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Octanoic acid, methyl 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 SPB-5SPB-5HP-5MSSPB-5SPB-5
Column length (m) 30.60.30.30.30.
Carrier gas He HeHeHe
Substrate      
Column diameter (mm) 0.250.320.250.250.25
Phase thickness (mum) 0.251.0.250.250.25
Tstart (C) 50.40.60.60.60.
Tend (C) 220.230.250.250.250.
Heat rate (K/min) 20.3.4.4.4.
Initial hold (min) 2.2.2.2.2.
Final hold (min) 2.10.20.20.20.
I 1125.1122.1126.1126.1126.
ReferenceBalbontin, Gaete-Eastman, et al., 2007Engel and Ratel, 2007Pino, Mesa, et al., 2005Píno, Marbot, et al., 2004Pino, Marbot, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP Sil 5 CBSPB-5CP Sil 8 CBSPB-5CP Sil 5 CB
Column length (m) 60.30.60.30.50.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.320.250.250.250.32
Phase thickness (mum) 0.250.250.250.250.4
Tstart (C) 60.60.40.60.60.
Tend (C) 280.250.280.250.280.
Heat rate (K/min) 3.4.4.4.3.
Initial hold (min) 10.2.2.2.10.
Final hold (min) 60.20. 20.60.
I 1108.1124.1132.1126.1109.
ReferencePino, Almora, et al., 2003Pino, Marbot, et al., 2003Elmore, Campo, et al., 2002Pino, Marbot, et al., 2002Pino, Marbot, et al., 2002, 2
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP Sil 5 CBDB-5DB-5OV-1OV-1
Column length (m) 50.30.30.20.20.
Carrier gas HeH2H2HeHe
Substrate      
Column diameter (mm) 0.320.320.320.320.32
Phase thickness (mum) 0.41.1.0.30.3
Tstart (C) 60.40.40.45.45.
Tend (C) 280.210.210.220.220.
Heat rate (K/min) 3.3.3.10.10.
Initial hold (min) 10.  5.5.
Final hold (min) 60.  10.10.
I 1109.1138.1138.1122.1113.
ReferencePino, Marbot, et al., 2001Moio, Piombino, et al., 2000Moio, Piombino, et al., 2000Valero, Sanz, et al., 1999Valero, Sanz, et al., 1999
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-5DB-5OV-101SE-30
Column length (m) 30.30.30.50.25.
Carrier gas H2H2H2HeHe
Substrate      
Column diameter (mm) 0.320.320.320.250.32
Phase thickness (mum) 1.1.1.0.251.
Tstart (C) 40.40.40.140.140.
Tend (C) 210.210.210.  
Heat rate (K/min) 3.3.3.8.8.
Initial hold (min)      
Final hold (min)      
I 1138.1138.1138.1109.81109.7
ReferenceMoio and Addeo, 1998Moio and Addeo, 1998Moio and Addeo, 1998Golovnya, Syomina, et al., 1997Grigor'eva, Golovnya, et al., 1997
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1SE-30DB-1DB-1BP-1
Column length (m) 30.22.50.60.12.
Carrier gas  N2He H2
Substrate      
Column diameter (mm) 0.20.300.320.32 
Phase thickness (mum) 0.251.01.05  
Tstart (C) 50.60.40.50.40.
Tend (C) 300.250.260.250.240.
Heat rate (K/min) 5.2.2.4.4.
Initial hold (min) 2.  0.12.
Final hold (min) 5. 40. 75.
I 1106.1107.1116.1107.1106.
ReferenceJohnson, Urso, et al., 1997de Frutos, Sanz, et al., 1991Wu, Kuo, et al., 1991Flath, Light, et al., 1990Tan, Wilkins, et al., 1989
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryPacked
Active phase OV-1DB-5SE-30
Column length (m) 25.30. 
Carrier gas HeHe 
Substrate   Celite
Column diameter (mm) 0.320.26 
Phase thickness (mum)  0.25 
Tstart (C) 40.50.75.
Tend (C) 280.300.228.
Heat rate (K/min) 8.6. 
Initial hold (min)  4. 
Final hold (min) 10.20. 
I 1107.1125.1109.
ReferenceTan, Holland, et al., 1988Rostad and Pereira, 1986van den Dool and Kratz, 1963
Comment 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.

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]

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]

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]

Píno, Marbot, et al., 2004
Píno, J.A.; Marbot, R.; Vázquez, C., Volatile components of the fruits of Vangueria madagascariensis J. F. Gmel. from Cuba, J. Essent. Oil Res., 2004, 16, 4, 302-304, https://doi.org/10.1080/10412905.2004.9698727 . [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]

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]

Elmore, Campo, et al., 2002
Elmore, J.S.; Campo, M.M.; Enser, M.; Mottram, D.S., Effect of lipid composition on meat-like model systems containing cysteine, ribose, and polyunsaturated fatty acids, J. Agric. Food Chem., 2002, 50, 5, 1126-1132, https://doi.org/10.1021/jf0108718 . [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]

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]

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]

Valero, Sanz, et al., 1999
Valero, E.; Sanz, J.; Martinez-Castro, I., Volatile components in microwave- and conventionally-heated milk, Food Chem., 1999, 66, 3, 333-338, https://doi.org/10.1016/S0308-8146(99)00069-2 . [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]

Golovnya, Syomina, et al., 1997
Golovnya, R.V.; Syomina, L.A.; Samusenko, A.L., Nonlinear variation of sorption parameters of n-alkane homologs in temperature-programmed gas chromatography (TPGC) and new equation for calculation of retention indices, J. Hi. Res. Chromatogr., 1997, 20, 11, 611-614, https://doi.org/10.1002/jhrc.1240201108 . [all data]

Grigor'eva, Golovnya, et al., 1997
Grigor'eva, D.N.; Golovnya, R.V.; Syomina, L.A., An equation for the calculation of retention indices in temperature-programmed gas chromatography with allowance for the nonlinear variation of the retention parameters of n-alkanes, Russ. Chem. Bull. (Engl. Transl.), 1997, 46, 2, 309-313, https://doi.org/10.1007/BF02494369 . [all data]

Johnson, Urso, et al., 1997
Johnson, C.I.; Urso, A.; Geleta, L., Broad spectrum analysis of municipal and industrial effluents discharged into the Peace, Athabasca and Slave river basins: characterization of effluent samples, 1994 - Volume 1 of 2, Northern River Basins Study Project Report No. 121, Norther River Basins Study, Edmonton, Alberta, 1997, 27. [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]

Wu, Kuo, et al., 1991
Wu, P.; Kuo, M.-C.; Hartman, T.G.; Rosen, R.T.; Ho, C.-T., Free and glycosidically bound aroma compounds in pineapple (Ananas comosus L. Merr.), J. Agric. Food Chem., 1991, 39, 1, 170-172, https://doi.org/10.1021/jf00001a033 . [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]

Tan, Wilkins, et al., 1989
Tan, S.T.; Wilkins, A.L.; Holland, P.T.; McGhie, T.K., Extractives from New Zealand unifloral honeys. 2. Degraded carotenoids and other substances from heather honey, J. Agric. Food Chem., 1989, 37, 5, 1217-1221, https://doi.org/10.1021/jf00089a004 . [all data]

Tan, Holland, et al., 1988
Tan, S.-T.; Holland, P.T.; Wilkins, A.L.; Molan, P.C., Extractives from New Zealand honeys. 1. White clovers, manuka, and kanuka unifloral honeys, J. Agric. Food Chem., 1988, 36, 3, 453-460, https://doi.org/10.1021/jf00081a012 . [all data]

Rostad and Pereira, 1986
Rostad, C.E.; Pereira, W.E., Kovats and Lee retention indices determined by gas chromatography/mass spectrometry for organic compounds of environmental interest, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 6, 328-334, https://doi.org/10.1002/jhrc.1240090603 . [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