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Octanoic acid, 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-5MSSPB-5DB-5MSSPB-5HP-5
Column length (m) 30.30.30.60.30.
Carrier gas HeHeHe He
Substrate      
Column diameter (mm) 0.250.250.250.320.25
Phase thickness (mum) 0.250.250.251.0.25
Tstart (C) 40.50.40.40.50.
Tend (C) 200.220.200.230.250.
Heat rate (K/min) 4.20.4.3.4.
Initial hold (min) 1.2.1.2.4.
Final hold (min) 10.2.10.10.10.
I 1178.1197.1173.1198.1195.
ReferenceCho, Namgung, et al., 2008Balbontin, Gaete-Eastman, et al., 2007Cho I.H., Lee S.M., et al., 2007Engel and Ratel, 2007Quijano, Salamanca, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-5MSCP Sil 5 CB5 % Phenyl methyl siloxaneDB-5
Column length (m) 30.30.25.30.30.
Carrier gas  HeHeHeN2
Substrate      
Column diameter (mm) 0.250.250.250.250.32
Phase thickness (mum) 1.0.250.41.1.
Tstart (C) 50.40.60.40.40.
Tend (C) 290.200.260.250.230.
Heat rate (K/min) 10.4.5.7.4.
Initial hold (min) 1.1. 10.2.
Final hold (min) 10.10.20.5.10.
I 1206.1173.1175.1213.1196.
ReferenceBylaite and Meyer, 2006Cho, Kim, et al., 2006Kafkas, Cabaroglu, et al., 2006Estevez, Ventanas, et al., 2005Fang and Qian, 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5HP-5HP-5HP-5MSZB-5
Column length (m) 30.30.30.30.0.
Carrier gas HeHeHeHe 
Substrate      
Column diameter (mm) 0.250.250.250.250.32
Phase thickness (mum) 0.250.250.250.250.5
Tstart (C) 50.50.50.60.40.
Tend (C) 250.250.250.250.265.
Heat rate (K/min) 4.4.4.4.7.
Initial hold (min) 5.5.5.2. 
Final hold (min) 15.15.15.20.5.
I 1192.1194.1204.1196.1204.
ReferenceMahattanatawee, Goodner, et al., 2005Mahattanatawee, Goodner, et al., 2005Mahattanatawee, Goodner, et al., 2005Pino, Mesa, et al., 2005Gocmen, Gurbuz, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP-Sil 8CB-MSSPB-5DB-1Ultra-2CP Sil 5 CB
Column length (m) 60.30.30.25.60.
Carrier gas  HeHeH2He
Substrate      
Column diameter (mm) 0.250.250.250.250.32
Phase thickness (mum) 0.250.250.250.330.25
Tstart (C) 40.60.40.40.60.
Tend (C) 280.250.250.280.280.
Heat rate (K/min) 4.4.3.3.3.
Initial hold (min) 2.2. 2.10.
Final hold (min) 5.20.20.10.60.
I 1196.1195.1173.1194.1181.
ReferenceHierro, de la Hoz, et al., 2004Pino, Marbot, et al., 2004Brat, Rega, et al., 2003Ceva-Antunes, Bizzo, et al., 2003Pino, Almora, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SPB-5SPB-5CP Sil 5 CBSPB-1CP Sil 5 CB
Column length (m) 30.30.50.30.50.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.320.320.32
Phase thickness (mum) 0.250.250.44.0.4
Tstart (C) 60.60.60.45.60.
Tend (C) 250.250.280.240.280.
Heat rate (K/min) 4.4.3.5.3.
Initial hold (min) 2.2.10.13.10.
Final hold (min) 20.20.60.5.60.
I 1195.1196.1181.1179.1181.
ReferencePino, Marbot, et al., 2003Pino, Marbot, et al., 2002Pino, Marbot, et al., 2002, 2Larráyoz, Addis, et al., 2001Pino and Marbot, 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP Sil 5 CBDB-1DB-5DB-5DB-5
Column length (m) 50.30.30.30.30.
Carrier gas HeH2H2H2H2
Substrate      
Column diameter (mm) 0.320.320.320.320.32
Phase thickness (mum) 0.40.251.1.1.
Tstart (C) 60.40.40.40.40.
Tend (C) 280.245.210.210.210.
Heat rate (K/min) 3.3.3.3.3.
Initial hold (min) 10.3.   
Final hold (min) 60.20.   
I 1181.1183.1196.1198.1200.
ReferencePino, Marbot, et al., 2001Brat, Brillouet, et al., 2000Moio, Piombino, et al., 2000Moio, Piombino, et al., 2000Moio, Piombino, et al., 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-5DB-1DB-5DB-5
Column length (m) 30.30.30.30.30.
Carrier gas H2H2HeH2H2
Substrate      
Column diameter (mm) 0.320.320.320.320.32
Phase thickness (mum) 1.1.5.1.1.
Tstart (C) 40.40.35.40.40.
Tend (C) 210.210.270.220.220.
Heat rate (K/min) 3.3.10.3.3.
Initial hold (min)   1.  
Final hold (min)      
I 1196.1196.1178.0001196.1197.
ReferenceMoio and Addeo, 1998Moio and Addeo, 1998Bartelt, 1997Moio L., Rillo L., et al., 1996Moio L., Rillo L., et al., 1996
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryPacked
Active phase DB-5SE-30DB-1SE-30SE-30
Column length (m) 30.22.60.25. 
Carrier gas HeN2 N2 
Substrate     Celite
Column diameter (mm) 0.250.300.320.33 
Phase thickness (mum)  1.0   
Tstart (C) 50.60.50.100.75.
Tend (C) 250.250.250.320.228.
Heat rate (K/min) 4.2.4.6. 
Initial hold (min)   0.1  
Final hold (min)      
I 1196.1179.1180.1190.1181.
ReferenceGómez, Ledbetter, et al., 1993de Frutos, Sanz, et al., 1991Flath, Light, et al., 1990Korhonen, 1985van den Dool and Kratz, 1963
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI 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]

Balbontin, Gaete-Eastman, et al., 2007
Balbontin, C.; Gaete-Eastman, C.; Vergara, M.; Herrera, R.; Moya-Leon, M.A., Treatment with 1-MCP and the role of ethylene in aroma development of mountain papaya fruit, Postharvest Biol. Technol., 2007, 43, 1, 67-77, https://doi.org/10.1016/j.postharvbio.2006.08.005 . [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]

Quijano, Salamanca, et al., 2007
Quijano, C.E.; Salamanca, G.; Pino, J.A., Aroma volatile constituents of Colombian varieties of mango (Mangifera indica L.), Flavour Fragr. J., 2007, 22, 5, 401-406, https://doi.org/10.1002/ffj.1812 . [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]

Kafkas, Cabaroglu, et al., 2006
Kafkas, E.; Cabaroglu, T.; Selli, S.; Bozdogan, A.; Kürkçüoglu, M.; Paydas, S.; Baser, K.H.C., Identification of volatile aroma compounds of strawberry wine using solid-phase microextraction techniques coupled with gas chromatography-mass spectrometry, Flavour Fragr. J., 2006, 21, 1, 68-71, https://doi.org/10.1002/ffj.1503 . [all data]

Estevez, Ventanas, et al., 2005
Estevez, M.; Ventanas, S.; Ramirez, R.; Cava, R., Influence of the Addition of Rosemary Essential Oil on the Volatiles Pattern of Porcine Frankfurters, J. Agric. Food Chem., 2005, 53, 21, 8317-8324, https://doi.org/10.1021/jf051025q . [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]

Gocmen, Gurbuz, et al., 2004
Gocmen, D.; Gurbuz, O.; Rouseff, R.L.; Smoot, J.M.; Dagdelen, A.F., Gas chromatographic-olfactometric characterization of aroma active compounds in sun-dried and vacuum-dried tarhana, Eur. Food Res. Technol., 2004, 218, 6, 573-578, https://doi.org/10.1007/s00217-004-0913-6 . [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]

Pino, Marbot, et al., 2004
Pino, J.A.; Marbot, R.; Rosado, A.; Vázquez, C., Volatile constituents of Malay rose apple [Syzygium malaccense (L.) Merr. Perry], Flavour Fragr. J., 2004, 19, 1, 32-35, https://doi.org/10.1002/ffj.1269 . [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]

Ceva-Antunes, Bizzo, et al., 2003
Ceva-Antunes, P.M.N.; Bizzo, H.R.; Alves, S.M.; Antunes, O.A.C., Analysis of volatile compounds of taperebá (Spondias mombin L.) and Cajá (Spondias mombin L.) by simultaneous distillation and extraction (SDE) and solid phase microextraction (SPME), J. Agric. Food Chem., 2003, 51, 5, 1387-1392, https://doi.org/10.1021/jf025873m . [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]

Pino, Marbot, et al., 2003
Pino, J.; Marbot, R.; Rosado, A.; Vázquez, C., Volatile constituents of fruits of Garcinia dulcis Kurz. from Cuba, Flavour Fragr. J., 2003, 18, 4, 271-274, https://doi.org/10.1002/ffj.1187 . [all data]

Pino, Marbot, et al., 2002
Pino, J.; Marbot, R.; Rosado, A., Volatile constituents of star apple (Chrysophyllum cainito L.) from Cuba, Flavour Fragr. J., 2002, 17, 5, 401-403, https://doi.org/10.1002/ffj.1116 . [all data]

Pino, Marbot, et al., 2002, 2
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]

Larráyoz, Addis, et al., 2001
Larráyoz, P.; Addis, M.; Gauch, R.; Bosset, J.O., Comparison of dynamic headspace and simultaneous distillation extraction techniques used for the analysis of the volatile components in three European PDO ewes milk cheeses, Int. Dairy J., 2001, 11, 11-12, 911-926, https://doi.org/10.1016/S0958-6946(01)00144-3 . [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]

Brat, Brillouet, et al., 2000
Brat, P.; Brillouet, J.-M.; Reynes, M.; Cogat, P.-O.; Ollé, D., Free volatile components of passion fruit puree obtained by flash vacuum-expansion, J. Agric. Food Chem., 2000, 48, 12, 6210-6214, https://doi.org/10.1021/jf000645i . [all data]

Moio, Piombino, et al., 2000
Moio, L.; Piombino, P.; Addeo, F., Odour-impact compounds of Gorgonzola cheese, J. Dairy Res., 2000, 67, 2, 273-285, https://doi.org/10.1017/S0022029900004106 . [all data]

Moio and Addeo, 1998
Moio, L.; Addeo, F., Grana Padano cheese aroma, J. Dairy Res., 1998, 65, 2, 317-333, https://doi.org/10.1017/S0022029997002768 . [all data]

Bartelt, 1997
Bartelt, R.J., Calibration of a commercial solid-phase microextraction device for measuring headspace concentrations of organic volatiles, Anal. Chem., 1997, 69, 3, 364-372, https://doi.org/10.1021/ac960820n . [all data]

Moio L., Rillo L., et al., 1996
Moio L.; Rillo L.; Ledda A.; Addeo F., Odorous constituents of ovine milk in relationship to diet, J. Dairy Sci., 1996, 79, 8, 1322-1331, https://doi.org/10.3168/jds.S0022-0302(96)76488-3 . [all data]

Gómez, Ledbetter, et al., 1993
Gómez, E.; Ledbetter, C.A.; Hartsell, P.L., Volatile compounds in apricot, plum, and their interspecific hybrids, J. Agric. Food Chem., 1993, 41, 10, 1669-1676, https://doi.org/10.1021/jf00034a029 . [all data]

de Frutos, Sanz, et al., 1991
de Frutos, M.; Sanz, J.; Martinez-Castro, I., Characterization of artisanal cheeses by GC and GC/MS analysis of their medium volatility (SDE) fraction, J. Agric. Food Chem., 1991, 39, 3, 524-530, https://doi.org/10.1021/jf00003a019 . [all data]

Flath, Light, et al., 1990
Flath, R.A.; Light, D.M.; Jang, E.B.; Mon, T.R.; John, J.O., Headspace Examination of Volatile Emissions from Ripening Papaya (Carica papaya L., Solo Variety), J. Agric. Food Chem., 1990, 38, 4, 1060-1063, https://doi.org/10.1021/jf00094a032 . [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]

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, non-polar column, temperature ramp, References