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Phenol

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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 MSSLB-5 MSPolydimethyl siloxane with 5 % Ph groupsPolydimethyl siloxane with 5 % Ph groupsRTX-5 MS
Column length (m) 30.30.  30.
Carrier gas HeliumHelium  Helium
Substrate      
Column diameter (mm) 0.250.25  0.25
Phase thickness (mum) 0.250.25  0.25
Program not specifiednot specifiednot specifiednot specified50 0C (5 min) 2 0C/min -> 100 0C (5 min) 5 0C/min -> 300 0C
I 982.982.979.995.987.
ReferenceKotowska, Zalikowski, et al., 2012Mondello, 2012Robinson, Adams, et al., 2012Robinson, Adams, et al., 2012Mebazaa, Mahmoudi, et al., 2009
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase RTX-5 MSZB-5NonpolarNonpolarNonpolar
Column length (m) 30.30.   
Carrier gas HeliumHelium   
Substrate      
Column diameter (mm) 0.250.25   
Phase thickness (mum) 0.250.25   
Program not specified45 0C 3 0C/min -> 230 0C (10 min) 10 0C/min -> 270 0C (21 min)not specifiednot specifiednot specified
I 980.983.969.976.976.
ReferenceMebazaa, Mahmoudi, et al., 2009de Simon, Estruelas, et al., 2009Staples and Zeiger, 2008Staples and Zeiger, 2008Staples and Zeiger, 2008
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase NonpolarNonpolarNonpolarHP-5HP-5
Column length (m)    30.30.
Carrier gas      
Substrate      
Column diameter (mm)    0.250.25
Phase thickness (mum)    0.250.25
Program not specifiednot specifiednot specified40 0C (2 min) 5 0C/min -> 80 0C 7 oC/min -> 160 0C 9 0C/min -> 200 0C 20 0C/min -> 280 0C (10 min)not specified
I 976.976.977.986.989.
ReferenceStaples and Zeiger, 2008Staples and Zeiger, 2008Staples and Zeiger, 2008Zhao, Li, et al., 2008Zhao, Li, et al., 2008
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5 MSDB-5 MSHP-5OV-101RTX-5
Column length (m) 30.30.30. 30.
Carrier gas HeliumHeliumHe N2
Substrate      
Column diameter (mm) 0.250.250.32 0.25
Phase thickness (mum) 0.250.250.25 0.25
Program 50 0C (2.8 min) 5.5 0C/min -> 140 0C (1 min) 4.5 oC/min -> 220 0C -> 225 0C (2 min) 3.4 0C/min -> 265 0C (5 min)50 0C (2.8 min) 5.5 0C/min -> 140 0C (1 min) 4.5 oC/min -> 220 0C -> 225 0C (2 min) 3.4 0C/min -> 265 0C (5 min)40 0C (2 min) 110 0C (2 min) 3 0C/min -> 170 0C (2 min) 4 0C/min -> 220 0C (2 min) 10 0C/min -> 260 0C (5 min)not specifiednot specified
I 974.976.984.952.980.
ReferenceZhu, Li, et al., 2008Zhu, Li, et al., 2008Dou, Li, et al., 2007Ebrahimi and Hadjmohammadi, 2006Ádámová, Orinák, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase RTX-5SE-30SPB-5CP Sil 5 CBDB-5MS
Column length (m) 30. 60.50. 
Carrier gas N2    
Substrate      
Column diameter (mm) 0.25 0.320.32 
Phase thickness (mum) 0.25 1.1.2 
Program not specifiednot specifiednot specified36C => 20C/min => 85C => 1C/min => 145C=3C/min => 250C(30min)not specified
I 980.1002.977.961.973.
ReferenceÁdámová, Orinák, et al., 2005Vinogradov, 2004Begnaud, Pérès, et al., 2003Counet, Callemien, et al., 2002Fu, Yoon, et al., 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Methyl phenyl siloxane (not specified)HP-5MSDB-5 MSHP-5CP Sil 5 CB
Column length (m)  30.30.30.50.
Carrier gas  HeHeliumHeHe
Substrate      
Column diameter (mm)  0.250.250.250.32
Phase thickness (mum)  0.251.00.25 
Program not specified40C (10min) => 3C/min => 120C => 10C/min => 250C (5min)not specified40C (10min) => 3C/min => 120C => 10C/min => 250C (5min)30C => 55C/min => 85C => 1C/min => 145C => 3C/min => 250C
I 976.995.984.987.956.
ReferencePoligne, Collignan, et al., 2002Ansorena, Gimeno, et al., 2001Luo and Agnew, 2001Ansorena, Astiasarán, et al., 2000Guyot, Scheirman, et al., 1999
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP Sil 5 CBDB-5DB-5DB-5DB-1
Column length (m) 50.50.50.50.30.
Carrier gas HeHeHeHe 
Substrate      
Column diameter (mm) 0.320.320.320.320.53
Phase thickness (mum) 1.20.250.250.251.5
Program 30C => 55C/min => 85C => 1C/min => 145C => 3C/min => 250C40C(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 (4 min) 8 0C/min -> 200 0C (1 min) 5 0C/min -> 280 0C (20 min)
I 962.985.982.983.962.
ReferenceGuyot, Bouseta, et al., 1998Mateo, Aguirrezábal, et al., 1997Mateo and Zumalacárregui, 1996Mateo and Zumalacárregui, 1996Peng, 1996
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase RSL-150DB-1DB-1SE-54DB-1
Column length (m) 60.60.100.50.60.
Carrier gas He  He 
Substrate      
Column diameter (mm) 0.320.320.250.320.25
Phase thickness (mum) 0.250.250.5 0.25
Program 30c (1.5min) => 20C/min => 55C => 6C/min => 200C(10min)not specifiednot specified35 0C (5 min) 8 0C/min -> 200 0C 2 0C/min -> 250 0Cnot specified
I 1002.964.961.982.961.
ReferenceBuchbauer, Nikiforov, et al., 1994Ciccioli, Cecinato, et al., 1994Hathcock and Bertsch, 1993Um, Bailey, et al., 1992Kawai, Ishida, et al., 1991
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1Polydimethyl siloxane, unknown content of Ph-groupsPolydimethyl siloxane, unknown content of Ph-groupsOV-1OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.
Column length (m) 60.  50.50.
Carrier gas    HydrogenHydrogen
Substrate      
Column diameter (mm) 0.25  0.320.32
Phase thickness (mum) 0.25    
Program not specifiednot specifiednot specifiednot specifiednot specified
I 964.973.987.959.926.
ReferenceKawai, Ishida, et al., 1991Geldon, 1989Geldon, 1989Waggott and Davies, 1984Waggott and Davies, 1984
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type Other
Active phase Methyl Silicone
Column length (m)  
Carrier gas  
Substrate  
Column diameter (mm)  
Phase thickness (mum)  
Program not specified
I 981.
ReferenceArdrey and Moffat, 1981
Comment MSDC-RI

References

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]

Mondello, 2012
Mondello, L., HS-SPME-GCxGC-MS analysis of Yerba Mate (Ilex paraguariensis) in Shimadzu GC-GC application compendium of comprehensive 2D GC, Vol. 1-5, Shimadzu Corp., 2012, 1-29. [all data]

Robinson, Adams, et al., 2012
Robinson, A.L.; Adams, D.O.; Boss, P.K.; Heymann, H.; Solomon, P.S.; Trengove, R.D., Influence of geographic origine on the sensory characteristics and wine composition of Vitus viniferas cv. Cabernet Sauvignon wines from Australia (Supplemental data), Am. J. Enol. Vitic., 2012, 64, 4, 467-476, https://doi.org/10.5344/ajev.2012.12023 . [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]

de Simon, Estruelas, et al., 2009
de Simon, B.F.; Estruelas, E.; Munoz, A.M.; Cadahia, E.; Sanz, M., Volatile compounds in acacia, chestnut, cherry, ash, and oak woods, with a view to their use in cooperage, J. Agric. Food Chem., 2009, 57, 8, 3217-3227, https://doi.org/10.1021/jf803463h . [all data]

Staples and Zeiger, 2008
Staples, E.; Zeiger, K., On-Site Measurements of VOCs and Odors from Metal Casting Operations Using an Ultra-Fast Gas Chromatograph, 2008, retrieved from http://www.estcal.com/TechPapers/Industrial/FoundryOdors.doc. [all data]

Zhao, Li, et al., 2008
Zhao, Y.; Li, J.; Xu, Y.; Duan, H.; Fan, W.; Zhao, G., EXtraction, preparation and identification of volatile compounds in Changyu XO brandy, Chinese J. Chromatogr., 2008, 26, 2, 212-222, https://doi.org/10.1016/S1872-2059(08)60014-0 . [all data]

Zhu, Li, et al., 2008
Zhu, M.; Li, E.; He, H., Determination of volatile chemical constitutes in tea by simultaneous distillation extraction, vacuum hydrodistillation and thermal desrption, Chromatographia, 2008, 68, 7/8, 603-610, https://doi.org/10.1365/s10337-008-0732-1 . [all data]

Dou, Li, et al., 2007
Dou, H.-L.; Li, C.-M.; Gu, H.-F.; Hao, J.-F., Comparative analysis on aromatic components of green tea and fresh green tea beverage using HS-SPME/GC-MS/GC-olfactometry/RI methods, Journal of Tea Science, 2007, 27, 1, 51-60. [all data]

Ebrahimi and Hadjmohammadi, 2006
Ebrahimi, P.; Hadjmohammadi, M.R., Simultaneous modeling of the Kovats retention indices on phenyl OV stationary phases with different polarity using MLR and ANN, QSAR Comb. Sci., 2006, 25, 10, 836-845, https://doi.org/10.1002/qsar.200530145 . [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]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [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]

Fu, Yoon, et al., 2002
Fu, S.-G.; Yoon, Y.; Basemore, R., Aroma-actie components in fermented bamboo shoots, J. Agric. Food Chem., 2002, 50, 3, 549-554, https://doi.org/10.1021/jf010883t . [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]

Ansorena, Gimeno, et al., 2001
Ansorena, D.; Gimeno, O.; Astiasarán, I.; Bello, J., Analysis of volatile compounds by GC-MS of a dry fermented sausage: chorizo de Pamplona, Food Res. Int., 2001, 34, 1, 67-75, https://doi.org/10.1016/S0963-9969(00)00133-2 . [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]

Ansorena, Astiasarán, et al., 2000
Ansorena, D.; Astiasarán, I.; Bello, J., Influence of the simultaneous addition of the protease flavourzyme and the lipase novozyme 677BG on dry fermented sausage compounds extracted by SDE and analyzed by GC-MS, J. Agric. Food Chem., 2000, 48, 6, 2395-2400, https://doi.org/10.1021/jf990931y . [all data]

Guyot, Scheirman, et al., 1999
Guyot, C.; Scheirman, V.; Collin, S., Floral origin markers of heather honeys: Calluna vulgaris and Erica arborea, Food Chem., 1999, 64, 1, 3-11, https://doi.org/10.1016/S0308-8146(98)00122-8 . [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]

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]

Peng, 1996
Peng, C.T., Gas chromatographic identification of aromatic hydrocarbons in Liquid Scintillation Spectrometry, Cook, G.T.; Harkness, D.D.; MacKenzie, A.B.; Miller, B.F.; Scott, E.M., ed(s)., 1996, 221-232. [all data]

Buchbauer, Nikiforov, et al., 1994
Buchbauer, G.; Nikiforov, A.; Remberg, B., Headspace constituents of opium, Planta Medica, 1994, 60, 2, 181-183, https://doi.org/10.1055/s-2006-959447 . [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]

Hathcock and Bertsch, 1993
Hathcock, S.; Bertsch, W., Analysis of volatiles associated with industrial scale processing of expanded polystyrene. Part II: Identification and quantitation, J. Hi. Res. Chromatogr., 1993, 16, 11, 651-659, https://doi.org/10.1002/jhrc.1240161106 . [all data]

Um, Bailey, et al., 1992
Um, K.W.; Bailey, M.E.; Clarke, A.D.; Chao, R.R., Concentration and identification of volatile compounds from heated beef fat using supercritical CO2 extraction-gas liquid chromatography/mass spectrometry, J. Agric. Food Chem., 1992, 40, 9, 1641-1646, https://doi.org/10.1021/jf00021a033 . [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]

Geldon, 1989
Geldon, A.L., Ground Water Hydrology of the Central Raton Basin, Colorado and New Mexico, US Geological Survey, US Government Printing Office, 1989, 104. [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]

Ardrey and Moffat, 1981
Ardrey, R.E.; Moffat, A.C., Gas-liquid chromatographic retention indices of 1318 substances of toxicological interest on SE-30 or OV-1 stationary phase, J. Chromatogr., 1981, 220, 3, 195-252, https://doi.org/10.1016/S0021-9673(00)81925-1 . [all data]


Notes

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