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Toluene

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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 CBOptima-5 MSHP-5 MSPetrocol DHDB-5
Column length (m) 60.30.30.100.30.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.250.250.250.250.32
Phase thickness (mum) 1.00.250.250.500.25
Tstart (C) 45.35.35.20.40.
Tend (C) 210.250.300.220.250.
Heat rate (K/min) 3.610.3.15.8.
Initial hold (min) 1.453.5.15.2.
Final hold (min) 2.725.15.30.5.
I 756.759.757.751.762.
ReferenceBramston-Cook, 2013Goeminne, Vandendriessche, et al., 2012Kotowska, Zalikowski, et al., 2012Supelco, 2012Czerny, Brueckner, et al., 2011
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase VF-5 MSVF-5 MSUltra-ALLOY-5Ultra-ALLOY-5ZB-5
Column length (m) 60.60.30.30.30.
Carrier gas HeliumHelium  Helium
Substrate      
Column diameter (mm) 0.320.320.250.250.25
Phase thickness (mum) 0.250.250.250.250.25
Tstart (C) 30.30.40.40.40.
Tend (C) 260.260.320.320.280.
Heat rate (K/min) 2.2.20.20.6.
Initial hold (min)   2.2.1.
Final hold (min) 28.28.13.13.9.
I 763.769.765.766.766.
ReferenceLeffingwell and Alford, 2011Leffingwell and Alford, 2011Tsuge, Ohtan, et al., 2011Tsuge, Ohtan, et al., 2011Harrison and Priest, 2009
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5 MSSPB-5SPB-1HP-5VF-5MS
Column length (m) 30.60.30.10.30.
Carrier gas Helium HeliumHelium 
Substrate      
Column diameter (mm) 0.250.320.250.100.25
Phase thickness (mum) 0.251.001.00.400.25
Tstart (C) 35.40.60.40.40.
Tend (C) 195.230.250.280.250.
Heat rate (K/min) 2.3.5.20.7.
Initial hold (min) 5.5.5.1. 
Final hold (min) 30.10. 1. 
I 759.771.757.773.758.
ReferenceKim and Chung, 2009Sivadier, Ratel, et al., 2009Frerot, Velluz, et al., 2008Mildner-Szkudlarz and Jelen, 2008Ghiasvand, Setkova, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SPB-5SPB-5HP-1HP-1HP-1
Column length (m) 60.60.50.50.50.
Carrier gas   N2HeHe
Substrate      
Column diameter (mm) 0.320.320.20.20.2
Phase thickness (mum) 1.1.0.330.330.33
Tstart (C) 40.40.60.60.60.
Tend (C) 230.230.250.250.250.
Heat rate (K/min) 3.3.2.2.2.
Initial hold (min) 5.5. 4.4.
Final hold (min) 5.5.20.30.30.
I 770.770.753.746.746.
ReferenceVasta, Ratel, et al., 2007Vasta, Ratel, et al., 2007Berlioz, Cordella, et al., 2006Castel, 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-1DB-5 MSPetrocol DH
Column length (m) 50.50.50.30.150.
Carrier gas HeHeHe  
Substrate      
Column diameter (mm) 0.20.20.20.250.25
Phase thickness (mum) 0.330.50.330.251.0
Tstart (C) 60.60.60.40.40.
Tend (C) 250.250.250.200.300.
Heat rate (K/min) 2.2.2.8.1.
Initial hold (min) 4. 4.3. 
Final hold (min) 30.120.30.20. 
I 750.750.750.756.756.
ReferenceCastel, Fernandez, et al., 2006Castel, Fernandez, et al., 2006, 2Castel, Fernandez, et al., 2006, 2Schirack, Drake, et al., 2006Sojak, Kubinec, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5MDN-5SPB-5HP-1SE-54
Column length (m) 60.60.30.50.30.
Carrier gas HeHeHeN2He
Substrate      
Column diameter (mm) 0.320.250.250.20.25
Phase thickness (mum) 0.250.250.250.330.25
Tstart (C) 30.40.60.60.60.
Tend (C) 260.270.250.250.260.
Heat rate (K/min) 2.4.4.2.2.
Initial hold (min) 2.4.2. 5.
Final hold (min) 28.5.20.20. 
I 766.1766.773.753.776.
ReferenceLeffingwell and Alford, 2005van Loon, Linssen, et al., 2005Pino, Marbot, et al., 2005Cavalli, Fernandez, et al., 2004Kilic, Hafizoglu, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1DB-15 % Phenyl methyl siloxaneDB-1DB-5
Column length (m) 60.60.0.60.60.
Carrier gas HeHeHe He
Substrate      
Column diameter (mm) 0.320.320.250.530.25
Phase thickness (mum) 0.250.251.0.50.25
Tstart (C) 35.35.40.-20.35.
Tend (C) 230.230.250.280.280.
Heat rate (K/min) 2.2.7.10.5.
Initial hold (min) 4.4.10. 2.
Final hold (min) 25.25.5.5.4.
I 745.748.772.771.764.
ReferencePark, Lee, et al., 2004Park, Lee, et al., 2004Ramírez, Estévez, et al., 2004Butrym and Hartman, 2003Dhanda, Pegg, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase MDN-5DB-5SPB-5SPB-1SPB-1
Column length (m) 30.30.60.30.30.
Carrier gas HeH2HeliumHeHe
Substrate      
Column diameter (mm) 0.250.250.320.250.25
Phase thickness (mum) 0.250.251.00.250.25
Tstart (C) 40.60.30.40.40.
Tend (C) 280.280.230.200.200.
Heat rate (K/min) 20.4.3.3.3.
Initial hold (min) 1.10. 10.10.
Final hold (min) 1.40.   
I 773.773.768.741.742.
ReferenceMildner-Szkudlarz, Jelen, et al., 2003Pino, Marbot, et al., 2003Sebastian, Viallon-Fernandez, et al., 2003Vichi, Castellote, et al., 2003Vichi, Pizzale, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase 5 % Phenyl methyl siloxaneHP-5SPB-5SPB-5HP-5
Column length (m) 15.30.30.60.60.
Carrier gas   HeliumHeHe
Substrate      
Column diameter (mm) 0.250.250.250.320.32
Phase thickness (mum) 0.25 0.251.1.
Tstart (C) 40.50.60.40.40.
Tend (C) 250.200.250.200.240.
Heat rate (K/min) 5.3.4.3.3.
Initial hold (min)   2.  
Final hold (min) 2. 20.  
I 766.761.776.769.770.
ReferenceHussam, Alauddin, et al., 2002Isidorov and Jdanova, 2002Pino, Marbot, et al., 2002Poligné, Collignan, et al., 2001García, Martín, et al., 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase BP-1DB-5MSMethyl SiliconeHP-5DB-5
Column length (m) 50.30.60.25.30.
Carrier gas HeHe   
Substrate      
Column diameter (mm) 0.220.250.250.200.32
Phase thickness (mum) 0.750.250.250.331.
Tstart (C) 50.40.40.50.40.
Tend (C) 200.250.220.180.200.
Heat rate (K/min) 5.3.5.5.3.
Initial hold (min)  1.10.3.5.
Final hold (min)      
I 761.753.2751.13770.769.
ReferenceHealth Safety Executive, 2000Shoenmakers, Oomen, et al., 2000Baraldi, Rapparini, et al., 1999Jung, Wichmann, et al., 1999Meynier, Novelli, et al., 1999
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase OV-1OV-101SE-54SE-54SE-54
Column length (m)  50.25.36.50.
Carrier gas  Helium   
Substrate      
Column diameter (mm)  0.200.310.250.32
Phase thickness (mum)  0.50 0.25 
Tstart (C) 50.30.35.35.60.
Tend (C) 160.100.250.240.200.
Heat rate (K/min) 2.1.4.5.4.
Initial hold (min)  6.3. 2.
Final hold (min)      
I 753.754.756.779.752.
ReferenceOrav, Kailas, et al., 1999Orav, Kailas, et al., 1999, 2Ding, Deng, et al., 1998Huang, Liang, et al., 1996Guan, Li, et al., 1995
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5SP-2100Ultra-2DB-5DB-5
Column length (m) 30.30.50.30.30.
Carrier gas HeHeHeH2H2
Substrate      
Column diameter (mm) 0.250.250.320.320.32
Phase thickness (mum) 0.25 0.521.1.
Tstart (C) 35.40.40.40.40.
Tend (C) 300.280.250.220.220.
Heat rate (K/min) 10.5.4.3.3.
Initial hold (min) 2.3.3.  
Final hold (min) 10. 30.  
I 771.2744.750.765.765.
ReferenceWang and Fingas, 1995Fischer and Kusch, 1993King, Hamilton, et al., 1993Moio, Dekimpe, et al., 1993Moio, Dekimpe, et al., 1993
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1DB-1DB-1OV-1OV-1
Column length (m) 30.30.60.50.50.
Carrier gas HeHeHeH2H2
Substrate      
Column diameter (mm) 0.250.250.320.320.32
Phase thickness (mum) 0.250.251.20.520.52
Tstart (C) 50.50.30.30.35.
Tend (C) 240.240.240.  
Heat rate (K/min) 5.5.3.1.2.
Initial hold (min) 3.3.10.  
Final hold (min)      
I 748.752.756.743.746.
ReferenceShiota, 1993Shiota, 1993Ciccioli, Cecinato, et al., 1992Guan, Zheng, 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-5DB-5DB-5OV-101
Column length (m) 25.60.60.60.50.
Carrier gas HeHe HeHe
Substrate      
Column diameter (mm) 0.320.320.250.250.32
Phase thickness (mum) 0.451.00.25 0.5
Tstart (C) 0.40.40.40.50.
Tend (C) 320.240.250.160.250.
Heat rate (K/min) 3.3.2.2.4.
Initial hold (min) 5. 5.5. 
Final hold (min) 10.    
I 746.771.774.774.752.
ReferenceHartgers, Damste, et al., 1992Berdague, Denoyer, et al., 1991Lee, Macku, et al., 1991Macku and Shibamoto, 1991Misharina, Golovnya, et al., 1991
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1DB-1OV-101HP-5DB-1
Column length (m) 60.60.54.50.60.
Carrier gas HeHeHeliumH2 
Substrate      
Column diameter (mm) 0.250.250.260.30.32
Phase thickness (mum) 0.250.25  0.25
Tstart (C) 50.50.50.80.50.
Tend (C) 240.240.240.250.250.
Heat rate (K/min) 3.3.5.16.4.
Initial hold (min)   0.  
Final hold (min)   0.  
I 752.756.756.764.748.
ReferenceShiota, 1991Shiota, 1991Zenkevich and Ventura, 1991Spadone, Takeoka, et al., 1990Flath, Matsumoto, et al., 1989
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1DB-1DB-1OV-101OV-101
Column length (m) 60.60.60.50.50.
Carrier gas    N2N2
Substrate      
Column diameter (mm) 0.320.320.320.250.25
Phase thickness (mum) 0.250.250.25  
Tstart (C) 50.50.50.80.80.
Tend (C) 250.250.250.200.200.
Heat rate (K/min) 4.4.4.2.2.
Initial hold (min)      
Final hold (min)      
I 748.749.753.760.765.
ReferenceFlath, Matsumoto, et al., 1989Flath, Matsumoto, et al., 1989Flath, Matsumoto, et al., 1989Sugisawa, Yang, et al., 1989Sugisawa, Yang, et al., 1989
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase OV-1DB-1SE-30OV-101SE-30
Column length (m) 50.50.50.50.50.
Carrier gas He HeHe 
Substrate      
Column diameter (mm) 0.20.320.250.310.5
Phase thickness (mum) 0.52    
Tstart (C) 35.0.20.0.40.
Tend (C) 150.250.260.225.170.
Heat rate (K/min) 1.13.2.3.3.
Initial hold (min) 10. 4.1.3.
Final hold (min)   16.  
I 748.7752.750.748.748.
ReferenceDurand, Boscher, et al., 1987Habu, Flath, et al., 1985Hackett, Gibbon, et al., 1985del Rosario, de Lumen, et al., 1984Heydanek and McGorrin, 1981
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryPackedCapillaryCapillary
Active phase SE-30Apiezon LOV-1SF-96
Column length (m) 50.2.183.111.
Carrier gas He N2Nitrogen
Substrate  Chromosorb G-AW-DMCS  
Column diameter (mm) 0.5 0.7620.76
Phase thickness (mum)     
Tstart (C) 40.25.0. 
Tend (C) 170. 230.130.
Heat rate (K/min) 3.10.1.3.
Initial hold (min) 3.  8.
Final hold (min)    40.
I 748.734.753.761.
ReferenceHeydanek and McGorrin, 1981, 2Dahlmann, Köser, et al., 1979Schreyen, Dirinck, et al., 1979Donetzhuber, Johansson, et al., 1976
Comment 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]

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]

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]

Supelco, 2012
Supelco, CatalogNo. 24160-U, Petrocol DH Columns. Catalog No. 24160-U, 2012, retrieved from http://www.sigmaaldrich.com/etc/medialib/docs/Supelco/Datasheet/1/w97949.Par.0001.File.tmp/w97949.pdf. [all data]

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]

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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]

Kim and Chung, 2009
Kim, J.-S.; Chung, H.Y., GC-MS analysis of the volatile components in dried boxthorn (Lycium chimensis) Fruit, J. Korean Soc. Appl. Biol. Chem., 2009, 52, 5, 516-524, https://doi.org/10.3839/jksabc.2009.088 . [all data]

Sivadier, Ratel, et al., 2009
Sivadier, G.; Ratel, J.; Engel, E., Latency and persistence of diet volatile biomarkers in lamb fats, J. Agric. Food Chem., 2009, 57, 2, 645-652, https://doi.org/10.1021/jf802467q . [all data]

Frerot, Velluz, et al., 2008
Frerot, E.; Velluz, A.; Bagnoud, A.; Delort, E., Analysis of the volatile constituents of cooked petai beans (Parkia speciosa) using high-resolution GC/TOF-MS, Flav. Fragr. J., 2008, 23, 6, 434-440, https://doi.org/10.1002/ffj.1902 . [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]

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]

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Castel, Fernandez, et al., 2006, 2
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Leffingwell and Alford, 2005
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van Loon, Linssen, et al., 2005
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Pino, Marbot, et al., 2005
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Notes

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