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Acetic acid

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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 MSDB-5VF-5 MSVF-5 MSDB-5 MS
Column length (m) 30.25.60.60.25.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.250.200.320.320.20
Phase thickness (mum) 0.250.330.250.250.33
Tstart (C) 35.50.30.30.40.
Tend (C) 250.240.260.260.250.
Heat rate (K/min) 10.20.2.2.10.
Initial hold (min) 3.1.  1.
Final hold (min) 5. 28.28. 
I 609.640.587.588.623.
ReferenceGoeminne, Vandendriessche, et al., 2012Cais-Sokolinska, Majcher, et al., 2011Leffingwell and Alford, 2011Leffingwell and Alford, 2011Majcher, Lawrowski, et al., 2010
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5 MSHP-5RTX-5RTX-5DB-5
Column length (m) 30.10.30.60.60.
Carrier gas HeliumHeliumHe Helium
Substrate      
Column diameter (mm) 0.320.100.250.320.32
Phase thickness (mum) 0.250.400.251.1.0
Tstart (C) 50.40.40.40.35.
Tend (C) 240.280.250.205.240.
Heat rate (K/min) 4.20.20.4.15.
Initial hold (min) 2.1.5.5.7.
Final hold (min) 10.1. 5.10.
I 602.641.622.610.600.
ReferencePino, Marquez, et al., 2010Mildner-Szkudlarz and Jelen, 2008Pham, Schilling, et al., 2008Berdague, Tournayre, et al., 2007Gogus, Ozel, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase 5 % Phenyl methyl siloxane5 % Phenyl methyl siloxaneDB-5DB-5DB-5
Column length (m) 30.30.60.60.30.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.320.320.32
Phase thickness (mum) 1.1.  0.25
Tstart (C) 40.40.60.50.60.
Tend (C) 250.250.250.250.280.
Heat rate (K/min) 7.7.4.4.5.
Initial hold (min) 10.10.5.5.0.5
Final hold (min) 5.5.  2.
I 615.615.662.658.600.
ReferenceRamirez R. and Cava R., 2007Ramirez R. and Cava R., 2007Fadel, Mageed, et al., 2006Fadel, Mageed, et al., 2006, 2Ozel, Gogus, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5MSMDN-5OV-1015 % Phenyl methyl siloxaneMDN-5
Column length (m) 30.60.25.0.30.
Carrier gas  HeN2/HeHeHe
Substrate      
Column diameter (mm) 0.250.250.200.250.25
Phase thickness (mum) 0.250.250.101.0.25
Tstart (C) 38.40.50.40.40.
Tend (C) 220.270.250.250.280.
Heat rate (K/min) 5.4.6.7.20.
Initial hold (min) 1.4. 10.1.
Final hold (min) 2.5. 5.1.
I 660.649.638.660.641.
ReferenceKrist, Stuebiger, et al., 2005van Loon, Linssen, et al., 2005Zenkevich, 2005Ramírez, Estévez, et al., 2004Mildner-Szkudlarz, Jelen, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5SPB-1SPB-1RSL-200RSL-200
Column length (m) 30.30.30.30.30.
Carrier gas H2HeHeH2H2
Substrate      
Column diameter (mm) 0.250.250.250.320.25
Phase thickness (mum) 0.250.250.250.250.25
Tstart (C) 60.40.40.40.40.
Tend (C) 280.200.200.280.280.
Heat rate (K/min) 4.3.3.6.6.
Initial hold (min) 10.10.10.5.2.
Final hold (min) 40.  5.10.
I 600.617.617.603.603.
ReferencePino, Marbot, et al., 2003Vichi, Castellote, et al., 2003Vichi, Pizzale, et al., 2003Jirovetz, Buchbauer, et al., 2002Jirovetz, Smith, et al., 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5AT-1DB-5MSDB-5DB-5
Column length (m) 60. 30.30.30.
Carrier gas HeHeHeH2H2
Substrate      
Column diameter (mm) 0.32 0.320.320.32
Phase thickness (mum) 1. 0.250.50.5
Tstart (C) 40.50.40.60.60.
Tend (C) 200.300.195.245.245.
Heat rate (K/min) 3.10.5.3.3.
Initial hold (min) 5.2.5.3.3.
Final hold (min)   40.20.20.
I 606.584.637.628.628.
ReferenceJoffraud, Leroi, et al., 2001Kelling, 2001Suriyaphan, Drake, et al., 2001Kotseridis and Baumes, 2000Kotseridis and Baumes, 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase OV-101Methyl SiliconeSE-54DB-1DB-1
Column length (m) 50.60.25.60.60.
Carrier gas Nitrogen  HeHe
Substrate      
Column diameter (mm) 0.250.250.310.320.32
Phase thickness (mum)  0.25 1.01.0
Tstart (C) 40.40.35.40.40.
Tend (C) 200.220.250.280.280.
Heat rate (K/min) 2.5.4.2.2.
Initial hold (min) 10.10.3.  
Final hold (min)      
I 580.620.77616.650.650.
ReferenceTamura, Boonbumrung, et al., 2000Baraldi, Rapparini, et al., 1999Ding, Deng, et al., 1998Tai and Ho, 1998Tai and Ho, 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5Ultra-2DB-1DB-1DB-1
Column length (m) 60.50.60.60.60.
Carrier gas  HeHeHeHe
Substrate      
Column diameter (mm) 0.320.320.250.250.25
Phase thickness (mum) 1.0.521.01.01.
Tstart (C) 40.40.40.40.40.
Tend (C) 200.250.260.260.260.
Heat rate (K/min) 3.4.2.2.2.
Initial hold (min) 5.3.5.5.5.
Final hold (min) 2.30.60.60.60.
I 608.602.611.600.622.
ReferenceKondjoyan, Viallon, et al., 1997King, Matthews, et al., 1995Yu, Wu, et al., 1994Yu, Wu, et al., 1994Yu, Wu, et al., 1994, 2
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillary
Active phase DB-1DB-1
Column length (m) 60.50.
Carrier gas He 
Substrate   
Column diameter (mm) 0.320.32
Phase thickness (mum) 1.2 
Tstart (C) 30.0.
Tend (C) 240.250.
Heat rate (K/min) 3.3.
Initial hold (min) 10. 
Final hold (min)   
I 646.621.
ReferenceCiccioli, Cecinato, et al., 1992Habu, Flath, et al., 1985
Comment 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]

Cais-Sokolinska, Majcher, et al., 2011
Cais-Sokolinska, D.; Majcher, M.; Pikul, J.; Bielinska, S.; Czauderma, M.; Wojtowski, J., The effect of Camelia sativa cake diet supplementation on sensory and volatile profiles of ewe's milk, African J. Biotechnol., 2011, 10, 37, 7245-7252. [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]

Majcher, Lawrowski, et al., 2010
Majcher, M.; Lawrowski, P.; Jelen, H., Comparison of original and adulterated oscypek cheese based on volatile and sensory profiles, Acta Sci. Pol. Technol. Aliment., 2010, 9, 3, 265-275. [all data]

Pino, Marquez, et al., 2010
Pino, J.A.; Marquez, E.; Quijano, C.E.; Castro, D., Volatile compounds in noni (Morinda citrifolia L.) at two ripening stages, Ciencia e Technologia de Alimentos, 2010, 30, 1, 183-187, https://doi.org/10.1590/S0101-20612010000100028 . [all data]

Mildner-Szkudlarz and Jelen, 2008
Mildner-Szkudlarz, S.; Jelen, H.H., The potential of different techniques for volatile compounds analysis coupled with PCA for the detection of the adulteration of olive oil with hazelnut oil, Food Chem., 2008, 110, 3, 751-761, https://doi.org/10.1016/j.foodchem.2008.02.053 . [all data]

Pham, Schilling, et al., 2008
Pham, A.J.; Schilling, M.W.; Yoon, Y.; Kamadia, V.V.; Marshall, D.L., Characterization of fish sauce aroma-impact compounds using GC-MS, SPME-Osme-GCO, and Stevens' power law exponents, J. Food. Sci., 2008, 73, 4, c268-c274, https://doi.org/10.1111/j.1750-3841.2008.00709.x . [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]

Gogus, Ozel, et al., 2007
Gogus, F.; Ozel, M.Z.; Lewis, A.C., The Effect of Various Drying Techniques on Apricot Volatiles Analysed Using Direct Desorption-GC-TOF/MS, Talanta, 2007, 73, 2, 321-325, https://doi.org/10.1016/j.talanta.2007.03.048 . [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]

Fadel, Mageed, et al., 2006
Fadel, H.H.M.; Mageed, M.A.A.; Lotfy, S.N., Quality and flavour stability of coffee substitute prepared by extrusion of wheat germ and chicory roots, Amino Acids, 2006, https://doi.org/10.1007/s007260200008 . [all data]

Fadel, Mageed, et al., 2006, 2
Fadel, H.H.M.; Mageed, M.A.A.; Samad, A.K.M.E.A.; Lotfy, S.N., Cocoa substitute: Evaluation of sensory qualities and flavour stability, Eur. Food Res. Technol., 2006, 223, 1, 125-131, https://doi.org/10.1007/s00217-005-0162-3 . [all data]

Ozel, Gogus, et al., 2006
Ozel, M.Z.; Gogus, F.; Lewis, A.C., Comparison of direct thermal desorption with water distillation and superheated water extraction for the analysis of volatile components of Rosa damascena Mill. using GCxGC-TOF/MS, Anal. Chim. Acta., 2006, 566, 2, 172-177, https://doi.org/10.1016/j.aca.2006.03.014 . [all data]

Krist, Stuebiger, et al., 2005
Krist, S.; Stuebiger, G.; Unterweger, H.; Bandion, F.; Buchbauer, G., Analysis of volatile compounds and triglycerides of seed oils extracted from different poppy varieties (Papaver somniferum L.), J. Agric. Food Chem., 2005, 53, 21, 8310-8316, https://doi.org/10.1021/jf0580869 . [all data]

van Loon, Linssen, et al., 2005
van Loon, W.A.M.; Linssen, J.P.H.; Legger, A.; Posthumus, M.A.; Voragen, A.G.J., Identification and olfactometry of French fries flavour extracted at mouth conditions, Food Chem., 2005, 90, 3, 417-425, https://doi.org/10.1016/j.foodchem.2004.05.005 . [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]

Mildner-Szkudlarz, Jelen, et al., 2003
Mildner-Szkudlarz, S.; Jelen, H.H.; Zawirska-Wojtasiak, R.; Wasowicz, E., Application of headspace - solid phase microextraction and multivariate analysis for plant oils differentiation, Food Chem., 2003, 83, 4, 515-522, https://doi.org/10.1016/S0308-8146(03)00147-X . [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]

Vichi, Castellote, et al., 2003
Vichi, S.; Castellote, A.I.; Pizzale, L.; Conte, L.S.; Buxaderas, S.; López-Tamames, E., Analysis of virgin olive oil volatile compounds by headspace solid-phase microextraction coupled to gas chromatography with mass spectrometric and flame ionization detection, J. Chromatogr. A, 2003, 983, 1-2, 19-33, https://doi.org/10.1016/S0021-9673(02)01691-6 . [all data]

Vichi, Pizzale, et al., 2003
Vichi, S.; Pizzale, L.; Conte, L.S.; Buxaderas, S.; López-Tamames, E., Solid-phase microextraction in the analysis of virgin olive oil volatile fraction: characterization of virgin olive oils from two distinct geographical areas of Northern Italy, J. Agric. Food Chem., 2003, 51, 22, 6572-6577, https://doi.org/10.1021/jf030269c . [all data]

Jirovetz, Buchbauer, et al., 2002
Jirovetz, L.; Buchbauer, G.; Ngassoum, M.B.; Geissler, M., Aroma compound analysis of Piper nigrum and Piper guineense essential oils from Cameroon using solid-phase microextraction-gas chromatography, solid-phase microextraction-gas chromatography-mass spectrometry and olfactometry, J. Chromatogr. A, 2002, 976, 1-2, 265-275, https://doi.org/10.1016/S0021-9673(02)00376-X . [all data]

Jirovetz, Smith, et al., 2002
Jirovetz, L.; Smith, D.; Buchbauer, G., Aroma compound analysis of Eruca sativa (Brassicaceae) SPME headspace leaf samples using GC, GC-MS, and olfactometry, J. Agric. Food Chem., 2002, 50, 16, 4643-4646, https://doi.org/10.1021/jf020129n . [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]

Suriyaphan, Drake, et al., 2001
Suriyaphan, O.; Drake, M.; Chen, X.Q.; Cadwallader, K.R., Characteristic aroma components of British farmhouse cheddar cheese, J. Agric. Food Chem., 2001, 49, 3, 1382-1387, https://doi.org/10.1021/jf001121l . [all data]

Kotseridis and Baumes, 2000
Kotseridis, Y.; Baumes, R., Identification of impact odorants in Bordeaux red grape juice, in the commercial yeast used for its fermentation, and in the produced wine, J. Agric. Food Chem., 2000, 48, 2, 400-406, https://doi.org/10.1021/jf990565i . [all data]

Tamura, Boonbumrung, et al., 2000
Tamura, H.; Boonbumrung, S.; Yoshizawa, T.; Varanyanond, W., Volatile components of the essential oil in the pulp of four yellow mangoes (Mangifera indica L.) in Thailand, Food Sci. Technol. Res., 2000, 6, 1, 68-73, https://doi.org/10.3136/fstr.6.68 . [all data]

Baraldi, Rapparini, et al., 1999
Baraldi, R.; Rapparini, F.; Rossi, F.; Latella, A.; Ciccioli, P., Volatile organic compound emissions from flowers of the most occurring and economically important species of fruit trees, Phys. Chem. Earth, 1999, 24, 6, 729-732, https://doi.org/10.1016/S1464-1909(99)00073-8 . [all data]

Ding, Deng, et al., 1998
Ding, Q.; Deng, Y.; Sun, Y.; Huagn, A.; Sun, Y., Analysis of volatile components in ox feces by capillary gas chromatography, Beijing Daxue Xuebao Ziran Kexueban, 1998, 34, 6, 720-725. [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]

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]

King, Matthews, et al., 1995
King, M.-F.; Matthews, M.A.; Rule, D.C.; Field, R.A., Effect of beef packaging method on volatile compounds developed by oven roasting or microwave cooking, J. Agric. Food Chem., 1995, 43, 3, 773-778, https://doi.org/10.1021/jf00051a039 . [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]

Yu, Wu, et al., 1994, 2
Yu, T.-H.; Wu, C.-M.; Rosen, R.T.; Hartman, T.G.; Ho, C.-T., Volatile compounds in generated from thermal degradation of alliin and deoxyalliin in an aqueous solution, J. Agric. Food Chem., 1994, 42, 1, 146-153, https://doi.org/10.1021/jf00037a026 . [all data]

Ciccioli, Cecinato, et al., 1992
Ciccioli, P.; Cecinato, A.; Brancaleoni, E.; Frattoni, M.; Liberti, A., Use of carbon adsorption traps combined with high resolution gas chromatography - mass spectrometry for the analysis of polar and non-polar C4-C14 hydrocarbons involved in photochemical smog formation, J. Hi. Res. Chromatogr., 1992, 15, 2, 75-84, https://doi.org/10.1002/jhrc.1240150205 . [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