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Acetic acid

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Normal alkane RI, non-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 SLB-5 MSHP-5 MS HP-5 MSDB-5
Column length (m) 30.30. 30.30.
Carrier gas HeliumHelium HeliumHydrogen
Substrate      
Column diameter (mm) 0.250.25 0.320.32
Phase thickness (mum) 0.250.25 0.250.50
Program not specified40 0C (5 min) 30 0C/min -> 60 0C 6 0C/min -> 230 0C (10 min)not specifiednot specified40 0C (5 min) 4 0C/min -> 100 0C 6 0C/min -> 220 0C (20 min)
I 630.662.600.600.600.
ReferenceMondello, 2012Grzeszczuk, Wesolowska, et al., 2011Karimi, Farmany, et al., 2011Pino, Marquez, et al., 2010San-Juan, Petka, et al., 2010
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-54RTX-5 MSHP-5HP-5DB-5
Column length (m) 30.30.50.60.30.
Carrier gas HeliumHeliumHeliumHelium 
Substrate      
Column diameter (mm) 0.320.250.320.250.32
Phase thickness (mum) 0.250.251.050.250.25
Program 35 0C (2 min) 10 0C/min -> 50 0C (2 min) 6 0C/min -> 250 0Cnot specifiednot specified30 0C (2 min) 2 0Cmin -> 60 0C 10 0C/min -> 100 0C 20 0C/min -> 140 0C 10 0C/min -> 200 0C (10 min)40C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C(10min)
I 600.606.595.638.610.
ReferenceChristlbauer and Schieberle, 2009Mebazaa, Mahmoudi, et al., 2009Pugliese, Sirtori, et al., 2009Rotsatschakul, Visesanguan, et al., 2009Buettner, 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5SE-54DB-5 MSDB-5BP-5
Column length (m) 30.30.60.30.30.
Carrier gas He HeliumHeliumHe
Substrate      
Column diameter (mm) 0.250.320.320.320.25
Phase thickness (mum) 0.250.251.00.251.
Program 40C(1min) => 7C/min => 110C => 5C/min => 180C => 10C/min => 240C(10min)35C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 10C/min => 230C(10min)40 0C (2 min) 6 0C/min -> 100 0C 4 0C/min -> 180 0C 8 0C/min -> 250 0C (12 min)not specified40C(2min) => 4C/min => 150C => 8C/min => 250C (15min)
I 600.600.594.601.616.
ReferenceGreger and Schieberle, 2007Lasekan, Buettner, et al., 2007Liu, Xu, et al., 2007Pellicer, 2007Helsper, Bücking, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase BPX-5HP-5HP-5SE-54SE-54
Column length (m) 60.50. 30.30.
Carrier gas HeHe HeHe
Substrate      
Column diameter (mm) 0.250.2 0.320.32
Phase thickness (mum) 0.250.5 0.250.25
Program 40C(5min) => 5C/min => 100C => 20C/min => 280C (5min)40C(1min) => 5C/min => 210C => 20C/min => 250C(8min)not specified40C (2min) => 40C/min => 50C(2min) => 6C/min => 180C => 15C/min => 230C(10min)40C (2min) => 40C/min => 50C(2min) => 6C/min => 180C => 15C/min => 230C(10min)
I 618.622.606.610.610.
ReferenceDuflos, Moine, et al., 2005Himanen, Vuorinen, et al., 2005Riu-Aumatell, Lopez-Tamames, et al., 2005Buettner and Welle, 2004Buettner and Welle, 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-54SE-54SE-54HP-5DB-5
Column length (m) 30.30.30.50.50.
Carrier gas HeHeHe  
Substrate      
Column diameter (mm) 0.320.320.320.320.32
Phase thickness (mum) 0.250.250.251.051.05
Program 40C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 15C/min => 230C (10min)40C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 15C/min => 230C (10min)40C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 15C/min => 230C (10min)40C(10min) => 5C/min => 200C => 20C/min => 250C(5min)40C(10min) => 5C/min => 200C => 20C/min => 250C (5min)
I 610.610.610.591.591.
ReferenceBuettner, 2004Buettner, 2004Buettner, 2004Garcia-Estaban, Ansorena, et al., 2004Garcia-Estaban, Ansorena, et al., 2004, 2
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-30Methyl phenyl siloxane (not specified)DB-5SE-54SE-54
Column length (m)    25.25.
Carrier gas      
Substrate      
Column diameter (mm)    0.310.31
Phase thickness (mum)      
Program not specifiednot specifiednot specifiednot specifiednot specified
I 630.612.644.612.614.
ReferenceVinogradov, 2004Poligne, Collignan, et al., 2002Dittmann and Nitz, 2000Ding, Deng, et al., 1998Ding, Deng, et al., 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5DB-5SE-54DB-5DB-5
Column length (m) 50.50.30.50.50.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.320.320.320.320.32
Phase thickness (mum) 0.520.250.250.250.25
Program 35 0C 10 0C/min -> 200 0C (20 min) 5 0C/min -> 230 0C (50 min)40C(10min) => 3C/min => 95C => 10C/min => 270C(10min)35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 240C40C (10min) => 3C/min => 95C => 10C/min => 270C (10min)40C (10min) => 3C/min => 95C => 10C/min => 270C (10min)
I 622.645.600.645.645.
ReferenceTimón, Ventanas, et al., 1998Mateo, Aguirrezábal, et al., 1997Schermann and Schieberle, 1997Mateo and Zumalacárregui, 1996Mateo and Zumalacárregui, 1996
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Methyl SiliconeDB-1DB-1SE-54SE-54
Column length (m)  60.60.50.50.
Carrier gas    He 
Substrate      
Column diameter (mm)  0.320.320.320.32
Phase thickness (mum)  0.250.25  
Program not specifiednot specified3 min at 5 C; 5 - 50 C at 3 deg/min; 50 - 220 C at 5 deg/min35 0C (5 min) 8 0C/min -> 200 0C 2 0C/min -> 250 0C35C(5min) => 8C/min => 200C => 2C/min => 250C
I 634.648.648.660.660.
ReferenceZenkevich, Korolenko, et al., 1995Ciccioli, Cecinato, et al., 1994Ciccioli, Brancaleoni, et al., 1993Um, Bailey, et al., 1992Suzuki and Bailey, 1985
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI

References

Go To: Top, Normal alkane RI, non-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.

Mondello, 2012
Mondello, L., HS-SPME-GCxGC-MS analysis of Yerba Mate (Ilex paraguariensis) in Shimadzu GC-GC application compendium of comprehensive 2D GC, Vol. 1-5, Shimadzu Corp., 2012, 1-29. [all data]

Grzeszczuk, Wesolowska, et al., 2011
Grzeszczuk, M.; Wesolowska, A.; Jadczak, D.; Jakubowska, B., Nutritional value of Chili edible flowers, Acta Sci. Pol. Hortorum Cultus, 2011, 10, 2, 85-94. [all data]

Karimi, Farmany, et al., 2011
Karimi, H.; Farmany, A.; Noorizadeh, H., Prediction of linear retention index of Teucrium chamaedrys volatiles in GCxGC-TOF/MS by linear model, World Appl. Sci. J., 2011, 15, 8, 1086-1088. [all data]

Pino, Marquez, et al., 2010
Pino, J.A.; Marquez, E.; Quijano, C.E.; Castro, D., Volatile compounds in noni (Morinda citrifolia L.) at two ripening stages, Ciencia e Technologia de Alimentos, 2010, 30, 1, 183-187, https://doi.org/10.1590/S0101-20612010000100028 . [all data]

San-Juan, Petka, et al., 2010
San-Juan, F.; Petka, J.; Cacho, J.; Ferreira, V.; Escudero, A., Producing headspace extracts for the gas chromatography - olphactometric evaluation of wine aroma, Food Chemistry, 2010, 123, 1, 188-195, https://doi.org/10.1016/j.foodchem.2010.03.129 . [all data]

Christlbauer and Schieberle, 2009
Christlbauer, M.; Schieberle, P., Characterization of the key aroma compounds in beef and pork vegetable gravies a la chef by application of the aroma extract dilution analysis, J. Agric. Food Chem., 2009, 57, 19, 9114-9112, https://doi.org/10.1021/jf9023189 . [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]

Pugliese, Sirtori, et al., 2009
Pugliese, C.; Sirtori, F.; Ruiz, J.; Martin, D.; Parenti, S.; Franci, O., Effect of pasture on chestnut or acorn on fatty acid composition and aromatic profile of fat of China Senece dry-cured ham, Gracas y Aceites, 2009, 60, 3, 271-276, https://doi.org/10.3989/gya.130208 . [all data]

Rotsatschakul, Visesanguan, et al., 2009
Rotsatschakul, P.; Visesanguan, W.; Smitinont, T.; Chaiseri, S., Changes in volatile compounds during fermentation of nham (Thai fermented sausage), Int. Food Res. J., 2009, 16, 391-414. [all data]

Buettner, 2007
Buettner, A., A selective and sensitive approach to characterize odour-active and volatile constituents in small-scale human milk samples, Flavour Fragr. J., 2007, 22, 6, 465-473, https://doi.org/10.1002/ffj.1822 . [all data]

Greger and Schieberle, 2007
Greger, V.; Schieberle, P., Characterization of the Key Aroma Compounds in Apricots (Prunus armeniaca) by Application of the Molecular Sensory Science Concept, J. Agric. Food Chem., 2007, 55, 13, 5221-5228, https://doi.org/10.1021/jf0705015 . [all data]

Lasekan, Buettner, et al., 2007
Lasekan, O.; Buettner, A.; Christlbauer, M., Investigation of important odorants of palm wine (Elaeis guineensis), Food Chem., 2007, 105, 1, 15-23, https://doi.org/10.1016/j.foodchem.2006.12.052 . [all data]

Liu, Xu, et al., 2007
Liu, Y.; Xu, X.-L.; Zhou, G.-H., Comparative study of volatile compounds in traditional Chinese Nanjing marinated duck by different extraction techniques, Int. J. Food Sci. Technol., 2007, 42, 5, 543-550, https://doi.org/10.1111/j.1365-2621.2006.01264.x . [all data]

Pellicer, 2007
Pellicer, L.V., Comparison of Sensory Characteristics, and Instrumental flavor Compounds Analysis of Milk Produced by Three Proction Methods. A Thesis presented to the Faculty of the Graduate School University of Missouri-Columbia, 2007, retrieved from http://edit.missouri,edu/Winter2007/Theses/ValverdePellicerL-053107-T6722/research.pdf. [all data]

Helsper, Bücking, et al., 2006
Helsper, J.P.F.G.; Bücking, M.; Muresan, S.; Blaas, J.; Wietsma, W.A., Identification of the volatile component(s) causing the characteristic foxy odor in various cultivars of Fritillaria imperialis L. (Liliaceae), J. Agric. Food Chem., 2006, 54, 14, 5087-5091, https://doi.org/10.1021/jf0605594 . [all data]

Duflos, Moine, et al., 2005
Duflos, G.; Moine, F.; Coin, V.M.; Malle, P., Determination of volatile compounds in whiting (Merlangius merlangus) using headspace-solid-phase microextraction-gas chromatography-mass spectrometry, J. Chromatogr. Sci., 2005, 43, 6, 304-312, https://doi.org/10.1093/chromsci/43.6.304 . [all data]

Himanen, Vuorinen, et al., 2005
Himanen, S.; Vuorinen, T.; Tuovinen, T.; Holopainen, J.K., Effects of Cyclamen Mite (Phytonemus pallidus) and Leaf Beetle (Galerucella tenella) Damage on Volatile Emission from Strawberry (Fragaria ´ ananassa Duch.) Plants and Orientation of Predatory Mites (Neoseiulus cucumeris, N. californicus, and Euseius finlandicus), J. Agric. Food Chem., 2005, 53, 8624-8630. [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]

Buettner and Welle, 2004
Buettner, A.; Welle, F., Intra-oral detection of potent odorants using a modified stir-bar sorptive extraction system in combination with HRGC-O, known as the buccal odour screening system (BOSS), Flavour Fragr. J., 2004, 19, 6, 505-514, https://doi.org/10.1002/ffj.1473 . [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]

Garcia-Estaban, Ansorena, et al., 2004
Garcia-Estaban, M.; Ansorena, D.; Astiasaran, I.; Martin, D.; Ruiz, J., Comparison of simultaneous distillation extraction (SDE) and solid-phase microextraction (SPME) for the analysis of volatile compounds in dry-cured ham, J. Sci. Food Agric., 2004, 84, 11, 1364-1370, https://doi.org/10.1002/jsfa.1826 . [all data]

Garcia-Estaban, Ansorena, et al., 2004, 2
Garcia-Estaban, M.; Ansorena, D.; Astiasarán, I.; Ruiz, J., Study of the effect of different fiber coatings and extraction conditions on dry cured ham volatile compounds extracted by solid-phase microextraction (SPME), Talanta, 2004, 64, 2, 458-466, https://doi.org/10.1016/j.talanta.2004.03.007 . [all data]

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

Poligne, Collignan, et al., 2002
Poligne, I.; Collignan, A.; Trystram, G., Effects of salting, drying, cooking, and smoking operations on volatile compound formation and collor patterns in pork, Food Eng. Physical Properties, 2002, 67, 8, 2976-2986. [all data]

Dittmann and Nitz, 2000
Dittmann, B.; Nitz, S., Strategies for the development of reliable QArQC methods when working with mass spectrometry-based chemosensory systems, Sens. Actuators B, 2000, 69, 3, 253-257, https://doi.org/10.1016/S0925-4005(00)00504-9 . [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]

Timón, Ventanas, et al., 1998
Timón, M.L.; Ventanas, J.; Martín, L.; Tejeda, J.F.; García, C., Volatile compounds in supercritical carbon dioxide extracts of Iberian ham, J. Agric. Food Chem., 1998, 46, 12, 5143-5150, https://doi.org/10.1021/jf980652v . [all data]

Mateo, Aguirrezábal, et al., 1997
Mateo, J.; Aguirrezábal, M.; Domínguez, C.; Zumalacárregui, J.M., Volatile compounds in Spanish paprika, J. Food Comp. Anal., 1997, 10, 3, 225-232, https://doi.org/10.1006/jfca.1997.0535 . [all data]

Schermann and Schieberle, 1997
Schermann, P.; Schieberle, P., Evaluation of key odorants in milk chocolate and cocoa mass by aroma extract dilution analyses, J. Agric. Food Chem., 1997, 45, 3, 867-872, https://doi.org/10.1021/jf960670h . [all data]

Mateo and Zumalacárregui, 1996
Mateo, J.; Zumalacárregui, J.M., Volatile compounds in chorizo and their changes during ripening, Meat Sci., 1996, 44, 4, 255-273, https://doi.org/10.1016/S0309-1740(96)00028-9 . [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]

Ciccioli, Cecinato, et al., 1994
Ciccioli, P.; Cecinato, A.; Brancaleoni, E.; Brachetti, A.; Frattoni, M.; Sparapani, R., Composition and Distribution of Polar and Non-Polar VOCs in Urban, Rural, Forest and Remote Areas, Eur Commission EUR, 1994, 549-568. [all data]

Ciccioli, Brancaleoni, et al., 1993
Ciccioli, P.; Brancaleoni, E.; Cecinato, A.; Sparapani, R.; Frattoni, M., Identification and determination of biogenic and anthropogenic volatile organic compounds in forest areas of Northern and Southern Europe and a remote site of the Himalaya region by high-resolution gas chromatography-mass spectrometry, J. Chromatogr., 1993, 643, 1-2, 55-69, https://doi.org/10.1016/0021-9673(93)80541-F . [all data]

Um, Bailey, et al., 1992
Um, K.W.; Bailey, M.E.; Clarke, A.D.; Chao, R.R., Concentration and identification of volatile compounds from heated beef fat using supercritical CO2 extraction-gas liquid chromatography/mass spectrometry, J. Agric. Food Chem., 1992, 40, 9, 1641-1646, https://doi.org/10.1021/jf00021a033 . [all data]

Suzuki and Bailey, 1985
Suzuki, J.; Bailey, M.E., Direct sampling capillary GLC analysis of flavor volatiles from ovine fat, J. Agric. Food Chem., 1985, 33, 3, 343-347, https://doi.org/10.1021/jf00063a006 . [all data]


Notes

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