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Benzene, 1,3-dimethyl-

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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-5DB-PetroDB-PetroCP Sil 8 CB
Column length (m) 60.60.50.50.50.
Carrier gas      
Substrate      
Column diameter (mm) 0.320.320.20.20.32
Phase thickness (mum) 1.1.0.50.5 
Tstart (C) 40.40.50.50.60.
Tend (C) 230.260.270.270.220.
Heat rate (K/min) 3.4.2.2.4.
Initial hold (min) 2.2.  5.
Final hold (min) 10.10.  30.
I 874.875.853.2853.2863.
ReferenceEngel and Ratel, 2007Methven L., Tsoukka M., et al., 2007Pang T., Zhu S., et al., 2007Pang T., Zhu S., et al., 2007Mahadevan and Farmer, 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP-Sil 8CB-MSPetrocol DHDB-5CP Sil 5 CBDB-5
Column length (m) 0.50.30.60.30.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.320.25
Phase thickness (mum) 0.250.50.250.250.25
Tstart (C) 40.35.60.60.40.
Tend (C) 280.200.240.280.310.
Heat rate (K/min) 4.3.3.3.2.
Initial hold (min) 2.10. 10. 
Final hold (min) 5.10. 60. 
I 871.859.4898.838.861.7
ReferenceElmore, Cooper, et al., 2005Censullo, Jones, et al., 2003Flamini, Luigi Cioni, et al., 2003Pino, Almora, et al., 2003Song, Lai, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-5DB-1DB-5CP Sil 8 CB
Column length (m) 30.30.30.30.60.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (mum) 0.250.250.251.0.25
Tstart (C) 40.40.40.50.40.
Tend (C) 310.310.325.200.250.
Heat rate (K/min) 4.6.3.2.54.
Initial hold (min)     8.
Final hold (min)     10.
I 864.4866.5848.2877.8871.
ReferenceSong, Lai, et al., 2003Song, Lai, et al., 2003Sun and Stremple, 2003Xu, van Stee, et al., 2003Oruna-Concha, Ames, et al., 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP Sil 5 CBHP-5CP Sil 5 CBCP Sil 5 CBOV-101
Column length (m) 50.30.50.50.80.
Carrier gas HeHeHeHeN2
Substrate      
Column diameter (mm) 0.320.250.320.320.22
Phase thickness (mum) 0.40.250.40.4 
Tstart (C) 60.40.60.60.30.
Tend (C) 280.180.280.280.130.
Heat rate (K/min) 3.3.3.3.1.
Initial hold (min) 10. 10.10. 
Final hold (min) 60. 60.60. 
I 849.868.847.847.855.5
ReferencePino, Marbot, et al., 2002Isidorov, Krajewska, et al., 2001Pino and Marbot, 2001Pino, Marbot, et al., 2001Yin, Liu, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-54SE-54CP Sil 8 CBSPB-5PONA
Column length (m) 25.25.50.60.50.
Carrier gas    He 
Substrate      
Column diameter (mm) 0.310.310.320.320.2
Phase thickness (mum)    1.0.5
Tstart (C) 35.35.60.40.35.
Tend (C) 230.230.220.200.220.
Heat rate (K/min) 4.4.4.3.1.
Initial hold (min) 3.3.5.5.0.5
Final hold (min) 10.10.30.2.8.
I 890.21892.69862.865.844.6
ReferenceYin, Xiu, et al., 2001Yin, Xiu, et al., 2001Chevance and Farmer, 1999Verdier-Metz., Coulon, et al., 1998Martos, Saraullo, et al., 1997
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase PONAOV-1DB-1DB-5DB-5
Column length (m) 50. 30.60.30.
Carrier gas     He
Substrate      
Column diameter (mm) 0.2 0.250.330.25
Phase thickness (mum) 0.5 1.0.250.25
Tstart (C) 35.35.-50.-50.40.
Tend (C) 220.300.180.180.310.
Heat rate (K/min) 1.8.6.6.2.
Initial hold (min) 0.5    
Final hold (min) 8.    
I 850.2853.8855.4869.3861.7
ReferenceMartos, Saraullo, et al., 1997Gautzsch and Zinn, 1996Helmig, Pollock, et al., 1996Helmig, Pollock, et al., 1996Lai and Song, 1995
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-5Petrocol DHPetrocol DHUltra-1
Column length (m) 30.30.100.100. 
Carrier gas HeHeHeHe 
Substrate      
Column diameter (mm) 0.250.250.250.25 
Phase thickness (mum) 0.250.250.50.5 
Tstart (C) 40.40.30.30.-40.
Tend (C) 310.310.220.220.230.
Heat rate (K/min) 4.6.1.1.4.
Initial hold (min)      
Final hold (min)      
I 864.4866.5852.91853.44854.
ReferenceLai and Song, 1995Lai and Song, 1995Subramaniam, Bochniak, et al., 1994Subramaniam, Bochniak, et al., 1994Olson, Sinkevitch, et al., 1992
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Petrocol DHPetrocol DHPetrocol DHDB-5OV-101
Column length (m) 100.100.100.15.50.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.530.25
Phase thickness (mum) 0.50.50.51.5 
Tstart (C) 30.30.30.40.70.
Tend (C) 220.220.220.90. 
Heat rate (K/min) 1.1.1.4.8.
Initial hold (min)      
Final hold (min)      
I 853.38853.85853.863.861.
ReferenceWhite, Douglas, et al., 1992White, Douglas, et al., 1992White, Hackett, et al., 1992Morinaga, Hara, et al., 1990Golovnya, Samusenko, et al., 1988
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Ultra-1Ultra-1Ultra-1Ultra-1Ultra-2
Column length (m) 50.50.50.50.50.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.20.220.220.220.22
Phase thickness (mum) 0.330.330.330.330.33
Tstart (C) 0.-30.-30.-30.-30.
Tend (C) 240.240.240.240.240.
Heat rate (K/min) 2.1.2.3.1.
Initial hold (min)      
Final hold (min)      
I 853.96850.24852.98854.72865.16
ReferenceSteward and Pitzer, 1988Haynes 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 CapillaryCapillaryCapillary
Active phase Ultra-2Ultra-2OV-101
Column length (m) 50.50.108.
Carrier gas HeHe 
Substrate    
Column diameter (mm) 0.220.220.25
Phase thickness (mum) 0.330.330.2
Tstart (C) -30.-30.35.
Tend (C) 240.240.200.
Heat rate (K/min) 2.3.1.
Initial hold (min)    
Final hold (min)    
I 868.16870.12852.
ReferenceHaynes and Pitzer, 1985Haynes and Pitzer, 1985Hayes and Pitzer, 1981
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.

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]

Pang T., Zhu S., et al., 2007
Pang T.; Zhu S.; Lu X.; Xu G., Identification of unknown compounds on the basis of retention index data in comprehensive two-dimensional gas chromatography, J. Sep. Sci., 2007, 30, 6, 868-874, https://doi.org/10.1002/jssc.200600471 . [all data]

Mahadevan and Farmer, 2006
Mahadevan, K.; Farmer, L., Key Odor Impact Compounds in Three Yeast Extract Pastes, J. Agric. Food Chem., 2006, 54, 19, 7242-7250, https://doi.org/10.1021/jf061102x . [all data]

Elmore, Cooper, et al., 2005
Elmore, J.S.; Cooper, S.L.; Enser, M.; Mottram, D.S.; Sinclair, L.A.; Wilkinson, R.G.; Wood, J.D., Dietary manipulation of fatty acid composition in lamb meat and its effect on the volatile aroma compounds of grilled lamb, Meat Sci., 2005, 69, 2, 233-242, https://doi.org/10.1016/j.meatsci.2004.07.002 . [all data]

Censullo, Jones, et al., 2003
Censullo, A.C.; Jones, D.R.; Wills, M.T., Speciation of the volatile organic compounds (VOCs) in solventborne aerosol coatings by solid phase microextraction-gas chromatography, J. Coat. Technol., 2003, 75, 936, 47-53, https://doi.org/10.1007/BF02697922 . [all data]

Flamini, Luigi Cioni, et al., 2003
Flamini, G.; Luigi Cioni, P.; Morelli, I., Volatiles from leaves, fruits, and virgin oil from Olea europaea Cv. Olivastra Seggianese from Italy, J. Agric. Food Chem., 2003, 51, 5, 1382-1386, https://doi.org/10.1021/jf020854y . [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]

Song, Lai, et al., 2003
Song, C.; Lai, W.-C.; Madhusudan Reddy, K.; Wei, B., Chapter 7. Temperature-programmed retention indices for GC and GC-MS of hydrocarbon fuels and simulated distillation GC of heavy oils in Analytical advances for hydrocarbon research, Hsu,C.S., ed(s)., Kluwer Academic/Plenum Publishers, New York, 2003, 147-193. [all data]

Sun and Stremple, 2003
Sun, G.; Stremple, P., Retention index characterization of flavor, fragrance, and many other compounds on DB-1 and DB-XLB, 2003, retrieved from http://www.chem.agilent.com/cag/cabu/pdf/b-0279.pdf. [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]

Oruna-Concha, Ames, et al., 2002
Oruna-Concha, M.J.; Ames, J.M.; Bakker, J., Comparison of the volatile components of eight cultivars of potato after microwave baking, Lebensm. Wiss. Technol., 2002, 35, 1, 80-86, https://doi.org/10.1006/fstl.2001.0819 . [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]

Isidorov, Krajewska, et al., 2001
Isidorov, V.A.; Krajewska, U.; Dubis, E.N.; Jdanova, M.A., Partition coefficients of alkyl aromatic hydrocarbons and esters in a hexane-acetonitrile system, J. Chromatogr. A, 2001, 923, 1-2, 127-136, https://doi.org/10.1016/S0021-9673(01)00929-3 . [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]

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]

Yin, Xiu, et al., 2001
Yin, W.; Xiu, Z.; Aijin, H., Analysis of the volatile components in trogopterorum feces by capillary gas chromatography and gas chromatography/mass spectrometry, Fenxi Huaxue, 2001, 29, 2, 195-198. [all data]

Chevance and Farmer, 1999
Chevance, F.F.V.; Farmer, L.J., Identification of major volatile odor compounds in frankfurters, J. Agric. Food Chem., 1999, 47, 12, 5151-5160, https://doi.org/10.1021/jf990515d . [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]

Gautzsch and Zinn, 1996
Gautzsch, R.; Zinn, P., Use of incremental models to estimate the retention indexes of aromatic compounds, Chromatographia, 1996, 43, 3/4, 163-176, https://doi.org/10.1007/BF02292946 . [all data]

Helmig, Pollock, et al., 1996
Helmig, D.; Pollock, W.; Greenberg, J.; Zimmerman, P., Gas chromatography mass spectrometry analysis of volatile organic trace gases at Mauna Loa Observatory, Hawaii, J. Geophys. Res., 1996, 101, D9, 14697-14710, https://doi.org/10.1029/96JD00212 . [all data]

Lai and Song, 1995
Lai, W.-C.; Song, C., Temperature-programmed retention indices for g.c. and g.c.-m.s. analysis of coal- and petroleum-derived liquid fuels, Fuel, 1995, 74, 10, 1436-1451, https://doi.org/10.1016/0016-2361(95)00108-H . [all data]

Subramaniam, Bochniak, et al., 1994
Subramaniam, B.; Bochniak, D.; Snavely, K., Fischer-Tropsch synthesis in supercritical reaction media, Lawrence Department of Chemical and Petroleum Engineering (DOE/PC/92532--T7), United States Department of Energy, Pittsburgh, PA, 1994, 8, retrieved from http://www.NTIS.gov. [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]

Morinaga, Hara, et al., 1990
Morinaga, M.; Hara, K.; Kageura, M.; Heida, Y.; Takamoto, M.; Kashimura, S., A simple, rapid and simultaneous analysis of complex volatile hydrocarbon mixtures in blood using gas chromatography/mass spectrometry with a wide-bore capillary column, Z. Rechtsmed., 1990, 103, 8, 567-572, https://doi.org/10.1007/BF01261420 . [all data]

Golovnya, Samusenko, et al., 1988
Golovnya, R.V.; Samusenko, A.L.; Lyapin, V.A., Prediction of linear temperature programmed retention indices of methylpyridines in capillary gas chromatography, Zh. Anal. Khim., 1988, 63, 2, 311-317. [all data]

Steward and Pitzer, 1988
Steward, E.M.; Pitzer, E.W., Gas Chromatographic Analyses of Complex Hydrocarbon Mixtures Void of n-Paraffin Retention Index Markers Using Joint Mass Spectral and Retention Index Libraries, J. Chromatogr. Sci., 1988, 26, 5, 218-222, https://doi.org/10.1093/chromsci/26.5.218 . [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