p-Xylene

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Normal alkane 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 Polydimethyl siloxane: CP-Sil 5 CBHP-5 MSPetrocol DHDB-5VF-5 MS
Column length (m) 60.30.100.30.60.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.250.250.250.320.32
Phase thickness (μm) 1.00.250.500.250.25
Tstart (C) 45.35.20.40.30.
Tend (C) 210.300.220.250.260.
Heat rate (K/min) 3.63.15.8.2.
Initial hold (min) 1.455.15.2. 
Final hold (min) 2.7215.30.5.28.
I 862.865.858.868.867.
ReferenceBramston-Cook, 2013Kotowska, Zalikowski, et al., 2012Supelco, 2012Czerny, Brueckner, et al., 2011Leffingwell and Alford, 2011
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase VF-5 MSPONAHP-5VF-5MSSPB-5
Column length (m) 60.50.10.30.60.
Carrier gas HeliumNitrogenHelium  
Substrate      
Column diameter (mm) 0.320.200.100.250.32
Phase thickness (μm) 0.250.500.400.251.
Tstart (C) 30.35.40.40.40.
Tend (C) 260.200.280.250.230.
Heat rate (K/min) 2.2.20.7.3.
Initial hold (min)  15.1. 5.
Final hold (min) 28.10.1. 5.
I 872.861.899.856.874.
ReferenceLeffingwell and Alford, 2011Zhang, Ding, et al., 2009Mildner-Szkudlarz and Jelen, 2008Ghiasvand, Setkova, et al., 2007Vasta, Ratel, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SPB-5HP-1HP-1HP-1HP-1
Column length (m) 60.50.50.50.50.
Carrier gas  N2HeHeHe
Substrate      
Column diameter (mm) 0.320.20.20.20.2
Phase thickness (μm) 1.0.330.330.50.33
Tstart (C) 40.60.60.60.60.
Tend (C) 230.250.250.250.250.
Heat rate (K/min) 3.2.2.2.2.
Initial hold (min) 5. 4. 4.
Final hold (min) 5.20.30.120.30.
I 876.853.854.853.853.
ReferenceVasta, Ratel, et al., 2007Berlioz, Cordella, et al., 2006Castel, Fernandez, et al., 2006Castel, Fernandez, et al., 2006, 2Castel, Fernandez, et al., 2006, 2
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SPB-5HP-1DB-5DB-5SPB-5
Column length (m) 30.50.60.30.60.
Carrier gas HeN2HeH2Helium
Substrate      
Column diameter (mm) 0.250.20.250.250.32
Phase thickness (μm) 0.250.330.250.251.0
Tstart (C) 60.60.35.60.30.
Tend (C) 250.250.280.280.230.
Heat rate (K/min) 4.2.5.4.3.
Initial hold (min) 2. 2.10. 
Final hold (min) 20.20.4.40. 
I 884.856.870.884.868.
ReferencePino, Marbot, et al., 2005Cavalli, Fernandez, et al., 2004Dhanda, Pegg, et al., 2003Pino, Marbot, et al., 2003Sebastian, Viallon-Fernandez, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SPB-1SPB-1HP-5SPB-5SPB-5
Column length (m) 30.30.30.60.30.
Carrier gas HeHe HeHelium
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.25 0.250.25
Tstart (C) 40.40.50.50.60.
Tend (C) 200.200.200.240.250.
Heat rate (K/min) 3.3.3.5.4.
Initial hold (min) 10.10. 3.2.
Final hold (min)    10.20.
I 849.848.864.875.884.
ReferenceVichi, Castellote, et al., 2003Vichi, Pizzale, et al., 2003Isidorov and Jdanova, 2002Kim and Lee, 2002Pino, Marbot, et al., 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-5BP-1Methyl SiliconeHP-5
Column length (m) 30.30.50.60.25.
Carrier gas HeHeHe  
Substrate      
Column diameter (mm) 0.250.250.220.250.20
Phase thickness (μm) 0.250.250.750.250.33
Tstart (C) 60.60.50.40.50.
Tend (C) 240.240.200.220.180.
Heat rate (K/min) 3.3.5.5.5.
Initial hold (min)    10.3.
Final hold (min)      
I 872.883.864.857.41868.
ReferenceTellez, Khan, et al., 2002Tellez, Schrader, et al., 2001Health Safety Executive, 2000Baraldi, Rapparini, et al., 1999Jung, Wichmann, et al., 1999
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5OV-1OV-101DB-5HP-5
Column length (m) 30. 50.60.30.
Carrier gas   Helium He
Substrate      
Column diameter (mm) 0.32 0.200.320.25
Phase thickness (μm) 1. 0.501.0.25
Tstart (C) 40.50.30.40.35.
Tend (C) 200.160.100.200.300.
Heat rate (K/min) 3.2.1.3.10.
Initial hold (min) 5. 6.5.2.
Final hold (min)    2.10.
I 872.860.857.865.875.8
ReferenceMeynier, Novelli, et al., 1999Orav, Kailas, et al., 1999Orav, Kailas, et al., 1999, 2Kondjoyan, Viallon, et al., 1997Wang and Fingas, 1995
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5 MSDB-1DB-1DB-1OV-1
Column length (m) 30.30.30.60.50.
Carrier gas HeliumHeHeHeH2
Substrate      
Column diameter (mm) 0.250.250.250.320.32
Phase thickness (μm)  0.250.251.20.52
Tstart (C) 50.50.50.30.30.
Tend (C) 250.240.240.240. 
Heat rate (K/min) 4.5.5.3.1.
Initial hold (min)  3.3.10. 
Final hold (min)      
I 865.854.859.860.849.
ReferenceGomez and Ledbetter, 1994Shiota, 1993Shiota, 1993Ciccioli, Cecinato, et al., 1992Guan, Zheng, et al., 1992
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase OV-1CP Sil 5 CBOV-101OV-101DB-1
Column length (m) 50.25.50.54.60.
Carrier gas H2HeHeHelium 
Substrate      
Column diameter (mm) 0.320.320.320.260.32
Phase thickness (μm) 0.520.450.5  
Tstart (C) 35.0.50.50.50.
Tend (C)  320.250.240.230.
Heat rate (K/min) 2.3.4.5.4.
Initial hold (min)  5. 0. 
Final hold (min)  10. 0.10.
I 852.851.848.859.853.
ReferenceGuan, Zheng, et al., 1992Hartgers, Damste, et al., 1992Misharina, Golovnya, et al., 1991Zenkevich and Ventura, 1991Binder, Benson, et al., 1990
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1HP-1HP-1HP-1HP-1
Column length (m)  12.12.12.25.
Carrier gas      
Substrate      
Column diameter (mm)  0.20.20.20.32
Phase thickness (μm)  0.330.330.330.52
Tstart (C) 50.40.40.40.40.
Tend (C) 230.    
Heat rate (K/min) 4.16.4.8.8.
Initial hold (min)  0.3950.40.8010.8
Final hold (min) 10.    
I 853.853.8847.7854.855.1
ReferenceBinder, Turner, et al., 1990Yin and Sun, 1990Yin and Sun, 1990Yin and Sun, 1990Yin and Sun, 1990
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-1OV-101OV-101OV-101Squalane
Column length (m) 50.50.50.50.100.
Carrier gas  HeN2N2 
Substrate      
Column diameter (mm) 0.20.200.250.250.25
Phase thickness (μm) 0.11    
Tstart (C) 40.80.80.80. 
Tend (C)  190.200.200. 
Heat rate (K/min) 6.1.2.2.0.1
Initial hold (min) 3.194    
Final hold (min)      
I 854.9866.860.861.849.3
ReferenceYin and Sun, 1990Matisová, Kovacicová, et al., 1989Sugisawa, Yang, et al., 1989Sugisawa, Yang, et al., 1989Krupcik, Cellar, et al., 1986
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SqualaneSqualaneSqualaneSqualaneSqualane
Column length (m) 100.100.100.100.180.
Carrier gas      
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm)      
Tstart (C)     40.
Tend (C)      
Heat rate (K/min) 0.20.40.60.80.1
Initial hold (min)      
Final hold (min)      
I 851.5854.7857.1859.1848.
ReferenceKrupcik, Cellar, et al., 1986Krupcik, Cellar, et al., 1986Krupcik, Cellar, et al., 1986Krupcik, Cellar, et al., 1986Krupcik, Cellar, et al., 1986, 2
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SqualaneSqualaneSqualaneSqualaneDB-1
Column length (m) 180.180.180.180.50.
Carrier gas      
Substrate      
Column diameter (mm) 0.250.250.250.250.32
Phase thickness (μm)      
Tstart (C) 40.40.40.40.0.
Tend (C)     250.
Heat rate (K/min) 0.20.40.60.83.
Initial hold (min)      
Final hold (min)      
I 851.854.856.858.851.
ReferenceKrupcik, Cellar, et al., 1986, 2Krupcik, Cellar, et al., 1986, 2Krupcik, Cellar, et al., 1986, 2Krupcik, Cellar, et al., 1986, 2Habu, Flath, et al., 1985
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryPacked
Active phase OV-101SE-30Apiezon L
Column length (m) 50.50.2.
Carrier gas HeHe 
Substrate   Chromosorb G-AW-DMCS
Column diameter (mm) 0.310.5 
Phase thickness (μm)    
Tstart (C) 0.40.25.
Tend (C) 225.170. 
Heat rate (K/min) 3.3.10.
Initial hold (min) 1.3. 
Final hold (min)    
I 852.854.832.
Referencedel Rosario, de Lumen, et al., 1984Heydanek and McGorrin, 1981Dahlmann, Köser, et al., 1979
Comment MSDC-RI MSDC-RI MSDC-RI

References

Go To: Top, Normal alkane 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.

Bramston-Cook, 2013
Bramston-Cook, R., Kovats indices for C2-C13 hydrocarbons and selected oxygenated/halocarbons with 100 % dimethylpolysiloxane columns, 2013, retrieved from http://lotusinstruments.com/monographs/List .... [all data]

Kotowska, Zalikowski, et al., 2012
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Supelco, 2012
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Czerny, Brueckner, et al., 2011
Czerny, M.; Brueckner, R.; Kirchoff, E.; Schmitt, R.; Buettner, A., The influence of molecular structure on odor qualities and odor detection thresholds of volatile alkylated phenols, Chem. Senses, 2011, 1-15, retrieved from http://chemie.oxfordjournals.org. [all data]

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Berlioz, Cordella, et al., 2006
Berlioz, B.; Cordella, C.; Cavalli, J.-F.; Lizzani-Cuvelier, L.; Loiseau, A.-M.; Fernandez, X., Comparison of the amounts of volatile compounds in French protected designation of origin virgin olive oils, J. Agric. Food Chem., 2006, 54, 26, 10092-10101, https://doi.org/10.1021/jf061796+ . [all data]

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Castel, C.; Fernandez, X.; Lizzani-Cuvelier, L.; Perichet, C.; Lavoine, S., Characterization of the Chemical Composition of a Byproduct from Siam Benzoin Gum, J. Agric. Food Chem., 2006, 54, 23, 8848-8854, https://doi.org/10.1021/jf061193y . [all data]

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Pino, Marbot, et al., 2003
Pino, J.A.; Marbot, R.; Fuentes, V., Characterization of volatiles in Bullock's heart (Annona reticulata L.) fruit cultivars from Cuba, J. Agric. Food Chem., 2003, 51, 13, 3836-3839, https://doi.org/10.1021/jf020733y . [all data]

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Binder, R.G.; Benson, M.E.; Flath, R.A., Volatile Components of Safflower, J. Agric. Food Chem., 1990, 38, 5, 1245-1248, https://doi.org/10.1021/jf00095a020 . [all data]

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Binder, R.G.; Turner, C.E.; Flath, R.A., Volatile components of purple starthistle, J. Agric. Food Chem., 1990, 38, 4, 1053-1055, https://doi.org/10.1021/jf00094a030 . [all data]

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Yin, H.F.; Sun, Y.L., The achievement of reproducible temperature programmed retention indices in gas chromatography when using different columns and detectors, Chromatographia, 1990, 29, 1/2, 39-43, https://doi.org/10.1007/BF02261137 . [all data]

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Notes

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