Ethyl Acetate

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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-FFAPFFAPDB-WaxDB-WaxCP-Wax 52CB
Column length (m) 30.30.60.30.60.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.320.25
Phase thickness (μm) 0.50.250.250.50.25
Tstart (C) 35.35.40.40.40.
Tend (C) 225.225.265.265.250.
Heat rate (K/min) 4.10.7.7.4.
Initial hold (min) 5.5.   
Final hold (min) 30.25.5.5. 
I 896.889.891.894.889.
ReferenceJarunrattanasri, Theerakulkait, et al., 2007Lozano P.R., Miracle E.R., et al., 2007Gurbuz O., Rouseff J.M., et al., 2006Gurbuz O., Rouseff J.M., et al., 2006Kourkoutas, Elmore, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxSupelcowax-10StabilwaxDB-WaxDB-Wax
Column length (m) 60.60.30.60.60.
Carrier gas N2HeN2HeHe
Substrate      
Column diameter (mm) 0.250.250.320.320.32
Phase thickness (μm) 0.250.251.1.1.
Tstart (C) 70.40.40.45.45.
Tend (C) 230.280.230.250.250.
Heat rate (K/min) 2.4.4.5.5.
Initial hold (min) 2.2.2.1.1.
Final hold (min) 20. 10.12.12.
I 900.886.914.890.908.
ReferenceChoi, 2005Elmore, Nisyrios, et al., 2005Fang 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 DB-WaxDB-WaxCarbowaxDB-WaxDB-Wax
Column length (m) 30.30.60.60.30.
Carrier gas HeHeHeN2 
Substrate      
Column diameter (mm) 0.320.250.250.250.32
Phase thickness (μm) 0.50.250.50.250.5
Tstart (C) 40.40.50.70.35.
Tend (C) 240.250.250.230.240.
Heat rate (K/min) 5.3.5.2.5.
Initial hold (min) 5. 10.2.5.
Final hold (min)  20.10.20.5.
I 893.878.900.898.893.
ReferenceRega, Fournier, et al., 2004Brat, Rega, et al., 2003Censullo, Jones, et al., 2003Choi, 2003Rega, Fournier, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP-Wax 52CBDB-WaxDB-WaxDB-WaxDB-Wax
Column length (m) 50.60.60.30.60.
Carrier gas H2HeN2H2 
Substrate      
Column diameter (mm) 0.320.320.250.320.25
Phase thickness (μm)  0.50.250.50.25
Tstart (C) 50.30.70.67.40.
Tend (C) 200.160.230.240.200.
Heat rate (K/min) 2.3.2.5.3.
Initial hold (min)   2. 5.
Final hold (min)  5.20. 60.
I 870.901.904.901.880.
ReferenceLiu, Yang, et al., 2001Beauchene, Grua-Priol, et al., 2000Choi and Sawamura, 2000Escudero and Etiévant, 1999Cha, Kim, et al., 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase FFAPDB-WaxPEG-20MDB-WaxDB-Wax
Column length (m) 30.60.60.60.60.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.320.250.250.25
Phase thickness (μm) 0.250.50.250.250.25
Tstart (C) 20.50.50.50.50.
Tend (C) 200.225.230.230.230.
Heat rate (K/min) 4.2.2.3.2.
Initial hold (min) 1.    
Final hold (min) 1.20.60. 60.
I 894.870.891.863.891.
ReferenceOtt, Fay, et al., 1997Sagrero-Nieves, Bartley, et al., 1997Shimoda, Nakada, et al., 1997Shimoda, Peralta, et al., 1996Shimoda, Shiratsuchi, et al., 1996
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxDB-WaxDB-WaxDB-Wax
Column length (m) 60.60.30.60.60.
Carrier gas HeHeHe He
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.25 0.250.25
Tstart (C) 50.50.40.50.50.
Tend (C) 230.230.200.230.230.
Heat rate (K/min) 3.2.2.2.2.
Initial hold (min)   5.  
Final hold (min)    60.60.
I 882.863.887.888.888.
ReferenceShimoda, Wu, et al., 1996Shimoda, Shigematsu, et al., 1995Iwaoka, Hagi, et al., 1994Shiratsuchi, Shimoda, et al., 1994Shiratsuchi, Shimoda, et al., 1994, 2
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxHP-20MHP-FFAPDB-WaxDB-Wax
Column length (m) 60.50.50.60.30.
Carrier gas HeHeHe He
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm)    0.25 
Tstart (C) 40.60.60.50.40.
Tend (C) 200.190.210.230.200.
Heat rate (K/min) 3.3.3.2.2.
Initial hold (min) 5.  4.10.
Final hold (min)    30. 
I 890.907.902.885.884.
ReferenceSumitani, Suekane, et al., 1994Chung, Eiserich, et al., 1993Chung, Eiserich, et al., 1993Shiratsuchi, Shimoda, et al., 1993Umano, Hagi, et al., 1992
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP-Wax 52CBCarbowax 20MCarbowax 20MDB-WaxDB-Wax
Column length (m) 50.25.25.30.30.
Carrier gas H2  HeHe
Substrate      
Column diameter (mm) 0.320.310.310.320.25
Phase thickness (μm)    0.250.25
Tstart (C) 50.50.50.40.50.
Tend (C) 200.200.200.220.250.
Heat rate (K/min) 1.52.2.5.4.
Initial hold (min) 10.  3.3.
Final hold (min) 80.    
I 870.870.872.867.867.
ReferenceWu and Liou, 1992Suárez and Duque, 1991Suárez and Duque, 1991Frohlich and Schreier, 1990Fröhlich, Duque, et al., 1989
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxSupelcowax-10Supelcowax-10Carbowax 20MCarbowax 20M
Column length (m) 30.60.60.50.50.
Carrier gas He  HeH2
Substrate      
Column diameter (mm) 0.250.250.250.320.2
Phase thickness (μm) 0.250.250.25  
Tstart (C) 50.40.40.50.50.
Tend (C) 250.175.175.200.200.
Heat rate (K/min) 4.2.2.2.2.
Initial hold (min) 3.5.5.5. 
Final hold (min)  20.20.40.55.
I 881.890.893.854.882.
ReferenceFröhlich, Duque, et al., 1989Tanchotikul and Hsieh, 1989Tanchotikul and Hsieh, 1989Chen, Kuo, et al., 1986Wu and Liou, 1986
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryPacked
Active phase OV-351Carbowax 20MCarbowax 20M
Column length (m) 25.  
Carrier gas N2He 
Substrate   Celite 545
Column diameter (mm) 0.32  
Phase thickness (μm)    
Tstart (C) 100.50.75.
Tend (C) 230.160.228.
Heat rate (K/min) 6.1.4.6
Initial hold (min)  10. 
Final hold (min)    
I 892.881.866.
ReferenceKorhonen, 1985Chen, Kuo, et al., 1982van den Dool and Kratz, 1963
Comment 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.

Jarunrattanasri, Theerakulkait, et al., 2007
Jarunrattanasri, A.; Theerakulkait, C.; Cadwallader, K.R., Aroma Components of Acid-Hydrolyzed Vegetable Protein Made by Partial Hydrolysis of Rice Bran Protein, J. Agric. Food Chem., 2007, 55, 8, 3044-3050, https://doi.org/10.1021/jf0631474 . [all data]

Lozano P.R., Miracle E.R., et al., 2007
Lozano P.R.; Miracle E.R.; Krause A.J.; Drake M.; Cadwallader K.R., Effect of cold storage and packaging material on the major aroma components of sweet cream butter, J. Agric. Food Chem., 2007, 55, 19, 7840-7846, https://doi.org/10.1021/jf071075q . [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]

Choi, 2005
Choi, H.-S., Characteristic odor components of kumquat (Fortunella japonica Swingle) peel oil, J. Agric. Food Chem., 2005, 53, 5, 1642-1647, https://doi.org/10.1021/jf040324x . [all data]

Elmore, Nisyrios, et al., 2005
Elmore, J.S.; Nisyrios, I.; Mottram, D.S., Analysis of the headspace aroma compounds of walnuts (Juglans regia L.), Flavour Fragr. J., 2005, 20, 5, 501-506, https://doi.org/10.1002/ffj.1477 . [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]

Rega, Fournier, et al., 2004
Rega, B.; Fournier, N.; Nicklaus, S.; Guichard, E., Role of pulp in flavor release and sensory perception in orange juice, J. Agric. Food Chem., 2004, 52, 13, 4204-4212, https://doi.org/10.1021/jf035361n . [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]

Censullo, Jones, et al., 2003
Censullo, A.C.; Jones, D.R.; Wills, M.T., Speciation of the volatile organic compounds (VOCs) in solventborne aerosol coatings by solid phase microextraction-gas chromatography, J. Coat. Technol., 2003, 75, 936, 47-53, https://doi.org/10.1007/BF02697922 . [all data]

Choi, 2003
Choi, H.-S., Character impact odorants of Citrus Hallabong [(C. unshiu Marcov × C. sinensis Osbeck) × C. reticulata Blanco] cold-pressed peel oil, J. Agric. Food Chem., 2003, 51, 9, 2687-2692, https://doi.org/10.1021/jf021069o . [all data]

Rega, Fournier, et al., 2003
Rega, B.; Fournier, N.; Guichard, E., Solid phase microextraction (SPME) of orange juice flavor: odor representativeness by direct gas chromatography olfactometry (D-GC-O), J. Agric. Food Chem., 2003, 51, 24, 7092-7099, https://doi.org/10.1021/jf034384z . [all data]

Liu, Yang, et al., 2001
Liu, T.-T.; Yang, T.-S.; Wu, C.-M., Changes of volatiles in soy sauce-stewed pork during cold storage and reheating, J. Sci. Food Agric., 2001, 81, 15, 1547-1552, https://doi.org/10.1002/jsfa.978 . [all data]

Beauchene, Grua-Priol, et al., 2000
Beauchene, D.; Grua-Priol, J.; Lamer, T.; Demaimay, M.; Quemeneur, F., Concentration by pervaporation of aroma compounds from Fucus serratus, J. Sci. Food Agric., 2000, 75, 451-458. [all data]

Choi and Sawamura, 2000
Choi, H.-S.; Sawamura, M., Composition of the essential oil of Citrus tamurana Hort. ex Tanaka (Hyuganatsu), J. Agric. Food Chem., 2000, 48, 10, 4868-4873, https://doi.org/10.1021/jf000651e . [all data]

Escudero and Etiévant, 1999
Escudero, A.; Etiévant, P., Effect of antioxidants on the flavor characteristics and the gas chromatography/olfactometry profiles of champagne extracts, J. Agric. Food Chem., 1999, 47, 8, 3303-3308, https://doi.org/10.1021/jf9813790 . [all data]

Cha, Kim, et al., 1998
Cha, Y.J.; Kim, H.; Cadwallader, K.R., Aroma-active compounds in Kimchi during fermentation, J. Agric. Food Chem., 1998, 46, 5, 1944-1953, https://doi.org/10.1021/jf9706991 . [all data]

Ott, Fay, et al., 1997
Ott, A.; Fay, L.B.; Chaintreau, A., Determination and origin of the aroma impact compounds of yogurt flavor, J. Agric. Food Chem., 1997, 45, 3, 850-858, https://doi.org/10.1021/jf960508e . [all data]

Sagrero-Nieves, Bartley, et al., 1997
Sagrero-Nieves, L.; Bartley, J.P.; Griselda Espinosa, B.; Dominguez, X.A.; Julia Verde S., Essential oil composition of Aristolochia brevipes Benth., Flavour Fragr. J., 1997, 12, 6, 401-403, https://doi.org/10.1002/(SICI)1099-1026(199711/12)12:6<401::AID-FFJ673>3.0.CO;2-D . [all data]

Shimoda, Nakada, et al., 1997
Shimoda, M.; Nakada, Y.; Nakashima, M.; Osajima, Y., Quantitative comparison of volatile flavor compounds in deep-roasted and light-roasted sesame seed oil, J. Agric. Food Chem., 1997, 45, 8, 3193-3196, https://doi.org/10.1021/jf970172o . [all data]

Shimoda, Peralta, et al., 1996
Shimoda, M.; Peralta, R.R.; Osajima, Y., Headspace gas analysis of fish sauce, J. Agric. Food Chem., 1996, 44, 11, 3601-3605, https://doi.org/10.1021/jf960345u . [all data]

Shimoda, Shiratsuchi, et al., 1996
Shimoda, M.; Shiratsuchi, H.; Nakada, Y.; Wu, Y.; Osajima, Y., Identification and sensory characterization of volatile flavor compounds in sesame seed oil, J. Agric. Food Chem., 1996, 44, 12, 3909-3912, https://doi.org/10.1021/jf960115f . [all data]

Shimoda, Wu, et al., 1996
Shimoda, M.; Wu, Y.; Osajima, Y., Aroma compounds from aqueous solution of Haze (Rhus succedanea) honey determined by adsorptive column chromatography, J. Agric. Food Chem., 1996, 44, 12, 3913-3918, https://doi.org/10.1021/jf9601168 . [all data]

Shimoda, Shigematsu, et al., 1995
Shimoda, M.; Shigematsu, H.; Shiratsuchi, H.; Osajima, Y., Comparison of volatile compounds among different grades of green tea and their relations to odor attributes, J. Agric. Food Chem., 1995, 43, 6, 1621-1625, https://doi.org/10.1021/jf00054a038 . [all data]

Iwaoka, Hagi, et al., 1994
Iwaoka, W.; Hagi, Y.; Umano, K.; Shibamoto, T., Volatile chemicals identified in fresh and cooked breadfruit, J. Agric. Food Chem., 1994, 42, 4, 975-976, https://doi.org/10.1021/jf00040a026 . [all data]

Shiratsuchi, Shimoda, et al., 1994
Shiratsuchi, H.; Shimoda, M.; Imayoshi, K.; Noda, K.; Osajima, Y., Off-flavor compounds in spray-dried skim milk powder, J. Agric. Food Chem., 1994, 42, 6, 1323-1327, https://doi.org/10.1021/jf00042a014 . [all data]

Shiratsuchi, Shimoda, et al., 1994, 2
Shiratsuchi, H.; Shimoda, M.; Imayoshi, K.; Noda, K.; Osajima, Y., Volatile flavor compounds in spray-dried skim milk powder, J. Agric. Food Chem., 1994, 42, 4, 984-988, https://doi.org/10.1021/jf00040a028 . [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]

Chung, Eiserich, et al., 1993
Chung, T.Y.; Eiserich, J.P.; Shibamoto, T., Volatile compounds isolated from edible Korean chamchwi (Aster scaber Thunb), J. Agric. Food Chem., 1993, 41, 10, 1693-1697, https://doi.org/10.1021/jf00034a033 . [all data]

Shiratsuchi, Shimoda, et al., 1993
Shiratsuchi, H.; Shimoda, M.; Minegishi, Y.; Osajima, Y., Isolation and identification of volatile flavor compounds in nonfermented coarse-cut sausage. Flavor as a quality factor of nonfermented sausage. 1, J. Agric. Food Chem., 1993, 41, 4, 647-652, https://doi.org/10.1021/jf00028a027 . [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]

Wu and Liou, 1992
Wu, C.-M.; Liou, S.-E., Volatile components of water-boiled duck meat and Cantonese style roasted duck, J. Agric. Food Chem., 1992, 40, 5, 838-841, https://doi.org/10.1021/jf00017a026 . [all data]

Suárez and Duque, 1991
Suárez, M.; Duque, C., Volatile constituents of lulo (Salanum vestissimum D.) fruit, J. Agric. Food Chem., 1991, 39, 8, 1498-1500, https://doi.org/10.1021/jf00008a026 . [all data]

Frohlich and Schreier, 1990
Frohlich, O.; Schreier, P., Volatile Constituents of Loquat (Eriobotrya japonica Lindl.) Fruit, J. Food Sci., 1990, 55, 1, 176-180, https://doi.org/10.1111/j.1365-2621.1990.tb06046.x . [all data]

Fröhlich, Duque, et al., 1989
Fröhlich, O.; Duque, C.; Schreier, P., Volatile constituents of curuba (Passiflora mollissima) fruit, J. Agric. Food Chem., 1989, 37, 2, 421-425, https://doi.org/10.1021/jf00086a033 . [all data]

Tanchotikul and Hsieh, 1989
Tanchotikul, U.; Hsieh, T.C.-Y., Volatile Flavor Components in Crayfish Waste, J. Food Sci., 1989, 54, 6, 1515-1520, https://doi.org/10.1111/j.1365-2621.1989.tb05149.x . [all data]

Chen, Kuo, et al., 1986
Chen, C.-C.; Kuo, M.-C.; Liu, S.-E.; Wu, C.-M., Volatile components of salted and pickled prunes (Prunus mume Sieb. et Zucc.), J. Agric. Food Chem., 1986, 34, 1, 140-144, https://doi.org/10.1021/jf00067a038 . [all data]

Wu and Liou, 1986
Wu, C.-M.; Liou, S.-E., Effect of tissue disruption of volatile constituents of bell peppers, J. Agric. Food Chem., 1986, 34, 4, 770-772, https://doi.org/10.1021/jf00070a044 . [all data]

Korhonen, 1985
Korhonen, I.O.O., Gas-liquid chromatographic analyses. XLIII. Retention increments for 2-chloro-, 2,2-dichloro- and 2,2,2-trichloroethyl esters of aliphatic C2-C20 n-alkanoic acids on SE-30 and OV-351 capillary columns, J. Chromatogr., 1985, 329, 43-56, https://doi.org/10.1016/S0021-9673(01)81894-X . [all data]

Chen, Kuo, et al., 1982
Chen, C.-C.; Kuo, M.-C.; Hwang, L.S.; Wu, J.S.-B.; Wu, C.-M., Headspace components of passion fruit juice, J. Agric. Food Chem., 1982, 30, 6, 1211-1215, https://doi.org/10.1021/jf00114a052 . [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