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Toluene

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Van Den Dool and Kratz RI, 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 DB-WaxCP-Wax 52CBCP-Wax 52CBSupelcowax-10Stabilwax
Column length (m) 30.50.60.60.60.
Carrier gas He   He
Substrate      
Column diameter (mm) 0.250.320.250.250.25
Phase thickness (mum) 0.25 0.250.250.25
Tstart (C) 50.60.35.35.40.
Tend (C) 230.220.203.195.240.
Heat rate (K/min) 10.4.3.6.3.
Initial hold (min) 5.5.4.5.5.
Final hold (min) 25.30. 60.10.
I 1036.1027.1034.1017.1029.
ReferenceFernandez-Segovia, Escriche, et al., 2006Mahadevan and Farmer, 2006Alasalvar, Taylor, et al., 2005Chung, Fung, et al., 2005Cros, Lignot, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Supelcowax-10DB-WaxSupelcowax-10Carbowax 20MZB-Wax
Column length (m) 60.60.30.60.30.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.320.250.250.25
Phase thickness (mum) 0.251.0.250.250.15
Tstart (C) 40.45.60.45.35.
Tend (C) 280.250.240.250.220.
Heat rate (K/min) 4.5.3.2.5.
Initial hold (min) 2.1.5.0.175.
Final hold (min)  12.10. 10.
I 1046.1075.1073.1033.1014.
ReferenceElmore, Nisyrios, et al., 2005Malliaa, Fernandez-Garcia, et al., 2005Riu-Aumatell, Lopez-Tamames, et al., 2005Verzera, Campisi, et al., 2005Ledauphin, Saint-Clair, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CarbowaxStabilwaxAT-WaxSupelcowax-10Supelcowax-10
Column length (m) 60.60.60.60.60.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.320.250.25
Phase thickness (mum) 0.50.250.250.250.25
Tstart (C) 50.40.65.35.35.
Tend (C) 250.240.250.195.195.
Heat rate (K/min) 5.3.2.2.2.
Initial hold (min) 10.5.10.5.5.
Final hold (min) 10.10.60.90.90.
I 1056.1029.1028.1041.1041.
ReferenceCensullo, Jones, et al., 2003Cros, Vandanjon, et al., 2003Pino, Almora, et al., 2003Chung, Yung, et al., 2002Chung, Yung, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxCP-Wax 52CBDB-WaxCP-Wax 52CBDB-Wax
Column length (m) 60.50.60.60.60.
Carrier gas HeH2HeHeHe
Substrate      
Column diameter (mm) 0.250.320.250.250.32
Phase thickness (mum) 0.25 0.250.250.5
Tstart (C) 40.50.50.45.40.
Tend (C) 200.200.230.250.250.
Heat rate (K/min) 2.2.2.2.4.
Initial hold (min) 5.  0.172.
Final hold (min) 30. 60. 10.
I 1033.1040.1039.1033.1040.
ReferenceKim, 2001Liu, Yang, et al., 2001Shimoda, Yoshimura, et al., 2001Verzera, Campisi, et al., 2001Le Guen, Prost, et al., 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxHP-WaxCP-Wax 52CBCP-Wax 52CBSupelcowax-10
Column length (m) 15.15.50.50.60.
Carrier gas HeHe  He
Substrate      
Column diameter (mm) 0.530.530.320.320.25
Phase thickness (mum) 1.1.  0.25
Tstart (C) 40.40.60.60.35.
Tend (C) 220.220.220.220.195.
Heat rate (K/min) 5.5.4.4.2.
Initial hold (min) 3.3.5.5.5.
Final hold (min) 30.30.30.30.90.
I 1043.1049.1031.1024.1041.
ReferencePeng, 2000Peng, 2000Chevance and Farmer, 1999Chevance and Farmer, 1999, 2Chung, 1999
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxFFAPDB-WaxDB-WaxDB-Wax
Column length (m) 60.30.60.60.60.
Carrier gas  HeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (mum) 0.250.250.250.250.25
Tstart (C) 40.20.50.50.50.
Tend (C) 200.200.230.230.230.
Heat rate (K/min) 3.4.3.2.3.
Initial hold (min) 5.1.   
Final hold (min) 60.1. 60. 
I 1033.1044.1058.1042.1040.
ReferenceCha, Kim, et al., 1998Ott, Fay, et al., 1997Shimoda, Peralta, et al., 1996Shimoda, Shiratsuchi, et al., 1996Shimoda, Wu, et al., 1996
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxDB-WaxDB-WaxDB-Wax
Column length (m) 60.60.30.60.60.
Carrier gas  HeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (mum) 0.25  0.25 
Tstart (C) 50.60.40.50.40.
Tend (C) 230.220.200.230.200.
Heat rate (K/min) 2.3.2.2.3.
Initial hold (min)  4.5. 5.
Final hold (min)  30. 60. 
I 1028.1039.1036.1049.1040.
ReferenceShimoda, Shigematsu, et al., 1995Chung, Eiserich, et al., 1994Iwaoka, Hagi, et al., 1994Shiratsuchi, Shimoda, et al., 1994Sumitani, Suekane, et al., 1994
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Supelcowax-10HP-20MHP-FFAPDB-WaxDB-Wax
Column length (m) 60.50.50.60.30.
Carrier gas HeHeHe  
Substrate      
Column diameter (mm) 0.250.250.250.250.53
Phase thickness (mum) 0.25  0.251.
Tstart (C) 40.60.60.50.40.
Tend (C) 195.190.210.230.200.
Heat rate (K/min) 2.3.3.2.8.
Initial hold (min) 5.  4.4.
Final hold (min) 40.  30.20.
I 1037.1042.1070.1035.1051.
ReferenceChung and Cadwallader, 1993Chung, Eiserich, et al., 1993Chung, Eiserich, et al., 1993Shiratsuchi, Shimoda, et al., 1993Peng, Hua, et al., 1992
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP-Wax 52CBCarbowax 20MCarbowax 20MSupelcowax-10Supelcowax-10
Column length (m) 50.25.25.60.60.
Carrier gas H2    
Substrate      
Column diameter (mm) 0.320.310.310.250.25
Phase thickness (mum)    0.250.25
Tstart (C) 50.50.50.40.40.
Tend (C) 200.200.200.175.175.
Heat rate (K/min) 1.52.2.2.2.
Initial hold (min) 10.  5.5.
Final hold (min) 80.  20.20.
I 1019.1015.1025.1042.1040.
ReferenceWu and Liou, 1992Suárez and Duque, 1991Suárez and Duque, 1991Matiella and Hsieh, 1990Tanchotikul and Hsieh, 1989
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryPacked
Active phase Supelcowax-10CP-WAX 57CBCarbowax 20MCarbowax 20M
Column length (m) 60.50.60.3.05
Carrier gas  HeHeHe
Substrate    Supelcoport
Column diameter (mm) 0.250.240.32 
Phase thickness (mum) 0.25   
Tstart (C) 40.50.50.40.
Tend (C) 175.210.225.210.
Heat rate (K/min) 2.2.1.510.
Initial hold (min) 5.5. 10.
Final hold (min) 20. 80.30.
I 1043.1022.1027.1061.
ReferenceTanchotikul and Hsieh, 1989Baltes and Mevissen, 1988Chen and Ho, 1988Buchman, Cao, et al., 1984
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI

References

Go To: Top, Van Den Dool and Kratz RI, 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.

Fernandez-Segovia, Escriche, et al., 2006
Fernandez-Segovia, I.; Escriche, I.; Gomez-Sintes, M.; Fuentes, A.; Serra, J.A., In?uence of di?erent preservation treatments on the volatile fraction of desalted cod, Food Chem., 2006, 98, 3, 473-482, https://doi.org/10.1016/j.foodchem.2005.06.021 . [all data]

Mahadevan and Farmer, 2006
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Alasalvar, Taylor, et al., 2005
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Chung, Fung, et al., 2005
Chung, H.Y.; Fung, P.K.; Kim, J.-S., Aroma impact components in commercial plain sufu, J. Agric. Food Chem., 2005, 53, 5, 1684-1691, https://doi.org/10.1021/jf048617d . [all data]

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Elmore, Nisyrios, et al., 2005
Elmore, J.S.; Nisyrios, I.; Mottram, D.S., Analysis of the headspace aroma compounds of walnuts (Juglans regia L.), Flavour Fragr. J., 2005, 20, 5, 501-506, https://doi.org/10.1002/ffj.1477 . [all data]

Malliaa, Fernandez-Garcia, et al., 2005
Malliaa, S.; Fernandez-Garcia, E.; Bosset, J.O., Comparison of purge and trap and solid phase microextraction techniques for studying the volatile aroma compounds of three European PDO hard cheeses, Int. Dairy J., 2005, 15, 6-9, 741-758, https://doi.org/10.1016/j.idairyj.2004.11.007 . [all data]

Riu-Aumatell, Lopez-Tamames, et al., 2005
Riu-Aumatell, M.; Lopez-Tamames, E.; Buxaderas, S., Assessment of the Volatile Composition of Juices of Apricot, Peach, and Pear According to Two Pectolytic Treatments, J. Agric. Food Chem., 2005, 53, 20, 7837-7843, https://doi.org/10.1021/jf051397z . [all data]

Verzera, Campisi, et al., 2005
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Ledauphin, Saint-Clair, et al., 2004
Ledauphin, J.; Saint-Clair, J.-F.; Lablanquie, O.; Guichard, H.; Founier, N.; Guichard, E.; Barillier, D., Identification of trace volatile compounds in freshly distilled calvados and cognac using preparative separations coupled with gas chromatography-mass spectrometry, J. Agric. Food Chem., 2004, 52, 16, 5124-5134, https://doi.org/10.1021/jf040052y . [all data]

Censullo, Jones, et al., 2003
Censullo, A.C.; Jones, D.R.; Wills, M.T., Speciation of the volatile organic compounds (VOCs) in solventborne aerosol coatings by solid phase microextraction-gas chromatography, J. Coat. Technol., 2003, 75, 936, 47-53, https://doi.org/10.1007/BF02697922 . [all data]

Cros, Vandanjon, et al., 2003
Cros, S.; Vandanjon, L.; Jaouen, P.; Bourseau, P., Processing of industrial mussel cooking juices by reverse osmosis: pollution abatement and aromas recovery, 2003, retrieved from http://www.membrane.unsw.edu.au/imstec03/content/papers/DAI/imstec064.pdf. [all data]

Pino, Almora, et al., 2003
Pino, J.; Almora, K.; Marbot, R., Volatile components of papaya (Carica papaya L., maradol variety) fruit, Flavour Fragr. J., 2003, 18, 6, 492-496, https://doi.org/10.1002/ffj.1248 . [all data]

Chung, Yung, et al., 2002
Chung, H.-Y.; Yung, I.K.S.; Ma, W.C.J.; Kim, J.-S., Analysis of volatile components in frozen and dried scallops (Patinopecten yessoensis) by gas chromatography/mass spectrometry, Food Res. Int., 2002, 35, 1, 43-53, https://doi.org/10.1016/S0963-9969(01)00107-7 . [all data]

Chung, Yung, et al., 2001
Chung, H.Y.; Yung, I.K.S.; Kim, J.-S., Comparison of volatile components in dried scallops (Chlamys farreri and Patinopecten yessoensis) prepared by boiling and steaming methods, J. Agric. Food Chem., 2001, 49, 1, 192-202, https://doi.org/10.1021/jf000692a . [all data]

Kim, 2001
Kim, J.S., Einfluss der Temperatur beim Rösten von Sesam auf Aroma und antioxidative Eigenschaften des Öls, PhD Thesis, Technischen Universität Berlin zur Erlangung des akademischen Grades, Berlin, 2001, 151. [all data]

Liu, Yang, et al., 2001
Liu, T.-T.; Yang, T.-S.; Wu, C.-M., Changes of volatiles in soy sauce-stewed pork during cold storage and reheating, J. Sci. Food Agric., 2001, 81, 15, 1547-1552, https://doi.org/10.1002/jsfa.978 . [all data]

Shimoda, Yoshimura, et al., 2001
Shimoda, M.; Yoshimura, Y.; Yoshimura, T.; Noda, K.; Osajima, Y., Volatile flavor compounds of sweetened condensed milk, J. Food Sci., 2001, 66, 6, 804-807, https://doi.org/10.1111/j.1365-2621.2001.tb15176.x . [all data]

Verzera, Campisi, et al., 2001
Verzera, A.; Campisi, S.; Zappalá, M.; Bonaccorsi, I., SPME-GC-MS analysis of honey volatile components for the characterization of different floral origin, Am. Lab. Fairfield Conn., 2001, 33, 15, 18-21. [all data]

Le Guen, Prost, et al., 2000
Le Guen, S.; Prost, C.; Demaimay, M., Characterization of odorant compounds of mussels (Mytilus edulis) according to their origin using gas chromatography-olfactometry and gas chromatography-mass spectrometry, J. Chromatogr. A, 2000, 896, 1-2, 361-371, https://doi.org/10.1016/S0021-9673(00)00729-9 . [all data]

Peng, 2000
Peng, C.T., Prediction of retention indices. V. Influence of electronic effects and column polarity on retention index, J. Chromatogr. A, 2000, 903, 1-2, 117-143, https://doi.org/10.1016/S0021-9673(00)00901-8 . [all data]

Chevance and Farmer, 1999
Chevance, F.F.V.; Farmer, L.J., Identification of major volatile odor compounds in frankfurters, J. Agric. Food Chem., 1999, 47, 12, 5151-5160, https://doi.org/10.1021/jf990515d . [all data]

Chevance and Farmer, 1999, 2
Chevance, F.F.V.; Farmer, L.J., Release of volatile odor compounds from full-fat and reduced-fat frankfurters, J. Agric. Food Chem., 1999, 47, 12, 5161-5168, https://doi.org/10.1021/jf9905166 . [all data]

Chung, 1999
Chung, H.Y., Volatile components in crabmeats of Charybdis feriatus, J. Agric. Food Chem., 1999, 47, 6, 2280-2287, https://doi.org/10.1021/jf981027t . [all data]

Cha, Kim, et al., 1998
Cha, Y.J.; Kim, H.; Cadwallader, K.R., Aroma-active compounds in Kimchi during fermentation, J. Agric. Food Chem., 1998, 46, 5, 1944-1953, https://doi.org/10.1021/jf9706991 . [all data]

Ott, Fay, et al., 1997
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Shimoda, Peralta, et al., 1996
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Shimoda, Shiratsuchi, et al., 1996
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Shimoda, Wu, et al., 1996
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Shimoda, Shigematsu, et al., 1995
Shimoda, M.; Shigematsu, H.; Shiratsuchi, H.; Osajima, Y., Comparison of the odor concentrates by SDE and adsorptive column method from green tea infusion, J. Agric. Food Chem., 1995, 43, 6, 1616-1620, https://doi.org/10.1021/jf00054a037 . [all data]

Chung, Eiserich, et al., 1994
Chung, T.Y.; Eiserich, J.P.; Shibamoto, T., Volatile compounds produced from peanut oil heated with different amounts of cysteine, J. Agric. Food Chem., 1994, 42, 8, 1743-1746, https://doi.org/10.1021/jf00044a032 . [all data]

Iwaoka, Hagi, et al., 1994
Iwaoka, W.; Hagi, Y.; Umano, K.; Shibamoto, T., Volatile chemicals identified in fresh and cooked breadfruit, J. Agric. Food Chem., 1994, 42, 4, 975-976, https://doi.org/10.1021/jf00040a026 . [all data]

Shiratsuchi, Shimoda, et al., 1994
Shiratsuchi, H.; Shimoda, M.; Imayoshi, K.; Noda, K.; Osajima, Y., Volatile flavor compounds in spray-dried skim milk powder, J. Agric. Food Chem., 1994, 42, 4, 984-988, https://doi.org/10.1021/jf00040a028 . [all data]

Sumitani, Suekane, et al., 1994
Sumitani, H.; Suekane, S.; Nakatani, A.; Tatsuka, K., Changes in composition of volatile compounds in high pressure treated peach, J. Agric. Food Chem., 1994, 42, 3, 785-790, https://doi.org/10.1021/jf00039a037 . [all data]

Chung and Cadwallader, 1993
Chung, H.Y.; Cadwallader, K.R., Volatile components in blue crab (Callinectes sapidus) meat and processing by-product, J. Food Sci., 1993, 58, 6, 1203-1207, https://doi.org/10.1111/j.1365-2621.1993.tb06148.x . [all data]

Chung, Eiserich, et al., 1993
Chung, T.Y.; Eiserich, J.P.; Shibamoto, T., Volatile compounds isolated from edible Korean chamchwi (Aster scaber Thunb), J. Agric. Food Chem., 1993, 41, 10, 1693-1697, https://doi.org/10.1021/jf00034a033 . [all data]

Shiratsuchi, Shimoda, et al., 1993
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Peng, Hua, et al., 1992
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Wu and Liou, 1992
Wu, C.-M.; Liou, S.-E., Volatile components of water-boiled duck meat and Cantonese style roasted duck, J. Agric. Food Chem., 1992, 40, 5, 838-841, https://doi.org/10.1021/jf00017a026 . [all data]

Suárez and Duque, 1991
Suárez, M.; Duque, C., Volatile constituents of lulo (Salanum vestissimum D.) fruit, J. Agric. Food Chem., 1991, 39, 8, 1498-1500, https://doi.org/10.1021/jf00008a026 . [all data]

Matiella and Hsieh, 1990
Matiella, J.E.; Hsieh, T.C.-Y., Analysis of crabmeat volatile compounds, J. Food Sci., 1990, 55, 4, 962-966, https://doi.org/10.1111/j.1365-2621.1990.tb01575.x . [all data]

Tanchotikul and Hsieh, 1989
Tanchotikul, U.; Hsieh, T.C.-Y., Volatile Flavor Components in Crayfish Waste, J. Food Sci., 1989, 54, 6, 1515-1520, https://doi.org/10.1111/j.1365-2621.1989.tb05149.x . [all data]

Baltes and Mevissen, 1988
Baltes, W.; Mevissen, L., Model reactions on roast aroma formation. VI. Volatile reaction products from the reaction of phenylalanine with glucose during cooking and roasting, Z. Lebensm. Unters. Forsch., 1988, 187, 3, 209-214, https://doi.org/10.1007/BF01043341 . [all data]

Chen and Ho, 1988
Chen, C.-C.; Ho, C.-T., Gas chromatographic analysis of volatile components of ginger oil (Zingiber officinale Roscoe) extracted with liquid carbon dioxide, J. Agric. Food Chem., 1988, 36, 2, 322-328, https://doi.org/10.1021/jf00080a020 . [all data]

Buchman, Cao, et al., 1984
Buchman, O.; Cao, G.-Y.; Peng, C.T., Structure assignment by retention index in gas-liquid radiochromatography of substituted cyclohexenes, J. Chromatogr., 1984, 312, 75-90, https://doi.org/10.1016/S0021-9673(01)92765-7 . [all data]


Notes

Go To: Top, Van Den Dool and Kratz RI, polar column, temperature ramp, References