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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 DB-5SLB-5 MSSLB-5 MSHP-1DB-5 MS
Column length (m)
Carrier gas  HeliumHeliumHeHelium
Column diameter (mm) 0.320.
Phase thickness (mum)
Program not specified50 0C 3 0C/min -> 250 0C (1 min) 10 0C/min -> 300 0C (5 min)not specified40C(2min) => 2C/min => 200C => 15C/min => 250C (30min)40 0C (2 min) 6 0C/min -> 100 0C 4 0C/min -> 180 0C 8 0C/min -> 250 0C (12 min)
I 792.788.788.783.792.
ReferenceYusuf and Bewaji, 2011Costa, De Fina, et al., 2008Costa, De Fina, et al., 2008Barra, Baldovini, et al., 2007Liu, Xu, et al., 2007
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-1DB-5DB-5RTX-5Methyl Silicone
Column length (m)
Carrier gas HeHeliumHeliumN2Helium
Column diameter (mm) 0.20.320.320.250.32
Phase thickness (mum) 0.330.
Program 60C(5min) => 3C/min => 180C => 20C/min => 280C(10min)not specifiednot specifiednot specified-50 0C (2 min) 8 0C/min -> 200 0C (7.75 min) 25 0C -> 225 0C (8 min)
I 793.788.790.790.789.
ReferenceMerle, Verdeguer, et al., 2007Pellicer, 2007Pellicer, 2007Ádámová, Orinák, et al., 2005Blunden, Aneja, et al., 2005
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP-Sil5 CB MSMDN-5HP-5DB-5SE-30
Column length (m) 
Carrier gas      
Column diameter (mm) 0.320.250.320.32 
Phase thickness (mum) 
Program 36C(2min) => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C(30min)not specified40C(10min) => 5C/min => 200C => 20C/min => 250C(5min)40C(10min) => 5C/min => 200C => 20C/min => 250C (5min)not specified
I 788.784.792.792.797.
ReferenceIraqi, Vermeulen, et al., 2005Jelen and Grabarkiewicz-Szczesna, 2005Garcia-Estaban, Ansorena, et al., 2004Garcia-Estaban, Ansorena, et al., 2004, 2Vinogradov, 2004
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Polydimethyl siloxaneBPX-5BP-1Methyl SiliconeDB-1
Column length (m)  60.50.  
Carrier gas  HeHe  
Column diameter (mm)  0.320.25  
Phase thickness (mum)  1.1.  
Program not specified40C (4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250 C (10min)-50C => 49.9C/min => 5C(3min) => 3C/min => 50C => 5C/min => 220C(20 min)not specifiednot specified
I 783.790.784.90783.788.
ReferenceJunkes, Castanho, et al., 2003Machiels, van Ruth, et al., 2003Cooke, Hassoun, et al., 2001N/AZhu and Wang, 2001
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Methyl SiliconeSPB-1DB-1DB-1DB-5
Column length (m)
Carrier gas  He   
Column diameter (mm)  0.530.320.320.25
Phase thickness (mum) 
Program not specified40C(6min) => 5C/min => 80C => 10C/min => 200Cnot specified3 min at 5 C; 5 - 50 C at 3 deg/min; 50 - 220 C at 5 deg/minnot specified
I 787.790.788.788.795.
ReferenceSpieksma, 1999Flanagan, Streete, et al., 1997Ciccioli, Cecinato, et al., 1994Ciccioli, Brancaleoni, et al., 1993Jean, Garneau, et al., 1993
Column type CapillaryCapillaryCapillaryPacked
Active phase SPB-1SPB-1OV-101Squalane
Column length (m)
Carrier gas HeliumHeliumHe 
Substrate    Celite (80-100 mesh)
Column diameter (mm) 0.530.530.24 
Phase thickness (mum) 5.05.0  
Program 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0Cnot specifiednot specifiednot specified
I 790.790.786.785.
ReferenceStrete, Ruprah, et al., 1992Strete, Ruprah, et al., 1992Zenkevich and Malamakhov, 1987Swoboda and Lea, 1965


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.

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]

Costa, De Fina, et al., 2008
Costa, R.; De Fina, M.R.; Valentino, M.R.; Rustaiyan, A.; Dugo, P.; Dugo, G.; Mondello, L., An investigation on the volatile composition of some Artemisia species from Iran, Flavour Fragr. J., 2008, 24, 2, 75-82, https://doi.org/10.1002/ffj.1919 . [all data]

Barra, Baldovini, et al., 2007
Barra, A.; Baldovini, N.; Loiseau, A.-M.; Albino, L.; Lesecq, C.; Cuvelier, L.L., Chemical analysis of French beans (Phaseolus vulgaris L.) by headspace solid phase microextraction (HS-SPME) and simultaneous distillation/extraction (SDE), Food Chem., 2007, 101, 3, 1279-1284, https://doi.org/10.1016/j.foodchem.2005.12.027 . [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]

Merle, Verdeguer, et al., 2007
Merle, H.; Verdeguer, M.; Blázquez, M.A.; Boira, H., Chemical composition of the essential oils from Eriocephalus africanus L. var. africanus populations growing in Spain, Flavour Fragr. J., 2007, 22, 6, 461-464, https://doi.org/10.1002/ffj.1821 . [all data]

Pellicer, 2007
Pellicer, L.V., Comparison of Sensory Characteristics, and Instrumental flavor Compounds Analysis of Milk Produced by Three Proction Methods. A Thesis presented to the Faculty of the Graduate School University of Missouri-Columbia, 2007, retrieved from http://edit.missouri,edu/Winter2007/Theses/ValverdePellicerL-053107-T6722/research.pdf. [all data]

Ádámová, Orinák, et al., 2005
Ádámová, M.; Orinák, A.; Halás, L., Retention indices as identification tool in pyrolysis-capillary gas chromatography, J. Chromatogr. A, 2005, 1087, 1-2, 131-141, https://doi.org/10.1016/j.chroma.2005.01.003 . [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]

Iraqi, Vermeulen, et al., 2005
Iraqi, R.; Vermeulen, C.; Benzekri, A.; Bouseta, A.; Collin, S., Screening for key odorants in Moroccan green olives by gas chromatography-olfactometry/aroma extract dilution analysis, J. Agric. Food Chem., 2005, 53, 4, 1179-1184, https://doi.org/10.1021/jf040349w . [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]

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]

Junkes, Castanho, et al., 2003
Junkes, B.S.; Castanho, R.D.M.; Amboni, C.; Yunes, R.A.; Heinzen, V.E.F., Semiempirical Topological Index: A Novel Molecular Descriptor for Quantitative Structure-Retention Relationship Studies, Internet Electronic Journal of Molecular Design, 2003, 2, 1, 33-49. [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]

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]

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]

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]

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]

Jean, Garneau, et al., 1993
Jean, F.-I.; Garneau, F.-X.; Collin, G.J.; Bouhajib, M.; Zamir, L.O., The essential oil and glycosidically bound volatile compounds of Taxus canadensis marsh, J. Essent. Oil Res., 1993, 5, 1, 7-11, https://doi.org/10.1080/10412905.1993.9698163 . [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]

Zenkevich and Malamakhov, 1987
Zenkevich, I.G.; Malamakhov, A.C., Evaluation of Molecular Weights of Organic Compounds based on Retention Parameters at Chromato-Spectral Analysys. Additional Criterion of Molecular Ions' Identification, Vestn. St. Petersb. Univ. Ser. 4: Fiz. Khim, 1987, 2, 101-106. [all data]

Swoboda and Lea, 1965
Swoboda, P.A.T.; Lea, C.H., The flavour volatiles of fats and fat-containing foods. II - a gas chromatographic investigation of volatile autoxidation products from sunflower oil, J. Sci. Food Agriculture, 1965, 16, 11, 680-689, https://doi.org/10.1002/jsfa.2740161108 . [all data]


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