 2.10. 2.10.
Final hold (min) 5.  20.60.
I 851.841.846.850.829.
ReferenceBruna, Hierro, et al., 2003Emilio Tomei, Manganelli, et al., 2003Valim, Rouseff, et al., 2003Zhou, Wintersteen, et al., 2002Pino and Marbot, 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5HP-5HP-5OV-101OV-101
Column length (m) 30.30.30.15.15.
Carrier gas HeHeHe  
Substrate      
Column diameter (mm) 0.0530.250.250.320.32
Phase thickness (mum) 1.5 0.25  
Tstart (C) 0.50.35.35.35.
Tend (C) 230.200.280.250.250.
Heat rate (K/min) 6.4.5.36.6.
Initial hold (min)  1. 3.3.
Final hold (min)   5.  
I 848.870.850.0843.843.
ReferenceRychlik and Bosset, 2001Shalit, Katzir, et al., 2001Siegmund, Derler, et al., 2001Chisholm, Guiher, et al., 1994Chisholm, Guiher, et al., 1994
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type Capillary
Active phase OV-101
Column length (m) 15.
Carrier gas  
Substrate  
Column diameter (mm) 0.32
Phase thickness (mum)  
Tstart (C) 35.
Tend (C) 250.
Heat rate (K/min) 6.
Initial hold (min) 3.
Final hold (min)  
I 845.
ReferenceChisholm, Guiher, et al., 1994
Comment MSDC-RI

References

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

Cho, Namgung, et al., 2008
Cho, I.H.; Namgung, H.-J.; Choi, H.-K.; Kim, Y.-S., Volatiles and key odorants in the pileus and stipe of pine-mushroom (Tricholoma matsutake Sing.), Food Chem., 2008, 106, 1, 71-76, https://doi.org/10.1016/j.foodchem.2007.05.047 . [all data]

Cho I.H., Lee S.M., et al., 2007
Cho I.H.; Lee S.M.; Kim S.Y.; Choi H.K.; Kim K.O.; Kim Y.S., Differentiation of aroma characteristics of pine-mushrooms (Tricholoma matsutake Sing.) of different grades using gas chromatography-olfactometry and sensory analysis, J. Agric. Food Chem., 2007, 55, 6, 2323-2328, https://doi.org/10.1021/jf062702z . [all data]

Engel and Ratel, 2007
Engel, E.; Ratel, J., Correction of the data generated by mass spectrometry analyses of biological tissues: Application to food authentication, J. Chromatogr. A, 2007, 1154, 1-2, 331-341, https://doi.org/10.1016/j.chroma.2007.02.012 . [all data]

Mahattanatawee K., Perez-Cacho P.R., et al., 2007
Mahattanatawee K.; Perez-Cacho P.R.; Davenport T.; Rouseff R., Comparison of three lychee cultivar odor profiles using gas chromatography-olfactometry and gas chromatography-sulfur detection, J. Agric. Food Chem., 2007, 55, 5, 1939-1944, https://doi.org/10.1021/jf062925p . [all data]

Scheidig, Czerny, et al., 2007
Scheidig, C.; Czerny, M.; Schieberle, P., Changes in Key Odorants of Raw Coffee Beans during Storage under Defined Conditions, J. Agric. Food Chem., 2007, 55, 14, 5768-5775, https://doi.org/10.1021/jf070488o . [all data]

Setkova, Risticevic, et al., 2007
Setkova, L.; Risticevic, S.; Pawliszyn, J., Rapid headspace solid-phase microextraction-gas chromatographic-time-of-flight mass spectrometric method for qualitative profiling of ice wine volatile fraction I. Method development and optimization, J. Chromatogr. A, 2007, 1147, 2, 213-223, https://doi.org/10.1016/j.chroma.2007.02.058 . [all data]

Steinhaus and Schieberle, 2007
Steinhaus, P.; Schieberle, P., Characterization of the key aroma compounds in soy sauce using approaches of molecular sensory science, J. Agric. Food Chem., 2007, 55, 15, 6262-6269, https://doi.org/10.1021/jf0709092 . [all data]

Bylaite and Meyer, 2006
Bylaite, E.; Meyer, A.S., · Characterisation of volatile aroma compounds of orange juices by three dynamic and static headspace gas chromatography techniques, Eur. Food Res. Technol., 2006, 222, 1-2, 176-184, https://doi.org/10.1007/s00217-005-0141-8 . [all data]

Cho, Kim, et al., 2006
Cho, I.H.; Kim, S.Y.; Choi, H.-K.; Kim, Y.-S., Characterization of Aroma-Active Compounds in Raw and Cooked Pine-Mushrooms (Tricholoma matsutake Sing.), J. Agric. Food Chem., 2006, 54, 17, 6332-6335, https://doi.org/10.1021/jf060824l . [all data]

Fang and Qian, 2005
Fang, Y.; Qian, M., Aroma compounds in Oregon Pinot Noir wine determined by aroma extract dilution analysis (AEDA), Flavour Fragr. J., 2005, 20, 1, 22-29, https://doi.org/10.1002/ffj.1551 . [all data]

Mahattanatawee, Goodner, et al., 2005
Mahattanatawee, K.; Goodner, K.L.; Baldwin, E.A., Volatile constituents and character impact compounds of selected Florida's tropical fruit, Proc. Fla. State Hort. Soc., 2005, 118, 414-418. [all data]

Pino, Mesa, et al., 2005
Pino, J.A.; Mesa, J.; Muñoz, Y.; Martí, M.P.; Marbot, R., Volatile components from mango (Mangifera indica L.) cultivars, J. Agric. Food Chem., 2005, 53, 6, 2213-2223, https://doi.org/10.1021/jf0402633 . [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]

Hierro, de la Hoz, et al., 2004
Hierro, E.; de la Hoz, L.; Ordóñez, J.A., Headspace volatile compounds from salted and occasionally smoked dried meats (cecinas) as affected by animal species, Food Chem., 2004, 85, 4, 649-657, https://doi.org/10.1016/j.foodchem.2003.07.001 . [all data]

Bruna, Hierro, et al., 2003
Bruna, J.M.; Hierro, E.M.; de la Hoz, L.; Mottram, D.S.; Fernández, M.; Ordóñez, J.A., Changes in selected biochemical and sensory parameters as affected by the superficial inoculation of Penicillium camemberti on dry fermented sausages, Int. J. Food Microbiol., 2003, 85, 1-2, 111-125, https://doi.org/10.1016/S0168-1605(02)00505-6 . [all data]

Emilio Tomei, Manganelli, et al., 2003
Emilio Tomei, P.; Manganelli, R.E.U.; Flamini, G.; Cioni, P.L.; Morelli, I., Composition of the essential oil of Mentha microphylla from the Gennargentu Mountains (Sardinia, Italy), J. Agric. Food Chem., 2003, 51, 12, 3614-3617, https://doi.org/10.1021/jf026091w . [all data]

Valim, Rouseff, et al., 2003
Valim, M.F.; Rouseff, R.L.; Lin, J., Gas chromatographic-olfactometric characterization of aroma compounds in two types of cashew apple nectar, J. Agric. Food Chem., 2003, 51, 4, 1010-1015, https://doi.org/10.1021/jf025738+ . [all data]

Zhou, Wintersteen, et al., 2002
Zhou, Q.; Wintersteen, C.L.; Cadwallader, K.R., Identification and quantification of aroma-active components that contribute to the distinct malty flavor of buckwheat honey, J. Agric. Food Chem., 2002, 50, 7, 2016-2021, https://doi.org/10.1021/jf011436g . [all data]

Pino and Marbot, 2001
Pino, J.A.; Marbot, R., Volatile flavor constituents of acerola (Malpighia emarginata DC.) fruit, J. Agric. Food Chem., 2001, 49, 12, 5880-5882, https://doi.org/10.1021/jf010270g . [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]

Shalit, Katzir, et al., 2001
Shalit, M.; Katzir, N.; Tadmor, Y.; Larkov, O.; Burger, Y.; Shalekhet, F.; Lastochkin, E.; Ravid, U.; Amar, O.; Edelstein, M.; Karchi, Z.; Lewinsohn, E., Acetyl-CoA: alcohol acetyltransferase activity and aroma formation in ripening melon fruits, J. Agric. Food Chem., 2001, 49, 2, 794-799, https://doi.org/10.1021/jf001075p . [all data]

Siegmund, Derler, et al., 2001
Siegmund, B.; Derler, K.; Pfannhauser, W., Changes in the aroma of a strawberry drink during storage, J. Agric. Food Chem., 2001, 49, 7, 3244-3252, https://doi.org/10.1021/jf010116u . [all data]

Chisholm, Guiher, et al., 1994
Chisholm, M.G.; Guiher, L.A.; Vonah, T.M.; Beaumont, J.L., Comparison of some French-American hybrid wines with white Riesling using gas chromatography-olfactometry, Am. J. Enol. Vitic, 1994, 45, 2, 201-212. [all data]


Notes

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