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2-Furancarboxaldehyde, 5-methyl-

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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 TR-5 MSSLB-5 MSSLB-5 MSPolydimethyl siloxane with 5 % Ph groupsPolydimethyl siloxane with 5 % Ph groups
Column length (m) 15.30.30.  
Carrier gas HeliumHeliumHelium  
Substrate      
Column diameter (mm) 0.250.250.25  
Phase thickness (mum) 0.250.250.25  
Program 35 0C (3 min) 2 0C/min -> 60 0C (3 min) 2 0C/min -> 80 0C (3 min) 4 0C/min -> 120 0C (3 min) 5 0C/min -> 150 0C (3 min) 15 0C/min -> 240 0C (10 min)not specifiednot specifiednot specifiednot specified
I 946.960.963.964.970.
ReferenceKurashov, Mitrukova, et al., 2014Mondello, 2012Mondello, 2012Robinson, Adams, et al., 2012Robinson, Adams, et al., 2012
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5 MSVF-5 MSRTX-5 MSRTX-5 MSZB-5
Column length (m) 30.30.30.30.30.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.320.250.250.250.25
Phase thickness (mum) 0.250.250.250.250.25
Program 40 0C (1 min) 3 0C/min -> 150 0C (15 min) 5 0C/min -> 250 0C (5 min)not specified50 0C (5 min) 2 0C/min -> 100 0C (5 min) 5 0C/min -> 300 0Cnot specified45 0C 3 0C/min -> 230 0C (10 min) 10 0C/min -> 270 0C (21 min)
I 937.978.960.964.965.
ReferenceRodrigues, Hanson, et al., 2012Liu, Lu, et al., 2011Mebazaa, Mahmoudi, et al., 2009Mebazaa, Mahmoudi, et al., 2009de Simon, Estruelas, et al., 2009
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5SLB-5MSNonpolarHP-5 MSHP-5
Column length (m) 30.10. 30.30.
Carrier gas HeliumHelium Helium 
Substrate      
Column diameter (mm) 0.250.18 0.250.25
Phase thickness (mum) 0.250.18 0.250.25
Program not specifiednot specifiednot specified50 0C (2 min) 20 0C/min -> 80 0C (1 min) 20 0C -> 100 0C (1 min) 30 0C/min -> 230 0C (2 min)40 0C (2 min) 5 0C/min -> 80 0C 7 oC/min -> 160 0C 9 0C/min -> 200 0C 20 0C/min -> 280 0C (10 min)
I 962.960.978.964.968.
ReferenceBastos, Ishimoto, et al., 2008Risticevic, Carasek, et al., 2008Staples and Zeiger, 2008Wan Aida, Ho, et al., 2008Zhao, Li, et al., 2008
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5SPB-1DB-5 MSHP-5MSDB-5
Column length (m) 30.30.30.30.30.
Carrier gas  HeHeliumHeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (mum) 0.250.250.250.250.25
Program not specified40C(10min) => 2C/min => 200C(1min) => 2C/min => 250C (10min)45 0C (0.75 min) 10 0C/min -> 200 0C 30 0C/min -> 245 0C (1.25 min)50C(2min) => 20C/min => 80C (1min) => 20C/min => 100C(1min) => 30C/min => 230C(3min)not specified
I 972.926.969.964.962.
ReferenceZhao, Li, et al., 2008Bosch-Fuste, Riu-Aumatell, et al., 2007Cajka, Hajslova, et al., 2007Ho, Wan Aida, et al., 2007Machado, Bastos, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1HP-5MSPolydimethyl siloxane with 5 % Ph groupsCP Sil 5 CBSE-30
Column length (m) 30.30. 50. 
Carrier gas HeliumHe   
Substrate      
Column diameter (mm) 0.250.25 0.32 
Phase thickness (mum)  0.25 1.2 
Program 120 0C (2 min( 5 0C/min -> 200 0C 10 0C/min -> 290 0C (5 min)40C(1min) => 8C/min => 160C => 12C/min => 300C(5min)not specified36C => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C(30min)not specified
I 927.986.962.928.942.
ReferenceSung, Stone, et al., 2007Li, Deng, et al., 2006Pino, Marbot, et al., 2005Counet, Ouwerx, et al., 2004Vinogradov, 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP Sil 5 CBCP Sil 5 CBHP-5HP-5Methyl phenyl siloxane (not specified)
Column length (m) 50.50.30.30. 
Carrier gas  He   
Substrate      
Column diameter (mm) 0.320.320.250.25 
Phase thickness (mum) 1.21.20.250.25 
Program 36C => 20C/min => 85C => 1C/min => 145C=3C/min => 250C(30min)36C => 20C/min => 85C => 1C/min => 145C => 3C/min => 250Cnot specified40C (6min) => 2.5C/min => 150C => 90C/min => 250Cnot specified
I 931.929.976.945.966.
ReferenceCounet, Callemien, et al., 2002Guyot-Declerck, Renson, et al., 2002Jordán, Goodner, et al., 2002Jordán, Margaría, et al., 2002Poligne, Collignan, et al., 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-1CP Sil 5 CBCP Sil 5 CBCP Sil 5 CBDB-5
Column length (m) 50.50.50.25.50.
Carrier gas N2HeHeHeHe
Substrate      
Column diameter (mm) 0.320.320.32 0.32
Phase thickness (mum) 0.52 1.20.390.25
Program 40C => 2C/min => 130C => 4C/min => 250C30C => 55C/min => 85C => 1C/min => 145C => 3C/min => 250C30C => 55C/min => 85C => 1C/min => 145C => 3C/min => 250Cnot specified40C(10min) => 3C/min => 95C => 10C/min => 270C(10min)
I 934.935.935.929.973.
ReferenceTeai, Claude-Lafontaine, et al., 2001Guyot, Scheirman, et al., 1999Guyot, Bouseta, et al., 1998Weyerstahl, Marschall, et al., 1998Mateo, Aguirrezábal, et al., 1997
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-5DB-1DB-5
Column length (m) 50.50.60.30.
Carrier gas HeHe He
Substrate     
Column diameter (mm) 0.320.320.320.32
Phase thickness (mum) 0.250.250.25 
Program 40C (10min) => 3C/min => 95C => 10C/min => 270C (10min)40C (10min) => 3C/min => 95C => 10C/min => 270C (10min)not specified35C => 40C/min => 50C(2min) => 4C/min => 240C
I 971.972.927.957.
ReferenceMateo and Zumalacárregui, 1996Mateo and Zumalacárregui, 1996Ciccioli, Cecinato, et al., 1994Schieberle and Grosch, 1994
Comment 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.

Kurashov, Mitrukova, et al., 2014
Kurashov, E.A.; Mitrukova, G.G.; Krylova, Yu.V., Variations in the component composition of essential oil of Ceratophyllum demersum (Ceratophyllaceae) during vegetation (in press), Plant Resources (Rastitel'nye Resursy), 2014, 1, 000-000. [all data]

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]

Robinson, Adams, et al., 2012
Robinson, A.L.; Adams, D.O.; Boss, P.K.; Heymann, H.; Solomon, P.S.; Trengove, R.D., Influence of geographic origine on the sensory characteristics and wine composition of Vitus viniferas cv. Cabernet Sauvignon wines from Australia (Supplemental data), Am. J. Enol. Vitic., 2012, 64, 4, 467-476, https://doi.org/10.5344/ajev.2012.12023 . [all data]

Rodrigues, Hanson, et al., 2012
Rodrigues, C.I.I.; Hanson, C.M.; Nogueira, J.M.F., Coffees and industrial blends aroma profile discrimination according to the chromatic value, Coffee Sci, Lavras, 2012, 7, 2, 167-176. [all data]

Liu, Lu, et al., 2011
Liu, S.; Lu, S.; Su, Y.; Guo, Y., Analysis of volatile compounds in Radix Bupleuri injection by GC-MS-MS, Chromatographia, 2011, 74, 5-6, 497-502, https://doi.org/10.1007/s10337-011-2082-7 . [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]

Bastos, Ishimoto, et al., 2008
Bastos, D.H.M.; Ishimoto, E.Y.; Marques, O.M.; Ferri, A.F.; Torres, E.A.F.S., Essential Oil and Antioxidant Activity of Green Mate and Mate Tea (Ilex paraguariensis) Infusions, 2008, retrieved from http://www.aseanfood.info/Articles/11016488.pdf. [all data]

Risticevic, Carasek, et al., 2008
Risticevic, S.; Carasek, E.; Pawliszyn, J., Headspace solid-phase microextraction-gas chromatographic-time-of-flight mass spectrometric methodology for geographical origin verification of coffee, Anal. Chim. Acta, 2008, 617, 1-2, 72-84, https://doi.org/10.1016/j.aca.2008.04.009 . [all data]

Staples and Zeiger, 2008
Staples, E.; Zeiger, K., On-Site Measurements of VOCs and Odors from Metal Casting Operations Using an Ultra-Fast Gas Chromatograph, 2008, retrieved from http://www.estcal.com/TechPapers/Industrial/FoundryOdors.doc. [all data]

Wan Aida, Ho, et al., 2008
Wan Aida, W.M.; Ho, C.W.; Maskat, M.Y.; Osman, H., Relating descriptive sensory analysis to gas chromatography / mass spectrometry of palm sugars using partial least squares regression, ASEAN Food J., 2008, 15, 1, 35-45. [all data]

Zhao, Li, et al., 2008
Zhao, Y.; Li, J.; Xu, Y.; Duan, H.; Fan, W.; Zhao, G., EXtraction, preparation and identification of volatile compounds in Changyu XO brandy, Chinese J. Chromatogr., 2008, 26, 2, 212-222, https://doi.org/10.1016/S1872-2059(08)60014-0 . [all data]

Bosch-Fuste, Riu-Aumatell, et al., 2007
Bosch-Fuste, J.; Riu-Aumatell, M.; Guadayol, J.M.; Caixach, J.; Lopez-Tamames, E.; Buxaderas, S., Volatile profiles of sparkling wines obtained by three extraction methods and gas chromatography-mass spectrometry (GC-MS) analysis, Food Chem., 2007, 105, 1, 428-435, https://doi.org/10.1016/j.foodchem.2006.12.053 . [all data]

Cajka, Hajslova, et al., 2007
Cajka, T.; Hajslova, J.; Cochran, J.; Holadova, K.; Klimankova, E., Solid phase microextraction - comprehensive two dimensional gas chromatography - time-of-flight mass spectrometry for the analysis of honey volatiles, J. Sep. Sci., 2007, 30, 4, 534-546, https://doi.org/10.1002/jssc.200600413 . [all data]

Ho, Wan Aida, et al., 2007
Ho, C.W.; Wan Aida, W.M.; Maskat, M.Y.; Osman, H., Changes in volatile compounds of palm sap (Arenga pinnata) during the heating process for production of palm sugar, Food Chem., 2007, 102, 4, 1156-1162, https://doi.org/10.1016/j.foodchem.2006.07.004 . [all data]

Machado, Bastos, et al., 2007
Machado, C.C.B.; Bastos, D.H.M.; Janzantti, N.S.; Facanali, R.; Marques, M.M.; Franco, M.R.B., Determinação do perfil de compostos voláteis e avaliação do sabor e aroma de bebidas produzidas a partir da erva-mate (Ilex paraguariensis), Quim. Nova, 2007, 30, 3, 513-518, https://doi.org/10.1590/S0100-40422007000300002 . [all data]

Sung, Stone, et al., 2007
Sung, W.-C.; Stone, M.; Sun, F.-M., Analysis of volatile constituents of different temperature rice hulls liquid smoke, Chi-Nan Annual Bull., 2007, 33, 1-12. [all data]

Li, Deng, et al., 2006
Li, N.; Deng, C.; Li, Y.; Ye, H.; Zhang, X., Gas chromatography-mass spectrometry following microwave distillation and headspace solid-phase microextraction for fast analysis of essential oil in dry traditional Chinese medicine, J. Chromatogr. A, 2006, 1133, 1-2, 29-34, https://doi.org/10.1016/j.chroma.2006.08.046 . [all data]

Pino, Marbot, et al., 2005
Pino, J.A.; Marbot, R.; Rosado, A.; Vázquez, C., Volatile constituents of Malay rose apple [Syzygium malaccense (L.) Merr. Perry], Flavour Fragr. J., 2005, 20, 98-100. [all data]

Counet, Ouwerx, et al., 2004
Counet, C.; Ouwerx, C.; Rosoux, D.; Collin, S., Relationship between procyanidin and flavor contents of cocoa liquors from different origins, J. Agric. Food Chem., 2004, 52, 20, 6243-6249, https://doi.org/10.1021/jf040105b . [all data]

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

Counet, Callemien, et al., 2002
Counet, C.; Callemien, D.; Ouwerx, C.; Collin, S., Use of gas chromatography-olfactometry to identify key odorant compounds in dark chocolate. Comparison of samples before and after conching, J. Agric. Food Chem., 2002, 50, 8, 2385-2391, https://doi.org/10.1021/jf0114177 . [all data]

Guyot-Declerck, Renson, et al., 2002
Guyot-Declerck, C.; Renson, S.; Bouseta, A.; Collin, S., Floral quality and discrimination of Lavandula stoechas, Lavandula angustifolia, and Lavandula angustifolia × latifolia honeys, Food Chem., 2002, 79, 4, 453-459, https://doi.org/10.1016/S0308-8146(02)00216-9 . [all data]

Jordán, Goodner, et al., 2002
Jordán, M.J.; Goodner, K.L.; Shaw, P.E., Characterization of the aromatic profile in aqueous essence and fruit juice of yellow passion fruit (Passiflora edulis Sims F. Flavicarpa degner) by GC-MS and GC/O, J. Agric. Food Chem., 2002, 50, 6, 1523-1528, https://doi.org/10.1021/jf011077p . [all data]

Jordán, Margaría, et al., 2002
Jordán, M.J.; Margaría, C.A.; Shaw, P.E.; Goodner, K.L., Aroma active components in aqueous kiwi fruit essence and kiwi fruit puree by GC-MS and multidimensional GC/GC-O, J. Agric. Food Chem., 2002, 50, 19, 5386-5390, https://doi.org/10.1021/jf020297f . [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]

Teai, Claude-Lafontaine, et al., 2001
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Guyot, Scheirman, et al., 1999
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Guyot, Bouseta, et al., 1998
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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]

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]

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]

Schieberle and Grosch, 1994
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Notes

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