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1-Butanol, 3-methyl-

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Normal alkane RI, non-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 RTX-1HP-5Siloxane, 5 % PhDB-5Polydimethyl siloxane, 5 % phenyl
Column length (m) 60.30. 60. 
Carrier gas HeliumHelium Helium 
Substrate      
Column diameter (mm) 0.220.25 0.25 
Phase thickness (mum) 0.250.25 1.00 
Program not specified30 0C (1 min) 2 0C/min -> 100 0C (5 min) 5 0C/min -> 170 0Cnot specified40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min)not specified
I 705.735.755.729.755.
ReferenceBendiabdellah, El Amine Dib, et al., 2012Fang, Pu, et al., 2012VOC BinBase, 2012Miyazaki, Plotto, et al., 2011Skogerson, Wohlgemuth, et al., 2011
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP Sil-5 CBRTX-1HP-5 MSCP-Sil 5 CBDB-5
Column length (m) 50.60.30.50.30.
Carrier gas NitrogenHeliumHeliumNitrogenHelium
Substrate      
Column diameter (mm) 0.320.220.320.320.25
Phase thickness (mum) 1.200.250.251.200.25
Program 36 0C 20 0C/min -> 85 0C 1 0C/min -> 145 0C 3 0C/min -> 250 0Cnot specifiednot specified36 0C 20 0C/min -> 85 0C 1 0C -> 145 0C 3 0C/min -> 250 0C50 0C m6 0C/min -> 140 0C 5 0C/min -> 160 0C (1 min) 10 0C/min -> 200 0C
I 707.710.741.707.768.
ReferenceBailly and Collin, 2010Dib, Djabou, et al., 2010Pino, Marquez, et al., 2010Bailly, Jerkovic, et al., 2009Courtois, Paine, et al., 2009
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5CP-Sil 5 CbSE-54HP-5HP-5 MS
Column length (m) 60.50. 50.30.
Carrier gas HeliumNitrogenHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.250.32 0.320.25
Phase thickness (mum) 0.251.20 1.050.25
Program 30 0C (2 min) 2 0Cmin -> 60 0C 10 0C/min -> 100 0C 20 0C/min -> 140 0C 10 0C/min -> 200 0C (10 min)40 0C 20 0C/min -> 85 0C 1 0C/min -> 145 0C 3 0C/min -> 250 0C (30 min)not specified40 0C (10 min) 5 0C/min -> 200 0C 15 0C/min -> 250 0C (10 min)40 0C (2 min) 4 0C/min -> 220 0C 20 0C/min -> 280 0C
I 736.715.736.736.732.
ReferenceRotsatschakul, Visesanguan, et al., 2009Collin, Nizet, et al., 2008Frauendorfer and Schieberle, 2008Ventanas, Estevez, et al., 2008Xie, Sun, et al., 2008
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5HP-5HP-1HP-1Methyl Silicone
Column length (m) 30.30.50.50. 
Carrier gas   HeHe 
Substrate      
Column diameter (mm) 0.250.250.20.2 
Phase thickness (mum) 0.250.250.330.33 
Program 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)not specified40C(2min) => 2C/min => 200C => 15C/min => 250C (30min)40C(2min) => 2C/min => 200C => 15C/min => 250C (30min)not specified
I 744.745.718.713.725.
ReferenceZhao, Li, et al., 2008Zhao, Li, et al., 2008Barra, Baldovini, et al., 2007Barra, Baldovini, et al., 2007Chen and Feng, 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase VB-5SE-54HP-5CP-Sil 5 CBCP Sil 5 CB
Column length (m) 60.30. 50.50.
Carrier gas He HeHeliumHe
Substrate      
Column diameter (mm) 0.250.32 0.320.32
Phase thickness (mum) 1.0.25 1.201.2
Program 35C(1min) => 4C/min => 175C => 10C/min => 260C35C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 10C/min => 230C(10min)50C => 3C/min => 200C(10min) => 10C/min => 290C(10min)36 0C 20 0C/min -> 85 0C 1 0C/min -> 1345 0C 3 0C/min -> 250 0C36C => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C
I 731.738.737.707.707.
ReferenceKarlshøj, Nielsen, et al., 2007Lasekan, Buettner, et al., 2007Splivallo, Bossi, et al., 2007Bailly, Jerkovic, et al., 2006Bailly, Jerkovic, et al., 2006, 2
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Methyl SiliconeSPB-1BPX-5RTX-5BPX-5
Column length (m)  30.60.30.60.
Carrier gas   HeN2He
Substrate      
Column diameter (mm)  0.250.320.250.25
Phase thickness (mum)  0.251.0.250.25
Program not specifiednot specified40C(4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250Cnot specified40C(5min) => 5C/min => 100C => 20C/min => 280C (5min)
I 725.719.741.736.742.
ReferenceKou, Zhang, et al., 2006Riu-Aumatell, Bosch-Fuste´, et al., 2006van Ruth, Floris, et al., 2006Ádámová, Orinák, et al., 2005Duflos, Moine, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP-Sil5 CB MSMDN-5Polydimethyl siloxane with 5 % Ph groupsHP-5SE-54
Column length (m) 50.30. 60.30.
Carrier gas     He
Substrate      
Column diameter (mm) 0.320.25 0.320.32
Phase thickness (mum) 1.20.25 1.0.25
Program 36C(2min) => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C(30min)not specifiednot specifiednot specified40C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 15C/min => 230C (10min)
I 715.735.736.727.739.
ReferenceIraqi, Vermeulen, et al., 2005Jelen and Grabarkiewicz-Szczesna, 2005Pino, Marbot, et al., 2005Thierry, Maillard, et al., 2005Buettner, 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase MFE-73HP-5DB-5DB-5MSHP-5
Column length (m)  50.50.30.30.
Carrier gas    HeHe
Substrate      
Column diameter (mm)  0.320.320.250.25
Phase thickness (mum)  1.051.050.250.25
Program not specified40C(10min) => 5C/min => 200C => 20C/min => 250C(5min)40C(10min) => 5C/min => 200C => 20C/min => 250C (5min)40C => 2C/min => 60C => 4C/min => 260C60C(4min) => 1C/min => 64C => 2.5C/min => 155C => 5C/min => 250C
I 719.738.738.758.767.
ReferenceEscudero, Gogorza, et al., 2004Garcia-Estaban, Ansorena, et al., 2004Garcia-Estaban, Ansorena, et al., 2004, 2Maia, Andrade, et al., 2004Sotomayor, Martínez, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-30SE-30DB-1SPB-5HP-5
Column length (m)   30.60.30.
Carrier gas   H2  
Substrate      
Column diameter (mm)   0.250.320.25
Phase thickness (mum)   0.251.0.25
Program not specifiednot specified40C(10min) => 2C/min => 110C => 5C/min => 200C(10min)not specified40C(6min) => 2.5C/min => 150C => 90C/min => 250C
I 720.719.732.726.737.
ReferenceVinogradov, 2004Vinogradov, 2004Alves and Franco, 2003Begnaud, Pérès, et al., 2003Jordán, Margaría, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5Polydimethyl siloxaneHP-5MSMFE-73HP-5
Column length (m) 30. 30. 30.
Carrier gas   HeH2 
Substrate      
Column diameter (mm) 0.25 0.25 0.25
Phase thickness (mum) 0.25 0.25 0.25
Program 40C(6min) => 2.5C/min => 150C => 90C/min => 250Cnot specified40C(5min) => 2C/min => 120C => 10C/min => 210C (30min)not specifiednot specified
I 744.719.710.719.737.
ReferenceJordán, Margaría, et al., 2003Junkes, Castanho, et al., 2003Martí, Mestres, et al., 2003Ferreira, Ortín, et al., 2002Jordán, Goodner, et al., 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5HP-5HP-5CP Sil 8 CBCP Sil 5 CB
Column length (m) 30.30.30.60.50.
Carrier gas      
Substrate      
Column diameter (mm) 0.250.250.250.250.32
Phase thickness (mum) 0.250.250.250.251.2
Program not specified40C (6min) => 2.5C/min => 150C => 90C/min => 250C40C (6min) => 2.5C/min => 150C => 90C/min => 250Cnot specified36C => 20C/min => 120C(20min) => 2C/min => 250C(30min)
I 742.737.742.772.711.
ReferenceJordán, Goodner, et al., 2002Jordán, Margaría, et al., 2002Jordán, Margaría, et al., 2002Duckham, Dodson, et al., 2001Lermusieau, Bulens, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase BPX-5Polydimethyl siloxaneMethyl SiliconeCP Sil 5 CBOV-101
Column length (m) 60.  50. 
Carrier gas He  He 
Substrate      
Column diameter (mm) 0.32  0.32 
Phase thickness (mum) 1.    
Program -30C(1min) => 100C/min => 40C(4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250Cnot specifiednot specified30C => 55C/min => 85C => 1C/min => 145C => 3C/min => 250Cnot specified
I 713.724.719.706.718.
Referencevan Ruth, Grossmann, et al., 2001Spanier, Shahidi, et al., 2001Estrada and Gutierrez, 1999Guyot, Scheirman, et al., 1999Licker, Acree, et al., 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SPB-1DB-5SE-54DB-5DB-1
Column length (m) 60.30.30.50.60.
Carrier gas He  He 
Substrate      
Column diameter (mm) 0.530.320.320.320.32
Phase thickness (mum) 5.0.250.250.250.25
Program 40C(6min) => 5C/min => 80C => 10C/min => 200C35C (1min) => 40C/min => 60C (1min) => 6C/min => 250C (10min)35C (1min) => 40C/min => 60C (1min) => 6C/min => 250C (10min)40C (10min) => 3C/min => 95C => 10C/min => 270C (10min)not specified
I 719.736.736.738.748.
ReferenceFlanagan, Streete, et al., 1997Guth, 1997Guth, 1997Mateo and Zumalacárregui, 1996Ciccioli, Cecinato, et al., 1994
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-1SPB-1SPB-1DB-1
Column length (m) 30.60.60.60.60.
Carrier gas He HeliumHelium 
Substrate      
Column diameter (mm) 0.320.320.530.530.32
Phase thickness (mum)  0.255.05.0 
Program 35C => 40C/min => 50C(2min) => 4C/min => 240C3 min at 5 C; 5 - 50 C at 3 deg/min; 50 - 220 C at 5 deg/min40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0Cnot specifiednot specified
I 730.748.719.720.714.
ReferenceSchieberle and Grosch, 1994Ciccioli, Brancaleoni, et al., 1993Strete, Ruprah, et al., 1992Strete, Ruprah, et al., 1992Binder, Flath, et al., 1989
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP Sil 8 CBDB-1DB-1DB-1DB-1
Column length (m) 40.30.30.30.30.
Carrier gas HeH2H2H2H2
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (mum) 0.250.250.250.250.25
Program 30 0C (1 min) 15 0C/min -> 45 0C 3 0C/min -> 120 0C30C (2min) => 2C/min => 150C => 4C/min => 250C30C (2min) => 2C/min => 150C => 4C/min => 250C30C (2min) => 2C/min => 150C => 4C/min => 250C30C (2min) => 2C/min => 150C => 4C/min => 250C
I 732.724.725.714.720.
ReferenceWeller and Wolf, 1989Takeoka, Flath, et al., 1988Takeoka, Flath, et al., 1988Takeoka, Flath, et al., 1988Takeoka, Flath, et al., 1988
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase OV-101SF96+IgepalOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.OV-1
Column length (m)  152.50.50. 
Carrier gas   HydrogenHydrogen 
Substrate      
Column diameter (mm)  0.760.320.32 
Phase thickness (mum)      
Program not specified25C(1min) => 5C/min => 50C (4min) => 1.25C/min => 180Cnot specifiednot specifiednot specified
I 719.749.716.725.719.
ReferenceShibamoto, 1987Flath, Altieri, et al., 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, 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.

Bendiabdellah, El Amine Dib, et al., 2012
Bendiabdellah, A.; El Amine Dib, M.; Djabou, N.; Allali, H.; Tabti, B.; Costa, J.; Myseli, A., Biological activities and volatile cinstituents of Daucus muricatus L. from Algeria, Chem. Centr. J., 2012, 6, 48, 1-22. [all data]

Fang, Pu, et al., 2012
Fang, S.; Pu, B.; Chen, A.; Kangzhou, Ao; Xu, D., A box-behnken design for characterizing Chineser truffles (Tuber indicum) aroma by HS-SPME-GC-MS, J. Food Res., 2012, 1, 3, 219-229, https://doi.org/10.5539/jfr.v1n3p219 . [all data]

VOC BinBase, 2012
VOC BinBase, The volatile compound BinBase (VOC BinBase), 2012, retrieved from http://fiehnlab.ucdavis.edu/projects/VocBinBase and http://binbase.sourceforge.net. [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]

Skogerson, Wohlgemuth, et al., 2011
Skogerson, K.; Wohlgemuth, G.; Fiehn, O., VocBinNase, 2011, retrieved from http://fiehnlab.ucdavis.edu/projects//VocBinBase. [all data]

Bailly and Collin, 2010
Bailly, S.; Collin, S., Fate of polyunsaturated thiols in sauternes wines through ageing in Expression of Multidisciplinary Flavour Sci., Blank, I.; Wust, M.; Yertzian, C., ed(s)., Zhaw Ed., 2010, 227-230, retrieved from https://home.zhaw.ch/tildayere/pdf/Teil58-Expression of Multidisciplinary.pdf. [all data]

Dib, Djabou, et al., 2010
Dib, M.ElA.; Djabou, N.; Desjobert, L.-M.; Allali, H.; Tabti, B.; Muselli, A.; Costa, J., Characterization of volatile compounds of Daucus crinitus Desf. headspace solid phase microextraction as alternative technique to hydrodistillation, Chem, Centr. J., 2010, 4, 16, 1-15. [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]

Bailly, Jerkovic, et al., 2009
Bailly, S.; Jerkovic, V.; Meuree, A.; Timmermans, A.; Collin, S., Fate of key odorants in Sauternes wines through aging, J. Agric. Food Chem., 2009, 57, 18, 8557-8563, https://doi.org/10.1021/jf901429d . [all data]

Courtois, Paine, et al., 2009
Courtois, E.A.; Paine, C.E.; Blandinieres, P.-A.; Stien, D.; Bessiere, J.-M.; Houel, E.; Baraloto, C.; Chave, J., Diversity of the volatile organic compounds emitted by 55 species of tropical trees: a survey in French Guiana, J. Chem. Ecol., 2009, 35, 11, 1349-1362, https://doi.org/10.1007/s10886-009-9718-1 . [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]

Collin, Nizet, et al., 2008
Collin, S.; Nizet, S.; Muls, S.; Iraqi, R.; Bouseta, A., Characterization of odor-active compounds in extracts obtained by simultaneous extraction/distillation from Moroccan black olives, J. Agric. Food Chem., 2008, 56, 9, 3273-3278, https://doi.org/10.1021/jf073488x . [all data]

Frauendorfer and Schieberle, 2008
Frauendorfer, F.; Schieberle, P., Changes in key aroma compounds of criollo cocoa beans during roasting, J. Agric. Food Chem., 2008, 56, 21, 10244-10251, https://doi.org/10.1021/jf802098f . [all data]

Ventanas, Estevez, et al., 2008
Ventanas, S.; Estevez, M.; Andres, A.I.; Ruiz, J., Analysis of volatile compounds of Iberian dry-cured loins with different intramuscular fat contents using SPME-DED, Meat Sci., 2008, 79, 1, 172-180, https://doi.org/10.1016/j.meatsci.2007.08.011 . [all data]

Xie, Sun, et al., 2008
Xie, J.; Sun, B.; Zheng, F.; Wang, S., Volatile flavor constituents in roasted pork of mini-pig, Food Chem., 2008, 109, 3, 506-514, https://doi.org/10.1016/j.foodchem.2007.12.074 . [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]

Barra, Baldovini, et al., 2007
Barra, A.; Baldovini, N.; Loiseau, A.-M.; Albino, L.; Lesecq, C.; Cuvelier, L.L., Chemical analysis of French beans (Phaseolus vulgaris L.) by headspace solid phase microextraction (HS-SPME) and simultaneous distillation/extraction (SDE), Food Chem., 2007, 101, 3, 1279-1284, https://doi.org/10.1016/j.foodchem.2005.12.027 . [all data]

Chen and Feng, 2007
Chen, Y.; Feng, C., QSPR study on gas chromatography retention index of some organic pollutants, Comput. Appl. Chem. (China), 2007, 24, 10, 1404-1408. [all data]

Karlshøj, Nielsen, et al., 2007
Karlshøj, K.; Nielsen, P.V.; Larsen, T.O., Prediction of Penicillium expansum Spoilage and Patulin Concentration in Apples Used for Apple Juice Production by Electronic Nose Analysis, J. Agric. Food Chem., 2007, 55, 11, 4289-4298, https://doi.org/10.1021/jf070134x . [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]

Splivallo, Bossi, et al., 2007
Splivallo, R.; Bossi, S.; Maffei, M.; Bonfante, P., Discrimination of truffle fruiting body versus mycelial aromas by stir bar sorptive extraction, Phytochemistry, 2007, 68, 20, 2584-2598, https://doi.org/10.1016/j.phytochem.2007.03.030 . [all data]

Bailly, Jerkovic, et al., 2006
Bailly, S.; Jerkovic, V.; Collin, S., Identification of key-odorants in Sauternes wines, Identification of key-odorants in Sauternes wines, 5th International Terroir Congress, 2006, 4. [all data]

Bailly, Jerkovic, et al., 2006, 2
Bailly, S.; Jerkovic, V.; Marchand-Brynaert, J.; Collin, S., Aroma Extraction Dilution Analysis of Sauternes Wines. Key Role of Polyfunctional Thiols, J. Agric. Food Chem., 2006, 54, 19, 7227-7234, https://doi.org/10.1021/jf060814k . [all data]

Kou, Zhang, et al., 2006
Kou, J.; Zhang, S.; Hu, Y.; Qiao, H.; Li, J., Stidy on the relationships between structures and gas chromatographic retention indices of alcohols, Comput. Appl. Chem. (Chinese), 2006, 23, 7, 651-654. [all data]

Riu-Aumatell, Bosch-Fuste´, et al., 2006
Riu-Aumatell, M.; Bosch-Fuste´, J.; Lopez-Tamames, E.; Buxaderas, S., Development of volatile compounds of cava (Spanish sparkling wine) during long ageing time in contact with lees, Food Chem., 2006, 95, 2, 237-242, https://doi.org/10.1016/j.foodchem.2005.01.029 . [all data]

van Ruth, Floris, et al., 2006
van Ruth, S.M.; Floris, V.; Fayoux, S., Characterisation of the volatile profiles of infant formulas by proton transfer reaction-mass spectrometry and gas chromatography-mass spectrometry, Food Chem., 2006, 98, 2, 343-350, https://doi.org/10.1016/j.foodchem.2005.06.012 . [all data]

Ádámová, Orinák, et al., 2005
Ádámová, M.; Orinák, A.; Halás, L., Retention indices as identification tool in pyrolysis-capillary gas chromatography, J. Chromatogr. A, 2005, 1087, 1-2, 131-141, https://doi.org/10.1016/j.chroma.2005.01.003 . [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]

Iraqi, Vermeulen, et al., 2005
Iraqi, R.; Vermeulen, C.; Benzekri, A.; Bouseta, A.; Collin, S., Screening for key odorants in Moroccan green olives by gas chromatography-olfactometry/aroma extract dilution analysis, J. Agric. Food Chem., 2005, 53, 4, 1179-1184, https://doi.org/10.1021/jf040349w . [all data]

Jelen and Grabarkiewicz-Szczesna, 2005
Jelen, H.H.; Grabarkiewicz-Szczesna, J., Volatile compounds of Aspergillus strains with different abilities to produce ochratoxin A, J. Agric. Food Chem., 2005, 53, 5, 1678-1683, https://doi.org/10.1021/jf0487396 . [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]

Thierry, Maillard, et al., 2005
Thierry, A.; Maillard, M.-B.; Bonnarme, P.; Roussel, E., The addition of Propionibacterium freudenreichii to raclette cheese induces biochemical changes and enhances flavor development, J. Agric. Food Chem., 2005, 53, 10, 4157-4165, https://doi.org/10.1021/jf0481195 . [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]

Escudero, Gogorza, et al., 2004
Escudero, A.; Gogorza, B.; Melús, M.A.; Ortín, N.; Cacho, J.; Ferreira, V., Characterization of the aroma of a wine from Maccabeo. Key role played by compounds with low odor activity values, J. Agric. Food Chem., 2004, 52, 11, 3516-3524, https://doi.org/10.1021/jf035341l . [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]

Maia, Andrade, et al., 2004
Maia, J.G.S.; Andrade, E.H.A.; Zoghbi, M.G.B., Aroma volatiles from two fruit varieties of jackfruit (Artocarpus heterophyllus Lam.), Food Chem., 2004, 85, 2, 195-197, https://doi.org/10.1016/S0308-8146(03)00292-9 . [all data]

Sotomayor, Martínez, et al., 2004
Sotomayor, J.A.; Martínez, R.M.; García, A.J.; Jordán, M.J., Thymus zygis Subsp. Gracilis: watering level effect on phytomass production and essential oil quality, J. Agric. Food Chem., 2004, 52, 17, 5418-5424, https://doi.org/10.1021/jf0496245 . [all data]

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

Alves and Franco, 2003
Alves, G.L.; Franco, M.R.B., Headspace gas chromatography-mass spectrometry of volatile compounds in murici (Byrsonima crassifolia L. Rich), J. Chromatogr. A, 2003, 985, 1-2, 297-301, https://doi.org/10.1016/S0021-9673(02)01398-5 . [all data]

Begnaud, Pérès, et al., 2003
Begnaud, F.; Pérès, C.; Berdagué, J.-L., Characterization of volatile effluents of livestock buildings by solid-phase microextraction, Int. J. Environ. Anal. Chem., 2003, 83, 10, 837-849, https://doi.org/10.1080/03067310310001603349 . [all data]

Jordán, Margaría, et al., 2003
Jordán, M.J.; Margaría, C.A.; Shaw, P.E.; Goodner, K.L., Volatile components and aroma active compounds in aqueous essence and fresh pink guava fruid puree (Psidium guajava L.) by GC-MS and multidimensional GC/GC-O, J. Agric. Food Chem., 2003, 51, 5, 1421-1426, https://doi.org/10.1021/jf020765l . [all data]

Junkes, Castanho, et al., 2003
Junkes, B.S.; Castanho, R.D.M.; Amboni, C.; Yunes, R.A.; Heinzen, V.E.F., Semiempirical Topological Index: A Novel Molecular Descriptor for Quantitative Structure-Retention Relationship Studies, Internet Electronic Journal of Molecular Design, 2003, 2, 1, 33-49. [all data]

Martí, Mestres, et al., 2003
Martí, M.P.; Mestres, M.; Sala, C.; Busto, O.; Guasch, J., Solid-phase microextraction and gas chromatography olfactometry analysis of successively diluted samples. A new approach of the aroma extract dilution analysis applied to the characterization of wine aroma, J. Agric. Food Chem., 2003, 51, 27, 7861-7865, https://doi.org/10.1021/jf0345604 . [all data]

Ferreira, Ortín, et al., 2002
Ferreira, V.; Ortín, N.; Escudero, A.; López, R.; Cacho, J., Chemical characterization of the aroma of grenache Rosé wines: aroma extract dilution analysis, quantitative determination, and sensory reconstitution studies, J. Agric. Food Chem., 2002, 50, 14, 4048-4054, https://doi.org/10.1021/jf0115645 . [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]

Duckham, Dodson, et al., 2001
Duckham, S.C.; Dodson, A.T.; Bakker, J.; Ames, J.M., Volatile flavour components of baked potato flesh. A comparison of eleven potato cultivars, Nahrung/Food, 2001, 45, 5, 317-323, https://doi.org/10.1002/1521-3803(20011001)45:5<317::AID-FOOD317>3.0.CO;2-4 . [all data]

Lermusieau, Bulens, et al., 2001
Lermusieau, G.; Bulens, M.; Collin, S., Use of GC-olfactometry to identify the hop aromatic compounds in beer, J. Agric. Food Chem., 2001, 49, 8, 3867-3874, https://doi.org/10.1021/jf0101509 . [all data]

van Ruth, Grossmann, et al., 2001
van Ruth, S.M.; Grossmann, I.; Geary, M.; Delahunty, C.M., Interactions between artificial saliva and 20 aroma compounds in water and oil model systems, J. Agric. Food Chem., 2001, 49, 5, 2409-2413, https://doi.org/10.1021/jf001510f . [all data]

Spanier, Shahidi, et al., 2001
Spanier, A.M.; Shahidi, F.; Par; iment, T.H.; Mussinan, C., Food Flavors and Chemistry. Advances of the New Millenium, Royal Soc. Chem., 2001, 666. [all data]

Estrada and Gutierrez, 1999
Estrada, E.; Gutierrez, Y., Modeling chromatographic parameters by a novel graph theoretical sub-structural approach, J. Chromatogr. A, 1999, 858, 2, 187-199, https://doi.org/10.1016/S0021-9673(99)00808-0 . [all data]

Guyot, Scheirman, et al., 1999
Guyot, C.; Scheirman, V.; Collin, S., Floral origin markers of heather honeys: Calluna vulgaris and Erica arborea, Food Chem., 1999, 64, 1, 3-11, https://doi.org/10.1016/S0308-8146(98)00122-8 . [all data]

Licker, Acree, et al., 1998
Licker, J.L.; Acree, T.E.; Henick-Kling, T., What is Brett (Brettanomyces) flavor?, Am. Chem. Soc. Symp. Ser., 1998, 714, 96-115. [all data]

Flanagan, Streete, et al., 1997
Flanagan, R.J.; Streete, P.J.; Ramsey, J.D., Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56, retrieved from http://www.odccp.org/pdf/technicalseries1997-01-011.pdf. [all data]

Guth, 1997
Guth, H., Identification of character impact odorants of different white wine varieties, J. Agric. Food Chem., 1997, 45, 8, 3022-3026, https://doi.org/10.1021/jf9608433 . [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
Schieberle, P.; Grosch, W., Potent odorants of rye bread crust - differences from the crumb and from wheat bread crust, Z. Lebensm. Unters. Forsch., 1994, 198, 4, 292-296, https://doi.org/10.1007/BF01193177 . [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]

Strete, Ruprah, et al., 1992
Strete, P.J.; Ruprah, M.; Ramsey, J.D.; Flanagan, R.J., Detection and identification of volatile substances by headspace capillary gas chromatography to aid the diagnosis of acute poisoning, Analyst, 1992, 117, 7, 1111-1127, https://doi.org/10.1039/an9921701111 . [all data]

Binder, Flath, et al., 1989
Binder, R.G.; Flath, R.A.; Mon, T.R., Volatile components of bittermelon, J. Agric. Food Chem., 1989, 37, 2, 418-420, https://doi.org/10.1021/jf00086a032 . [all data]

Weller and Wolf, 1989
Weller, J.-P.; Wolf, M., Massenspektroskopie und Headspace-GC, Beitr. Gerichtl. Med., 1989, 47, 525-532. [all data]

Takeoka, Flath, et al., 1988
Takeoka, G.R.; Flath, R.A.; Güntert, M.; Jennings, W., Nectarine volatiles: vacuum steam distillation versus headspace sampling, J. Agric. Food Chem., 1988, 36, 3, 553-560, https://doi.org/10.1021/jf00081a037 . [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]

Flath, Altieri, et al., 1984
Flath, R.A.; Altieri, M.A.; Mon, T.R., Volatile constituents of Amaranthus retroflexus L., J. Agric. Food Chem., 1984, 32, 1, 92-94, https://doi.org/10.1021/jf00121a024 . [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

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