Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Toluene

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Normal alkane RI, polar column, custom temperature program

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 Supelco CO Wax-10Supelco CO Wax-10SOLGel-WaxSOLGel-WaxDB-Wax
Column length (m) 60.60.30.30.60.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.320.320.250.250.32
Phase thickness (mum) 0.250.250.250.251.0
Program 35 0C (6 min) 2 0C/min -> 60 0C (5 min) 5 0C/min -> 200 0C 25 0C/min -> 250 0C (6 min)not specified40 0C (2 min) 5 0C/min -> 140 0C 10 0C/min -> 250 0C (3 min)not specified40 0C (2 min) 4 0C/min -> 190 0C (11 min) 8 0C/min -> 220 0C (8 min)
I 1039.1040.1042.1040.1069.
ReferencePrompona, Kandylis, et al., 2012Prompona, Kandylis, et al., 2012Johanningsmeier and McFeeters, 2011Johanningsmeier and McFeeters, 2011Kadar, Juan-Borras, et al., 2010
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Supelko CO WaxSupelko CO WaxSupelko CO WaxBP-20Supelcowax 10
Column length (m) 60.60.60.30.50.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.320.320.320.250.25
Phase thickness (mum) 0.250.250.250.250.25
Program  40 0C (5 min) 4 0C/min -> 75 0C 5 0C/min -> 250 0C (10 min)not specified40 0C (1 min) 2 0C/min -> 100 0C (2 min) 1.7 0C/min -> 180 0C (1 min) 25 0C/min -> 220 0C (10 min)45 0C (15 min) 3 0C/min -> 75 0C 5 0C/min -> 180 0C (10 min)
I 1043.1026.1030.1081.1061.
ReferenceVekiari, Orepoulou, et al., 2010Vekiari, Orepoulou, et al., 2010Vekiari, Orepoulou, et al., 2010Rodrigues, Caldera, et al., 2008Soria, Martinez-Castro, et al., 2008
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Supelcowax-10Supelcowax-10DB-WaxDB-WaxHP-Innowax
Column length (m) 30.30.30.30.30.
Carrier gas HeHeHydrogenHydrogenHelium
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (mum) 0.250.250.250.250.25
Program 35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min)35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min)44 0C 3 0C/min -> 170 0C 8 0C/min -> 250 0Cnot specified30 0C (5 min) 5 0C/min -> 100 0C (5 min) 1 0C/min -> 130 0C 10 0C/min -> 195 0C (45 min)
I 1040.1043.1043.1042.1026.
ReferenceBerard, Bianchi, et al., 2007Berard, Bianchi, et al., 2007Gonzalez-Rios, Suarez-Quiroz, et al., 2007Gonzalez-Rios, Suarez-Quiroz, et al., 2007Narain, Galvao, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase BP-20BP-20Supelcowax-10Carbowax 20MCarbowax 20M
Column length (m) 30.30.30.  
Carrier gas HeHeHe  
Substrate      
Column diameter (mm) 0.250.250.25  
Phase thickness (mum) 0.250.250.25  
Program 50C(1min) => 2.5C/min => 100C => 2C/min => 180C => 15C/min => 220C50C(1min) => 2.5C/min => 100C => 2C/min => 180C => 15C/min => 220C40C(3min) => 4C/min => 75C => 8C/min => 250C(5min)not specifiednot specified
I 1023.1023.1043.1033.1036.
ReferencePontes, Marques, et al., 2007Pontes, Marques, et al., 2007Vichi, Guadayol, et al., 2007Editorial paper, 2005Editorial paper, 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Supelcowax-10Carbowax 20MCarbowax 20MDB-WaxPEG-20M
Column length (m) 30.  60.25.
Carrier gas    He 
Substrate      
Column diameter (mm) 0.25  0.320.25
Phase thickness (mum) 0.25  0.5 
Program 40C(3min) => 4C/min => 75C => 8C/min => 250Cnot specifiednot specified50C(6min) => 1C/min => 130C => 10C/min => 240C (15min)not specified
I 1023.1050.1027.1043.1012.
ReferenceVichi, Pizzale, et al., 2005Cornwell and Cordano, 2003Ivanciuc, Ivanciuc, et al., 2001Piveteau, le Guen, et al., 2000Ding, Deng, et al., 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Supelcowax 10Supelcowax 10Supelcowax 10DB-WaxPEG-20M
Column length (m) 60.60.60.30. 
Carrier gas HeliumHeliumHelium  
Substrate      
Column diameter (mm) 0.250.250.250.53 
Phase thickness (mum) 0.250.250.251.0 
Program 60 0C (10 min) 2 0C/min -> 80 0C 3 0C/min -> 100 0C 4 0C/min -> 220 0C (30 min)not specifiednot specified40 0C (4 min) 4 0C/min -> 200 0C (20 min)not specified
I 1034.1047.1058.1051.1050.
ReferenceCastioni and Kapetanidis, 1996Castioni and Kapetanidis, 1996Castioni and Kapetanidis, 1996Peng, 1996Xiuhua, Zhang, et al., 1996
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP Wax 52 CBCP-Wax 52CBDB-WaxDB-WaxCarbowax 20M
Column length (m) 50.50.   
Carrier gas      
Substrate      
Column diameter (mm) 0.320.32   
Phase thickness (mum) 0.201.5   
Program 50 0C (10 min) 2 0C/min -> 100 0C 5 0C/min -> 150 0C 7 0C/min -> 220 0C (20 min)40C => 2C/min => 150C => 10C/min => 250Cnot specifiednot specifiednot specified
I 1031.1032.1043.1051.1032.
ReferencePatterson and Stevenson, 1995Luning, de Rijk, et al., 1994Peng, Yang, et al., 1991Peng, Yang, et al., 1991Dimov and Mekenyan, 1989
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Superox 0.6; Carbowax 20MCarbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc.Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc.Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc.Carbowax 20M
Column length (m) 50.50.50.50. 
Carrier gas HydrogenHydrogenHydrogenHydrogen 
Substrate      
Column diameter (mm) 0.320.320.320.32 
Phase thickness (mum)      
Program not specifiednot specifiednot specifiednot specifiednot specified
I 1027.1027.1037.1054.1035.
ReferenceWaggott and Davies, 1984Waggott and Davies, 1984Waggott and Davies, 1984Waggott and Davies, 1984Ramsey and Flanagan, 1982
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI

References

Go To: Top, Normal alkane RI, 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.

Prompona, Kandylis, et al., 2012
Prompona, K.-D.; Kandylis, P.; Tsakiris, A.; Kanellaki, M.; Kourkoutas, Y., Application of alternative technologies for elimination of artificial colorings in alcoholic beverages produced by Citrus medica and potential impact on human health, Food Nutrition Sci., 2012, 3, 07, 959-969, https://doi.org/10.4236/fns.2012.37127 . [all data]

Johanningsmeier and McFeeters, 2011
Johanningsmeier, S.D.; McFeeters, R.F., Detection of volatile spoilage metabolites in fermented cucumbers using nontargeted, comprehensive 2-dimensional gas chromatography-time-of-flight mass spectrometry (GCxGCxTOFMS), J. Food Sci., 2011, 76, 1, c168-c177, https://doi.org/10.1111/j.1750-3841.2010.01918.x . [all data]

Kadar, Juan-Borras, et al., 2010
Kadar, M.; Juan-Borras, M.; Hellebrandova, M.; Domenech, E.; Escriche, I., Volatile fraction composition of Acacia (Robinia pseudoacacia) honey from Romania, Spain, and Check Republic, Bull. USAMV Agriculture, 2010, 67, 2, 259-265. [all data]

Vekiari, Orepoulou, et al., 2010
Vekiari, S.A.; Orepoulou, V.; Kourkoutas, Y.; Kamoun, N.; Msallem, M.; Psimouli, V.; Arapoglou, D., Characterization and seasonal variations of the quality of virgin olive oil of the Thoumbolia and Koroneiki varieties from Southern Greece, Grasas y Aceites, 2010, 61, 3, 221-231, https://doi.org/10.3989/gya.108709 . [all data]

Rodrigues, Caldera, et al., 2008
Rodrigues, F.; Caldera, M.; Camara, J.S., development of a dynamic headspace solid-phase microextraction procedure coupled to GC-qMSD for evaluation the chemical profile in alcoholic beverages, Anal. Chim. Acta, 2008, 609, 1, 82-104, https://doi.org/10.1016/j.aca.2007.12.041 . [all data]

Soria, Martinez-Castro, et al., 2008
Soria, A.C.; Martinez-Castro, I.; Sanz, J., Some aspects of dynamic headspace analysis of volatile components in honey, Foog Res. International, 2008, 41, 8, 838-848, https://doi.org/10.1016/j.foodres.2008.07.010 . [all data]

Berard, Bianchi, et al., 2007
Berard, J.; Bianchi, F.; Careri, M.; Chatel, A.; Mangia, A.; Musci, M., Characterization of the volatile fraction and of free fatty acids of Fontina Valle d'Aosta, a protected designation of origin Italian cheese, Food Chem., 2007, 105, 1, 293-300, https://doi.org/10.1016/j.foodchem.2006.11.041 . [all data]

Gonzalez-Rios, Suarez-Quiroz, et al., 2007
Gonzalez-Rios, O.; Suarez-Quiroz, M.L.; Boulanger, R.; Barel, M.; Guyot, B.; Guiraud, J.-P.; Schorr-Galindo, S., Impact of ecological post-harvest processing of coffee aroma: II Roasted coffee., J. Food Composition Analysis, 2007, 20, 3-4, 297-307, https://doi.org/10.1016/j.jfca.2006.12.004 . [all data]

Narain, Galvao, et al., 2007
Narain, N.; Galvao, M. deS.; Ferreira, D.DaS.; Navarro, D.M.A.F., Flavor biogeneration in Mangaba (Hancornia speciosa Gomes) fruit, BioEng. Campinas, 2007, 1, 1, 25-31. [all data]

Pontes, Marques, et al., 2007
Pontes, M.; Marques, J.C.; Camara, J.S., Screening of volatile composition from Portuguese multifloral honeys using headspace solid-phase microextraction-gas chromatography-quadrupole mass spectrometry, Talanta, 2007, 74, 1, 91-103, https://doi.org/10.1016/j.talanta.2007.05.037 . [all data]

Vichi, Guadayol, et al., 2007
Vichi, S.; Guadayol, J.M.; Caixach, J.; López-Tamames, E.; Buxaderas, S., Analytical, Nutritional, and Clinical Methods. Comparative study of different extraction techniques for the analysis of virgin olive oil aroma, Food Chem., 2007, 105, 3, 1171-1178, https://doi.org/10.1016/j.foodchem.2007.02.018 . [all data]

Editorial paper, 2005
Editorial paper, Solid Phase Microextraction (SPME) Application Guide, The Reporter Europe (Supelco), 2005, 16, 5, 12-12. [all data]

Vichi, Pizzale, et al., 2005
Vichi, S.; Pizzale, L.; Conte, L.S.; Buxaderas, S.; L´opez-Tamames, E., Simultaneous determination of volatile and semi-volatile aromatic hydrocarbons in virgin olive oil by headspace solid-phase microextraction coupled to gas chromatography/mass spectrometry, J. Chromatogr. A, 2005, 1090, 1-2, 146-154, https://doi.org/10.1016/j.chroma.2005.07.007 . [all data]

Cornwell and Cordano, 2003
Cornwell, E.; Cordano, G., Nueva proposicion para predecir datos de retencion obtenidos mediante cromatografia de gases de hidrocarburos derivados de las naftas, Revista de la Sociedad Quimica de Mexico, 2003, 47, 1, 38-43. [all data]

Ivanciuc, Ivanciuc, et al., 2001
Ivanciuc, O.; Ivanciuc, T.; Klein, D.J.; Seitz, W.A.; Balaban, A.T., Quantitative structure-retention relationships for gas chromatographic retention indices of alkylbenzenes with molecular graph descriptors, SAR QSAR Environ. Res., 2001, 11, 5-6, 419-452, https://doi.org/10.1080/10629360108035362 . [all data]

Piveteau, le Guen, et al., 2000
Piveteau, F.; le Guen, S.; Gandemer, G.; Baud, J.-P.; Demaimay, M., Aroma of fresh oysters Crassostrea gigas: composition and aroma notes, J. Agric. Food Chem., 2000, 48, 10, 4851-4857, https://doi.org/10.1021/jf991394k . [all data]

Ding, Deng, et al., 1998
Ding, Q.; Deng, Y.; Sun, Y.; Huagn, A.; Sun, Y., Analysis of volatile components in ox feces by capillary gas chromatography, Beijing Daxue Xuebao Ziran Kexueban, 1998, 34, 6, 720-725. [all data]

Castioni and Kapetanidis, 1996
Castioni, P.; Kapetanidis, I., Volatile constituents from Brunfelsia grandiflora ssp. grandiflora: qualitative analysis by GC-MS, Scientia Pharmaceutica, 1996, 64, 83-91. [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]

Xiuhua, Zhang, et al., 1996
Xiuhua, Zh.; Zhang, L.; Che, X., Prediction of the Kovats retention indexes of polysubstituted alkylbenzenes, Chin. J. Chromatogr., 1996, 14, 4, 244-248. [all data]

Patterson and Stevenson, 1995
Patterson, R.L.S.; Stevenson, M.H., Irradiation-induced off-odor in chicken and its possible control, British Poultry Science, 1995, 36, 3, 425-441, https://doi.org/10.1080/00071669508417789 . [all data]

Luning, de Rijk, et al., 1994
Luning, P.A.; de Rijk, T.; Wichers, H.J.; Roozen, J.P., Gas chromatography, mass spectrometry, and sniffing port analyses of volatile compounds of fresh bell peppers (Capsicum annuum) at different ripening stages, J. Agric. Food Chem., 1994, 42, 4, 977-983, https://doi.org/10.1021/jf00040a027 . [all data]

Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Ding, S.F., Prediction of rentention idexes. II. Structure-retention index relationship on polar columns, J. Chromatogr., 1991, 586, 1, 85-112, https://doi.org/10.1016/0021-9673(91)80028-F . [all data]

Dimov and Mekenyan, 1989
Dimov, N.; Mekenyan, Ov., Quantitative Relationships Between the Structure of Alkylbenzenes and Their Gas Chromatographic Retention on Stationary Phasses with Different Polarity, J. Chromatogr., 1989, 471, 227-236, https://doi.org/10.1016/S0021-9673(00)94170-0 . [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]

Ramsey and Flanagan, 1982
Ramsey, J.D.; Flanagan, R.J., Detection and Identification of Volatile Organic Compounds in Blood by Headspace Gas Chromatography as an Aid to the Diagnosis of Solvent Abuse, J. Chromatogr., 1982, 240, 2, 423-444, https://doi.org/10.1016/S0021-9673(00)99622-5 . [all data]


Notes

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