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Octanoic acid, 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-WaxSupelcowax-10
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) 40.50.45.40.70.
Tend (C) 200.180.210.200.220.
Heat rate (K/min) 4.3.53.54.4.
Initial hold (min) 1.2.5.1.7.
Final hold (min) 10.25.20.10.20.
I 1440.1433.1446.1435.1448.
ReferenceCho, Namgung, et al., 2008Botelho, Caldeira, et al., 2007Botelho, Caldeira, et al., 2007Cho I.H., Lee S.M., et al., 2007Arena, Guarrera, et al., 2006
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) 60.60.60.30.30.
Carrier gas HeHeHeHe 
Substrate      
Column diameter (mm) 0.250.250.250.320.32
Phase thickness (mum) 0.250.250.250.50.5
Tstart (C) 40.40.40.40.40.
Tend (C) 200.200.265.265.200.
Heat rate (K/min) 4.4.7.7.5.
Initial hold (min) 1.1.  3.
Final hold (min) 10.10.5.5.8.
I 1440.1435.1444.1436.1444.
ReferenceCho, Choi, et al., 2006Cho, Kim, et al., 2006Gurbuz O., Rouseff J.M., et al., 2006Gurbuz O., Rouseff J.M., et al., 2006Petka, Ferreira, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase LM-120OV-351StabilwaxDB-WaxDB-Wax
Column length (m) 50.50.30.60.60.
Carrier gas  HeN2HeHe
Substrate      
Column diameter (mm) 0.250.320.320.320.32
Phase thickness (mum) 0.50.21.1.1.
Tstart (C) 50.60.40.45.45.
Tend (C) 240.220.230.250.250.
Heat rate (K/min) 3.5.4.5.5.
Initial hold (min)   2.1.1.
Final hold (min) 30. 10.12.12.
I 1454.1426.1438.1449.1463.
ReferencePinto, Guedes, et al., 2006Bonvehí, 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 InnowaxSupelcowax-10ZB-WaxOV-351DB-Wax
Column length (m) 30.30.30.50.30.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.320.25
Phase thickness (mum) 0.250.250.150.20.25
Tstart (C) 40.60.35.60.40.
Tend (C) 200.240.220.220.250.
Heat rate (K/min) 5.3.1.85.3.
Initial hold (min) 5.5.10.  
Final hold (min) 2.10.10. 20.
I 1432.1431.1428.1426.1412.
ReferencePena, Barciela, et al., 2005Riu-Aumatell, Lopez-Tamames, et al., 2005Ledauphin, Saint-Clair, et al., 2004Bonvehi and Coll, 2003Brat, Rega, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase AT-WaxDB-WaxDB-WaxAT-WaxAT-Wax
Column length (m) 60.30.60.60.60.
Carrier gas He HeHeHe
Substrate      
Column diameter (mm) 0.320.320.320.320.32
Phase thickness (mum) 0.250.50.50.250.25
Tstart (C) 65.35.67.65.65.
Tend (C) 250.240.235.250.250.
Heat rate (K/min) 2.5.2.72.2.
Initial hold (min) 10.5. 10.10.
Final hold (min) 60.5.30.60.60.
I 1423.1441.1458.1425.1424.
ReferencePino, Almora, et al., 2003Rega, Fournier, et al., 2003Claudela, Dirningera, et al., 2002Pino, Marbot, et al., 2002Pino and Marbot, 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase AT-WaxSupelcowax-10Supelcowax-10Carbowax 20MDB-Wax
Column length (m) 60.60.60.60.60.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.320.250.250.320.25
Phase thickness (mum) 0.250.250.250.425 
Tstart (C) 65.35.35.45.40.
Tend (C) 250.195.195.300.200.
Heat rate (K/min) 2.2.2.3.3.
Initial hold (min) 10. 5.3.5.
Final hold (min) 60.90.90.20. 
I 1425.1440.1439.1431.1392.
ReferencePino, Marbot, et al., 2001Chung, 2000Chung, 1999Mondello, Dugo, et al., 1995Sumitani, Suekane, et al., 1994
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxDB-WaxDB-WaxCarbowax 20M
Column length (m) 60.60.60.30.60.
Carrier gas He HeHe 
Substrate      
Column diameter (mm) 0.250.250.250.250.32
Phase thickness (mum)  0.25  0.25
Tstart (C) 40.50.35.40.40.
Tend (C) 200.230.180.200.230.
Heat rate (K/min) 3.2.3.2. 
Initial hold (min) 5.4.5.10. 
Final hold (min)  30.   
I 1466.1429.1440.1431.1429.
ReferenceSumitani, Suekane, et al., 1994Shiratsuchi, Shimoda, et al., 1993Stashenko, Macku, et al., 1992Umano, Hagi, et al., 1992Peppard and Ramus, 1988
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Carbowax 20MCarbowax 20MCarbowax 20MCarbowax 20MCarbowax 20M
Column length (m) 60.60.60.60.50.
Carrier gas     He
Substrate      
Column diameter (mm) 0.320.320.320.320.32
Phase thickness (mum) 0.250.250.250.25 
Tstart (C) 40.40.40.40.50.
Tend (C) 230.230.230.230.200.
Heat rate (K/min)     2.
Initial hold (min)     5.
Final hold (min)     40.
I 1432.1433.1434.1435.1419.
ReferencePeppard and Ramus, 1988Peppard and Ramus, 1988Peppard and Ramus, 1988Peppard and Ramus, 1988Chen, Kuo, et al., 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 (mum)    
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 1461.1430.1426.
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.

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]

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]

Cho, Choi, et al., 2006
Cho, I.H.; Choi, H.-K.; Kim, Y.-S., Difference in the volatile composition of pine-mushrooms (Tricholoma matsutake Sing.) according to their grades, J. Agric. Food Chem., 2006, 54, 13, 4820-4825, https://doi.org/10.1021/jf0601416 . [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]

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]

Pinto, Guedes, et al., 2006
Pinto, A.B.; Guedes, C.M.; Moreira, R.F.A.; de Maria, C.A.B., Volatile constituents from headspace and aqueous solution of genipap (Genipa americana) fruit isolated by the solid-phase extraction method, Flavour Fragr. J., 2006, 21, 3, 488-491, https://doi.org/10.1002/ffj.1623 . [all data]

Bonvehí, 2005
Bonvehí, J.S., Investigation of aromatic compounds in roasted cocoa powder, Eur. Food Res. Technol., 2005, 221, 1-2, 19-29, https://doi.org/10.1007/s00217-005-1147-y . [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]

Pena, Barciela, et al., 2005
Pena, R.M.; Barciela, J.; Herrero, C.; Garcia-Martin, S., Optimization of solid-phase microextraction methods for GC-MS determination of terpenes in wine, J. Sci. Food Agric., 2005, 85, 7, 1227-1234, https://doi.org/10.1002/jsfa.2121 . [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]

Bonvehi and Coll, 2003
Bonvehi, J.S.; Coll, F.V., Flavour index and aroma profiles of fresh and processed honeys, J. Sci. Food Agric., 2003, 83, 4, 275-282, https://doi.org/10.1002/jsfa.1308 . [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]

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]

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]

Claudela, Dirningera, et al., 2002
Claudela, P.; Dirningera, N.; Etievant, P., Effects of water on gas chromatographic column efficiency measurements applied to on-column injections of volatile aroma compounds, J. Sep. Sci., 2002, 25, 5-6, 365-370, https://doi.org/10.1002/1615-9314(20020401)25:5/6<365::AID-JSSC365>3.0.CO;2-Y . [all data]

Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Vázquez, C., Characterization of volatile in Cosa Rican Guava [Psidium friedrichsthalianum (Berg) Niedenzu] fruit, J. Agric. Food Chem., 2002, 50, 21, 6023-6026, https://doi.org/10.1021/jf011456i . [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]

Pino, Marbot, et al., 2001
Pino, J.A.; Marbot, R.; Vázquez, C., Characterization of volatiles in strawberry guava (Psidium cattleianum Sabine) fruit, J. Agric. Food Chem., 2001, 49, 12, 5883-5887, https://doi.org/10.1021/jf010414r . [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]

Mondello, Dugo, et al., 1995
Mondello, L.; Dugo, P.; Basile, A.; Dugo, G., Interactive use of linear retention indices, on polar and apolar columns, with a MS-library for reliable identification of complex mixtures, J. Microcolumn Sep., 1995, 7, 6, 581-591, https://doi.org/10.1002/mcs.1220070605 . [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]

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]

Stashenko, Macku, et al., 1992
Stashenko, H.; Macku, C.; Shibamato, T., Monitoring volatile chemicals formed from must during yeast fermentation, J. Agric. Food Chem., 1992, 40, 11, 2257-2259, https://doi.org/10.1021/jf00023a040 . [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]

Peppard and Ramus, 1988
Peppard, T.L.; Ramus, S.A., Use of Kovats' gas chromatographic retention indices in beer flavor studies, Am. Soc. Brew. Chem. Proc., 1988, 46, 2, 26-30. [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]

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