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Octanoic acid, methyl 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-WaxCP-Wax 52CBLM-120InnowaxZB-Wax
Column length (m) 60.60.50.30.30.
Carrier gas HeHe HeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (mum) 0.250.250.50.250.15
Tstart (C) 40.40.50.40.35.
Tend (C) 265.250.240.200.220.
Heat rate (K/min) 7.4.3.5.1.8
Initial hold (min)    5.10.
Final hold (min) 5. 30.2.10.
I 1399.1393.1402.1386.1386.
ReferenceGurbuz O., Rouseff J.M., et al., 2006Kourkoutas, Elmore, et al., 2006Pinto, Guedes, et al., 2006Pena, Barciela, et al., 2005Ledauphin, Saint-Clair, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxAT-WaxAT-WaxAT-Wax
Column length (m) 30.30.60.60.60.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.320.320.32
Phase thickness (mum) 0.250.250.250.250.25
Tstart (C) 40.40.65.65.65.
Tend (C) 240.240.250.250.250.
Heat rate (K/min) 6.6.2.2.2.
Initial hold (min) 10.10.10.10.10.
Final hold (min) 25.25.60.60.60.
I 1374.1378.1379.1381.1381.
ReferenceVarming, Andersen, et al., 2004Varming, Petersen, et al., 2004Pino, Almora, et al., 2003Pino, Marbot, et al., 2002Pino, Marbot, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxHP-WaxDB-WaxCarbowax 20MCarbowax 20M
Column length (m) 15.15.30.25.25.
Carrier gas HeHeHe  
Substrate      
Column diameter (mm) 0.530.530.250.310.31
Phase thickness (mum) 1.1.   
Tstart (C) 40.40.40.50.50.
Tend (C) 220.220.200.200.200.
Heat rate (K/min) 5.5.2.2.2.
Initial hold (min) 3.3.10.  
Final hold (min) 30.30.   
I 1394.1400.1386.1378.1380.
ReferencePeng, 2000Peng, 2000Umano, Hagi, et al., 1992Suárez and Duque, 1991Suárez and Duque, 1991
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type Packed
Active phase Carbowax 20M
Column length (m)  
Carrier gas  
Substrate Celite 545
Column diameter (mm)  
Phase thickness (mum)  
Tstart (C) 75.
Tend (C) 228.
Heat rate (K/min) 4.6
Initial hold (min)  
Final hold (min)  
I 1379.
Referencevan den Dool and Kratz, 1963
Comment 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.

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]

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]

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]

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]

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., 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, 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]

Peng, 2000
Peng, C.T., Prediction of retention indices. V. Influence of electronic effects and column polarity on retention index, J. Chromatogr. A, 2000, 903, 1-2, 117-143, https://doi.org/10.1016/S0021-9673(00)00901-8 . [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]

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]

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