Phenol

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Normal alkane RI, non-polar column, temperature ramp

Go To: Top, References, Notes

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 MSOptima-5 MSTR-1TR-1HP-5 MS
Column length (m) 30.30.30.30.30.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.250.250.320.320.25
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 45.35.50.50.35.
Tend (C) 280.250.300.300.300.
Heat rate (K/min) 15.10.5.5.3.
Initial hold (min)  3.  5.
Final hold (min)  5.  15.
I 989.983.962.962.994.
ReferenceWanakhachornkrai and Lertsiri, 9999Goeminne, Vandendriessche, et al., 2012Gruzdev, Kuzivanov, et al., 2012Gruzdev, Kuzivanov, et al., 2012, 2Kotowska, Zalikowski, et al., 2012
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5 MSVF-5 MSVF-5 MSHP-5DB-5 MS
Column length (m) 30.60.60.60.25.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.250.320.320.250.20
Phase thickness (μm) 0.250.250.250.250.33
Tstart (C) 50.30.30.35.40.
Tend (C) 320.260.260.220.250.
Heat rate (K/min) 5.2.2.10.10.
Initial hold (min) 5.  1.1.
Final hold (min)  28.28.15. 
I 984.987.989.981.994.
ReferenceNawrath, Mgode, et al., 2012Leffingwell and Alford, 2011Leffingwell and Alford, 2011Piyachaiseth, Jirapakkul, et al., 2011Majcher, Lawrowski, et al., 2010
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5 MSHP-5 MSZB-5RTX-5HP-5 MS
Column length (m) 30.30.30.30.30.
Carrier gas HeliumHeliumHeliumHeHelium
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 70.70.40.40.50.
Tend (C) 290.290.280.250.300.
Heat rate (K/min) 5.5.6.20.10.
Initial hold (min)   1.5.1.
Final hold (min) 10.10.9. 4.
I 978.972.986.979.968.
ReferenceRadulovic, Blagojevic, et al., 2010Radulovic, Dordevic, et al., 2010Harrison and Priest, 2009Pham, Schilling, et al., 2008Bozi, Czagany, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Elite-5MSSPB-5DB-5HP-1HP-1
Column length (m) 30.60.30.50.50.
Carrier gas He HeHeHe
Substrate      
Column diameter (mm) 0.320.320.320.20.2
Phase thickness (μm) 0.51.0.250.330.33
Tstart (C) 40.40.40.60.60.
Tend (C) 280.230.250.250.250.
Heat rate (K/min) 4.3.4.2.2.
Initial hold (min) 5.5.2.4.4.
Final hold (min) 10.5.5.30.30.
I 978.983.980.951.954.
ReferenceTava, Pecetti, et al., 2007Vasta, Ratel, et al., 2007Xu, Fan, et al., 2007Castel, Fernandez, et al., 2006Castel, Fernandez, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-1DB-1MDN-5DB-1
Column length (m) 30.60.60.60.60.
Carrier gas N2HeHeHeHe
Substrate      
Column diameter (mm) 0.320.320.320.250.32
Phase thickness (μm) 1.0.250.250.250.25
Tstart (C) 40.35.35.40.35.
Tend (C) 230.230.230.270.230.
Heat rate (K/min) 6.2.2.4.2.
Initial hold (min) 2.4.4.4.4.
Final hold (min) 15.25.25.5.25.
I 980.957.963.980.957.
ReferenceFan and Qian, 2006Lee, Lee, et al., 2005Lee, Lee, et al., 2005van Loon, Linssen, et al., 2005Park, Lee, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1DB-1DB-1HP-5SPB-5
Column length (m) 60.60.60.30.60.
Carrier gas HeHeHeHeliumHelium
Substrate      
Column diameter (mm) 0.320.320.320.250.32
Phase thickness (μm) 0.250.250.250.251.0
Tstart (C) 35.35.35.50.30.
Tend (C) 230.230.230.280.230.
Heat rate (K/min) 2.2.2.3.3.
Initial hold (min) 4.4.4.3. 
Final hold (min) 25.25.25.20. 
I 961.963.964.992.974.
ReferencePark, Lee, et al., 2004Park, Lee, et al., 2004Park, Lee, et al., 2004Zenkevich, Moeder, et al., 2004Sebastian, Viallon-Fernandez, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5BP-1AT-1SPB-5BP-1
Column length (m) 30.25. 60.50.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.2 0.320.22
Phase thickness (μm) 0.250.1 1.0.75
Tstart (C) 45.40.50.40.50.
Tend (C) 280.250.300.200.200.
Heat rate (K/min) 15.8.10.3.5.
Initial hold (min) 2.5.2.  
Final hold (min) 11.4    
I 989.961.986.978.951.
ReferenceWanakhachornkrai and Lertsiri, 2003Hayes R.A., Richardson B.J., et al., 2002Kelling, 2001Poligné, Collignan, et al., 2001Health Safety Executive, 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Ultra-2BPX-5DB-1DB-1DB-1
Column length (m) 25.50.60.30.60.
Carrier gas  HeHeHeHe
Substrate      
Column diameter (mm) 0.20.220.320.320.25
Phase thickness (μm)  0.251.0.51.
Tstart (C) 40.50.40.35.40.
Tend (C) 300.250.280.200.260.
Heat rate (K/min) 5.3.2.10.2.
Initial hold (min) 4.1.2.1.5.
Final hold (min)  10.40. 60.
I 977.986.973.951.981.
ReferenceQuiroz, Fuentes-Contreras, et al., 1999D'Arcy, Rintoul, et al., 1997Lu, Yu, et al., 1997Robacker and Bartelt, 1997Yu and Ho, 1995
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1DB-1DB5-30WSE-54DB-1
Column length (m) 60.60.30.25.50.
Carrier gas He HeHe 
Substrate      
Column diameter (mm) 0.320.320.250.320.32
Phase thickness (μm) 1.2 0.25  
Tstart (C) 30.50.60.50.0.
Tend (C) 240.230.300.250.250.
Heat rate (K/min) 3.4.5.8.3.
Initial hold (min) 10.  2. 
Final hold (min)  10. 12. 
I 964.957.984.988.954.
ReferenceCiccioli, Cecinato, et al., 1992Binder, Benson, et al., 1990Schwab and Schreier, 1988Harland, Cumming, et al., 1986Habu, Flath, et al., 1985
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillary
Active phase DB-1OV-101OV-101
Column length (m) 50.50.25.
Carrier gas   He
Substrate    
Column diameter (mm) 0.320.32 
Phase thickness (μm)    
Tstart (C) 50.50.75.
Tend (C) 250.225.280.
Heat rate (K/min) 3.4.2.
Initial hold (min)  0.17.
Final hold (min)  30. 
I 948.969.953.
ReferenceHabu, Flath, et al., 1985Stern, Flath, et al., 1985Spiteller and Spiteller, 1979
Comment 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.

Wanakhachornkrai and Lertsiri, 9999
Wanakhachornkrai, P.; Lertsiri, S., Comparison of determination method for volatile compounds in Thai soy sauce, Analytical, Nutritional and Clinical Methods, 9999, 1-11. [all data]

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]

Gruzdev, Kuzivanov, et al., 2012
Gruzdev, I.V.; Kuzivanov, I.M.; Zenkevich, I.G.; Kondratenok, B.M., Gas-chromatographic identification of products formed in iodination of methyl phenols by retention indices, Rus. J. Appl. Chem., 2012, 85, 9, 1355-1365, https://doi.org/10.1134/S1070427212090108 . [all data]

Gruzdev, Kuzivanov, et al., 2012, 2
Gruzdev, I.V.; Kuzivanov, I.M.; Zenkevich, I.G.; Kondratenok, B.M., Gas chromatographic determination of methylsubstituted phenols in aqueous media with preliminary iodination, Rus. J. Anal. Chem., 2012, 68, 2, 175-183. [all data]

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]

Nawrath, Mgode, et al., 2012
Nawrath, T.; Mgode, G.F.; Weetjens, B.; Kaufmann, S.H.E.; Schulz, S., The volatiles of pathogenic and nonpathogenic mycobacteria aand related bacteria, Beilstein J. Org. Chem., 2012, 8, 290-297, https://doi.org/10.3762/bjoc.8.31 . [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]

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]

Radulovic, Blagojevic, et al., 2010
Radulovic, N.; Blagojevic, P.; Palic, R., Comparative study of the leaf volatiles of Arctostaphylos uva-ursi (L.) Spreng. and Vaccinium vitis-idaea L. (Ericaceae), Molecules, 2010, 15, 9, 6168-6185, https://doi.org/10.3390/molecules15096168 . [all data]

Radulovic, Dordevic, et al., 2010
Radulovic, N.; Dordevic, N.; Markovic, M.; Palic, R., Volatile constituents of Glechoma Hirsuta Waldst. Kit. and G. Hederacea L. (Lamiaceae), Bull. Chem. Soc. Ethiop., 2010, 24, 1, 67-76, https://doi.org/10.4314/bcse.v24i1.52962 . [all data]

Harrison and Priest, 2009
Harrison, B.M.; Priest, F.G., Composition of peaks used in the preparation of malt for Scotch Whisky production - influence of geographical source and extraction depth, J. Agric. Food Chem., 2009, 57, 6, 2385-2391, https://doi.org/10.1021/jf803556y . [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]

Bozi, Czagany, et al., 2007
Bozi, J.; Czagany, Z.; Meszaros, E.; Blazso, M., Thermal decomposition of flame retarded polycarbonates, J. Anal. Appl. Pyrolysis, 2007, 79, 1-2, 337-345, https://doi.org/10.1016/j.jaap.2007.01.001 . [all data]

Tava, Pecetti, et al., 2007
Tava, A.; Pecetti, L.; Ricci, M.; Pagnotta, M.A.; Russi, L., Volatile compounds from leaves and flowers of Bituminaria bituminosa (L.) Stirt. (Fabaceae) from Italy, Flavour Fragr. J., 2007, 22, 5, 363-370, https://doi.org/10.1002/ffj.1806 . [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]

Xu, Fan, et al., 2007
Xu, Y.; Fan, W.; Qian, M.C., Characterization of Aroma Compounds in Apple Cider Using Solvent-Assisted Flavor Evaporation and Headspace Solid-Phase Microextraction, J. Agric. Food Chem., 2007, 55, 8, 3051-3057, https://doi.org/10.1021/jf0631732 . [all data]

Castel, Fernandez, et al., 2006
Castel, C.; Fernandez, X.; Lizzani-Cuvelier, L.; Loiseau, A.-M.; Perichet, C.; Delbecque, C.; Arnaudo, J.-F., Volatile constituents of benzoin gums: Siam and Sumatra, part 2. Study of headspace sampling methods, Flavour Fragr. J., 2006, 21, 1, 59-67, https://doi.org/10.1002/ffj.1502 . [all data]

Fan and Qian, 2006
Fan, W.; Qian, M.C., Identification of aroma compounds in Chinese 'Yanghe Daqu' liquor by normal phase chromatography fractionation followed by gas chromatography/olfactometry, Flavour Fragr. J., 2006, 21, 2, 333-342, https://doi.org/10.1002/ffj.1621 . [all data]

Lee, Lee, et al., 2005
Lee, K.-G.; Lee, S.-E.; Takeoka, G.R.; Kim, J.-H.; Park, B.-S., Antioxidant activity and characterization of volatile constituents of beechwood creosote, J. Sci. Food Agric., 2005, 85, 9, 1580-1586, https://doi.org/10.1002/jsfa.2156 . [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]

Park, Lee, et al., 2004
Park, B.-S.; Lee, K.-G.; Takeoka, G.R., Comparison of three sample preparation methods on the recovery of volatiles from taheebo (Tabebuia impetiginosa Martius ex DC), Flavour Fragr. J., 2004, 19, 4, 287-292, https://doi.org/10.1002/ffj.1345 . [all data]

Zenkevich, Moeder, et al., 2004
Zenkevich, I.G.; Moeder, M.; Koeller, G.; Schrader, S., Using new structurally related additive schemes in the precalculation of gas chromatographic retention indices of polychlorinated hydroxybiphenyls on HP-5 stationary phase, J. Chromatogr. A, 2004, 1025, 2, 227-236, https://doi.org/10.1016/j.chroma.2003.10.106 . [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]

Wanakhachornkrai and Lertsiri, 2003
Wanakhachornkrai, P.; Lertsiri, S., Analytical, nutritional, and clinical methods. Comparison of determination method for volatile compounds in Thai soy sauce, Food Chem., 2003, 83, 4, 619-629, https://doi.org/10.1016/S0308-8146(03)00256-5 . [all data]

Hayes R.A., Richardson B.J., et al., 2002
Hayes R.A.; Richardson B.J.; Claus S.C.; Wyllie S.G., Semiochemicals and social signaling in the wild European rabbit in Australia: II. Variations in chemical composition of chin gland secretion across sampling sites, J. Chem. Ecol., 2002, 28, 12, 2613-2625, https://doi.org/10.1023/A:1021452623055 . [all data]

Kelling, 2001
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Poligné, Collignan, et al., 2001
Poligné, I.; Collignan, A.; Trystram, G., Characterization of traditional processing of pork meat into boucané, Meat Sci., 2001, 59, 4, 377-389, https://doi.org/10.1016/S0309-1740(01)00090-0 . [all data]

Health Safety Executive, 2000
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Quiroz, Fuentes-Contreras, et al., 1999
Quiroz, A.; Fuentes-Contreras, E.; Ramírez, C.C.; Russell, G.B.; Niemeyer, H.M., Host-plant chemicals and distribution of Neuquenaphis ON Nothofagus, J. Chem. Ecol., 1999, 25, 5, 1043-1054, https://doi.org/10.1023/A:1020825707922 . [all data]

D'Arcy, Rintoul, et al., 1997
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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]

Robacker and Bartelt, 1997
Robacker, D.C.; Bartelt, R.J., Chemicals attractive to Mexican fruit fly from Klebsiella pneumoniae and Citrobacter freundii cultures sampled by solid-phase microextraction MICROEXTRACTION, J. Chem. Ecol., 1997, 23, 12, 2897-2915, https://doi.org/10.1023/A:1022579414233 . [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]

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]

Binder, Benson, et al., 1990
Binder, R.G.; Benson, M.E.; Flath, R.A., Volatile Components of Safflower, J. Agric. Food Chem., 1990, 38, 5, 1245-1248, https://doi.org/10.1021/jf00095a020 . [all data]

Schwab and Schreier, 1988
Schwab, W.; Schreier, P., Simultaneous enzyme catalysis extraction: A versatile technique for the study of flavor precursors, J. Agric. Food Chem., 1988, 36, 6, 1238-1242, https://doi.org/10.1021/jf00084a028 . [all data]

Harland, Cumming, et al., 1986
Harland, B.J.; Cumming, R.I.; Gillings, E., The Kovats indexes of some organic micropollutants on an SE54 capillary column, EUR, I Org. Micropollut. Aquat. Environ., 1986, EUR 10388, 123-127. [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]

Stern, Flath, et al., 1985
Stern, D.J.; Flath, R.A.; Mon, T.R.; Teranishi, R.; Lundin, R.E.; Benson, M.E., Crude oleic acid volatiles, J. Agric. Food Chem., 1985, 33, 2, 180-184, https://doi.org/10.1021/jf00062a005 . [all data]

Spiteller and Spiteller, 1979
Spiteller, M.; Spiteller, G., Trennung und charakterisierung saurer harnbest and- teile, J. Chromatogr., 1979, 164, 3, 253-317, https://doi.org/10.1016/S0378-4347(00)81232-3 . [all data]


Notes

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