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Butanoic acid, 3-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-WaxInnowaxDB-WaxDB-FFAPDB-Wax
Column length (m) 30.30.30.30.60.
Carrier gas HeH2HeHeHe
Substrate      
Column diameter (mm) 0.250.250.320.320.25
Phase thickness (mum) 0.250.250.50.240.25
Tstart (C) 50.45.40.40.40.
Tend (C) 180.210.240.240.265.
Heat rate (K/min) 3.53.57.6.7.
Initial hold (min) 2.5. 2. 
Final hold (min) 25.20.5.10.5.
I 1064.1070.1056.1064.1072.
ReferenceBotelho, Caldeira, et al., 2007Botelho, Caldeira, et al., 2007Mahattanatawee K., Perez-Cacho P.R., et al., 2007Scheidig, Czerny, et al., 2007Gurbuz O., Rouseff J.M., et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxStabilwaxDB-WaxDB-Wax
Column length (m) 30.30.30.60.60.
Carrier gas He N2HeHe
Substrate      
Column diameter (mm) 0.320.320.320.320.32
Phase thickness (mum) 0.50.51.1.1.
Tstart (C) 40.40.40.45.45.
Tend (C) 265.200.230.250.250.
Heat rate (K/min) 7.5.4.5.5.
Initial hold (min)  3.2.1.1.
Final hold (min) 5.8.10.12.12.
I 1071.1082.1076.1100.1080.
ReferenceGurbuz O., Rouseff J.M., et al., 2006Petka, Ferreira, et al., 2006Fang and Qian, 2005Malliaa, Fernandez-Garcia, et al., 2005Malliaa, Fernandez-Garcia, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Supelcowax-10ZB-WaxDB-WaxDB-WaxHP-Wax
Column length (m) 30.30.30.30.30.
Carrier gas HeHeHeHeN2
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (mum) 0.250.150.250.250.25
Tstart (C) 60.35.40.40.60.
Tend (C) 240.220.240.240.220.
Heat rate (K/min) 3.1.86.6.5.
Initial hold (min) 5.10.10.10.10.
Final hold (min) 10.10.25.25. 
I 1096.1053.1049.1055.1065.
ReferenceRiu-Aumatell, Lopez-Tamames, et al., 2005Ledauphin, Saint-Clair, et al., 2004Varming, Andersen, et al., 2004Varming, Petersen, et al., 2004Emilio Tomei, Manganelli, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase AT-WaxDB-WaxDB-WaxDB-FFAPDB-FFAP
Column length (m) 60.30.30.15.15.
Carrier gas He He  
Substrate      
Column diameter (mm) 0.320.320.250.320.32
Phase thickness (mum) 0.250.50.250.250.25
Tstart (C) 65.40.40.30.30.
Tend (C) 250.240.200.225.225.
Heat rate (K/min) 2.7.3.10.10.
Initial hold (min) 10. 5.2.2.
Final hold (min) 60.5.20.20.20.
I 1046.1077.1067.1061.1059.
ReferencePino, Almora, et al., 2003Valim, Rouseff, et al., 2003Kim T.H., Kim T.H., et al., 2002Zhou, Wintersteen, et al., 2002Zhou, Wintersteen, et al., 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryPacked
Active phase AT-WaxSupelcowax-10Supelcowax-10Carbowax 20M
Column length (m) 60.60.60. 
Carrier gas HeHeHe 
Substrate    Celite 545
Column diameter (mm) 0.320.250.25 
Phase thickness (mum) 0.250.250.25 
Tstart (C) 65.35.35.75.
Tend (C) 250.195.195.228.
Heat rate (K/min) 2.2.2.4.6
Initial hold (min) 10. 5. 
Final hold (min) 60.90.90. 
I 1054.1072.1072.1064.
ReferencePino and Marbot, 2001Chung, 2000Chung, 1999van den Dool and Kratz, 1963
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.

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]

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]

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]

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]

Malliaa, Fernandez-Garcia, et al., 2005
Malliaa, S.; Fernandez-Garcia, E.; Bosset, J.O., Comparison of purge and trap and solid phase microextraction techniques for studying the volatile aroma compounds of three European PDO hard cheeses, Int. Dairy J., 2005, 15, 6-9, 741-758, https://doi.org/10.1016/j.idairyj.2004.11.007 . [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]

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]

Varming, Andersen, et al., 2004
Varming, C.; Andersen, M.L.; Poll, L., Influence of thermal treatment on black currant (Ribes nigrum L.) juice aroma, J. Agric. Food Chem., 2004, 52, 25, 7628-7636, https://doi.org/10.1021/jf049435m . [all data]

Varming, Petersen, et al., 2004
Varming, C.; Petersen, M.A.; Poll, L., Comparison of isolation methods for the determination of important aroma compounds in black currant (Ribes nigrum L.) juice, using nasal impact frequency profiling, J. Agric. Food Chem., 2004, 52, 6, 1647-1652, https://doi.org/10.1021/jf035133t . [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]

Pino, Almora, et al., 2003
Pino, J.; Almora, K.; Marbot, R., Volatile components of papaya (Carica papaya L., maradol variety) fruit, Flavour Fragr. J., 2003, 18, 6, 492-496, https://doi.org/10.1002/ffj.1248 . [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]

Kim T.H., Kim T.H., et al., 2002
Kim T.H.; Kim T.H.; Shin J.H.; Yu E.J.; Kim Y.S.; Lee H.J., Characteristics of aroma-active compounds in the pectin-elicited suspension culture of Zanthoxylum piperitum (prickly ash), Biotechnology Letters, 2002, 24, 7, 551-556, https://doi.org/10.1023/A:1014812508441 . [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]

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]

van den Dool and Kratz, 1963
van den Dool, H.; Kratz, P. Dec., A generalization of the retention index system including linear temperature programmed gas-liquid partition chromatography, J. Chromatogr., 1963, 11, 463-471, https://doi.org/10.1016/S0021-9673(01)80947-X . [all data]


Notes

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