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Butanoic acid, 2-methyl-, ethyl ester

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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 Polydimethyl siloxane with 5 % Ph groupsPolydimethyl siloxane with 5 % Ph groups DB-5CP-Sil 8 CB
Column length (m)    60.30.
Carrier gas    HeliumHelium
Substrate      
Column diameter (mm)    0.250.25
Phase thickness (mum)    1.000.25
Program not specifiednot specifiednot specified40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min)Multi-rise program
I 848.851.859.856.860.
ReferenceRobinson, Adams, et al., 2012Robinson, Adams, et al., 2012Karimi, Farmany, et al., 2011Miyazaki, Plotto, et al., 2011Di Giusto, Bessiere, et al., 2010
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5 MSDB-5DB-1HP-5 MSBPX-5
Column length (m) 30.30.60.30.30.
Carrier gas HeliumHydrogenHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.320.320.250.250.25
Phase thickness (mum) 0.250.500.250.250.25
Program not specified40 0C (5 min) 4 0C/min -> 100 0C 6 0C/min -> 220 0C (20 min)50 0C (5 min) 3 0C/min -> 120 0C 5 0C/min -> 250 0C (3 min) 15 0C/min -> 300 0C (20 min)40 0C (3 min) 3 0C/min -> 160 0C (2 min) 8 0C/min -> 220 0C (3 min)70 0C (1 min) 3 0C/min -> 142 0C 5 0C/min -> 225 0C (10 min)
I 846.846.837.849.845.
ReferencePino, Marquez, et al., 2010San-Juan, Petka, et al., 2010Delort and Jaquier, 2009Fan, Lu, et al., 2009Ortiz, Echeverra, et al., 2009
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5DB-5 MSCP-Sil 5 CbSLB-5 MSSLB-5 MS
Column length (m) 60.30.50.30.30.
Carrier gas HeliumHeliumNitrogenHeliumHelium
Substrate      
Column diameter (mm) 0.250.250.320.250.25
Phase thickness (mum) 0.250.251.200.250.25
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)not specified40 0C 20 0C/min -> 85 0C 1 0C/min -> 145 0C 3 0C/min -> 250 0C (30 min)50 0C 3 0C/min -> 250 0C (1 min) 10 0C/min -> 300 0C (5 min)not specified
I 860.850.833.842.842.
ReferenceRotsatschakul, Visesanguan, et al., 2009Su, Wang, et al., 2009Collin, Nizet, et al., 2008Costa, De Fina, et al., 2008Costa, De Fina, et al., 2008
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-54CP-Sil 8CB-MSHP-5HP-5DB-5
Column length (m)  30.30.30.30.
Carrier gas HeliumHelium   
Substrate      
Column diameter (mm)  0.250.250.250.25
Phase thickness (mum)  0.250.250.250.25
Program not specified50 0C(3 min) 3 0C/min -> 100 0C 2.7 0C/min -> 140 0C 2.4 0C/min -> 180 0C 6 0C/min -> 260 0C40 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 specified50C(1min) => 5C/min => 100C => 10C/min => 250C (9min)
I 851.827.848.849.846.
ReferenceFrauendorfer and Schieberle, 2008Profitt, Schatz, et al., 2008Zhao, Li, et al., 2008Zhao, Li, et al., 2008Beaulieu and Lancaster, 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SPB-1HP-5LM-5LM-5VB-5
Column length (m) 30.50.30.30.60.
Carrier gas He HeliumHeliumHe
Substrate      
Column diameter (mm) 0.250.320.250.250.25
Phase thickness (mum) 0.251.05  1.
Program 40C(10min) => 2C/min => 200C(1min) => 2C/min => 250C (10min)35 0C (10 min) 10 0C/min -> 150 0C 20 0C/min -> 250 0C (10 min)50 0C (10 min) 2 oC/min -> 75 0C 3 0C/min -> 150 0C 5 0C/min -> 200 0Cnot specified35C(1min) => 4C/min => 175C => 10C/min => 260C
I 820.857.851.837.848.
ReferenceBosch-Fuste, Riu-Aumatell, et al., 2007Carrapiso and Garsia, 2007Janzanntti, Franco, et al., 2007Janzanntti, Franco, et al., 2007Karlshøj, Nielsen, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-54CP-SilHP-5DB-5HP-5
Column length (m) 30.30. 60. 
Carrier gas  HeliumHe  
Substrate      
Column diameter (mm) 0.320.25 0.25 
Phase thickness (mum) 0.250.25 0.25 
Program 35C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 10C/min => 230C(10min)50 0C (3 min) 3 0C/min -> 100 0C 2.7 0C/min -> 140 0C 2.4 0C/min -> 180 0C 6 0C/min -> 250 0C50C => 3C/min => 200C(10min) => 10C/min => 290C(10min)50C => 5C/min => 100C => 15C/min => 250C (19C)not specified
I 852.827.839.846.849.
ReferenceLasekan, Buettner, et al., 2007Proffit, 2007Splivallo, Bossi, et al., 2007Beaulieu, 2005Riu-Aumatell, Lopez-Tamames, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5SE-54HP-1HP-1SPB-5
Column length (m) 30.30.12.25.30.
Carrier gas HeliumHe  He
Substrate      
Column diameter (mm) 0.320.320.320.20.25
Phase thickness (mum) 0.250.250.520.110.25
Program 40 0C (2 min) 40 0C/min -> 60 0C (2 min) 6 0C/min -> 180 0C 10 0C/min -> 240 0C (5 min)40C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 15C/min => 230C (10min)35C(3min) => 6C/min => 190C => 30C/min => 225C35C(3min) => 4C/min => 190C => 30C/min => 225C(3min)30C(3min) => 5C/min => 80C => 4C/min => 95C => 5C/min => 115C => 10C/min => 200C
I 843.845.835.835.840.
ReferenceTokitomo, Steihaus, et al., 2005Buettner, 2004Carpino, Mallia, et al., 2004Carpino, Mallia, et al., 2004, 2Crook, Boylston, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase MFE-73DB-5MSSE-30HP-5MSHP-5
Column length (m)  30. 30.30.
Carrier gas  He HeHe
Substrate      
Column diameter (mm)  0.25 0.250.25
Phase thickness (mum)  0.25 0.250.25
Program not specified40C => 2C/min => 60C => 4C/min => 260Cnot specified40C(5min) => 2C/min => 120C => 10C/min => 210C (30min)60C(5min) => 1C/min => 140C => 10C/min => 270C(5min)
I 846.845.838.846.857.
ReferenceEscudero, Gogorza, et al., 2004Maia, Andrade, et al., 2004Vinogradov, 2004Martí, Mestres, et al., 2003Singh, Singh, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase MFE-73MFE-73HP-5SE-54HP-1
Column length (m) 30.30.30. 50.
Carrier gas H2H2  N2
Substrate      
Column diameter (mm) 0.320.320.25 0.32
Phase thickness (mum) 0.10.10.25 0.52
Program 40C(5min) => 2C/min => 120C => 10C/min => 210C(30min)40 C (5min) => 2C/min => 120C => 10 C/min => 210 C (30min)40C (6min) => 2.5C/min => 150C => 90C/min => 250C35C (2min) => 40C/min => 50C (2min) => 6C/min => 180C => 10C/min => 240C40C => 2C/min => 130C => 4C/min => 250C
I 853.853.860.848.842.
ReferenceAznar, López, et al., 2001Ferreira, Aznar, et al., 2001Jordán, Shaw, et al., 2001Schieberle and Steinhaus, 2001Teai, Claude-Lafontaine, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5OV-101DB-5SE-54DB-5
Column length (m) 30. 30.30.30.
Carrier gas He He  
Substrate      
Column diameter (mm) 0.25 0.320.320.32
Phase thickness (mum) 0.25 0.250.250.25
Program 40C => 2C/min => 60C => 4C/min => 260Cnot specified35C(1min) => 40C/min => 60C (1min) => 6C/min => 230C35 0C (2 min) 40 0C/min -> 50 0C (1 min) 6 0C/min -> 230 0C35C (1min) => 40C/min => 60C (1min) => 6C/min => 250C (10min)
I 835.836.845.851.849.
ReferenceAndrade, Maia, et al., 2000Licker, Acree, et al., 1998Matsui, Guth, et al., 1998Reiners and Grosch, 1998Guth, 1997
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-54SE-54SE-54DB-5DB-5
Column length (m) 30.30.30.50.50.
Carrier gas  HeHeHeHe
Substrate      
Column diameter (mm) 0.320.320.320.320.32
Phase thickness (mum) 0.25 0.250.250.25
Program 35C (1min) => 40C/min => 60C (1min) => 6C/min => 250C (10min)35C => 40C/min => 60C (1min) => 6C/min => 250C35C (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 849.852.854.856.857.
ReferenceGuth, 1997Lizárraga-Guerra, Guth, 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 Capillary
Active phase OV-101
Column length (m) 25.
Carrier gas He
Substrate  
Column diameter (mm) 0.31
Phase thickness (mum)  
Program not specified
I 837.
ReferenceMorales and Duque, 1987
Comment 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.

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]

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]

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Di Giusto, Bessiere, et al., 2010
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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]

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Delort, E.; Jaquier, A., Novel terpenyl esters from Australian finger lime (Citrus australasica) peel extract, Flav. Fragr. J., 2009, 24, 3, 123-132, https://doi.org/10.1002/ffj.1922 . [all data]

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Fan, G.; Lu, W.; Yao, X.; Zhang, Y.; Wang, K.; Pan, S., effect of fermentation on free and bound volatile compounds of orange juice, Flavour Fragr. J., 2009, 24, 5, 219-229, https://doi.org/10.1002/ffj.1931 . [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]

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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]

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Profitt, M.; Schatz, B.; Bessiere, J.-M.; Chen, C.; Soler, C.; Hossaert-McKey, M., Signalling receptivity: comparison of the emission of volatile compounds by figs of Ficus hispida before, during and after the phase of receptivity to pollinators, Symbiosis, 2008, 45, 1-10. [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]

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Carpino, Mallia, et al., 2004
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Carpino, Mallia, et al., 2004, 2
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Crook, Boylston, et al., 2004
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Escudero, Gogorza, et al., 2004
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Maia, Andrade, et al., 2004
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Martí, Mestres, et al., 2003
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Singh, Singh, et al., 2003
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Aznar, López, et al., 2001
Aznar, M.; López, R.; Cacho, J.F.; Ferreira, V., Identification and quantification of impact odorants of aged red wines from Rioja. GC-olfactometry, quantitative GC-MS, and odor evaluation of HPLC fractions, J. Agric. Food Chem., 2001, 49, 6, 2924-2929, https://doi.org/10.1021/jf001372u . [all data]

Ferreira, Aznar, et al., 2001
Ferreira, V.; Aznar, M.; López, R.; Cacho, J., Quantitative gas chromatography-olfactometry carried out at different dilutions of an extract. Differences in the odor profiles of four high-quality spanish aged red wines, J. Agric. Food Chem., 2001, 49, 10, 4818-4824, https://doi.org/10.1021/jf010283u . [all data]

Jordán, Shaw, et al., 2001
Jordán, M.J.; Shaw, P.E.; Goodner, K.L., Volatile components in aqueous essence and fresh fruit of Cucumis melo cv. Athena (muskmelon) by GC-MS and GC-O, J. Agric. Food Chem., 2001, 49, 12, 5929-5933, https://doi.org/10.1021/jf010954o . [all data]

Schieberle and Steinhaus, 2001
Schieberle, P.; Steinhaus, M., Characterization of the odor-active constituents in fresh and processed hops (variety Spalter select), Am. Chem. Soc. Symp. Ser., 2001, 782, 23-32. [all data]

Teai, Claude-Lafontaine, et al., 2001
Teai, T.; Claude-Lafontaine, A.; Schippa, C.; Cozzolino, F., Volatile compounds in fresh pulp of pineapple (Ananas comosus [L.] Merr.) from French Polynesia, J. Essent. Oil Res., 2001, 13, 5, 314-318, https://doi.org/10.1080/10412905.2001.9712222 . [all data]

Andrade, Maia, et al., 2000
Andrade, E.H.A.; Maia, J.G.S.; Zoghbi, M.G.B., Aroma volatile constituents of Brazilian varieties of mango fruit, J. Food Comp. Anal., 2000, 13, 1, 27-33, https://doi.org/10.1006/jfca.1999.0841 . [all data]

Licker, Acree, et al., 1998
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Notes

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