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Cyclohexane, methyl-

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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 SqualaneSqualaneMethyl SiliconeMethyl SiliconeDB-5MS
Column length (m)    60.30.
Carrier gas    HeliumHe
Substrate      
Column diameter (mm)    0.320.25
Phase thickness (mum)    1.00.25
Program not specifiednot specifiednot specified-50 0C (2 min) 8 0C/min -> 200 0C (7.75 min) 25 0C -> 225 0C (8 min)40C => 2C/min => 60C => 4C/min => 260C
I 721.730.726.724.755.
ReferenceChen, 2008Chen, 2008Feng and Mu, 2007Blunden, Aneja, et al., 2005Maia, Andrade, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SPB-5BPX-5Methyl phenyl siloxane (not specified)DB-5 MSDB-5 MS
Column length (m) 60.60. 30.30.
Carrier gas  He HeliumHelium
Substrate      
Column diameter (mm) 0.320.32 0.250.25
Phase thickness (mum) 1.1. 1.01.0
Program not specified40C (4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250 C (10min)not specifiednot specifiednot specified
I 719.726.726.746.748.
ReferenceBegnaud, Pérès, et al., 2003Machiels, van Ruth, et al., 2003Poligne, Collignan, et al., 2002Luo and Agnew, 2001Luo and Agnew, 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5 MSMethyl SiliconeDB-1BPX-5Methyl Silicone
Column length (m) 30.  50. 
Carrier gas Helium  Helium 
Substrate      
Column diameter (mm) 0.25  0.32 
Phase thickness (mum) 1.0  0.50 
Program not specifiednot specifiednot specified40 0C (5 min) 20 0C/min -> 60 0C (5 min) 4 0C/min -> 250 0C (10 min)not specified
I 750.725.724.734.725.
ReferenceLuo and Agnew, 2001Zenkevich and Marinichev, 2001Zhu and Wang, 2001Madruga, Arruda, et al., 2000Zenkevich, 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Methyl SiliconeSE-54SE-54SPB-1Methyl Silicone
Column length (m)    60. 
Carrier gas    He 
Substrate      
Column diameter (mm)    0.53 
Phase thickness (mum)    5. 
Program not specifiednot specifiednot specified40C(6min) => 5C/min => 80C => 10C/min => 200Cnot specified
I 717.726.729.729.717.
ReferenceSpieksma, 1999Zhu and He, 1999Zhu and He, 1999Flanagan, Streete, et al., 1997Xu, Chu, et al., 1995
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1DB-1OV-101SPB-1SPB-1
Column length (m) 60.60. 60.60.
Carrier gas    HeliumHelium
Substrate      
Column diameter (mm) 0.320.32 0.530.53
Phase thickness (mum) 0.250.25 5.05.0
Program not specified3 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 specified
I 714.714.709.729.748.
ReferenceCiccioli, Cecinato, et al., 1994Ciccioli, Brancaleoni, et al., 1993Skrbic and Cvejanov, 1993Strete, Ruprah, et al., 1992Strete, Ruprah, et al., 1992
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryPackedCapillaryCapillary
Active phase SE-30SE-52SE-30OV-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.
Column length (m) 25.100.3.0550.50.
Carrier gas   HeHydrogenHydrogen
Substrate   Chromosorb AW  
Column diameter (mm) 0.250.50 0.320.32
Phase thickness (mum)      
Program not specifiednot specifiednot specifiednot specifiednot specified
I 727.725.727.715.716.
ReferenceP'yanova, Zvereva, et al., 1987van Langenhove and Schamp, 1986Buchman, Cao, et al., 1984Waggott and Davies, 1984Waggott and Davies, 1984
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryPacked
Active phase OV-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-1SE-30SE-30
Column length (m) 50.50. 50.6.1
Carrier gas HydrogenHydrogen HeN2
Substrate     Chromosorb W
Column diameter (mm) 0.320.32 0.5 
Phase thickness (mum)      
Program not specifiednot specifiednot specified-10C (8min) => 12C/min => 26C => 3C/min => 170C (30min)50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold)
I 727.736.750.716.737.
ReferenceWaggott and Davies, 1984Waggott and Davies, 1984Ramsey and Flanagan, 1982Heydanek and McGorrin, 1981Robinson and Odell, 1971
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type Packed
Active phase Squalane
Column length (m) 3.0
Carrier gas N2
Substrate Embacel
Column diameter (mm)  
Phase thickness (mum)  
Program 25C(5min) => 2C/min => 35 => 4C/min => 95C(hold)
I 735.
ReferenceRobinson and Odell, 1971
Comment 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.

Chen, 2008
Chen, H.-F., Quantitative prediction of gas chromatography retention indices with support vector machines, radial basis neutral networks and multiple linear regression, Anal. Chim. Acta, 2008, 609, 1, 24-36, https://doi.org/10.1016/j.aca.2008.01.003 . [all data]

Feng and Mu, 2007
Feng, H.; Mu, L.-L., Quantitative structure-retention relationships for alkane and its derivatives based on electrotopological state index and molecular shape index, Chem. Ind. Engineering (Chinese), 2007, 24, 2, 161-168. [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]

Maia, Andrade, et al., 2004
Maia, J.G.S.; Andrade, E.H.A.; Zoghbi, M.G.B., Aroma volatiles from two fruit varieties of jackfruit (Artocarpus heterophyllus Lam.), Food Chem., 2004, 85, 2, 195-197, https://doi.org/10.1016/S0308-8146(03)00292-9 . [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]

Machiels, van Ruth, et al., 2003
Machiels, D.; van Ruth, S.M.; Posthumus, M.A.; Istasse, L., Gas chromatography-olfactometry analysis of the volatile compounds of two commercial Irish beef meats, Talanta, 2003, 60, 4, 755-764, https://doi.org/10.1016/S0039-9140(03)00133-4 . [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]

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]

Zenkevich and Marinichev, 2001
Zenkevich, I.G.; Marinichev, A.N., Comparison of Topological and Dynamics Molecular Characteristics for Precalculation of Chromatographic Retention Parameters of Organic Compounds (in Russian), Zh. Struct. Khim., 2001, 42, 5, 893-902. [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]

Zenkevich, 2000
Zenkevich, I.G., Mutual Correlation between Gas Chromatographic Retention Indices of Unsaturated and Saturated Hydrocarbons found by Molecular Dynamics, Z. Anal. Chem., 2000, 55, 10, 1091-1097. [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]

Zhu and He, 1999
Zhu, X.; He, L., Derivation of isothermal retention indices from a retention values under multiple-ramp temperature-programmed conditions, J. Instrum. Anal. (Chinese), 1999, 18, 6, 10-12. [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]

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]

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]

Skrbic and Cvejanov, 1993
Skrbic, B.D.; Cvejanov, J.Dj., Correlation of unified retention indices for OV-101 and squalane, Chromatographia, 1993, 35, 1/2, 109-110, https://doi.org/10.1007/BF02278566 . [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]

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]

Buchman, Cao, et al., 1984
Buchman, O.; Cao, G.-Y.; Peng, C.T., Structure assignment by retention index in gas-liquid radiochromatography of substituted cyclohexenes, J. Chromatogr., 1984, 312, 75-90, https://doi.org/10.1016/S0021-9673(01)92765-7 . [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]


Notes

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