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Butanoic acid, 2-methyl-, ethyl ester

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Van Den Dool and Kratz RI, 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-WaxDB-WaxInnowaxDB-WaxDB-Wax
Column length (m) 30.30.30.60.30.
Carrier gas HeHeH2HeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.32
Phase thickness (mum) 0.250.250.250.250.5
Tstart (C) 40.50.45.40.40.
Tend (C) 200.180.210.200.240.
Heat rate (K/min) 4.3.53.54.7.
Initial hold (min) 1.2.5.1. 
Final hold (min) 10.25.20.10.5.
I 1073.1048.1056.1073.1041.
ReferenceCho, Namgung, et al., 2008Botelho, Caldeira, et al., 2007Botelho, Caldeira, et al., 2007Cho I.H., Lee S.M., et al., 2007Mahattanatawee K., Perez-Cacho P.R., et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-FFAPFFAPSupelcowax-10DB-Wax EtrDB-Wax
Column length (m) 30.30.30.30.60.
Carrier gas He HeHeHe
Substrate      
Column diameter (mm) 0.320.320.320.250.25
Phase thickness (mum) 0.240.250.50.250.25
Tstart (C) 40.40.70.40.40.
Tend (C) 240.240.220.250.200.
Heat rate (K/min) 6.6.4.5.4.
Initial hold (min) 2.2.7.3.1.
Final hold (min) 10.10.20.15.10.
I 1043.1038.1063.1065.1073.
ReferenceScheidig, Czerny, et al., 2007Steinhaus and Schieberle, 2007Arena, Guarrera, et al., 2006Aubert C. and Pitrat M., 2006Cho, Kim, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxCP-Wax 52CBDB-WaxStabilwax
Column length (m) 60.30.60.30.30.
Carrier gas HeHeHe N2
Substrate      
Column diameter (mm) 0.250.320.250.320.32
Phase thickness (mum) 0.250.50.250.51.
Tstart (C) 40.40.40.40.40.
Tend (C) 265.265.250.200.230.
Heat rate (K/min) 7.7.4.5.4.
Initial hold (min)    3.2.
Final hold (min) 5.5. 8.10.
I 1057.1052.1055.1066.1062.
ReferenceGurbuz O., Rouseff J.M., et al., 2006Gurbuz O., Rouseff J.M., et al., 2006Kourkoutas, Elmore, et al., 2006Petka, Ferreira, et al., 2006Fang and Qian, 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Supelcowax-10DB-WaxDB-WaxZB-WaxDB-Wax
Column length (m) 30.30.30.30.30.
Carrier gas HeH2HeliumHeHe
Substrate      
Column diameter (mm) 0.250.250.320.250.25
Phase thickness (mum) 0.250.250.500.150.25
Tstart (C) 60.40.40.35.40.
Tend (C) 240.250.240.220.250.
Heat rate (K/min) 3.3.7.1.83.
Initial hold (min) 5.3. 10. 
Final hold (min) 10.20.5.10.20.
I 1083.1052.1022.1036.1037.
ReferenceRiu-Aumatell, Lopez-Tamames, et al., 2005Aubert and Bourger, 2004Bell, 2004Ledauphin, Saint-Clair, et al., 2004Brat, Rega, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-WaxDB-WaxDB-FFAPAT-WaxDB-Wax
Column length (m) 30.30.15.60.30.
Carrier gas N2  HeHe
Substrate      
Column diameter (mm) 0.250.320.320.320.32
Phase thickness (mum) 0.250.50.250.250.5
Tstart (C) 60.40.30.65.35.
Tend (C) 220.240.225.250.250.
Heat rate (K/min) 5.7.10.2.1.1
Initial hold (min) 10. 2.10. 
Final hold (min)  5.20.60.10.
I 1050.1069.1048.1040.1055.2
ReferenceEmilio Tomei, Manganelli, et al., 2003Valim, Rouseff, et al., 2003Zhou, Wintersteen, et al., 2002Pino and Marbot, 2001Siegmund, Derler, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillary
Active phase Supelcowax-10Supelcowax-10DB-WaxDB-Wax
Column length (m) 60.60.60.30.
Carrier gas HeHeHeHe
Substrate     
Column diameter (mm) 0.250.250.250.25
Phase thickness (mum) 0.250.25  
Tstart (C) 35.35.40.40.
Tend (C) 195.195.200.200.
Heat rate (K/min) 2.2.3.2.
Initial hold (min)  5.5.10.
Final hold (min) 90.90.  
I 1055.1055.1051.1048.
ReferenceChung, 2000Chung, 1999Sumitani, Suekane, et al., 1994Umano, Hagi, et al., 1992
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI

References

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

Botelho, Caldeira, et al., 2007
Botelho, G.; Caldeira, I.; Mendes-Faia, A.; Clímaco, M.C., Evaluation of two quantitative gas chromatography-olfactometry methods for clonal red wines differentiation, Flavour Fragr. J., 2007, 22, 5, 414-420, https://doi.org/10.1002/ffj.1815 . [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]

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]

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]

Arena, Guarrera, et al., 2006
Arena, E.; Guarrera, N.; Campisi, S.; Nicolosi Asmundo, C., Comparison of odour active compounds detected by gas-chromatography-olfactometry between hand-squeezed juices from different orange varieties, Food Chem., 2006, 98, 1, 59-63, https://doi.org/10.1016/j.foodchem.2005.04.035 . [all data]

Aubert C. and Pitrat M., 2006
Aubert C.; Pitrat M., Volatile compounds in the skin and pulp of Queen Anne's pocket melon, J. Agric. Food Chem., 2006, 54, 21, 8177-8182, https://doi.org/10.1021/jf061415s . [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]

Gurbuz O., Rouseff J.M., et al., 2006
Gurbuz O.; Rouseff J.M.; Rouseff R.L., Comparison of aroma volatiles in commercial Merlot and Cabernet Sauvignon wines using gas chromatography - Olfactometry and gas chromatography - Mass spectrometry, J. Agric. Food Chem., 2006, 54, 11, 3990-3996, https://doi.org/10.1021/jf053278p . [all data]

Kourkoutas, Elmore, et al., 2006
Kourkoutas, D.; Elmore, J.S.; Mottram, D.S., Comparison of the volatile compositions and flavour properties of cantaloupe, Galia and honeydew muskmelons, Food Chem., 2006, 97, 1, 95-102, https://doi.org/10.1016/j.foodchem.2005.03.026 . [all data]

Petka, Ferreira, et al., 2006
Petka, J.; Ferreira, V.; González-Viñas, M.A.; Cacho, J., Sensory and Chemical Characterization of the Aroma of a White Wine Made with Devín Grapes, J. Agric. Food Chem., 2006, 54, 3, 909-915, https://doi.org/10.1021/jf0518397 . [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]

Riu-Aumatell, Lopez-Tamames, et al., 2005
Riu-Aumatell, M.; Lopez-Tamames, E.; Buxaderas, S., Assessment of the Volatile Composition of Juices of Apricot, Peach, and Pear According to Two Pectolytic Treatments, J. Agric. Food Chem., 2005, 53, 20, 7837-7843, https://doi.org/10.1021/jf051397z . [all data]

Aubert and Bourger, 2004
Aubert, C.; Bourger, N., Investigation of volatiles in charentais cantaloupe melons (Cucumis melo Var. cantalupensis). Characterization of aroma constituents in some cultivars, J. Agric. Food Chem., 2004, 52, 14, 4522-4528, https://doi.org/10.1021/jf049777s . [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]

Ledauphin, Saint-Clair, et al., 2004
Ledauphin, J.; Saint-Clair, J.-F.; Lablanquie, O.; Guichard, H.; Founier, N.; Guichard, E.; Barillier, D., Identification of trace volatile compounds in freshly distilled calvados and cognac using preparative separations coupled with gas chromatography-mass spectrometry, J. Agric. Food Chem., 2004, 52, 16, 5124-5134, https://doi.org/10.1021/jf040052y . [all data]

Brat, Rega, et al., 2003
Brat, P.; Rega, B.; Alter, P.; Reynes, M.; Brillouet, J.-M., Distribution of volatile compounds in the pulp, cloud, and serum of freshly squeezed orange juice, J. Agric. Food Chem., 2003, 51, 11, 3442-3447, https://doi.org/10.1021/jf026226y . [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]

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]

Chung, 2000
Chung, H.Y., Volatile flavor components in red fermented soybean (Glycine max) curds, J. Agric. Food Chem., 2000, 48, 5, 1803-1809, https://doi.org/10.1021/jf991272s . [all data]

Chung, 1999
Chung, H.Y., Volatile components in fermented soybean (Glycine max) curds, J. Agric. Food Chem., 1999, 47, 7, 2690-2696, https://doi.org/10.1021/jf981166a . [all data]

Sumitani, Suekane, et al., 1994
Sumitani, H.; Suekane, S.; Nakatani, A.; Tatsuka, K., Changes in composition of volatile compounds in high pressure treated peach, J. Agric. Food Chem., 1994, 42, 3, 785-790, https://doi.org/10.1021/jf00039a037 . [all data]

Umano, Hagi, et al., 1992
Umano, K.; Hagi, Y.; Nakahara, K.; Shoji, A.; Shibamoto, T., Volatile constituents of green and ripened pineapple (Aanas comosus [L.] Merr.), J. Agric. Food Chem., 1992, 40, 4, 599-603, https://doi.org/10.1021/jf00016a014 . [all data]


Notes

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