Benzene

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

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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 HP-5 MSDB-5DB-5NonpolarDB-5 MS
Column length (m) 30.30.30. 60.
Carrier gas Helium Helium Helium
Substrate      
Column diameter (mm) 0.250.320.32 0.32
Phase thickness (μm) 0.25   1.0
Program not specifiednot specifiednot specifiednot specified40 0C (2 min) 6 0C/min -> 100 0C 4 0C/min -> 180 0C 8 0C/min -> 250 0C (12 min)
I 657.642.642.655.661.
ReferenceKotowska, Zalikowski, et al., 2012Yusuf and Bewaji, 2011Yusuf and Bewaji, 2011, 2Staples and Zeiger, 2008Liu, Xu, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase OV-101Methyl SiliconeApiezon LMethyl phenyl siloxane (not specified)BP-1
Column length (m)  60.  50.
Carrier gas  Helium  He
Substrate      
Column diameter (mm)  0.32  0.25
Phase thickness (μm)  1.0  1.
Program not specified-50 0C (2 min) 8 0C/min -> 200 0C (7.75 min) 25 0C -> 225 0C (8 min)not specifiednot specified-50C => 49.9C/min => 5C(3min) => 3C/min => 50C => 5C/min => 220C(20 min)
I 670.651.686.662.639.25
ReferenceEbrahimi and Hadjmohammadi, 2006Blunden, Aneja, et al., 2005Finkelstein, Kurbatova, et al., 2002Poligne, Collignan, et al., 2002Cooke, Hassoun, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP Sil 8 CBDB-5 MSOV-101DB-1Methyl Silicone
Column length (m) 60.30.   
Carrier gas  Helium   
Substrate      
Column diameter (mm) 0.250.25   
Phase thickness (μm) 0.251.0   
Program not specifiednot specifiednot specifiednot specifiednot specified
I 663.671.664.654.649.
ReferenceDuckham, Dodson, et al., 2001Luo and Agnew, 2001Zhu and Wang, 2001Zhu and Wang, 2001Spieksma, 1999
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Methyl SiliconeSPB-1DB-1SE-30SE-30
Column length (m)  60.30.  
Carrier gas  He   
Substrate      
Column diameter (mm)  0.530.53  
Phase thickness (μm)  5.1.5  
Program not specified40C(6min) => 5C/min => 80C => 10C/min => 200C40 0C (4 min) 8 0C/min -> 200 0C (1 min) 5 0C/min -> 280 0C (20 min)not specifiednot specified
I 657.655.654.657.664.
ReferenceZenkevich, 1998Flanagan, Streete, et al., 1997Peng, 1996Xiuhua, Zhang, et al., 1996Xiuhua, Zhang, et al., 1996
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Methyl SiliconeDB-5Methyl SiliconeDB-1DB-1
Column length (m)  30. 60.30.
Carrier gas  He  He
Substrate      
Column diameter (mm)    0.320.25
Phase thickness (μm)    0.251.
Program not specifiednot specifiednot specifiednot specified40C (4min) => 10C/min => 200C => 50C/min => 250C
I 657.674.643.640.651.
ReferenceZenkevich, 1996Sorimachi, Tanabe, et al., 1995Xu, Chu, et al., 1995Ciccioli, Cecinato, et al., 1994Schuberth, 1994
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1SE-30SPB-1SPB-1OV-1
Column length (m) 60. 60.60.60.
Carrier gas   HeliumHelium 
Substrate      
Column diameter (mm) 0.320.250.530.530.32
Phase thickness (μm) 0.25 5.05.0 
Program 3 min at 5 C; 5 - 50 C at 3 deg/min; 50 - 220 C at 5 deg/minnot specified40 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 100C
I 640.658.665.660.648.6
ReferenceCiccioli, Brancaleoni, et al., 1993Lou, Liu, et al., 1993Strete, Ruprah, et al., 1992Strete, Ruprah, et al., 1992Engewald and Maurer, 1990
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase OV-1OV-1OV-1DB-1DB-1
Column length (m) 60.60.60.60.60.
Carrier gas      
Substrate      
Column diameter (mm) 0.320.320.320.320.32
Phase thickness (μm)      
Program 1) 1st 30m column temp ramp 4C/min 60-120C. 2) 2nd 30m column isothermal 120C.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 specifiednot specified
I 658.663.5664.6644.644.
ReferenceEngewald and Maurer, 1990Engewald and Maurer, 1990Engewald and Maurer, 1990Binder, Flath, et al., 1989Binder and Flath, 1989
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SqualaneCP Sil 8 CBDB-1DB-1SE-30
Column length (m)  40.30.30.25.
Carrier gas  HeH2H2 
Substrate      
Column diameter (mm)  0.250.250.250.25
Phase thickness (μm)  0.250.250.25 
Program not specified30 0C (1 min) 15 0C/min -> 45 0C 3 0C/min -> 120 0C30C (2min) => 2C/min => 150C => 4C/min => 250C30C (2min) => 2C/min => 150C => 4C/min => 250Cnot specified
I 650.4663.634.644.665.
ReferenceDimov and Mekenyan, 1989Weller and Wolf, 1989Takeoka, Flath, et al., 1988Takeoka, Flath, et al., 1988P'yanova, Zvereva, et al., 1987
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-52OV-1OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.OV-1
Column length (m) 100.50.50.50. 
Carrier gas  HydrogenHydrogenHydrogen 
Substrate      
Column diameter (mm) 0.500.320.320.32 
Phase thickness (μm)      
Program not specifiednot specifiednot specifiednot specifiednot specified
I 666.669.653.673.660.
Referencevan Langenhove and Schamp, 1986Waggott and Davies, 1984Waggott and Davies, 1984Waggott and Davies, 1984Ramsey and Flanagan, 1982
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryPackedPackedPackedPacked
Active phase SE-30SE-30SqualaneSE-30Squalane
Column length (m) 50.6.13.06.13.0
Carrier gas HeN2N2  
Substrate  Chromosorb WEmbacelChrom WEmbacel
Column diameter (mm) 0.5    
Phase thickness (μm)      
Program -10C (8min) => 12C/min => 26C => 3C/min => 170C (30min)50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold)25C(5min) => 2C/min => 35 => 4C/min => 95C(hold)50C(10min) => 20C/min(2min) => 90C(6min) => 10C/min(6min) => (hold at 150C)25C(5min) => 2C/min(5min) => 4C/min(15min) => (hold at 95C)
I 644.665.645.665.645.
ReferenceHeydanek and McGorrin, 1981Robinson and Odell, 1971Robinson and Odell, 1971Robinson and Odell, 1971, 2Robinson and Odell, 1971, 2
Comment MSDC-RI 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]

Yusuf and Bewaji, 2011
Yusuf, O.K.; Bewaji, C.O., Evaluation of essential oils composition of methanolic Allium sativum extract on Trypanosoma brucei infected rats, Res. Pharmaceutical Biotechnol., 2011, 3, 2, 17-21. [all data]

Yusuf and Bewaji, 2011, 2
Yusuf, O.K.; Bewaji, C.O., GC-MS of volatile components of fermented wheat germ extract, J. Cereals Oilseeds, 2011, 2, 3, 38-42. [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]

Liu, Xu, et al., 2007
Liu, Y.; Xu, X.-L.; Zhou, G.-H., Comparative study of volatile compounds in traditional Chinese Nanjing marinated duck by different extraction techniques, Int. J. Food Sci. Technol., 2007, 42, 5, 543-550, https://doi.org/10.1111/j.1365-2621.2006.01264.x . [all data]

Ebrahimi and Hadjmohammadi, 2006
Ebrahimi, P.; Hadjmohammadi, M.R., Simultaneous modeling of the Kovats retention indices on phenyl OV stationary phases with different polarity using MLR and ANN, QSAR Comb. Sci., 2006, 25, 10, 836-845, https://doi.org/10.1002/qsar.200530145 . [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]

Finkelstein, Kurbatova, et al., 2002
Finkelstein, E.E.; Kurbatova, S.V.; Kolosova, E.A., Study of biological activity of structure analogies of adamantane, Proc. Samara State Univ., 2002, 26, 4, 121-128. [all data]

Poligne, Collignan, et al., 2002
Poligne, I.; Collignan, A.; Trystram, G., Effects of salting, drying, cooking, and smoking operations on volatile compound formation and collor patterns in pork, Food Eng. Physical Properties, 2002, 67, 8, 2976-2986. [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]

Duckham, Dodson, et al., 2001
Duckham, S.C.; Dodson, A.T.; Bakker, J.; Ames, J.M., Volatile flavour components of baked potato flesh. A comparison of eleven potato cultivars, Nahrung/Food, 2001, 45, 5, 317-323, https://doi.org/10.1002/1521-3803(20011001)45:5<317::AID-FOOD317>3.0.CO;2-4 . [all data]

Luo and Agnew, 2001
Luo, J.; Agnew, M.P., Gas characteristics before and after biofiltration treating odorous emissions from animal rendering processes, Environ. Technol., 2001, 22, 9, 1091-1103, https://doi.org/10.1080/09593332208618220 . [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]

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]

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]

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]

Zenkevich, 1996
Zenkevich, I.G., Informational Maitenance of Gas Chromatographic Identification of Organic Compounds in Ecoanalytical Investigations, Z. Anal. Chem., 1996, 51, 11, 1140-1148. [all data]

Sorimachi, Tanabe, et al., 1995
Sorimachi, J.; Tanabe, A.; Mitobe, H.; Kuniaki, K.; Masaaki, S., Programmed temperature retention indices for volatile organic compounds on headspace GC/MS analysis, Niigata-ken Eisei Kogai Kenkyusho Nenpo, 1995, 11, 75-79. [all data]

Xu, Chu, et al., 1995
Xu, X.; Chu, S.; Song, N., Application of chromatographic studies of air pollution in China, J. Chromatogr. A, 1995, 710, 1, 21-37, https://doi.org/10.1016/0021-9673(95)00173-K . [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]

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]

Lou, Liu, et al., 1993
Lou, X.; Liu, X.; Zhou, L., Chiral recognition of enantiomeric amides on a diamide chiral stationary phase by gas chromatography, J. Chromatogr., 1993, 634, 2, 345-349, https://doi.org/10.1016/0021-9673(93)83024-M . [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]

Binder, Flath, et al., 1989
Binder, R.G.; Flath, R.A.; Mon, T.R., Volatile components of bittermelon, J. Agric. Food Chem., 1989, 37, 2, 418-420, https://doi.org/10.1021/jf00086a032 . [all data]

Binder and Flath, 1989
Binder, R.G.; Flath, R.A., Volatile components of pineapple guava, J. Agric. Food Chem., 1989, 37, 3, 734-736, https://doi.org/10.1021/jf00087a034 . [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]

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]

P'yanova, Zvereva, et al., 1987
P'yanova, V.P.; Zvereva, M.N.; Tsypysheva, LG.; Portnova, T.V.; Kruglov, E.A., Investigating the products of thiophane synthesis, Abstr. IX All-Union Conference on Gas Chromatography, Kuibyshev State University, Kuibyshev, 1987, 308. [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]

Heydanek and McGorrin, 1981
Heydanek, M.G.; McGorrin, R.J., Gas chromatography-mass spectroscopy investigations on the flavor chemistry of oat groats, J. Agric. Food Chem., 1981, 29, 5, 950-954, https://doi.org/10.1021/jf00107a016 . [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]

Robinson and Odell, 1971, 2
Robinson, P.G.; Odell, A.L., Comparison of isothermal and non-linear temperature programmed gas chromatography. The temperature dependence of the retention indices of a number of hydrocarbons on squalane and SE-30, J. Chromatogr., 1971, 57, 11-17, https://doi.org/10.1016/0021-9673(71)80002-X . [all data]


Notes

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