o-Xylene

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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 Polydimethyl siloxane: CP-Sil 5 CBHP-5 MSPetrocol DHDB-5VF-5 MS
Column length (m) 60.30.100.30.60.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.250.250.250.320.32
Phase thickness (μm) 1.00.250.500.250.25
Tstart (C) 45.35.20.40.30.
Tend (C) 210.300.220.250.260.
Heat rate (K/min) 3.63.15.8.2.
Initial hold (min) 1.455.15.2. 
Final hold (min) 2.7215.30.5.28.
I 883.889.881.890.891.
ReferenceBramston-Cook, 2013Kotowska, Zalikowski, et al., 2012Supelco, 2012Czerny, Brueckner, et al., 2011Leffingwell and Alford, 2011
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase VF-5 MSZB-5PONASPB-5SPB-5
Column length (m) 60.30.50.60.60.
Carrier gas HeliumHeliumNitrogen  
Substrate      
Column diameter (mm) 0.320.250.200.320.32
Phase thickness (μm) 0.250.250.501.1.
Tstart (C) 30.40.35.40.40.
Tend (C) 260.280.200.230.230.
Heat rate (K/min) 2.6.2.3.3.
Initial hold (min)  1.15.5.5.
Final hold (min) 28.9.10.5.5.
I 893.896.883.898.901.
ReferenceLeffingwell and Alford, 2011Harrison and Priest, 2009Zhang, Ding, et al., 2009Vasta, Ratel, et al., 2007Vasta, Ratel, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SPB-5HP-1HP-1SPB-5HP-5
Column length (m) 60.50.50.30.30.
Carrier gas  N2HeHeliumHelium
Substrate      
Column diameter (mm) 0.320.20.20.250.32
Phase thickness (μm) 1.0.330.50.250.25
Tstart (C) 40.60.60.60.40.
Tend (C) 230.250.250.250.300.
Heat rate (K/min) 3.2.2.4.4.
Initial hold (min) 5.  2. 
Final hold (min) 5.20.120.20.5.
I 898.876.882.884.885.
ReferenceVasta, Ratel, et al., 2007Berlioz, Cordella, et al., 2006Castel, Fernandez, et al., 2006Pino, Marquez, et al., 2006Utsunomia, Kawata, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-15 % Phenyl methyl siloxaneDB-5SPB-5SPB-1
Column length (m) 50.0.30.60.30.
Carrier gas N2HeH2HeliumHe
Substrate      
Column diameter (mm) 0.20.250.250.320.25
Phase thickness (μm) 0.331.0.251.00.25
Tstart (C) 60.40.60.30.40.
Tend (C) 250.250.280.230.200.
Heat rate (K/min) 2.7.4.3.3.
Initial hold (min)  10.10. 10.
Final hold (min) 20.5.40.  
I 878.868.901.901.871.
ReferenceCavalli, Fernandez, et al., 2004Ramírez, Estévez, et al., 2004Pino, Marbot, et al., 2003Sebastian, Viallon-Fernandez, et al., 2003Vichi, Castellote, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SPB-1HP-5SPB-5SPB-5DB-5
Column length (m) 30.30.60.30.30.
Carrier gas He HeHeliumHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.25 0.250.250.25
Tstart (C) 40.50.50.60.60.
Tend (C) 200.200.240.250.240.
Heat rate (K/min) 3.3.5.4.3.
Initial hold (min) 10. 3.2. 
Final hold (min)   10.20. 
I 873.890.899.896.896.
ReferenceVichi, Pizzale, et al., 2003Isidorov and Jdanova, 2002Kim and Lee, 2002Pino, Marbot, et al., 2002Tellez, Schrader, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5BP-1Methyl SiliconeHP-5OV-1
Column length (m) 60.50.60.25. 
Carrier gas HeHe   
Substrate      
Column diameter (mm) 0.320.220.250.20 
Phase thickness (μm) 1.0.750.250.33 
Tstart (C) 40.50.40.50.50.
Tend (C) 240.200.220.180.160.
Heat rate (K/min) 3.5.5.5.2.
Initial hold (min)   10.3. 
Final hold (min)      
I 902.887.877.74896.881.
ReferenceGarcía, Martín, et al., 2000Health Safety Executive, 2000Baraldi, Rapparini, et al., 1999Jung, Wichmann, et al., 1999Orav, Kailas, et al., 1999
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase OV-101DB-5DB-5SE-54HP-5
Column length (m) 50.60.60.50.30.
Carrier gas Helium   He
Substrate      
Column diameter (mm) 0.200.320.320.320.25
Phase thickness (μm) 0.501.1. 0.25
Tstart (C) 30.40.40.60.35.
Tend (C) 100.200.200.200.300.
Heat rate (K/min) 1.3.3.4.10.
Initial hold (min) 6.5.5.2.2.
Final hold (min)  2.2. 10.
I 877.896.898.860.896.5
ReferenceOrav, Kailas, et al., 1999, 2Kondjoyan, Viallon, et al., 1997Kondjoyan, Viallon, et al., 1997Guan, Li, et al., 1995Wang and Fingas, 1995
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-1DB-1DB-1OV-1
Column length (m) 30.30.30.60.50.
Carrier gas H2HeHeHeH2
Substrate      
Column diameter (mm) 0.320.250.250.320.32
Phase thickness (μm) 1.0.250.251.20.52
Tstart (C) 40.50.50.30.30.
Tend (C) 220.240.240.240. 
Heat rate (K/min) 3.5.5.3.1.
Initial hold (min)  3.3.10. 
Final hold (min)      
I 850.879.885.883.869.
ReferenceMoio, Dekimpe, et al., 1993Shiota, 1993Shiota, 1993Ciccioli, Cecinato, et al., 1992Guan, Zheng, et al., 1992
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP Sil 5 CBDB-5OV-101OV-101DB-1
Column length (m) 25.60.50.54.60.
Carrier gas HeHeHeHelium 
Substrate      
Column diameter (mm) 0.320.320.320.260.32
Phase thickness (μm) 0.451.00.5  
Tstart (C) 0.40.50.50.50.
Tend (C) 320.240.250.240.230.
Heat rate (K/min) 3.3.4.5.4.
Initial hold (min) 5.  0. 
Final hold (min) 10.  0.10.
I 872.892.879.878.876.
ReferenceHartgers, Damste, et al., 1992Berdague, Denoyer, et al., 1991Misharina, Golovnya, et al., 1991Zenkevich and Ventura, 1991Binder, Benson, et al., 1990
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1OV-101OV-1SqualaneSqualane
Column length (m)  50.50.100.100.
Carrier gas  HeHe  
Substrate      
Column diameter (mm)  0.200.20.250.25
Phase thickness (μm)   0.52  
Tstart (C) 50.80.35.  
Tend (C) 230.190.150.  
Heat rate (K/min) 4.1.1.10.10.2
Initial hold (min)   10.  
Final hold (min) 10.    
I 876.889.875.6870.5873.4
ReferenceBinder, Turner, et al., 1990Matisová, Kovacicová, et al., 1989Durand, Boscher, et al., 1987Krupcik, Cellar, et al., 1986Krupcik, Cellar, et al., 1986
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SqualaneSqualaneSqualaneSqualaneSqualane
Column length (m) 100.100.100.180.180.
Carrier gas      
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm)      
Tstart (C)    40.40.
Tend (C)      
Heat rate (K/min) 0.40.60.80.10.2
Initial hold (min)      
Final hold (min)      
I 877.3880.1882.5870.873.
ReferenceKrupcik, Cellar, et al., 1986Krupcik, Cellar, et al., 1986Krupcik, Cellar, et al., 1986Krupcik, Cellar, et al., 1986, 2Krupcik, Cellar, et al., 1986, 2
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SqualaneSqualaneSqualaneDB-1OV-101
Column length (m) 180.180.180.50.50.
Carrier gas     He
Substrate      
Column diameter (mm) 0.250.250.250.320.31
Phase thickness (μm)      
Tstart (C) 40.40.40.0.0.
Tend (C)    250.225.
Heat rate (K/min) 0.40.60.83.3.
Initial hold (min)     1.
Final hold (min)      
I 876.879.882.877.871.
ReferenceKrupcik, Cellar, et al., 1986, 2Krupcik, Cellar, et al., 1986, 2Krupcik, Cellar, et al., 1986, 2Habu, Flath, et al., 1985del Rosario, de Lumen, et al., 1984
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryPackedCapillary
Active phase SE-30Apiezon LSF-96
Column length (m) 50.2.111.
Carrier gas He Nitrogen
Substrate  Chromosorb G-AW-DMCS 
Column diameter (mm) 0.5 0.76
Phase thickness (μm)    
Tstart (C) 40.25. 
Tend (C) 170. 130.
Heat rate (K/min) 3.10.3.
Initial hold (min) 3. 8.
Final hold (min)   40.
I 875.854.880.
ReferenceHeydanek and McGorrin, 1981Dahlmann, Köser, et al., 1979Donetzhuber, Johansson, et al., 1976
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.

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]

Kotowska, Zalikowski, et al., 2012
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Supelco, 2012
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Czerny, Brueckner, et al., 2011
Czerny, M.; Brueckner, R.; Kirchoff, E.; Schmitt, R.; Buettner, A., The influence of molecular structure on odor qualities and odor detection thresholds of volatile alkylated phenols, Chem. Senses, 2011, 1-15, retrieved from http://chemie.oxfordjournals.org. [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]

Harrison and Priest, 2009
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Berlioz, B.; Cordella, C.; Cavalli, J.-F.; Lizzani-Cuvelier, L.; Loiseau, A.-M.; Fernandez, X., Comparison of the amounts of volatile compounds in French protected designation of origin virgin olive oils, J. Agric. Food Chem., 2006, 54, 26, 10092-10101, https://doi.org/10.1021/jf061796+ . [all data]

Castel, Fernandez, et al., 2006
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]

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Utsunomia, Kawata, et al., 2005
Utsunomia, H.; Kawata, J.; Chanoki, W.; Shirakawa, N.; Miyazawa, M., Components of Essential Oil from Woods of Prunus mume Sieb. at Zucc., J. Oleo Sci., 2005, 54, 11, 609-612, https://doi.org/10.5650/jos.54.609 . [all data]

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Cavalli, J.-F.; Fernandez, X.; Lizzani-Cievelier, L.; Loiseau, A.-M., Characterization of volatile compounds of French and Spanish virgin olive oil by HS-SPME: identification of quality-freshness markers, Food Chem., 2004, 88, 1, 151-157, https://doi.org/10.1016/j.foodchem.2004.04.003 . [all data]

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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]

Isidorov and Jdanova, 2002
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Kim and Lee, 2002
Kim, N.-S.; Lee, D.-S., Comparison of different extraction methods for the analysis of fragrances from Lavandula species by gas chromatography-mass spectrometry, J. Chromatogr. A, 2002, 982, 1, 31-47, https://doi.org/10.1016/S0021-9673(02)01445-0 . [all data]

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Misharina, T.A.; Golovnya, R.V.; Charnomskii, V.V., Volatile components of boiled shrimp funchalia woodwardi and crab geryon maritae, Zh. Anal. Khim., 1991, 46, 1421-1429. [all data]

Zenkevich and Ventura, 1991
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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]

Binder, Turner, et al., 1990
Binder, R.G.; Turner, C.E.; Flath, R.A., Volatile components of purple starthistle, J. Agric. Food Chem., 1990, 38, 4, 1053-1055, https://doi.org/10.1021/jf00094a030 . [all data]

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Durand, J.P.; Boscher, Y.; Petroff, N.; Berthelin, M., Automatic Gas Chromatographic Determination of Gasoline Components. Application to Octane Number Determination, J. Chromatogr., 1987, 395, 229-240, https://doi.org/10.1016/S0021-9673(01)94113-5 . [all data]

Krupcik, Cellar, et al., 1986
Krupcik, J.; Cellar, P.; Repka, D.; Garaj, J.; Guiochon, G., Use of Kováts retention indices for characterization of solutes in linear temperature-programmed capillary gas-liquid chromatography, J. Chromatogr., 1986, 351, 111-121, https://doi.org/10.1016/S0021-9673(01)83477-4 . [all data]

Krupcik, Cellar, et al., 1986, 2
Krupcik, J.; Cellar, P.; Repka, D., Analyza cyklickych a aromatickych uhlovodnikov s poctom uhlikovych atomov 8 kapilarnou plynovou chromatografiou, Ropa a Uhlie, 1986, 28, 8, 485-495. [all data]

Habu, Flath, et al., 1985
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del Rosario, de Lumen, et al., 1984
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Notes

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