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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 MSHP-5 MSRTX-5 MSHP-5SLB-5MS
Column length (m)
Carrier gas HeliumHeliumHeliumHeliumHelium
Column diameter (mm) 0.250.320.250.320.18
Phase thickness (mum)
Program not specified40 0C (1 min) 3 0C/min -> 150 0C (15 min) 5 0C/min -> 250 0C (5 min)not specifiednot specifiednot specified
I 753.772.753.748.726.
ReferenceKotowska, Zalikowski, et al., 2012Rodrigues, Hanson, et al., 2012Mebazaa, Mahmoudi, et al., 2009Pugliese, Sirtori, et al., 2009Risticevic, Carasek, et al., 2008
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-1HP-5Polydimethyl siloxane with 5 % Ph groupsHP-5DB-5
Column length (m) 50.  50.50.
Carrier gas HeHe   
Column diameter (mm) 0.2  0.320.32
Phase thickness (mum) 0.33  1.051.05
Program 40C(2min) => 2C/min => 200C => 15C/min => 250C (30min)50C => 3C/min => 200C(10min) => 10C/min => 290C(10min)not specified40C(10min) => 5C/min => 200C => 20C/min => 250C(5min)40C(10min) => 5C/min => 200C => 20C/min => 250C (5min)
I 716.755.753.749.749.
ReferenceBarra, Baldovini, et al., 2007Splivallo, Bossi, et al., 2007Pino, Marbot, et al., 2005Garcia-Estaban, Ansorena, et al., 2004Garcia-Estaban, Ansorena, et al., 2004, 2
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SPB-5CP Sil 5 CBApiezon LCP Sil 5 CBMethyl phenyl siloxane (not specified)
Column length (m) 60.50. 50. 
Carrier gas    He 
Column diameter (mm) 0.320.32 0.32 
Phase thickness (mum) 1.1.2 1.2 
Program not specified36C => 20C/min => 85C => 1C/min => 145C=3C/min => 250C(30min)not specified36C => 20C/min => 85C => 1C/min => 145C => 3C/min => 250Cnot specified
I 738.724.749.712.743.
ReferenceBegnaud, Pérès, et al., 2003Counet, Callemien, et al., 2002Finkelstein, Kurbatova, et al., 2002Guyot-Declerck, Renson, et al., 2002Poligne, Collignan, et al., 2002
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP Sil 8 CBDB-5 MSSE-30CP Sil 5 CBSPB-1
Column length (m) 60.30. 50.60.
Carrier gas  Helium HeHe
Column diameter (mm) 0.250.25 0.320.53
Phase thickness (mum) 0.251.0 1.25.
Program not specifiednot specifiednot specified30C => 55C/min => 85C => 1C/min => 145C => 3C/min => 250C40C(6min) => 5C/min => 80C => 10C/min => 200C
I 756.759.756.711.725.
ReferenceDuckham, Dodson, et al., 2001Luo and Agnew, 2001Li, Gao, et al., 2000Guyot, Bouseta, et al., 1998Flanagan, Streete, et al., 1997
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-5DB-5SPB-1SPB-1
Column length (m)
Carrier gas HeHeHeHeliumHelium
Column diameter (mm) 0.320.320.320.530.53
Phase thickness (mum)
Program 40C(10min) => 3C/min => 95C => 10C/min => 270C(10min)40C (10min) => 3C/min => 95C => 10C/min => 270C (10min)40C (10min) => 3C/min => 95C => 10C/min => 270C (10min)40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0Cnot specified
I 750.749.750.725.725.
ReferenceMateo, Aguirrezábal, et al., 1997Mateo and Zumalacárregui, 1996Mateo and Zumalacárregui, 1996Strete, Ruprah, et al., 1992Strete, Ruprah, et al., 1992
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1DB-1CP Sil 8 CBDB-1OV-1
Column length (m) 60.60.40. 50.
Carrier gas   He Hydrogen
Column diameter (mm) 0.32
Phase thickness (mum)  
Program not specifiednot specified30 0C (1 min) 15 0C/min -> 45 0C 3 0C/min -> 120 0Cnot specifiednot specified
I 714.718.745.695.732.
ReferenceKawai, Ishida, et al., 1991Kawai, Ishida, et al., 1991Weller and Wolf, 1989MacLeod and Snyder, 1988Waggott and Davies, 1984
Column type CapillaryCapillaryCapillary
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-1
Column length (m) 50.50. 
Carrier gas HydrogenHydrogen 
Column diameter (mm) 0.320.32 
Phase thickness (mum)    
Program not specifiednot specifiednot specified
I 692.743.695.
ReferenceWaggott and Davies, 1984Waggott and Davies, 1984Ramsey and Flanagan, 1982


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]

Rodrigues, Hanson, et al., 2012
Rodrigues, C.I.I.; Hanson, C.M.; Nogueira, J.M.F., Coffees and industrial blends aroma profile discrimination according to the chromatic value, Coffee Sci, Lavras, 2012, 7, 2, 167-176. [all data]

Mebazaa, Mahmoudi, et al., 2009
Mebazaa, R.; Mahmoudi, A.; Fouchet, M.; Dos Santos, M.; Kamissoko, F.; Nafti, A.; Ben Cheikh, R.; Rega, B.; Camel, V., Characterization of volatile compounds in Tunisian fenugreek seeds, Food Chem., 2009, 115, 4, 1326-1336, https://doi.org/10.1016/j.foodchem.2009.01.066 . [all data]

Pugliese, Sirtori, et al., 2009
Pugliese, C.; Sirtori, F.; Ruiz, J.; Martin, D.; Parenti, S.; Franci, O., Effect of pasture on chestnut or acorn on fatty acid composition and aromatic profile of fat of China Senece dry-cured ham, Gracas y Aceites, 2009, 60, 3, 271-276, https://doi.org/10.3989/gya.130208 . [all data]

Risticevic, Carasek, et al., 2008
Risticevic, S.; Carasek, E.; Pawliszyn, J., Headspace solid-phase microextraction-gas chromatographic-time-of-flight mass spectrometric methodology for geographical origin verification of coffee, Anal. Chim. Acta, 2008, 617, 1-2, 72-84, https://doi.org/10.1016/j.aca.2008.04.009 . [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]

Splivallo, Bossi, et al., 2007
Splivallo, R.; Bossi, S.; Maffei, M.; Bonfante, P., Discrimination of truffle fruiting body versus mycelial aromas by stir bar sorptive extraction, Phytochemistry, 2007, 68, 20, 2584-2598, https://doi.org/10.1016/j.phytochem.2007.03.030 . [all data]

Pino, Marbot, et al., 2005
Pino, J.A.; Marbot, R.; Rosado, A.; Vázquez, C., Volatile constituents of Malay rose apple [Syzygium malaccense (L.) Merr. Perry], Flavour Fragr. J., 2005, 20, 98-100. [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]

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]

Counet, Callemien, et al., 2002
Counet, C.; Callemien, D.; Ouwerx, C.; Collin, S., Use of gas chromatography-olfactometry to identify key odorant compounds in dark chocolate. Comparison of samples before and after conching, J. Agric. Food Chem., 2002, 50, 8, 2385-2391, https://doi.org/10.1021/jf0114177 . [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]

Guyot-Declerck, Renson, et al., 2002
Guyot-Declerck, C.; Renson, S.; Bouseta, A.; Collin, S., Floral quality and discrimination of Lavandula stoechas, Lavandula angustifolia, and Lavandula angustifolia × latifolia honeys, Food Chem., 2002, 79, 4, 453-459, https://doi.org/10.1016/S0308-8146(02)00216-9 . [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]

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]

Li, Gao, et al., 2000
Li, R.; Gao, S.-G.; Xiang, B.-R., Using improved BP neural network in predicting GC retention indices, Computers appl. chem. (Chinese), 2000, 17, 1-2, 113-114. [all data]

Guyot, Bouseta, et al., 1998
Guyot, C.; Bouseta, A.; Scheirman, V.; Collin, S., Floral origin markers of chestnut and lime tree honeys, J. Agric. Food Chem., 1998, 46, 2, 625-633, https://doi.org/10.1021/jf970510l . [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]

Mateo, Aguirrezábal, et al., 1997
Mateo, J.; Aguirrezábal, M.; Domínguez, C.; Zumalacárregui, J.M., Volatile compounds in Spanish paprika, J. Food Comp. Anal., 1997, 10, 3, 225-232, https://doi.org/10.1006/jfca.1997.0535 . [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]

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]

Kawai, Ishida, et al., 1991
Kawai, T.; Ishida, Y.; Kakiuchi, H.; Ikeda, N.; Higashida, T.; Nakamura, S., Flavor components of dried squid, J. Agric. Food Chem., 1991, 39, 4, 770-777, https://doi.org/10.1021/jf00004a031 . [all data]

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

MacLeod and Snyder, 1988
MacLeod, A.J.; Snyder, C.H., Volatile components of mango preserved by deep freezing, J. Agric. Food Chem., 1988, 36, 1, 137-139, https://doi.org/10.1021/jf00079a035 . [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]


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