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Normal alkane RI, polar column, custom temperature program

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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-WaxDB-WaxDB-WaxHP-InnowaxSupelko CO Wax
Column length (m) 30.30.30.60.60.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.250.250.250.250.32
Phase thickness (mum) 0.250.250.250.250.25
Program not specifiednot specifiednot specified40 0C (2 min) 3 0C/min -> 150 0C 5 0C/min -> 220 0C (5 min)40 0C (5 min) 4 0C/min -> 75 0C 5 0C/min -> 250 0C (10 min)
I 1973.1978.2002.2037.2022.
ReferenceWelke, Manfroi, et al., 2012Welke, Manfroi, et al., 2012Welke, Manfroi, et al., 2012Xiao, Dai, et al., 2011Vekiari, Orepoulou, et al., 2010
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Supelko CO WaxDB-FFAPDB-FFAPSupelcowax-10DB-Wax
Column length (m) 60.30.30.30.30.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.320.250.250.250.25
Phase thickness (mum) 0.250.250.250.250.25
Program not specified50 0C 2 0C/min -> 100 0C (5 min) 5 0C/min -> 250 0Cnot specified45 0C 3 0C/min -> 230 0C (10 min) 10 0C/min -> 270 0C (21 min)not specified
I 2020.1996.1998.1978.2007.
ReferenceVekiari, Orepoulou, et al., 2010Mebazaa, Mahmoudi, et al., 2009Mebazaa, Mahmoudi, et al., 2009de Simon, Estruelas, et al., 2009Zhao, Xu, et al., 2009
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxPEG 20MDB-WaxDB-WaxDB-Wax
Column length (m) 30.30.30.30.30.
Carrier gas HeliumHeliumHydrogenHydrogenHe
Substrate      
Column diameter (mm) 0.320.250.250.250.25
Phase thickness (mum) 0.250.250.250.250.25
Program 50 0C 20 0C/min -> 80 0C 3 0C/min -> 230 0C40 0C (3 min) 5 0C/min -> 60 0C 6 0C/min -> 130 0C 10 0C/min -> 230 0C44 0C 3 0C/min -> 170 0C 8 0C/min -> 250 0Cnot specified50 0C (2 min) 6 0C/min -> 150 0C 8 0C/min -> 230 0C (15 min)
I 1989.2004.2007.1984.2000.
ReferenceTao, Wenlai, et al., 2008Zhang, Zhang, et al., 2008Gonzalez-Rios, Suarez-Quiroz, et al., 2007Gonzalez-Rios, Suarez-Quiroz, et al., 2007Tian, Zhang, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Supelcowax-10PEG-20MDB-WaxDB-WaxDB-Wax
Column length (m) 30.30.30.60.60.
Carrier gas He HeHeHe
Substrate      
Column diameter (mm) 0.250.250.320.320.32
Phase thickness (mum) 0.250.250.250.250.25
Program 40C(3min) => 4C/min => 75C => 8C/min => 250C(5min)40C(3min) => 5C/min => 60C => 6C/min => 130C => 10C/min => 230C (10min)45C(5min) => 5C/min => 150C => 10C/min => 240C (10min)30C(4min) => 2C/min => 170C(25min) => 10C/min => 210C(10min)30C(4min) => 2C/min => 170C(25min) => 10C/min => 210C(10min)
I 2020.2004.1993.1996.2000.
ReferenceVichi, Guadayol, et al., 2007Zhang C., Zhang H., et al., 2007Krings, Zelena, et al., 2006Lee, Lee, et al., 2005Lee, Lee, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-InnowaxDB-WaxDB-WaxDB-WaxDB-FFAP
Column length (m) 30.30.30.30.30.
Carrier gas He  HeHe
Substrate      
Column diameter (mm) 0.320.250.250.250.32
Phase thickness (mum) 0.50.250.250.25 
Program 50C(4min) => 10C/min => 230C(10min) => 10C/min => 250C50C(4min) => 4C/min => 130C => 1C/min => 190C => 4C/min => 220C(20min)50C(4min) => 4C/min => 130C => 1C/min => 190C => 4C/min => 220C(20min)25C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C35C => 40C/min => 60C (1min) => 6C/min => 250C
I 2014.1996.2009.1979.1995.
ReferencePiasenzotto, Gracco, et al., 2003Mayorga, Knapp, et al., 2001Mayorga, Knapp, et al., 2001Caldentey, Daria Fumi, et al., 1998Lizárraga-Guerra, Guth, et al., 1997
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxDB-WaxSuperox 0.6; Carbowax 20MCarbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc.
Column length (m) 30.30. 50.50.
Carrier gas  He HydrogenHydrogen
Substrate      
Column diameter (mm) 0.530.25 0.320.32
Phase thickness (mum) 1.0    
Program 40 0C (4 min) 4 0C/min -> 200 0C (20 min)not specifiednot specifiednot specifiednot specified
I 1954.1955.1954.1961.1967.
ReferencePeng, 1996Hatsuko, Kazuko, et al., 1992Peng, Yang, et al., 1991Waggott and Davies, 1984Waggott and Davies, 1984
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.

Welke, Manfroi, et al., 2012
Welke, J.E.; Manfroi, V.; Zanus, M.; Lazarotto, M.; Zini, C.A., Characterization of the volatile profile of Brazilian merlot wines through comprehensive two dimensional gas chromatography time-of-flight mass spectrometric detection, J. Chromatogr. A, 2012, 1226, 124-139, https://doi.org/10.1016/j.chroma.2012.01.002 . [all data]

Xiao, Dai, et al., 2011
Xiao, Z.; Dai, S.; Niu, Y.; Yu, H.; Zhu, J.; Tian, H.; Gu, Y., Discrimination of Chinese vinegars based on headspace solid-phase microextraction - gas chromatography mass spectrometry of volatile compounds and multivariate analysis, J. Food Sci., 2011, 76, 8, c1125-c1135, https://doi.org/10.1111/j.1750-3841.2011.02356.x . [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]

Mebazaa, Mahmoudi, et al., 2009
Mebazaa, R.; Mahmoudi, A.; Fouchet, M.; Dos Santos, M.; Kamissoko, F.; Nafti, A.; Ben Cheikh, R.; Rega, B.; Camel, V., Characterization of volatile compounds in Tunisian fenugreek seeds, Food Chem., 2009, 115, 4, 1326-1336, https://doi.org/10.1016/j.foodchem.2009.01.066 . [all data]

de Simon, Estruelas, et al., 2009
de Simon, B.F.; Estruelas, E.; Munoz, A.M.; Cadahia, E.; Sanz, M., Volatile compounds in acacia, chestnut, cherry, ash, and oak woods, with a view to their use in cooperage, J. Agric. Food Chem., 2009, 57, 8, 3217-3227, https://doi.org/10.1021/jf803463h . [all data]

Zhao, Xu, et al., 2009
Zhao, Y.; Xu, Y.; Li, J.; Fan, W.; Jiang, W., Profile of volatile compounds in 11 brandies by headspace solid-phase microextraction followed by gas chromatography-mass spectrometry, J. Food. Sci., 2009, 74, 2, c90-c99, https://doi.org/10.1111/j.1750-3841.2008.01029.x . [all data]

Tao, Wenlai, et al., 2008
Tao, L.; Wenlai, F.; Yan, X., Characterization of volatile and semi-volatile compounds in Chinese rica wines by headspace solid phase microextraction followed by gas chromatography - mass spectrometry, J. Inst. Brew., 2008, 114, 2, 172-179, https://doi.org/10.1002/j.2050-0416.2008.tb00323.x . [all data]

Zhang, Zhang, et al., 2008
Zhang, C.; Zhang, H.; Wang, L.; Guo, X., Effect of carrot (Daucus carota) antifreeze proteins on texture preperties of frozen dough and volatile compounds of crumb, Food. Sci. Technol. (Lebesmittel-Wissenschaft und Technologie), 2008, 41, 6, 1029-1036, https://doi.org/10.1016/j.lwt.2007.07.010 . [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]

Tian, Zhang, et al., 2007
Tian, Y.; Zhang, X.; Huang, T.; Zou, K.; Zhou, J., Research advances on the essential oils from leaves of Eucalyptus, Food Fermentation Ind. (Chinese), 2007, 33, 10, 143-147. [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]

Zhang C., Zhang H., et al., 2007
Zhang C.; Zhang H.; Wang L.; Gao H.; Guo X.N.; Yao H.Y., Improvement of texture properties and flavor of frozen dough by carrot (Daucus carota) antifreeze protein supplementation, J. Agric. Food Chem., 2007, 55, 23, 9620-9626, https://doi.org/10.1021/jf0717034 . [all data]

Krings, Zelena, et al., 2006
Krings, U.; Zelena, K.; Wu, S.; Berger, R.G., Thin-layer high-vacuum distillation to isolate volatile flavour compounds of cocoa powder, Eur. Food Res. Technol., 2006, 223, 5, 675-681, https://doi.org/10.1007/s00217-006-0252-x . [all data]

Lee, Lee, et al., 2005
Lee, K.-G.; Lee, S.-E.; Takeoka, G.R.; Kim, J.-H.; Park, B.-S., Antioxidant activity and characterization of volatile constituents of beechwood creosote, J. Sci. Food Agric., 2005, 85, 9, 1580-1586, https://doi.org/10.1002/jsfa.2156 . [all data]

Piasenzotto, Gracco, et al., 2003
Piasenzotto, L.; Gracco, L.; Conte, L., Solid phase microextraction (SPME) applied to honey quality control, J. Sci. Food Agric., 2003, 83, 10, 1037-1044, https://doi.org/10.1002/jsfa.1502 . [all data]

Mayorga, Knapp, et al., 2001
Mayorga, H.; Knapp, H.; Winterhalter, P.; Duque, C., Glycosidically bound flavor compounds of cape gooseberry (Physalis peruviana L.), J. Agric. Food Chem., 2001, 49, 4, 1904-1908, https://doi.org/10.1021/jf0011743 . [all data]

Caldentey, Daria Fumi, et al., 1998
Caldentey, P.; Daria Fumi, M.; Mazzoleni, V.; Careri, M., Volatile compounds produced by microorganisms isolated from cork, Flavour Fragr. J., 1998, 13, 3, 185-188, https://doi.org/10.1002/(SICI)1099-1026(199805/06)13:3<185::AID-FFJ723>3.0.CO;2-W . [all data]

Lizárraga-Guerra, Guth, et al., 1997
Lizárraga-Guerra, R.; Guth, H.; López, M.G., Identification of the most potent odorants in huitlacoche (Ustilago maydis) and austern pilzen (Pleurotus sp.) by aroma extract dilution analysis and static head-space samples, J. Agric. Food Chem., 1997, 45, 4, 1329-1332, https://doi.org/10.1021/jf960650f . [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]

Hatsuko, Kazuko, et al., 1992
Hatsuko, S.; Kazuko, H.; Masayoshi, K.; Yoshiaki, I., Improvement of quality of likorine extract by heat treatment, J. Food Sci. Technol., 1992, 39, 11, 976-983, https://doi.org/10.3136/nskkk1962.39.976 . [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]

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]


Notes

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