p-Xylene

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Normal alkane RI, non-polar column, custom temperature program

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 HP-5 MSDB-5HP-5NonpolarNonpolar
Column length (m) 30.30.60.  
Carrier gas HeliumHeliumHelium  
Substrate      
Column diameter (mm) 0.250.250.25  
Phase thickness (μm) 0.250.250.25  
Program not specified50 0C m6 0C/min -> 140 0C 5 0C/min -> 160 0C (1 min) 10 0C/min -> 200 0C30 0C (2 min) 2 0Cmin -> 60 0C 10 0C/min -> 100 0C 20 0C/min -> 140 0C 10 0C/min -> 200 0C (10 min)not specifiednot specified
I 862.881.875.875.875.
ReferenceKotowska, Zalikowski, et al., 2012Courtois, Paine, et al., 2009Rotsatschakul, Visesanguan, et al., 2009Staples and Zeiger, 2008Staples and Zeiger, 2008
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase NonpolarHP-5HP-5HP-5Methyl Silicone
Column length (m)  50.30.30.60.
Carrier gas  Helium  Helium
Substrate      
Column diameter (mm)  0.320.250.250.32
Phase thickness (μm)  1.050.250.251.0
Program not specified40 0C (10 min) 5 0C/min -> 200 0C 15 0C/min -> 250 0C (10 min)40 0C (2 min) 5 0C/min -> 80 0C 7 oC/min -> 160 0C 9 0C/min -> 200 0C 20 0C/min -> 280 0C (10 min)not specified-50 0C (2 min) 8 0C/min -> 200 0C (7.75 min) 25 0C -> 225 0C (8 min)
I 889.870.868.872.864.
ReferenceStaples and Zeiger, 2008Ventanas, Estevez, et al., 2008Zhao, Li, et al., 2008Zhao, Li, et al., 2008Blunden, Aneja, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase MDN-5HP-5MSHP-5DB-5SE-30
Column length (m) 30.30.50.50. 
Carrier gas      
Substrate      
Column diameter (mm) 0.250.250.320.32 
Phase thickness (μm) 0.250.251.051.05 
Program not specified40C(3min) => 4C/min => 75C => 8C/min => 250C40C(10min) => 5C/min => 200C => 20C/min => 250C(5min)40C(10min) => 5C/min => 200C => 20C/min => 250C (5min)not specified
I 866.864.875.875.860.
ReferenceJelen and Grabarkiewicz-Szczesna, 2005Vichi, Pizzale, et al., 2005Garcia-Estaban, Ansorena, et al., 2004Garcia-Estaban, Ansorena, et al., 2004, 2Vinogradov, 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SPB-5Polymethylsiloxane, (PMS-20000)HP-5MSBP-1OV-101
Column length (m) 60. 30.50. 
Carrier gas   HeHe 
Substrate      
Column diameter (mm) 0.32 0.250.25 
Phase thickness (μm) 1. 0.251. 
Program not specifiednot specified40C (10min) => 3C/min => 120C => 10C/min => 250C (5min)-50C => 49.9C/min => 5C(3min) => 3C/min => 50C => 5C/min => 220C(20 min)not specified
I 864.861.888.848.46867.
ReferenceBegnaud, Pérès, et al., 2003Cornwell and Cordano, 2003Ansorena, Gimeno, et al., 2001Cooke, Hassoun, et al., 2001Zhu and Wang, 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1BPX-5Methyl SiliconeDB-1Methyl Silicone
Column length (m)  50. 60. 
Carrier gas  Helium N2 
Substrate      
Column diameter (mm)  0.32 0.32 
Phase thickness (μm)  0.50 0.25 
Program not specified40 0C (5 min) 20 0C/min -> 60 0C (5 min) 4 0C/min -> 250 0C (10 min)not specified40 0C (10 min) 40 - 80 0C at 2 0C/min 80 - 200 0C at 5 0C/min 200 0C (10 min)not specified
I 857.878.864.844.863.
ReferenceZhu and Wang, 2001Madruga, Arruda, et al., 2000Spieksma, 1999Yen and Lin, 1999Zenkevich, 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SPB-1Methyl SiliconeDB-5DB-5DB-1
Column length (m) 60. 50.50.30.
Carrier gas He HeHe 
Substrate      
Column diameter (mm) 0.53 0.320.320.53
Phase thickness (μm) 5. 0.250.251.5
Program 40C(6min) => 5C/min => 80C => 10C/min => 200Cnot specified40C (10min) => 3C/min => 95C => 10C/min => 270C (10min)40C (10min) => 3C/min => 95C => 10C/min => 270C (10min)40 0C (4 min) 8 0C/min -> 200 0C (1 min) 5 0C/min -> 280 0C (20 min)
I 870.863.904.873.875.
ReferenceFlanagan, Streete, et al., 1997Zenkevich and Tsibulskaya, 1997Mateo and Zumalacárregui, 1996Mateo and Zumalacárregui, 1996Peng, 1996
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-30SE-30DB-1OV-101DB-1
Column length (m)   60. 30.
Carrier gas     He
Substrate      
Column diameter (mm)   0.32 0.25
Phase thickness (μm)   0.25 1.
Program not specifiednot specifiednot specifiednot specified40C (4min) => 10C/min => 200C => 50C/min => 250C
I 861.867.855.866.863.
ReferenceXiuhua, Zhang, et al., 1996Xiuhua, Zhang, et al., 1996Ciccioli, Cecinato, et al., 1994Dimov, Osman, et al., 1994Schuberth, 1994
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1SPB-1SPB-1OV-1OV-1
Column length (m) 60.60.60.60.60.
Carrier gas  HeliumHelium  
Substrate      
Column diameter (mm) 0.320.530.530.320.32
Phase thickness (μm) 0.255.05.0  
Program 3 min at 5 C; 5 - 50 C at 3 deg/min; 50 - 220 C at 5 deg/min40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0Cnot specified1) 1st 30m column temp ramp 4C/min 60-120C 2)2nd 30m column isothermal 100C1) 1st 30m column temp ramp 4C/min 60-120C. 2) 2nd 30m column isothermal 120C.
I 855.870.870.865.6871.8
ReferenceCiccioli, Brancaleoni, et al., 1993Strete, Ruprah, et al., 1992Strete, Ruprah, et al., 1992Engewald and Maurer, 1990Engewald and Maurer, 1990
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase OV-1OV-1SqualaneCP Sil 8 CBmethyl silicone oil with 5% Igepal
Column length (m) 60.60. 40.150.
Carrier gas    He 
Substrate      
Column diameter (mm) 0.320.32 0.250.75
Phase thickness (μm)    0.25 
Program 1) 1st 30m column temp ramp 6C/min 60-120C. 2) 2nd 30m column isothermal 120C.1)1st 30m column temp ramp 3C/min 60-120 2)2nd 30m column isothermal 120Cnot specified30 0C (1 min) 15 0C/min -> 45 0C 3 0C/min -> 120 0Cnot specified
I 871.3870.7861.9868.853.
ReferenceEngewald and Maurer, 1990Engewald and Maurer, 1990Dimov and Mekenyan, 1989Weller and Wolf, 1989Schultz, Flath, et al., 1988
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase methyl silicone oil with 5% IgepalDB-1DB-1OV-101SE-52
Column length (m) 150.30.30. 100.
Carrier gas  H2H2  
Substrate      
Column diameter (mm) 0.750.250.25 0.50
Phase thickness (μm)  0.250.25  
Program not specified30C (2min) => 2C/min => 150C => 4C/min => 250C30C (2min) => 2C/min => 150C => 4C/min => 250Cnot specifiednot specified
I 855.846.853.860.876.
ReferenceSchultz, Flath, et al., 1988Takeoka, Flath, et al., 1988Takeoka, Flath, et al., 1988Shibamoto, 1987van Langenhove and Schamp, 1986
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryPackedPacked
Active phase OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.OV-1SE-30Squalane
Column length (m) 50. 6.13.0
Carrier gas Hydrogen N2N2
Substrate   Chromosorb WEmbacel
Column diameter (mm) 0.32   
Phase thickness (μm)     
Program not specifiednot specified50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold)25C(5min) => 2C/min => 35 => 4C/min => 95C(hold)
I 858.860.874.864.
ReferenceWaggott and Davies, 1984Ramsey and Flanagan, 1982Robinson and Odell, 1971Robinson and Odell, 1971
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI

References

Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Kotowska, Zalikowski, et al., 2012
Kotowska, U.; Zalikowski, M.; Isidorov, V.A., HS-SPME/GC-MS analysis of volatile and semi-volatile organic compounds emitted from municipal sewage sludge, Environ. Monit. Asses., 2012, 184, 5, 2893-2907, https://doi.org/10.1007/s10661-011-2158-8 . [all data]

Courtois, Paine, et al., 2009
Courtois, E.A.; Paine, C.E.; Blandinieres, P.-A.; Stien, D.; Bessiere, J.-M.; Houel, E.; Baraloto, C.; Chave, J., Diversity of the volatile organic compounds emitted by 55 species of tropical trees: a survey in French Guiana, J. Chem. Ecol., 2009, 35, 11, 1349-1362, https://doi.org/10.1007/s10886-009-9718-1 . [all data]

Rotsatschakul, Visesanguan, et al., 2009
Rotsatschakul, P.; Visesanguan, W.; Smitinont, T.; Chaiseri, S., Changes in volatile compounds during fermentation of nham (Thai fermented sausage), Int. Food Res. J., 2009, 16, 391-414. [all data]

Staples and Zeiger, 2008
Staples, E.; Zeiger, K., On-Site Measurements of VOCs and Odors from Metal Casting Operations Using an Ultra-Fast Gas Chromatograph, 2008, retrieved from http://www.estcal.com/TechPapers/Industrial/FoundryOdors.doc. [all data]

Ventanas, Estevez, et al., 2008
Ventanas, S.; Estevez, M.; Andres, A.I.; Ruiz, J., Analysis of volatile compounds of Iberian dry-cured loins with different intramuscular fat contents using SPME-DED, Meat Sci., 2008, 79, 1, 172-180, https://doi.org/10.1016/j.meatsci.2007.08.011 . [all data]

Zhao, Li, et al., 2008
Zhao, Y.; Li, J.; Xu, Y.; Duan, H.; Fan, W.; Zhao, G., EXtraction, preparation and identification of volatile compounds in Changyu XO brandy, Chinese J. Chromatogr., 2008, 26, 2, 212-222, https://doi.org/10.1016/S1872-2059(08)60014-0 . [all data]

Blunden, Aneja, et al., 2005
Blunden, J.; Aneja, V.P.; Lonneman, W.A., Characterization of non-methane volatile organic compounds at swine facilities in eastern North Carolina, Atm. Environ., 2005, 39, 36, 6707-6718, https://doi.org/10.1016/j.atmosenv.2005.03.053 . [all data]

Jelen and Grabarkiewicz-Szczesna, 2005
Jelen, H.H.; Grabarkiewicz-Szczesna, J., Volatile compounds of Aspergillus strains with different abilities to produce ochratoxin A, J. Agric. Food Chem., 2005, 53, 5, 1678-1683, https://doi.org/10.1021/jf0487396 . [all data]

Vichi, Pizzale, et al., 2005
Vichi, S.; Pizzale, L.; Conte, L.S.; Buxaderas, S.; L´opez-Tamames, E., Simultaneous determination of volatile and semi-volatile aromatic hydrocarbons in virgin olive oil by headspace solid-phase microextraction coupled to gas chromatography/mass spectrometry, J. Chromatogr. A, 2005, 1090, 1-2, 146-154, https://doi.org/10.1016/j.chroma.2005.07.007 . [all data]

Garcia-Estaban, Ansorena, et al., 2004
Garcia-Estaban, M.; Ansorena, D.; Astiasaran, I.; Martin, D.; Ruiz, J., Comparison of simultaneous distillation extraction (SDE) and solid-phase microextraction (SPME) for the analysis of volatile compounds in dry-cured ham, J. Sci. Food Agric., 2004, 84, 11, 1364-1370, https://doi.org/10.1002/jsfa.1826 . [all data]

Garcia-Estaban, Ansorena, et al., 2004, 2
Garcia-Estaban, M.; Ansorena, D.; Astiasarán, I.; Ruiz, J., Study of the effect of different fiber coatings and extraction conditions on dry cured ham volatile compounds extracted by solid-phase microextraction (SPME), Talanta, 2004, 64, 2, 458-466, https://doi.org/10.1016/j.talanta.2004.03.007 . [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Begnaud, Pérès, et al., 2003
Begnaud, F.; Pérès, C.; Berdagué, J.-L., Characterization of volatile effluents of livestock buildings by solid-phase microextraction, Int. J. Environ. Anal. Chem., 2003, 83, 10, 837-849, https://doi.org/10.1080/03067310310001603349 . [all data]

Cornwell and Cordano, 2003
Cornwell, E.; Cordano, G., Nueva proposicion para predecir datos de retencion obtenidos mediante cromatografia de gases de hidrocarburos derivados de las naftas, Revista de la Sociedad Quimica de Mexico, 2003, 47, 1, 38-43. [all data]

Ansorena, Gimeno, et al., 2001
Ansorena, D.; Gimeno, O.; Astiasarán, I.; Bello, J., Analysis of volatile compounds by GC-MS of a dry fermented sausage: chorizo de Pamplona, Food Res. Int., 2001, 34, 1, 67-75, https://doi.org/10.1016/S0963-9969(00)00133-2 . [all data]

Cooke, Hassoun, et al., 2001
Cooke, K.M.; Hassoun, S.; Sanders, S.M.; Pilling, M.J., Identification and quantification of volatile organic compounds found in a eucalyptus forest during FIELDVOC'94 in Portugal, Chemosphere Global Change Science, 2001, 3, 3, 249-257, https://doi.org/10.1016/S1465-9972(01)00008-3 . [all data]

Zhu and Wang, 2001
Zhu, X.; Wang, W., The relationship between partition coefficients of hydrocarbons and their retention indices, Acta Scientific Circumstantiae, 2001, 21, 5, 631-633. [all data]

Madruga, Arruda, et al., 2000
Madruga, M.S.; Arruda, S.G.B.; Narain, N.; Souza, J.G., Castration and slaughter age effects on panel assessment and aroma compounds of the mestico goat meat, Meat Sci., 2000, 56, 2, 117-125, https://doi.org/10.1016/S0309-1740(00)00025-5 . [all data]

Spieksma, 1999
Spieksma, W., Determination of vapor liquid equilibrium from the Kovats retention index on dimethylsilicone using the Wilson mixing tool, J. Hi. Res. Chromatogr., 1999, 22, 10, 565-588, https://doi.org/10.1002/(SICI)1521-4168(19991001)22:10<565::AID-JHRC565>3.0.CO;2-2 . [all data]

Yen and Lin, 1999
Yen, G.-C.; Lin, H.-T., Changes in volatile flavor components of guava juice with high-pressure treatment and heat processing and during storage, J. Agric. Food Chem., 1999, 47, 5, 2082-2087, https://doi.org/10.1021/jf9810057 . [all data]

Zenkevich, 1998
Zenkevich, I.G., Non-Traditional Criteria for Gas-Chromatographic and Chromato-Mass-Spectrometric Identification of Organic Compounds, Zh. Anal. Khim., 1998, 53, 8, 828-835. [all data]

Flanagan, Streete, et al., 1997
Flanagan, R.J.; Streete, P.J.; Ramsey, J.D., Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56, retrieved from http://www.odccp.org/pdf/technicalseries1997-01-011.pdf. [all data]

Zenkevich and Tsibulskaya, 1997
Zenkevich, I.G.; Tsibulskaya, I.A., Group identification of organic compounds by gas-chromatographic retention indices and partition coefficients in the hexane-nitromethane system, Zh. Fiz. Khim., 1997, 71, 2, 341-346. [all data]

Mateo and Zumalacárregui, 1996
Mateo, J.; Zumalacárregui, J.M., Volatile compounds in chorizo and their changes during ripening, Meat Sci., 1996, 44, 4, 255-273, https://doi.org/10.1016/S0309-1740(96)00028-9 . [all data]

Peng, 1996
Peng, C.T., Gas chromatographic identification of aromatic hydrocarbons in Liquid Scintillation Spectrometry, Cook, G.T.; Harkness, D.D.; MacKenzie, A.B.; Miller, B.F.; Scott, E.M., ed(s)., 1996, 221-232. [all data]

Xiuhua, Zhang, et al., 1996
Xiuhua, Zh.; Zhang, L.; Che, X., Prediction of the Kovats retention indexes of polysubstituted alkylbenzenes, Chin. J. Chromatogr., 1996, 14, 4, 244-248. [all data]

Ciccioli, Cecinato, et al., 1994
Ciccioli, P.; Cecinato, A.; Brancaleoni, E.; Brachetti, A.; Frattoni, M.; Sparapani, R., Composition and Distribution of Polar and Non-Polar VOCs in Urban, Rural, Forest and Remote Areas, Eur Commission EUR, 1994, 549-568. [all data]

Dimov, Osman, et al., 1994
Dimov, N.; Osman, A.; Mekenyan, Ov.; Papazova, D., Selection of moelcular descriptors used in quantitative structure-gas chromatographic retention relationships. I. Application to alkylbenzenes and naphthalenes, Anal. Chim. Acta., 1994, 298, 3, 303-317, https://doi.org/10.1016/0003-2670(94)00280-0 . [all data]

Schuberth, 1994
Schuberth, J., Joint use of retention index and mass spectrum in postmortem tests for volatile organics by headspace capillary gas chromatography with ion-trap detection, J. Chromatogr. A, 1994, 674, 1-2, 63-71, https://doi.org/10.1016/0021-9673(94)85217-0 . [all data]

Ciccioli, Brancaleoni, et al., 1993
Ciccioli, P.; Brancaleoni, E.; Cecinato, A.; Sparapani, R.; Frattoni, M., Identification and determination of biogenic and anthropogenic volatile organic compounds in forest areas of Northern and Southern Europe and a remote site of the Himalaya region by high-resolution gas chromatography-mass spectrometry, J. Chromatogr., 1993, 643, 1-2, 55-69, https://doi.org/10.1016/0021-9673(93)80541-F . [all data]

Strete, Ruprah, et al., 1992
Strete, P.J.; Ruprah, M.; Ramsey, J.D.; Flanagan, R.J., Detection and identification of volatile substances by headspace capillary gas chromatography to aid the diagnosis of acute poisoning, Analyst, 1992, 117, 7, 1111-1127, https://doi.org/10.1039/an9921701111 . [all data]

Engewald and Maurer, 1990
Engewald, W.; Maurer, T., Enhanced possibilities for identification by the use of series-coupled capillary gas chromatographic columns. I. General exposition and application of the retention index concept, J. Chromatogr., 1990, 520, 3-13, https://doi.org/10.1016/0021-9673(90)85078-A . [all data]

Dimov and Mekenyan, 1989
Dimov, N.; Mekenyan, Ov., Quantitative Relationships Between the Structure of Alkylbenzenes and Their Gas Chromatographic Retention on Stationary Phasses with Different Polarity, J. Chromatogr., 1989, 471, 227-236, https://doi.org/10.1016/S0021-9673(00)94170-0 . [all data]

Weller and Wolf, 1989
Weller, J.-P.; Wolf, M., Massenspektroskopie und Headspace-GC, Beitr. Gerichtl. Med., 1989, 47, 525-532. [all data]

Schultz, Flath, et al., 1988
Schultz, T.H.; Flath, R.A.; Stern, D.J.; Mon, T.R.; Teranishi, R.; McKenna Kruse, S.; Butlder, B.; Howard, W.E., Coyote estrous urine volatiles, J. Chem. Ecol., 1988, 14, 2, 701-712, https://doi.org/10.1007/BF01013917 . [all data]

Takeoka, Flath, et al., 1988
Takeoka, G.R.; Flath, R.A.; Güntert, M.; Jennings, W., Nectarine volatiles: vacuum steam distillation versus headspace sampling, J. Agric. Food Chem., 1988, 36, 3, 553-560, https://doi.org/10.1021/jf00081a037 . [all data]

Shibamoto, 1987
Shibamoto, T., Retention Indices in Essential Oil Analysis in Capillary Gas Chromatography in Essential Oil Analysis, Sandra, P.; Bicchi, C., ed(s)., Hutchig Verlag, Heidelberg, New York, 1987, 259-274. [all data]

van Langenhove and Schamp, 1986
van Langenhove, H.; Schamp, N., Identification of Volatiles in the Head Space of Acid-Treated Phosphate Rock by Gas Chromatography-Mass Spectromety, J. Chromatogr., 1986, 351, 65-75, https://doi.org/10.1016/S0021-9673(01)83473-7 . [all data]

Waggott and Davies, 1984
Waggott, A.; Davies, I.W., Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]

Ramsey and Flanagan, 1982
Ramsey, J.D.; Flanagan, R.J., Detection and Identification of Volatile Organic Compounds in Blood by Headspace Gas Chromatography as an Aid to the Diagnosis of Solvent Abuse, J. Chromatogr., 1982, 240, 2, 423-444, https://doi.org/10.1016/S0021-9673(00)99622-5 . [all data]

Robinson and Odell, 1971
Robinson, P.G.; Odell, A.L., A system of standard retention indices and its uses. The characterisation of stationary phases and the prediction of retention indices, J. Chromatogr., 1971, 57, 1-10, https://doi.org/10.1016/0021-9673(71)80001-8 . [all data]


Notes

Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References