p-Xylene

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Van Den Dool and Kratz RI, non-polar column, temperature ramp

Go To: Top, References, Notes

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-5SPB-5CP Sil 8 CBHP-5PONA
Column length (m) 60.60.50.25.50.
Carrier gas  He He 
Substrate      
Column diameter (mm) 0.320.320.320.20.2
Phase thickness (μm) 1.1. 1.0.5
Tstart (C) 40.40.60.40.50.
Tend (C) 260.230.220.280. 
Heat rate (K/min) 4.3.4.5.2.
Initial hold (min) 2.5.5.  
Final hold (min) 10.5.30.5. 
I 877.874.864.878.862.
ReferenceMethven L., Tsoukka M., et al., 2007Deport, Ratel, et al., 2006Mahadevan and Farmer, 2006Solina, Baumgartner, et al., 2005Vendeuvre, Bertoncini, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SPB-5HP-1Petrocol DHDB-5CP Sil 5 CB
Column length (m) 30.50.50.30.60.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.20.250.250.32
Phase thickness (μm) 0.250.330.50.250.25
Tstart (C) 60.60.35.60.60.
Tend (C) 250.250.200.240.280.
Heat rate (K/min) 4.2.3.3.3.
Initial hold (min) 2.5.10. 10.
Final hold (min) 20.20.10. 60.
I 884.855.860.4872.847.
ReferencePino, Marbot, et al., 2004Cavalli, Fernandez, et al., 2003Censullo, Jones, et al., 2003Flamini, Luigi Cioni, et al., 2003Pino, Almora, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SPB-5DB-5DB-5DB-5DB-1
Column length (m) 30.30.30.30.30.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 60.40.40.40.40.
Tend (C) 250.310.310.310.325.
Heat rate (K/min) 4.2.4.6.3.
Initial hold (min) 2.    
Final hold (min) 20.    
I 884.861.7864.4866.5849.3
ReferencePino, Marbot, et al., 2003Song, Lai, et al., 2003Song, Lai, et al., 2003Song, Lai, et al., 2003Sun and Stremple, 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5CP Sil 8 CBSPB-5HP-5CP Sil 5 CB
Column length (m) 30.60.30.30.50.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.32
Phase thickness (μm) 1.0.250.250.250.4
Tstart (C) 50.40.60.40.60.
Tend (C) 200.250.250.180.280.
Heat rate (K/min) 2.54.4.3.3.
Initial hold (min)  8.2. 10.
Final hold (min)  10.20. 60.
I 877.8869.884.866.852.
ReferenceXu, van Stee, et al., 2003Oruna-Concha, Ames, et al., 2002Pino, Marbot, et al., 2002Isidorov, Krajewska, et al., 2001Pino, Marbot, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase OV-101CP Sil 8 CBSPB-5PONAPONA
Column length (m) 80.50.60.50.50.
Carrier gas N2 He  
Substrate      
Column diameter (mm) 0.220.320.320.20.2
Phase thickness (μm)   1.0.50.5
Tstart (C) 30.60.40.35.35.
Tend (C) 130.220.200.220.220.
Heat rate (K/min) 1.4.3.1.1.
Initial hold (min)  5.5.0.50.5
Final hold (min)  30.2.8.8.
I 856.3865.873.845.7851.3
ReferenceYin, Liu, et al., 2001Chevance and Farmer, 1999Verdier-Metz., Coulon, et al., 1998Martos, Saraullo, et al., 1997Martos, Saraullo, et al., 1997
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase OV-1DB-1DB-5DB-5DB-5
Column length (m)  30.60.30.30.
Carrier gas    HeHe
Substrate      
Column diameter (mm)  0.250.330.250.25
Phase thickness (μm)  1.0.250.250.25
Tstart (C) 35.-50.-50.40.40.
Tend (C) 300.180.180.310.310.
Heat rate (K/min) 8.6.6.2.4.
Initial hold (min)      
Final hold (min)      
I 855.5855.4869.3861.7864.4
ReferenceGautzsch and Zinn, 1996Helmig, Pollock, et al., 1996Helmig, Pollock, et al., 1996Lai and Song, 1995Lai and Song, 1995
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5Petrocol DHPetrocol DHDB-5Ultra-1
Column length (m) 30.100.100.30. 
Carrier gas HeHeHeHe 
Substrate      
Column diameter (mm) 0.250.250.250.25 
Phase thickness (μm) 0.250.50.5  
Tstart (C) 40.30.30.50.-40.
Tend (C) 310.220.220.250.230.
Heat rate (K/min) 6.1.1.4.4.
Initial hold (min)      
Final hold (min)      
I 866.5853.96854.41865.855.
ReferenceLai and Song, 1995Subramaniam, Bochniak, et al., 1994Subramaniam, Bochniak, et al., 1994Gómez, 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) 100.100.100.15.50.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.530.2
Phase thickness (μm) 0.50.50.51.50.33
Tstart (C) 30.30.30.40.0.
Tend (C) 220.220.220.90.240.
Heat rate (K/min) 1.1.1.4.2.
Initial hold (min)      
Final hold (min)      
I 854.75854.85855.863.855.12
ReferenceWhite, Douglas, et al., 1992White, Douglas, et al., 1992White, Hackett, et al., 1992Morinaga, Hara, et al., 1990Steward and Pitzer, 1988
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-1HP-1HP-1OV-101OV-101
Column length (m) 25.25.25.26.26.
Carrier gas N2N2N2  
Substrate      
Column diameter (mm) 0.20.20.20.260.26
Phase thickness (μm)    0.30.3
Tstart (C) 30.30.30.100.60.
Tend (C)    240.240.
Heat rate (K/min) 10.2.5.2.2.
Initial hold (min)   5.  
Final hold (min)      
I 859.7856.854.3861.8853.7
ReferenceBangjie, Xijian, et al., 1987Bangjie, Xijian, et al., 1987Bangjie, Xijian, et al., 1987Wang and Sun, 1987Wang and Sun, 1987
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase OV-101OV-101OV-101OV-101OV-101
Column length (m) 26.21.521.526.524.
Carrier gas      
Substrate      
Column diameter (mm) 0.260.270.270.250.26
Phase thickness (μm) 0.32.0.140.140.5
Tstart (C) 60.60.60.70.80.
Tend (C) 240.240.240.240.240.
Heat rate (K/min) 8.6.6.9.6.
Initial hold (min)    4.08 
Final hold (min)      
I 859.8864.7855.9860.8866.94
ReferenceWang and Sun, 1987Wang and Sun, 1987Wang and Sun, 1987Wang and Sun, 1987, 2Wang, Zhong, et al., 1987
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase OV-1Ultra-1Ultra-1Ultra-1Ultra-2
Column length (m) 50.50.50.50.50.
Carrier gas H2HeHeHeHe
Substrate      
Column diameter (mm) 0.20.220.220.220.22
Phase thickness (μm)  0.330.330.330.33
Tstart (C) 50.-30.-30.-30.-30.
Tend (C) 200.240.240.240.240.
Heat rate (K/min) 2.1.2.3.1.
Initial hold (min)      
Final hold (min) 55.    
I 842.851.35854.04855.80865.82
ReferenceWu and Liou, 1986Haynes 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 CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Ultra-2Ultra-2OV-101OV-101OV-101
Column length (m) 50.50.50.50.50.
Carrier gas HeHe   
Substrate      
Column diameter (mm) 0.220.220.270.270.27
Phase thickness (μm) 0.330.33   
Tstart (C) -30.-30.110.125.80.
Tend (C) 240.240.   
Heat rate (K/min) 2.3.2.2.2.
Initial hold (min)      
Final hold (min)      
I 868.78870.79867.871.862.
ReferenceHaynes and Pitzer, 1985Haynes and Pitzer, 1985Wang and Sun, 1985Wang and Sun, 1985Wang and Sun, 1985
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillary
Active phase OV-101OV-101OV-101OV-101
Column length (m) 50.50.50.108.
Carrier gas     
Substrate     
Column diameter (mm) 0.270.270.270.25
Phase thickness (μm)    0.2
Tstart (C) 80.80.95.35.
Tend (C)    200.
Heat rate (K/min) 3.4.2.1.
Initial hold (min)     
Final hold (min)     
I 863.865.864.853.
ReferenceWang and Sun, 1985Wang and Sun, 1985Wang and Sun, 1985Hayes and Pitzer, 1981
Comment 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.

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]

Deport, Ratel, et al., 2006
Deport, C.; Ratel, J.; Berdagué, J.-L.; Engel, E., Comprehensive combinatory standard correction: A calibration method for handling instrumental drifts of gas chromatography-mass spectrometry systems, J. Chromatogr. A, 2006, 1116, 1-2, 248-258, https://doi.org/10.1016/j.chroma.2006.03.092 . [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]

Solina, Baumgartner, et al., 2005
Solina, M.; Baumgartner, P.; Johnson, R.L.; Whitfield, F.B., Volatile aroma components of soy protein isolate and acid-hydrolysed vegetable protein, Food Chem., 2005, 90, 4, 861-873, https://doi.org/10.1016/j.foodchem.2004.06.005 . [all data]

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Pino, Marbot, et al., 2004
Pino, J.A.; Marbot, R.; Vazquez, C., Volatile components of tamarind (Tamarindus indica L.) grown in Cuba, J. Essent. Oil Res., 2004, 16, 4, 318-320, https://doi.org/10.1080/10412905.2004.9698731 . [all data]

Cavalli, Fernandez, et al., 2003
Cavalli, J.-F.; Fernandez, X.; Lizzani-Cuvelier, L.; Loiseau, A.-M., Comparison of static headspace, headspace solid phase microextraction, headspace sorptive extraction, and direct thermal desorption techniques on chemical composition of French olive oils, J. Agric. Food Chem., 2003, 51, 26, 7709-7716, https://doi.org/10.1021/jf034834n . [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]

Pino, Marbot, et al., 2003
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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
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Xu, van Stee, et al., 2003
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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.; 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]

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, 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]

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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]

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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]

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White, Hackett, et al., 1992
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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]

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Wang, T.; Sun, Y., On the influence of the solute sample size on temperature-programmed retention indices, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1987, 10, 11, 603-606, https://doi.org/10.1002/jhrc.1240101105 . [all data]

Wang and Sun, 1987, 2
Wang, T.; Sun, Y., Reproducibility of Temperature-Programmed Retention Indices on Several OV-101 Columns, J. Chromatogr., 1987, 407, 79-86, https://doi.org/10.1016/S0021-9673(01)92606-8 . [all data]

Wang, Zhong, et al., 1987
Wang, T.; Zhong, B.; Chen, M.; Sun, Y., Definitions and Methods of Calculation of the Temperature-Programmed Retention Index, ITP. III. A Simplified Calculation Method Based on the Extended Kovats Definition, J. Chromatogr., 1987, 390, 2, 275-283, https://doi.org/10.1016/S0021-9673(01)94381-X . [all data]

Wu and Liou, 1986
Wu, C.-M.; Liou, S.-E., Effect of tissue disruption of volatile constituents of bell peppers, J. Agric. Food Chem., 1986, 34, 4, 770-772, https://doi.org/10.1021/jf00070a044 . [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]

Wang and Sun, 1985
Wang, T.; Sun, Y., Correlation of Retention Indices obtained with Two Temperature Programmes, J. Chromatogr., 1985, 330, 167-171, https://doi.org/10.1016/S0021-9673(01)81973-7 . [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