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Benzene, 1-methyl-3-(1-methylethyl)-

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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-5DB-55 % Phenyl methyl siloxaneHP-5MSHP-5
Column length (m) 60.60.25.20.30.
Carrier gas   He He
Substrate      
Column diameter (mm) 0.320.320.250.250.25
Phase thickness (mum) 1.1.0.250.250.25
Tstart (C) 40.40.60.60.60.
Tend (C) 230.260.280.240.250.
Heat rate (K/min) 3.4.3.5.10.
Initial hold (min) 2.2. 4.2.
Final hold (min) 10.10.20.15.10.
I 1029.1033.1026.1023.1033.
ReferenceEngel and Ratel, 2007Methven L., Tsoukka M., et al., 2007Djarri, Medjroubi, et al., 2006Kallio, Jussila, et al., 2006Zhao J.Y., Liu J.M., et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP Sil 5 CBRTX-1DB-5OV-101SPB-5
Column length (m) 25.60.30.80.60.
Carrier gas HeHeHeN2He
Substrate      
Column diameter (mm) 0.250.220.250.220.32
Phase thickness (mum) 0.40.251. 1.
Tstart (C) 80.60.50.30.40.
Tend (C) 270.230.200.130.200.
Heat rate (K/min) 10.2.2.51.3.
Initial hold (min)     5.
Final hold (min)  45.  2.
I 1013.1010.1026.91006.51028.
ReferenceZiegenbein, Hanssen, et al., 2006Cavalli, Tomi, et al., 2003Xu, van Stee, et al., 2003Yin, Liu, et al., 2001Verdier-Metz., Coulon, et al., 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase PONAPONAMethyl SiliconeDB-5Ultra-1
Column length (m) 50.50.25.30. 
Carrier gas   HeHe 
Substrate      
Column diameter (mm) 0.20.20.20.25 
Phase thickness (mum) 0.50.50.3  
Tstart (C) 35.35.40.50.-40.
Tend (C) 220.220.200.250.230.
Heat rate (K/min) 1.1.2.4.4.
Initial hold (min) 0.50.5   
Final hold (min) 8.8.   
I 1005.21005.91023.1026.1004.
ReferenceMartos, Saraullo, et al., 1997Martos, Saraullo, et al., 1997Píry, Príbela, et al., 1995Gómez, Ledbetter, et al., 1993Olson, Sinkevitch, et al., 1992
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Petrocol DHPetrocol DHPetrocol DHDB-5Ultra-1
Column length (m) 100.100.100.60.50.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.320.22
Phase thickness (mum) 0.50.50.51.0.33
Tstart (C) 30.30.30.40.-30.
Tend (C) 220.220.220.220.240.
Heat rate (K/min) 1.1.1.3.1.
Initial hold (min)      
Final hold (min)      
I 1007.41007.841008.1023.1003.40
ReferenceWhite, Douglas, et al., 1992White, Douglas, et al., 1992White, Hackett, et al., 1992Le Quere and Latrasse, 1990Haynes and Pitzer, 1985
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Ultra-1Ultra-1Ultra-2Ultra-2Ultra-2
Column length (m) 50.50.50.50.50.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.220.220.220.220.22
Phase thickness (mum) 0.330.330.330.330.33
Tstart (C) -30.-30.-30.-30.-30.
Tend (C) 240.240.240.240.240.
Heat rate (K/min) 2.3.1.2.3.
Initial hold (min)      
Final hold (min)      
I 1006.351008.121019.921023.111025.18
ReferenceHaynes and Pitzer, 1985Haynes and Pitzer, 1985Haynes and Pitzer, 1985Haynes and Pitzer, 1985Haynes and Pitzer, 1985
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type Capillary
Active phase OV-101
Column length (m) 108.
Carrier gas  
Substrate  
Column diameter (mm) 0.25
Phase thickness (mum) 0.2
Tstart (C) 35.
Tend (C) 200.
Heat rate (K/min) 1.
Initial hold (min)  
Final hold (min)  
I 1007.
ReferenceHayes and Pitzer, 1981
Comment 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.

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]

Methven L., Tsoukka M., et al., 2007
Methven L.; Tsoukka M.; Oruna-Concha M.J.; Parker J.K.; Mottram D.S., Influence of sulfur amino acids on the volatile and nonvolatile components of cooked salmon (Salmo salar), J. Agric. Food Chem., 2007, 55, 4, 1427-1436, https://doi.org/10.1021/jf0625611 . [all data]

Djarri, Medjroubi, et al., 2006
Djarri, L.; Medjroubi, K.; Akkal, S.; Elomri, A.; Seguin, E.; Vérité, P., Composition of the essential oil of aerial parts of an endemic species of the Apiaceae of Algeria, Daucus reboudii Coss., Flavour Fragr. J., 2006, 21, 4, 647-649, https://doi.org/10.1002/ffj.1636 . [all data]

Kallio, Jussila, et al., 2006
Kallio, M.; Jussila, M.; Rissanen, T.; Anttila, P.; Hartonen, K.; Reissell, A.; Vreuls, R.; Adahchour, M.; Hyotylainen, T., Comprehensive two-dimensional gas chromatography coupled to time-of-flight mass spectrometry in the identification of organic compounds in atmospheric aerosols from coniferous forest, J. Chromatogr. A, 2006, 1125, 2, 234-243, https://doi.org/10.1016/j.chroma.2006.05.050 . [all data]

Zhao J.Y., Liu J.M., et al., 2006
Zhao J.Y.; Liu J.M.; Zhang X.Y.; Liu Z.J.; Tsering T.; Zhong Y.; Nan P., Chemical composition of the volatiles of three wild Bergenia species from western China, Flavour Fragr. J., 2006, 21, 3, 431-434, https://doi.org/10.1002/ffj.1689 . [all data]

Ziegenbein, Hanssen, et al., 2006
Ziegenbein, F.C.; Hanssen, H.-P.; König, W.A., Chemical constituents of the essential oils of three wood-rotting fungi, Flavour Fragr. J., 2006, 21, 5, 813-816, https://doi.org/10.1002/ffj.1732 . [all data]

Cavalli, Tomi, et al., 2003
Cavalli, J.-F.; Tomi, F.; Bernardini, A.-F.; Casanova, J., Composition and chemical variability of the bark oil of Cedrelopsis grevei H. Baillon from Madagascar, Flavour Fragr. J., 2003, 18, 6, 532-538, https://doi.org/10.1002/ffj.1263 . [all data]

Xu, van Stee, et al., 2003
Xu, X.; van Stee, L.L.P.; Williams, J.; Beens, J.; Adahchour, M.; Vreuls, R.J.J.; Brinkman, U.A.Th.; Lelieveld, J., Comprehensive two-dimensional gas chromatography (GC×GC) measurements of volatile organic compounds in the atmosphere, Atmos. Chem. Phys., 2003, 3, 3, 665-682, https://doi.org/10.5194/acp-3-665-2003 . [all data]

Yin, Liu, et al., 2001
Yin, C.; Liu, W.; Li, Z.; Pan, Z.; Lin, T.; Zhang, M., Chemometrics to chemical modeling: structural coding in hydrocarbons and retention indices of gas chromatography, J. Sep. Sci., 2001, 24, 3, 213-220, https://doi.org/10.1002/1615-9314(20010301)24:3<213::AID-JSSC213>3.0.CO;2-4 . [all data]

Verdier-Metz., Coulon, et al., 1998
Verdier-Metz., I.; Coulon, J.-B.; PPradel, P.; Viallon, C.; Berdague, J.-L., Effect of forage conservation (hay or silage) and cow breed on the coagulation properties of milks and on the characteristics of ripened cheeses, J. Dairy Res., 1998, 65, 1, 9-21, https://doi.org/10.1017/S0022029997002616 . [all data]

Martos, Saraullo, et al., 1997
Martos, P.A.; Saraullo, A.; Pawliszyn, J., Estimation of air/coating distribution coefficients for solid phase microextraction using retention indexes from linear temperature-programmed capillary gas chromatography. Application to the sampling and analysis of total petroleum hydrocarbons in air, Anal. Chem., 1997, 69, 3, 402-408, https://doi.org/10.1021/ac960633p . [all data]

Píry, Príbela, et al., 1995
Píry, J.; Príbela, A.; Durcanská, J.; Farkas, P., Fractionation of volatiles from blackcurrant (Ribes nigrum L.) by different extractive methods, Food Chem., 1995, 54, 1, 73-77, https://doi.org/10.1016/0308-8146(95)92665-7 . [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]

Olson, Sinkevitch, et al., 1992
Olson, K.L.; Sinkevitch, R.M.; Sloane, T.M., Speciation and Quantitation of Hydrocarbons in Gasoline Engine Exhaust, J. Chromatogr. Sci., 1992, 30, 12, 500-508, https://doi.org/10.1093/chromsci/30.12.500 . [all data]

White, Douglas, et al., 1992
White, C.M.; Douglas, L.J.; Hackett, J.P.; Anderson, R.R., Characterization of synthetic gasoline from the chloromethane-zeolite reaction, Energy Fuels, 1992, 6, 1, 76-82, https://doi.org/10.1021/ef00031a012 . [all data]

White, Hackett, et al., 1992
White, C.M.; Hackett, J.; Anderson, R.R.; Kail, S.; Spock, P.S., Linear temperature programmed retention indices of gasoline range hydrocarbons and chlorinated hydrocarbons on cross-linked polydimethylsiloxane, J. Hi. Res. Chromatogr., 1992, 15, 2, 105-120, https://doi.org/10.1002/jhrc.1240150211 . [all data]

Le Quere and Latrasse, 1990
Le Quere, J.-L.; Latrasse, A., Composition of the Essential Oils of Blackcurrant Buds (Ribes nigrum L.), J. Agric. Food Chem., 1990, 38, 1, 3-10, https://doi.org/10.1021/jf00091a001 . [all data]

Haynes and Pitzer, 1985
Haynes, P.C., Jr.; Pitzer, E.W., Disengaging solutes in shale- and petroleum-derived jet fuels by altering GC programmed temperature rates, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1985, 8, 5, 230-242, https://doi.org/10.1002/jhrc.1240080504 . [all data]

Hayes and Pitzer, 1981
Hayes, P.C., Jr.; Pitzer, E.W., Kovats indices as a tool in characterizing hydrocarbon fuels in temperature programmed glass capillary gas chromatography. Part 1. Qualitative identification, Inhouse rpt. for Air Force Wright Aeronautical Labs., Air Force Wright Aeronautical Labs., Wright-Patterson AFB, Ohio, 1981, 75. [all data]


Notes

Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, References