Styrene

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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 Polydimethyl siloxane: CP-Sil 5 CBVF-5 MSVF-5 MSHP-5Ultra-ALLOY-5
Column length (m) 60.60.60.60.30.
Carrier gas HeliumHeliumHeliumHelium 
Substrate      
Column diameter (mm) 0.250.320.320.250.25
Phase thickness (μm) 1.00.250.250.250.25
Tstart (C) 45.30.30.35.40.
Tend (C) 210.260.260.220.320.
Heat rate (K/min) 3.62.2.10.20.
Initial hold (min) 1.45  1.2.
Final hold (min) 2.7228.28.15.13.
I 878.890.892.893.896.
ReferenceBramston-Cook, 2013Leffingwell and Alford, 2011Leffingwell and Alford, 2011Piyachaiseth, Jirapakkul, et al., 2011Tsuge, Ohtan, et al., 2011
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase ZB-5RTX-5 MSVF-5MSHP-1HP-1
Column length (m) 30.30.30.50.50.
Carrier gas HeliumHelium HeHe
Substrate      
Column diameter (mm) 0.250.250.250.20.2
Phase thickness (μm) 0.250.500.250.330.33
Tstart (C) 40.35.40.60.60.
Tend (C) 280.225.250.250.250.
Heat rate (K/min) 6.6.7.2.2.
Initial hold (min) 1.5. 4.4.
Final hold (min) 9.10. 30.30.
I 893.895.890.877.871.
ReferenceHarrison and Priest, 2009Watcharananun, Cadwallader, et al., 2009Ghiasvand, Setkova, 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 HP-1HP-1HP-1BPX-5HP-5
Column length (m) 50.50.50.25.30.
Carrier gas HeHeHeHelium 
Substrate      
Column diameter (mm) 0.20.20.20.200.25
Phase thickness (μm) 0.330.50.330.130.25
Tstart (C) 60.60.60.50.40.
Tend (C) 250.250.250.230.220.
Heat rate (K/min) 2.2.2.3.4.
Initial hold (min) 4. 4.2.5.
Final hold (min) 30.120.30. 10.
I 878.872.872.887.874.
ReferenceCastel, Fernandez, et al., 2006Castel, Fernandez, et al., 2006, 2Castel, Fernandez, et al., 2006, 2Fons, Rapior, et al., 2006Jiménez, Aguilera, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Ultra-2FSOT-RSL-200HP-5HP-1HP-5
Column length (m) 50.30.30.50.60.
Carrier gas HeHydrogenHe He
Substrate      
Column diameter (mm) 0.250.320.250.20.32
Phase thickness (μm) 0.320.250.250.250.25
Tstart (C) 50.40.60.60.30.
Tend (C) 270.280.250.250.260.
Heat rate (K/min) 2.6.10.2.2.
Initial hold (min)  5.2.60.2.
Final hold (min)  5.10. 28.
I 895.897.895.878.891.4
ReferenceSchlumpberger B.O., Clery R.A., et al., 2006Schmidt, Jirovetz, et al., 2006Wang, Yang, et al., 2006Fernandez, Lizzani-Cuvelier, et al., 2005Leffingwell and Alford, 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase MDN-5SPB-5DB-5HP-1SPB-5
Column length (m) 60.30.30.50.30.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.20.32
Phase thickness (μm) 0.250.250.250.50.25
Tstart (C) 40.60.60.60.40.
Tend (C) 270.250.240.220.220.
Heat rate (K/min) 4.4.3.2.5.
Initial hold (min) 4.2.  1.
Final hold (min) 5.20. 45.20.
I 893.880.889.876.895.
Referencevan Loon, Linssen, et al., 2005Pino, Marbot, et al., 2005Tellez, Khan, et al., 2004Fernandez, Lizzani-Cuvelier, et al., 2003Ledauphin, Guichard, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5SPB-1HP-5BP-1Methyl Silicone
Column length (m) 30.30.60.50.60.
Carrier gas H2HeHeHe 
Substrate      
Column diameter (mm) 0.250.250.320.220.25
Phase thickness (μm) 0.250.251.0.750.25
Tstart (C) 60.40.40.50.40.
Tend (C) 280.200.240.200.220.
Heat rate (K/min) 4.3.3.5.5.
Initial hold (min) 10.10.  10.
Final hold (min) 40.    
I 891.870.897.881.873.29
ReferencePino, Marbot, et al., 2003Vichi, Pizzale, et al., 2003García, Martín, et al., 2000Health Safety Executive, 2000Baraldi, Rapparini, et al., 1999
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5OV-1OV-1OV-101DB-5
Column length (m) 30.  50.60.
Carrier gas    Helium 
Substrate      
Column diameter (mm) 0.32  0.200.32
Phase thickness (μm) 1.  0.501.
Tstart (C) 40.50.50.30.40.
Tend (C) 200.160.160.100.200.
Heat rate (K/min) 3.2.2.1.3.
Initial hold (min) 5.  6.5.
Final hold (min)     2.
I 892.875.877.875.893.
ReferenceMeynier, Novelli, et al., 1999Orav, Kailas, et al., 1999Orav, Kailas, et al., 1999Orav, Kailas, et al., 1999, 2Kondjoyan, Viallon, et al., 1997
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5SPB-1HP-5SP-2100DB-1
Column length (m) 60.50. 30.30.
Carrier gas  He HeHe
Substrate      
Column diameter (mm) 0.320.2 0.250.25
Phase thickness (μm) 1.0.33  0.25
Tstart (C) 40.40.35.40.50.
Tend (C) 200.200.200.280.240.
Heat rate (K/min) 3.3.6.5.5.
Initial hold (min) 5.3.2.3.3.
Final hold (min) 2.30.   
I 895.872.895.877.873.
ReferenceKondjoyan, Viallon, et al., 1997Wong and Lai, 1996Larsen and Frisvad, 1995Fischer and Kusch, 1993Shiota, 1993
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1OV-101DB-1DB-1DB-1
Column length (m) 30.54.60.60.60.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.260.320.250.25
Phase thickness (μm) 0.25 1.20.250.25
Tstart (C) 50.50.30.50.50.
Tend (C) 240.230.240.240.240.
Heat rate (K/min) 5.3.3.3.3.
Initial hold (min) 3. 10.  
Final hold (min)      
I 880.875.878.878.880.
ReferenceShiota, 1993Zenkevich and Kulikova, 1993Ciccioli, Cecinato, et al., 1992Shiota, 1991Shiota, 1991
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase OV-101HP-5HP-5BP-1SE-30
Column length (m) 54.50.50.25.50.
Carrier gas HeliumH2H2NitrogenHe
Substrate      
Column diameter (mm) 0.260.30.30.330.5
Phase thickness (μm)    1.00 
Tstart (C) 50.80.80.30.40.
Tend (C) 240.250.250.150.170.
Heat rate (K/min) 5.16.16.5.3.
Initial hold (min) 0.  4.3.
Final hold (min) 0.    
I 883.874.893.866.869.
ReferenceZenkevich and Ventura, 1991Spadone, Takeoka, et al., 1990Spadone, Takeoka, et al., 1990Wilkins and Scholl, 1989Heydanek and McGorrin, 1981
Comment MSDC-RI 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.

Bramston-Cook, 2013
Bramston-Cook, R., Kovats indices for C2-C13 hydrocarbons and selected oxygenated/halocarbons with 100 % dimethylpolysiloxane columns, 2013, retrieved from http://lotusinstruments.com/monographs/List .... [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]

Tsuge, Ohtan, et al., 2011
Tsuge, S.; Ohtan, H.; Watanabe, C., Pyrolysis - GC/MS Data Book of Synthetic Polymers, Elsevier, 2011, 420. [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]

Watcharananun, Cadwallader, et al., 2009
Watcharananun, W.; Cadwallader, K.R.; Huangrak, K.; Kim, H.; Lorjaroenphon, Y., Identification of predominant odorants in Thai desserts flavored by smoking with Tian Op, a traditional Thai scented candle, J. Agric. Food Chem., 2009, 57, 3, 996-1005, https://doi.org/10.1021/jf802674c . [all data]

Ghiasvand, Setkova, et al., 2007
Ghiasvand, A.R.; Setkova, L.; Pawliszyn, J., Determination of flavour profile in Iranian fragrant rice samples using cold-fibre SPME-GC-TOF-MS, Flavour Fragr. J., 2007, 22, 5, 377-391, https://doi.org/10.1002/ffj.1809 . [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]

Castel, Fernandez, et al., 2006, 2
Castel, C.; Fernandez, X.; Lizzani-Cuvelier, L.; Perichet, C.; Lavoine, S., Characterization of the Chemical Composition of a Byproduct from Siam Benzoin Gum, J. Agric. Food Chem., 2006, 54, 23, 8848-8854, https://doi.org/10.1021/jf061193y . [all data]

Fons, Rapior, et al., 2006
Fons, F.; Rapior, S.; Fruchier, A., Volatile composition of Clitocybe amoenolens, Tricholoma caligatum and Hebeloma radicosum, Cryptogamie, Mycologie, 2006, 27, 1, 45-55. [all data]

Jiménez, Aguilera, et al., 2006
Jiménez, A.; Aguilera, M.P.; Beltrán, G.; Uceda, M., Application of solid-phase microextraction to virgin olive oil quality control, J. Chromatogr. A, 2006, 1121, 1, 140-144, https://doi.org/10.1016/j.chroma.2006.05.005 . [all data]

Schlumpberger B.O., Clery R.A., et al., 2006
Schlumpberger B.O.; Clery R.A.; Barthlott W., A unique cactus with scented and possibly bat-dispersed fruits: Rhipsalis juengeri, Plant Biology, 2006, 8, 2, 265-270, https://doi.org/10.1055/s-2005-873045 . [all data]

Schmidt, Jirovetz, et al., 2006
Schmidt, E.; Jirovetz, L.; Buchbauer, G.; Eller, G.A.; Stoilova, I.; Krastanov, A.; Stoyanova, A.; Geisseler, M., Composition and antioxidant activities of the essential oil of cinnamon (Cinnamomum zeylanicum Blume) leaves from Sri Lanka, Jeobp, 2006, 9, 2, 170-182. [all data]

Wang, Yang, et al., 2006
Wang, Q.; Yang, Y.; Zhao, X.; Zhu, B.; Nan, P.; Zhao, J.; Wang, L.; Chen, F.; Liu, Z.; Zhong, Y., Chemical variation in the essential oil of Ephedra sinica from Northeastern China, Food Chem., 2006, 98, 1, 52-58, https://doi.org/10.1016/j.foodchem.2005.04.033 . [all data]

Fernandez, Lizzani-Cuvelier, et al., 2005
Fernandez, X.; Lizzani-Cuvelier, L.; Loiseau, A.-M.; Perichet, C.; Delbecque, C.; Arnaudo, J.-F., Chemical composition of the essential oils from Turkish and Honduras Styrax, Flavour Fragr. J., 2005, 20, 1, 70-73, https://doi.org/10.1002/ffj.1370 . [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]

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]

Pino, Marbot, et al., 2005
Pino, J.A.; Marbot, R.; Rosado, A.; Vázquez, C., Volatile constituents of genipap (Genipa americana L.) fruit from Cuba, Flavour Fragr. J., 2005, 20, 6, 583-586, https://doi.org/10.1002/ffj.1491 . [all data]

Tellez, Khan, et al., 2004
Tellez, M.R.; Khan, I.A.; Schaneberg, B.T.; Crockett, S.L.; Rimando, A.M.; Kobaisy, M., Steam distillation-solid-phase microextraction for the detection of Ephedra sinica in herbal preparations, J. Chromatogr. A, 2004, 1025, 1, 51-56, https://doi.org/10.1016/S0021-9673(03)01035-5 . [all data]

Fernandez, Lizzani-Cuvelier, et al., 2003
Fernandez, X.; Lizzani-Cuvelier, L.; Loiseau, A.-M.; Périchet, C.; Delbecque, C., Volatile constituents of benzoin gums: Siam and Sumatra. Part 1., Flavour Fragr. J., 2003, 18, 4, 328-333, https://doi.org/10.1002/ffj.1230 . [all data]

Ledauphin, Guichard, et al., 2003
Ledauphin, J.; Guichard, H.; Saint-Clair, J.-F.; Picoche, B.; Barillier, D., Chemical and sensorial aroma characterization of freshly distilled calvados. 2. Identification of volatile compounds and key odorants, J. Agric. Food Chem., 2003, 51, 2, 433-442, https://doi.org/10.1021/jf020373e . [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, 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]

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]

Health Safety Executive, 2000
Health Safety Executive, MDHS 96 Volatile organic compounds in air - Laboratory method using pumed solid sorbent tubes, solvent desorption and gas chromatography in Methods for the Determination of Hazardous Substances (MDHS) guidance, Crown, Colegate, Norwich, 2000, 1-24, retrieved from http://www.hse.gov.uk/pubns/mdhs/pdfs/mdhs96.pdf. [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]

Meynier, Novelli, et al., 1999
Meynier, A.; Novelli, E.; Chissolinim, R.; Zanardi, E.; Gandemer, G., Volatile compounds of commercial Milano salami, Meat Sci., 1999, 51, 2, 175-183, https://doi.org/10.1016/S0309-1740(98)00122-3 . [all data]

Orav, Kailas, et al., 1999
Orav, A.; Kailas, T.; Muurisepp, M.; Kann, J., Composition of the oil from waste tires. 2. Fraction boiling at 160-180 0C, Proc. Estonian Acad. Sci. Chem., 1999, 48, 3, 136-140. [all data]

Orav, Kailas, et al., 1999, 2
Orav, A.; Kailas, T.; Muurisepp, M.; Kann, J., Composition of the oil from waste tires. 1. Fraction boiling at yp to 160 0C, Proc. Estonian Acad. Sci. Chem., 1999, 48, 1, 30-39. [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]

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]

Larsen and Frisvad, 1995
Larsen, T.O.; Frisvad, J.C., Characterization of volatile metabolites from 47 Penicillium taxa, Mycol. Res., 1995, 99, 10, 1153-1166, https://doi.org/10.1016/S0953-7562(09)80271-2 . [all data]

Fischer and Kusch, 1993
Fischer, G.W.; Kusch, P., An Automated Curie-Point Pyrolysis-High Resolution Gas Chromatography System, LC-GC Int., 1993, 6, 12, 760-763. [all data]

Shiota, 1993
Shiota, H., New esteric components in the volatiles of banana fruit (Musa sapientum L.), J. Agric. Food Chem., 1993, 41, 11, 2056-2062, https://doi.org/10.1021/jf00035a046 . [all data]

Zenkevich and Kulikova, 1993
Zenkevich, I.G.; Kulikova, S.N., GC-MS Analysis of Products of Reactions of Unsaturated Compounds with Dimethyl Disulfide for Determination of Position of Double Bonds C=C, Vestnik St. Petersburg University. Ser. phys-khim., 1993, 2, 59-69. [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]

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]

Zenkevich and Ventura, 1991
Zenkevich, I.G.; Ventura, K., Gas Chromatographic Identification of Volatile Products of Thermal Degradation of Bitumen, Zh. Prikl. Khim. (Rus.), 1991, 9, 1974-1979. [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]

Wilkins and Scholl, 1989
Wilkins, C.K.; Scholl, S., Volatile metabolites of some barley storage molds, Internat. J. Food Microbiol., 1989, 8, 1, 11-17, https://doi.org/10.1016/0168-1605(89)90075-5 . [all data]

Heydanek and McGorrin, 1981
Heydanek, M.G.; McGorrin, R.J., Gas chromatography-mass spectroscopy investigations on the flavor chemistry of oat groats, J. Agric. Food Chem., 1981, 29, 5, 950-954, https://doi.org/10.1021/jf00107a016 . [all data]


Notes

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