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Normal alkane RI, non-polar column, temperature ramp

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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 Optima-5 MSVF-5 MSVF-5 MSHP-5DB-5 MS
Column length (m) 30.60.60.60.30.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.250.320.320.250.32
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 35.30.30.35.40.
Tend (C) 250.260.260.220.230.
Heat rate (K/min) 10.2.2.10.6.
Initial hold (min) 3.  1.2.
Final hold (min) 5.28.28.15.20.
I 698.711.714.712.713.
ReferenceGoeminne, Vandendriessche, et al., 2012Leffingwell and Alford, 2011Leffingwell and Alford, 2011Piyachaiseth, Jirapakkul, et al., 2011Chen, Song, et al., 2009
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5 MSSLB-5MSRTX-55 % Phenyl methyl siloxane5 % Phenyl methyl siloxane
Column length (m) 30.10.60.30.30.
Carrier gas HeliumHelium HeHe
Substrate      
Column diameter (mm) 0.250.180.320.250.25
Phase thickness (μm) 0.250.181.1.1.
Tstart (C) 35.40.40.40.40.
Tend (C) 195.295.205.250.250.
Heat rate (K/min) 2.10.4.7.7.
Initial hold (min) 5.1.55.10.10.
Final hold (min) 30. 5.5.5.
I 707.721.712.712.712.
ReferenceKim and Chung, 2009Risticevic, Carasek, et al., 2008Berdague, Tournayre, et al., 2007Ramirez R. and Cava R., 2007Ramirez R. and Cava R., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SPB-5HP-5OV-1015 % Phenyl methyl siloxaneDB-5
Column length (m) 60.60.25.0.60.
Carrier gas  HeN2/HeHeHe
Substrate      
Column diameter (mm) 0.320.320.200.250.25
Phase thickness (μm) 1.0.250.101.0.25
Tstart (C) 40.30.50.40.35.
Tend (C) 230.260.250.250.280.
Heat rate (K/min) 3.2.6.7.5.
Initial hold (min) 5.2. 10.2.
Final hold (min) 5.28. 5.4.
I 712.713.8702.711.727.
ReferenceVasta, Ratel, et al., 2007Leffingwell and Alford, 2005Zenkevich, 2005Ramírez, Estévez, et al., 2004Dhanda, Pegg, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5SPB-5SPB-5DB-5AT-1
Column length (m) 30.60.30.60. 
Carrier gas H2HeliumHeliumHeHe
Substrate      
Column diameter (mm) 0.250.320.250.32 
Phase thickness (μm) 0.251.00.251. 
Tstart (C) 60.30.60.40.50.
Tend (C) 280.230.250.200.300.
Heat rate (K/min) 4.3.4.3.10.
Initial hold (min) 10. 2.5.2.
Final hold (min) 40. 20.  
I 720.703.720.707.700.
ReferencePino, Marbot, et al., 2003Sebastian, Viallon-Fernandez, et al., 2003Pino, Marbot, et al., 2002Joffraud, Leroi, et al., 2001Kelling, 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase RSL-200HP-5Methyl SiliconeMethyl SiliconeDB-1
Column length (m) 30.60.50.50.60.
Carrier gas H2HeH2H2He
Substrate      
Column diameter (mm) 0.320.320.250.250.32
Phase thickness (μm) 0.251.0.50.51.
Tstart (C) 40.40.40.40.40.
Tend (C) 280.240.260.260.260.
Heat rate (K/min) 6.3.4.4.2.
Initial hold (min) 5. 0.50.5 
Final hold (min) 5.    
I 678.711.676.700.682.
ReferenceNgassoum, Jirovetz, et al., 2001García, Martín, et al., 2000Vendramini and Trugo, 2000Vendramini and Trugo, 2000Chen and Ho, 1999
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase BP-5DB-1DB-1DB-1DB-1
Column length (m) 50.60.60.60.60.
Carrier gas HeHeHeHe 
Substrate      
Column diameter (mm) 0.320.320.320.320.25
Phase thickness (μm) 1.1.01.01.0 
Tstart (C) 40.40.40.40.30.
Tend (C) 190.260.280.280.200.
Heat rate (K/min) 2.2.2.2.4.
Initial hold (min) 5.   25.
Final hold (min)     20.
I 728.680.705.705.674.
ReferenceLopez, Ferreira, et al., 1999Chen and Ho, 1998Tai and Ho, 1998Tai and Ho, 1998Buttery, Ling, et al., 1997
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-5DB-1SPB-1DB-1
Column length (m) 60.60.60.50.60.
Carrier gas   HeHeHe
Substrate      
Column diameter (mm) 0.320.320.320.20.25
Phase thickness (μm) 1.1.1.0.33 
Tstart (C) 40.40.40.40.30.
Tend (C) 200.200.280.200.200.
Heat rate (K/min) 3.3.2.3.4.
Initial hold (min) 5.5.2.3.25.
Final hold (min) 2.2.40.30.20.
I 708.711.703.682.674.
ReferenceKondjoyan, Viallon, et al., 1997Kondjoyan, Viallon, et al., 1997Lu, Yu, et al., 1997Wong and Lai, 1996Buttery and Ling, 1995
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1DB-1DB-1DB-1DB-5
Column length (m) 60.60.60.60.30.
Carrier gas HeHeHeHeH2
Substrate      
Column diameter (mm) 0.250.320.250.250.32
Phase thickness (μm) 1. 1.01.01.
Tstart (C) 40.30.40.40.40.
Tend (C) 260.200.260.260.220.
Heat rate (K/min) 2.4.2.2.3.
Initial hold (min) 5.25.5.5. 
Final hold (min) 60.20.60.60. 
I 690.674.684.686.718.
ReferenceYu and Ho, 1995Buttery, Stern, et al., 1994Yu, Wu, et al., 1994Yu, Wu, et al., 1994Moio, Dekimpe, et al., 1993
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-1DB-5DB-1DB-1
Column length (m) 30.60.60.60.60.
Carrier gas H2 HeHeHe
Substrate      
Column diameter (mm) 0.320.320.320.250.25
Phase thickness (μm) 1. 1.00.250.25
Tstart (C) 40.30.40.50.50.
Tend (C) 220.200.240.240.240.
Heat rate (K/min) 3.4.3.3.3.
Initial hold (min)  25.   
Final hold (min)  20.   
I 720.674.721.672.680.
ReferenceMoio, Dekimpe, et al., 1993Hansen, Buttery, et al., 1992Berdague, Denoyer, et al., 1991Shiota, 1991Shiota, 1991
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillary
Active phase DB-1HP-5DB-1DB-1
Column length (m) 60.50.60.50.
Carrier gas HeH2He 
Substrate     
Column diameter (mm) 0.250.30.3150.32
Phase thickness (μm)   0.25 
Tstart (C) 30.80.50.0.
Tend (C) 200.250.250.250.
Heat rate (K/min) 4.16.4.3.
Initial hold (min) 25.   
Final hold (min) 5.   
I 674.706.673.670.
ReferenceButtery, Teranishi, et al., 1990Spadone, Takeoka, et al., 1990Engel, Flath, et al., 1988Habu, Flath, et al., 1985
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI

References

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

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

Goeminne, Vandendriessche, et al., 2012
Goeminne, P.C.; Vandendriessche, T.; Van Eldere, J.; Nicolai, B.M.; Hertog, M.L.; Dupont, L.J., Detection of Pseudomonas aeruginosa in sputum headspace through volatile organic compound analysis, Respiratory Res., 2012, 13, 87, 1-9. [all data]

Leffingwell and Alford, 2011
Leffingwell, J.; Alford, E.D., Volatile constituents of the giant pufball mushroom (Calvatia gigantea), Leffingwell Rep., 2011, 4, 1-17. [all data]

Piyachaiseth, Jirapakkul, et al., 2011
Piyachaiseth, T.; Jirapakkul, W.; Chaiseri, S., Aroma compounds of flash-fried rice, Kasetsart J. (Nat. Sci.), 2011, 45, 717-729. [all data]

Chen, Song, et al., 2009
Chen, G.; Song, H.; Ma, C., Aroma-active aompounds of Beijing roast duck, Flavour Fragr. J., 2009, 24, 4, 186-191, https://doi.org/10.1002/ffj.1932 . [all data]

Kim and Chung, 2009
Kim, J.-S.; Chung, H.Y., GC-MS analysis of the volatile components in dried boxthorn (Lycium chimensis) Fruit, J. Korean Soc. Appl. Biol. Chem., 2009, 52, 5, 516-524, https://doi.org/10.3839/jksabc.2009.088 . [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]

Berdague, Tournayre, et al., 2007
Berdague, J.L.; Tournayre, P.; Cambou, S., Novel multi-gas chromatography?olfactometry device and software for the identification of odour-active compounds, J. Chromatogr. A, 2007, 1146, 1, 85-92, https://doi.org/10.1016/j.chroma.2006.12.102 . [all data]

Ramirez R. and Cava R., 2007
Ramirez R.; Cava R., Volatile profiles of dry-cured meat products from three different Iberian x Duroc genotypes, J. Agric. Food Chem., 2007, 55, 5, 1923-1931, https://doi.org/10.1021/jf062810l . [all data]

Vasta, Ratel, et al., 2007
Vasta, V.; Ratel, J.; Engel, E., Mass Spectrometry Analysis of Volatile Compounds in Raw Meat for the Authentication of the Feeding Background of Farm Animals, J. Agric. Food Chem., 2007, 55, 12, 4630-4639, https://doi.org/10.1021/jf063432n . [all data]

Leffingwell and Alford, 2005
Leffingwell, J.C.; Alford, E.D., Volatile constituents of Perique tobacco, Electron. J. Environ. Agric. Food Chem., 2005, 4, 2, 899-915. [all data]

Zenkevich, 2005
Zenkevich, I.G., Experimentally measured retention indices., 2005. [all data]

Ramírez, Estévez, et al., 2004
Ramírez, M.R.; Estévez, M.; Morcuende, D.; Cava, R., Effect of the type of frying culinary fat on volatile compounds isolated in fried pork loin chops by using SPME-GC-MS, J. Agric. Food Chem., 2004, 52, 25, 7637-7643, https://doi.org/10.1021/jf049207s . [all data]

Dhanda, Pegg, et al., 2003
Dhanda, J.S.; Pegg, R.B.; Shand, P.J., Saskatchewan specialty livestock value-added program - Saskatchewan agri-food innovation fund (AFIF) Project #98000016, 2003, retrieved from http://www.agr.gov.sk.ca/afif/Projects/19980016.pdf. [all data]

Pino, Marbot, et al., 2003
Pino, J.A.; Marbot, R.; Fuentes, V., Characterization of volatiles in Bullock's heart (Annona reticulata L.) fruit cultivars from Cuba, J. Agric. Food Chem., 2003, 51, 13, 3836-3839, https://doi.org/10.1021/jf020733y . [all data]

Sebastian, Viallon-Fernandez, et al., 2003
Sebastian, I.; Viallon-Fernandez, C.; Berge, P.; Berdague, J.-L., Analysis of the volatile fraction of lamb fat tissue: influence of the type of feeding, Sciences des Aliments, 2003, 23, 4, 497-511, https://doi.org/10.3166/sda.23.497-511 . [all data]

Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Vazquez, C., Characterization of volatiles in Loquat fruit (Eriobotrya japonica Lindl.), Revista CENIC Ciencias Quimicas, 2002, 33, 3, 115-119. [all data]

Joffraud, Leroi, et al., 2001
Joffraud, J.J.; Leroi, F.; Roy, C.; Berdagué, J.L., Characterisation of volatile compounds produced by bacteria isolated from the spoilage flora of cold-smoked salmon, Int. J. Food Microbiol., 2001, 66, 3, 175-184, https://doi.org/10.1016/S0168-1605(00)00532-8 . [all data]

Kelling, 2001
Kelling, F.J., Olfaction in houseflies: morphology and electrophysiology. Chapter 7. Chemical and electrophysiological analysis of components, present in natural products that attract houseflies, Dissertation, University of Groningen, The Netherlands, 2001. [all data]

Ngassoum, Jirovetz, et al., 2001
Ngassoum, M.B.; Jirovetz, L.; Buchbauer, G., SPME/GC/MS analysis of headspace aroma compounds of the Cameroonian fruit Tetrapleura tetraptera (Thonn.) Taub., Eur. Food Res. Technol., 2001, 213, 1, 18-21, https://doi.org/10.1007/s002170100330 . [all data]

García, Martín, et al., 2000
García, C.; Martín, A.; Timón, M.L.; Córdoba, J.J., Microbial populations and volatile compounds in the 'bone taint' spoilage of dry cured ham, Lett. Appl. Microbiol., 2000, 30, 1, 61-66, https://doi.org/10.1046/j.1472-765x.2000.00663.x . [all data]

Vendramini and Trugo, 2000
Vendramini, A.L.; Trugo, L.C., Chemical composition of acerola fruit (Malpighia punicifolia L.) at three stages of maturity, Food Chem., 2000, 71, 2, 195-198, https://doi.org/10.1016/S0308-8146(00)00152-7 . [all data]

Chen and Ho, 1999
Chen, J.; Ho, C.-T., Comparison of volatile generation in serine/threonine/glutamine-ribose/glucose/fructose model systems, J. Agric. Food Chem., 1999, 47, 2, 643-647, https://doi.org/10.1021/jf980771a . [all data]

Lopez, Ferreira, et al., 1999
Lopez, R.; Ferreira, V.; Hernandez, P.; Cacho, J.F., Identification of impact odorants of young red wines made with Merlot, Cabernet Sauvignon and Grenache grape varieties: a comparative study, J. Sci. Food Agric., 1999, 79, 11, 1461-1467, https://doi.org/10.1002/(SICI)1097-0010(199908)79:11<1461::AID-JSFA388>3.0.CO;2-K . [all data]

Chen and Ho, 1998
Chen, J.; Ho, C.-T., Volatile compounds generated in serine-monosaccharide model systems, J. Agric. Food Chem., 1998, 46, 4, 1518-1522, https://doi.org/10.1021/jf970934f . [all data]

Tai and Ho, 1998
Tai, C.-Y.; Ho, C.-T., Influence of glutathione oxidation and pH on thermal formation of Maillard-type volatile compounds, J. Agric. Food Chem., 1998, 46, 6, 2260-2265, https://doi.org/10.1021/jf971111t . [all data]

Buttery, Ling, et al., 1997
Buttery, R.G.; Ling, L.C.; Stern, D.J., Studies on popcorn aroma and flavor volatiles, J. Agric. Food Chem., 1997, 45, 3, 837-843, https://doi.org/10.1021/jf9604807 . [all data]

Kondjoyan, Viallon, et al., 1997
Kondjoyan, N.; Viallon, C.; Berdagué, J.L.; Daridan, D.; Simon, M.-N.; Legault, C., Analyse comparative de la fraction volatile de jambons secs de porcs Gascon et Large-White x Landrace Français, J. Rech. C.N.R.S., 1997, 29, 405-410, retrieved from http://www.rennes.inra.fr/srp/jrp/1997/97txtQualite/Q9704.pdf. [all data]

Lu, Yu, et al., 1997
Lu, G.; Yu, T.-H.; Ho, C.-T., Generation of flavor compounds by the reaction of 2-deoxyglucose with selected amino acids, J. Agric. Food Chem., 1997, 45, 1, 233-236, https://doi.org/10.1021/jf960609c . [all data]

Wong and Lai, 1996
Wong, K.C.; Lai, F.Y., Volatile constituents from the fruits of four Syzygium species grown in Malaysia, Flavour Fragr. J., 1996, 11, 1, 61-66, https://doi.org/10.1002/(SICI)1099-1026(199601)11:1<61::AID-FFJ539>3.0.CO;2-1 . [all data]

Buttery and Ling, 1995
Buttery, R.G.; Ling, L.C., Volatile flavor components of corn tortillas and related products, J. Agric. Food Chem., 1995, 43, 7, 1878-1882, https://doi.org/10.1021/jf00055a023 . [all data]

Yu and Ho, 1995
Yu, T.-H.; Ho, C.-T., Volatile compounds generated from thermal reaction of methionine and methionine sulfoxide with or without glucose, J. Agric. Food Chem., 1995, 43, 6, 1641-1646, https://doi.org/10.1021/jf00054a043 . [all data]

Buttery, Stern, et al., 1994
Buttery, R.G.; Stern, D.J.; Ling, L.C., Studies on flavor volatiles of some sweet corn products, J. Agric. Food Chem., 1994, 42, 3, 791-795, https://doi.org/10.1021/jf00039a038 . [all data]

Yu, Wu, et al., 1994
Yu, T.-H.; Wu, C.-M.; Ho, C.-T., Meat-like flavor generated from thermal interactions of glucose and alliin or deoxyalliin, J. Agric. Food Chem., 1994, 42, 4, 1005-1009, https://doi.org/10.1021/jf00040a032 . [all data]

Moio, Dekimpe, et al., 1993
Moio, L.; Dekimpe, J.; Etievant, P.; Addeo, F., Neutral volatile compounds in the raw milks from different species, J. Dairy Res., 1993, 60, 2, 199-213, https://doi.org/10.1017/S0022029900027515 . [all data]

Hansen, Buttery, et al., 1992
Hansen, M.; Buttery, R.G.; Stern, D.J.; Cantwell, M.I.; Ling, L.C., Broccoli storage under low-oxygen atmosphere: Identification of higher boiling volatiles, J. Agric. Food Chem., 1992, 40, 5, 850-852, https://doi.org/10.1021/jf00017a029 . [all data]

Berdague, Denoyer, et al., 1991
Berdague, J.-L.; Denoyer, C.; Le Quéré, J.-L.; Semon, E., Volatile components of dry-cured ham, J. Agric. Food Chem., 1991, 39, 7, 1257-1261, https://doi.org/10.1021/jf00007a012 . [all data]

Shiota, 1991
Shiota, H., Volatile components of pawpaw fruit (Asimina triloba Dunal.), J. Agric. Food Chem., 1991, 39, 9, 1631-1635, https://doi.org/10.1021/jf00009a019 . [all data]

Buttery, Teranishi, et al., 1990
Buttery, R.G.; Teranishi, R.; Ling, L.C.; Turnbaugh, J.G., Quantitative and sensory studies on tomato paste volatiles, J. Agric. Food Chem., 1990, 38, 1, 336-340, https://doi.org/10.1021/jf00091a074 . [all data]

Spadone, Takeoka, et al., 1990
Spadone, J.-C.; Takeoka, G.; Liardon, R., Analytical Investigation of Rio Off-Flavor in Green Coffee, J. Agric. Food Chem., 1990, 38, 1, 226-233, https://doi.org/10.1021/jf00091a050 . [all data]

Engel, Flath, et al., 1988
Engel, K.-H.; Flath, R.A.; Buttery, R.G.; Mon, T.R.; Ramming, D.W.; Teranishi, R., Investigation of volatile constituents in nectarines. 1. Analytical and sensory characterization of aroma components in some nectarine cultivars, J. Agric. Food Chem., 1988, 36, 3, 549-553, https://doi.org/10.1021/jf00081a036 . [all data]

Habu, Flath, et al., 1985
Habu, T.; Flath, R.A.; Mon, T.R.; Morton, J.F., Volatile components of Rooibos tea (Aspalathus linearis), J. Agric. Food Chem., 1985, 33, 2, 249-254, https://doi.org/10.1021/jf00062a024 . [all data]


Notes

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