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Ethanol

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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-WaxCarbowax 20MHP-InnowaxDB-WaxCP-Wax 52 CB
Column length (m) 60. 60.60. 
Carrier gas Helium HeliumHelium 
Substrate      
Column diameter (mm) 0.20 0.250.25 
Phase thickness (mum) 0.25 0.250.50 
Program 40 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 220 0C (20 min) 5 0C/min -> 230 0Cnot specifiednot specified40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min)not specified
I 923.951.942.929.939.
ReferenceGyawali and Kim, 2012Lee, Chong, et al., 2012Feng, Zhuang, et al., 2011Miyazaki, Plotto, et al., 2011Povolo, Cabassi, et al., 2011
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-InnowaxSupelko CO WaxSupelko CO WaxDB-WaxFFAP
Column length (m) 30.60.60.60.50.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.250.320.320.250.20
Phase thickness (mum) 0.250.250.250.250.33
Program 45 0C (1 min) 5 oC/min -> 170 0C 10 0C/min -> 260 0C (1 min)40 0C (5 min) 4 0C/min -> 75 0C 5 0C/min -> 250 0C (10 min)not specified40 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 220 0C (20 min)70 0C (1 min) 3 0C/min -> 142 0C 5 0C/min -> 225 0C (10 min)
I 943.935.932.923.912.
ReferenceCajka, Riddellova, et al., 2010Vekiari, Orepoulou, et al., 2010Vekiari, Orepoulou, et al., 2010Gyawali and Kim, 2009Ortiz, Echeverra, et al., 2009
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Supelcowax 10PEG 20MSupelcowax-10Supelcowax-10Carbowax 20M
Column length (m) 50.30.30.30. 
Carrier gas HeliumHeliumHeHe 
Substrate      
Column diameter (mm) 0.250.250.250.25 
Phase thickness (mum) 0.250.250.250.25 
Program 45 0C (15 min) 3 0C/min -> 75 0C 5 0C/min -> 180 0C (10 min)40 0C (3 min) 5 0C/min -> 60 0C 6 0C/min -> 130 0C 10 0C/min -> 230 0C35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min)35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min)not specified
I 928.910.932.937.924.
ReferenceSoria, Martinez-Castro, et al., 2008Zhang, Zhang, et al., 2008Berard, Bianchi, et al., 2007Berard, Bianchi, et al., 2007Dury-Brun, Fournier, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxFFAPHP-InnowaxBP-20
Column length (m) 30.30.50.30.30.
Carrier gas HydrogenHydrogenHeHeliumHe
Substrate      
Column diameter (mm) 0.250.250.20.250.25
Phase thickness (mum) 0.250.250.330.250.25
Program 44 0C 3 0C/min -> 170 0C 8 0C/min -> 250 0Cnot specified70C(1min) => 3C/min => 142C => 5C/min => 225C (10min)30 0C (5 min) 5 0C/min -> 100 0C (5 min) 1 0C/min -> 130 0C 10 0C/min -> 195 0C (45 min)50C(1min) => 2.5C/min => 100C => 2C/min => 180C => 15C/min => 220C
I 934.929.932.930.929.
ReferenceGonzalez-Rios, Suarez-Quiroz, et al., 2007Gonzalez-Rios, Suarez-Quiroz, et al., 2007Lara, Echeverría, et al., 2007Narain, Galvao, et al., 2007Pontes, Marques, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase BP-20PEG-20MDB-WaxSupelcowax-10Supelcowax-10
Column length (m) 30.30.60.60.60.
Carrier gas He HeHeHe
Substrate      
Column diameter (mm) 0.250.250.20.320.32
Phase thickness (mum) 0.250.250.250.250.25
Program 50C(1min) => 2.5C/min => 100C => 2C/min => 180C => 15C/min => 220C40C(3min) => 5C/min => 60C => 6C/min => 130C => 10C/min => 230C (10min)40C(3min) => 2C/min => 150C => 4C/min => 220C(20min) => 5C/min => 230C35C(3min) => 5C/min => 110C => 10C/min => 240C (10min)35C(3min) => 5C/min => 110C => 10C/min => 240C (10min)
I 929.910.927.905.905.
ReferencePontes, Marques, et al., 2007Zhang C., Zhang H., et al., 2007Gyawalia, Seo, et al., 2006Kourkoutas, Bosnea, et al., 2006Kourkoutas, Kandylis, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase FFAPDB-WaxDB-FFAPFFAPDB-Wax
Column length (m) 50.60.30.50.60.
Carrier gas HeHeHeHeHelium
Substrate      
Column diameter (mm) 0.20.250.320.20.25
Phase thickness (mum) 0.330.250.250.330.25
Program 70C(1min) => 3C/min => 142C => 5C/min => 225C(10min)35C(5min) => 2C/min => 50C => 5C/min => 200C (5min)40C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C (10min)70C(1min) => 3C/min => 142C => 5C/min => 225C(10min)60 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 200 0C
I 932.916.930.932.941.
ReferenceLara, Graell, et al., 2006Mattheis, Fan, et al., 2005Buettner, 2004Echeverría, Correa, et al., 2004Kim. J.H., Ahn, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Carbowax 20MCarbowax 20MHP-FFAPFFAPCross-linked FFAP
Column length (m)   50.50.50.
Carrier gas   HeN2N2
Substrate      
Column diameter (mm)   0.20.20.2
Phase thickness (mum)   0.330.330.33
Program not specifiednot specified70C(1min) => 3C/min => 142C => 5C/min => 225C (10min)70C(1min) => 3C/min => 142C(2min) => 25C/min => 230C(5min)70C(1min) => 3C/min => 142C (2min) => 25C/min => 230C(5min)
I 922.940.932.936.936.
ReferenceVinogradov, 2004Vinogradov, 2004Echeverria, Fuentes, et al., 2003Lopez, Lavilla, et al., 2000Lavilla, Puy, et al., 1999
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Supelcowax-10CP-Wax 52CBFFAPPolyethylene GlycolDB-Wax
Column length (m) 60.50.50. 60.
Carrier gas HeHeN2 He
Substrate      
Column diameter (mm) 0.530.250.2 0.25
Phase thickness (mum) 1.0.20.33 0.25
Program 40C (2min) => 16C/min => 120C => 15C/min => 240C(3min)30C (1.5min) => 3C/min => 120C => 10C/min => 220C (3.5min)70C (1min) => 3C/min => 142C (2min) => 25C/min => 230C (5min)not specified35C (5min) => 2C/min => 50C => 5C/min => 200C(5min)
I 950.926.936.925.934.
ReferenceForney and Jordan, 1998Jakobsen, Hansen, et al., 1998López, Lavilla, et al., 1998Zenkevich, Korolenko, et al., 1995Mattheis, Buchanan, et al., 1992
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxCarbowax 20MCarbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc.Carbowax 20M
Column length (m) 60.  50. 
Carrier gas He  Hydrogen 
Substrate      
Column diameter (mm) 0.25  0.32 
Phase thickness (mum) 0.25    
Program 35C (5min) => 2C/min => 50C => 5C/min => 200C(5min)not specifiednot specifiednot specifiednot specified
I 934.944.900.940.919.
ReferenceMattheis, Buchanan, et al., 1992Peng, Yang, et al., 1991Shibamoto, 1987Waggott 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.

Gyawali and Kim, 2012
Gyawali, R.; Kim, K.-S., Bioactive volatile compounds of three medicinal plants from Nepal, Kathmandu Univ. J. Sci., Engineering and Technol., 2012, 8, 1, 51-62. [all data]

Lee, Chong, et al., 2012
Lee, P.-R.; Chong, I.S.-M.; Yu, B.; Curran, P.; Liu, S.-Q., Effect of precursors on volatile compounds in Papaya wine fermented by mixed yeasts, Uncorrected proof, 2012, 000-000. [all data]

Feng, Zhuang, et al., 2011
Feng, T.; Zhuang, H.; Ye, R.; Jin, Z.; Xu, X.; Xie, Z., Analysis of volatile compounds of Mesona Blumes gum/rice extrudates via GC-MS and electronic nose, Sensors and Actuators B: Chemical, 2011, 160, 1, 964-973, https://doi.org/10.1016/j.snb.2011.09.013 . [all data]

Miyazaki, Plotto, et al., 2011
Miyazaki, T.; Plotto, A.; Goodner, K.; Gmitter F.G., Distribution of aroma volatile compounds in tangerine hybrids and proposed inheritance, J. Sci. Food Agric., 2011, 91, 3, 449-460, https://doi.org/10.1002/jsfa.4205 . [all data]

Povolo, Cabassi, et al., 2011
Povolo, M.; Cabassi, G.; Profaizer, M.; Lanteri, S., Study on the use of evolved gas analysis FT-IR (EGA FT-IR) for the evaluation of cheese volatile fraction, The Open Food Sci. J., 2011, 5, 1, 10-16, https://doi.org/10.2174/1874256401105010010 . [all data]

Cajka, Riddellova, et al., 2010
Cajka, T.; Riddellova, K.; Klimankova, E.; Carna, M.; Pudil, F.; Hajslova, J., Traceability of olive oil based on volatiles pattern and multivariante analysis, Food Chem., 2010, 121, 1, 282-289, https://doi.org/10.1016/j.foodchem.2009.12.011 . [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]

Gyawali and Kim, 2009
Gyawali, R.; Kim, K.-S., Volatile organic compounds of medicinal values from Nepalese Acorus calamus L., Kathmandu Univ. J. Sci. Eng. Technol., 2009, 5, II, 51-65. [all data]

Ortiz, Echeverra, et al., 2009
Ortiz, A.; Echeverra, G.; Graell, J.; Lara, I., Calcium dips enhance volatile emission of cold-stored Fuji Kiki-8 apples, J. Agric. Food Chem., 2009, 57, 11, 4931-4938, https://doi.org/10.1021/jf9003576 . [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]

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]

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]

Dury-Brun, Fournier, et al., 2007
Dury-Brun, C.; Fournier, N.; Pernin, K.; Guichard, E.; Voilley, A., A new approach to studying sponge cake aroma after storage in treated paper and plastic packaging by direct gas chromatography?olfactometry (D-GC-O), Flavour Fragr. J., 2007, 22, 4, 255-264, https://doi.org/10.1002/ffj.1788 . [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]

Lara, Echeverría, et al., 2007
Lara, I.; Echeverría, G.; Graell, J.; López, M.L., Volatile Emission after Controlled Atmosphere Storage of Mondial Gala Apples (Malus domestica): Relationship to Some Involved Enzyme Activities, J. Agric. Food Chem., 2007, 55, 15, 6087-6095, https://doi.org/10.1021/jf070464h . [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]

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]

Gyawalia, Seo, et al., 2006
Gyawalia, R.; Seo, H.-Y.; Lee, H.-J.; Song, H.-P.; Kim, D.-H.; Byun, M.-W.; Kim, K.-S., Effect of «gamma»-irradiation on volatile compounds of dried Welsh onion (Allium fistulosum L.), Radiat. Phys. Chem., 2006, 75, 2, 322-328, https://doi.org/10.1016/j.radphyschem.2005.07.001 . [all data]

Kourkoutas, Bosnea, et al., 2006
Kourkoutas, Y.; Bosnea, L.; Taboukos, S.; Baras, C.; Lambrou, D.; Kanellaki, M., Probiotic Cheese Production Using Lactobacillus casei Cells Immobilized on Fruit Pieces, J. Dairy Sci., 2006, 89, 5, 1439-1451, https://doi.org/10.3168/jds.S0022-0302(06)72212-3 . [all data]

Kourkoutas, Kandylis, et al., 2006
Kourkoutas, Y.; Kandylis, P.; Panas, P.; Dooley, J.S.G.; Nigam, P.; Koutinas, A.A., Evaluation of freeze-dried kefir coculture as starter in feta-type cheese production, Appl. Environ. Microbiol., 2006, 72, 9, 6124-6135, https://doi.org/10.1128/AEM.03078-05 . [all data]

Lara, Graell, et al., 2006
Lara, I.; Graell, J.; López, M.L.; Echeverría, G., Multivariate analysis of modifications in biosynthesis of volatile compounds after CA storage of 'Fuji' apples, Postharvest Biol. Technol., 2006, 39, 1, 19-28, https://doi.org/10.1016/j.postharvbio.2005.09.001 . [all data]

Mattheis, Fan, et al., 2005
Mattheis, J.P.; Fan, X.; Argenta, L.C., Interactive Responses of Gala Apple Fruit Volatile Production to Controlled Atmosphere Storage and Chemical Inhibition of Ethylene Action, J. Agric. Food Chem., 2005, 53, 11, 4510-4516, https://doi.org/10.1021/jf050121o . [all data]

Buettner, 2004
Buettner, A., Investigation of potent odorants and afterodor development in two chardonnay wines using the Buccal Odor Screening System (BOSS), J. Agric. Food Chem., 2004, 52, 8, 2339-2346, https://doi.org/10.1021/jf035322b . [all data]

Echeverría, Correa, et al., 2004
Echeverría, G.; Correa, E.; Ruiz-Altisent, M.; Graell, J.; Puy, J.; López, L., Characterization of Fuji apples from different harvest dates and storage conditions from measurements of volatiles by gas chromatography and electronic nose, J. Agric. Food Chem., 2004, 52, 10, 3069-3076, https://doi.org/10.1021/jf035271i . [all data]

Kim. J.H., Ahn, et al., 2004
Kim. J.H.; Ahn, H.J.; Yook, H.S.; Kim, K.S.; Rhee, M.S.; Ryu, G.H.; Byun, M.W., Color, flavor, and sensory characteristics of gamma-irradiated salted and fermented anchovy sauce, Radiation Phys. Chem., 2004, 69, 2, 179-187, https://doi.org/10.1016/S0969-806X(03)00400-6 . [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Echeverria, Fuentes, et al., 2003
Echeverria, G.; Fuentes, M.T.; Graell, J.; Lopez, M.L., Relationships between volatile production, fruit quality and sensory evaluation of Fuji apples stored in different atmospheres by means of multivariate analysis, J. Sci. Food Agric., 2003, 84, 1, 5-20, https://doi.org/10.1002/jsfa.1554 . [all data]

Lopez, Lavilla, et al., 2000
Lopez, M.L.; Lavilla, M.T.; Recasens, I.; Graell, J.; Vendrell, M., Changes in aroma quality of 'Golden Delicious' apples after storage at different oxygen and carbon dioxide concentrations, J. Sci. Food Agric., 2000, 80, 3, 311-324, https://doi.org/10.1002/1097-0010(200002)80:3<311::AID-JSFA519>3.0.CO;2-F . [all data]

Lavilla, Puy, et al., 1999
Lavilla, T.; Puy, J.; López, M.L.; Recasens, I.; Vendrell, M., Relationships between volatile production, fruit quality, and sensory evaluation in Granny Smith apples stored in different controlled-atmosphere treatments by means of multivariate analysis, J. Agric. Food Chem., 1999, 47, 9, 3791-3803, https://doi.org/10.1021/jf990066h . [all data]

Forney and Jordan, 1998
Forney, C.F.; Jordan, M.A., Induction of volatile compounds in broccoli by postharvest hot-water dips, J. Agric. Food Chem., 1998, 46, 12, 5295-5301, https://doi.org/10.1021/jf980443a . [all data]

Jakobsen, Hansen, et al., 1998
Jakobsen, H.B.; Hansen, M.; Christensen, M.R.; Brockhoff, P.B.; Olsen, C.E., Aroma volatiles of blanched green peas (Pisum sativum L.), J. Agric. Food Chem., 1998, 46, 9, 3727-3734, https://doi.org/10.1021/jf980026y . [all data]

López, Lavilla, et al., 1998
López, M.L.; Lavilla, T.; Recasens, I.; Riba, M.; Vendrell, M., Influence of different oxygen and carbon dioxide concentrations during storage on production of volatile compounds by Starking delicious apples, J. Agric. Food Chem., 1998, 46, 2, 634-643, https://doi.org/10.1021/jf9608938 . [all data]

Zenkevich, Korolenko, et al., 1995
Zenkevich, I.G.; Korolenko, L.I.; Khralenkova, N.B., Desorption with solvent vapor as a method of sample preparation in the sorption preconcentration of organic-compounds from the air of a working area and from industrial-waste gases, J. Appl. Chem. USSR (Engl. Transl.), 1995, 50, 10, 937-944. [all data]

Mattheis, Buchanan, et al., 1992
Mattheis, J.P.; Buchanan, D.A.; Fellman, J.K., Volatile compounds emitted by sweet cherries (Prunus avium Cv. Bing) during fruit development and ripening, J. Agric. Food Chem., 1992, 40, 3, 471-474, https://doi.org/10.1021/jf00015a022 . [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]

Shibamoto, 1987
Shibamoto, T., Retention Indices in Essential Oil Analysis in Capillary Gas Chromatography in Essential Oil Analysis, Sandra, P.; Bicchi, C., ed(s)., Hutchig Verlag, Heidelberg, New York, 1987, 259-274. [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