Hexanoic acid, ethyl ester

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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 CP-Sil 5 CBSiloxane, 5 % PhCP-Sil 8 CBDB-5Polydimethyl siloxane, 5 % phenyl
Column length (m) 50. 30.60. 
Carrier gas Nitrogen HydrogenHelium 
Substrate      
Column diameter (mm) 0.32 0.250.25 
Phase thickness (μm) 1.20 0.251.00 
Program 36 0C 20 0C/min -> 85 0C 1 0C/min -> 145 0C 3 0C/min -> 250 0Cnot specified30 0C 3 0C/min -> 150 0C 20 0C/min -> 220 0C40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min)not specified
I 975.985.1000.1001.985.
ReferenceCollin, Nizet, et al., 2012VOC BinBase, 2012de Freitas, Garruti, et al., 2011Miyazaki, 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 CBHP-5 MSDB-5CP-Sil 5 CBHP-5 MS
Column length (m) 50.30.30.50.30.
Carrier gas NitrogenHeliumHydrogenNitrogenHelium
Substrate      
Column diameter (mm) 0.320.320.320.320.25
Phase thickness (μm) 1.200.250.501.200.25
Program 36 0C 20 0C/min -> 85 0C 1 0C/min -> 145 0C 3 0C/min -> 250 0Cnot specified40 0C (5 min) 4 0C/min -> 100 0C 6 0C/min -> 220 0C (20 min)36 0C 20 0C/min -> 85 0C 1 0C -> 145 0C 3 0C/min -> 250 0C40 0C (3 min) 3 0C/min -> 160 0C (2 min) 8 0C/min -> 220 0C (3 min)
I 975.998.999.975.1007.
ReferenceBailly and Collin, 2010Pino, Marquez, et al., 2010San-Juan, Petka, et al., 2010Bailly, Jerkovic, et al., 2009Fan, Lu, et al., 2009
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5HP-5BPX-5BPX-5HP-5
Column length (m) 50.60.30.30.30.
Carrier gas HeliumHeliumHeliumHelium 
Substrate      
Column diameter (mm) 0.320.250.250.250.25
Phase thickness (μm) 1.050.250.250.250.25
Program not 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)35 0C (5 min) 3 0C/min -> 210 0C 40 0C/min -> 240 0C (10 min)not specified40 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 995.999.1007.999.998.
ReferencePugliese, Sirtori, et al., 2009Rotsatschakul, Visesanguan, et al., 2009se Souza, Cardeal, et al., 2009se Souza, Cardeal, et al., 2009Zhao, Li, et al., 2008
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5DB-5SPB-1DB-5 MSMethyl Silicone
Column length (m) 30.30.30.30. 
Carrier gas   HeHelium 
Substrate      
Column diameter (mm) 0.250.250.250.25 
Phase thickness (μm) 0.250.250.250.25 
Program not specified50C(1min) => 5C/min => 100C => 10C/min => 250C (9min)40C(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)not specified
I 1010.999.977.959.976.
ReferenceZhao, Li, et al., 2008Beaulieu and Lancaster, 2007Bosch-Fuste, Riu-Aumatell, et al., 2007Cajka, Hajslova, et al., 2007Chen and Feng, 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase LM-5LM-5LM-5VB-5SE-30
Column length (m) 30.30.30.60. 
Carrier gas HeliumHeliumHeliumHe 
Substrate      
Column diameter (mm) 0.250.250.250.25 
Phase thickness (μm)    1. 
Program 50 0C (10 min) 2 oC/min -> 75 0C 3 0C/min -> 150 0C 5 0C/min -> 200 0Cnot specifiednot specified35C(1min) => 4C/min => 175C => 10C/min => 260Cnot specified
I 1000.1000.983.984.976.
ReferenceJanzanntti, Franco, et al., 2007Janzanntti, Franco, et al., 2007Janzanntti, Franco, et al., 2007Karlshøj, Nielsen, et al., 2007Liu, Liang, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP-SilDB-5HP-5CP-Sil 5 CBCP Sil 5 CB
Column length (m) 30.30. 50.50.
Carrier gas HeliumHeliumHeHeliumHe
Substrate      
Column diameter (mm) 0.250.25 0.320.32
Phase thickness (μm) 0.250.50 1.201.2
Program 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 0C35 0C (6 min) 5 0C/min -> 50 0C 2 0C/min -> 70 0C 3 0C/min -> 150 0C 5 0C/min -> 200 0C50C => 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 999.996.994.975.975.
ReferenceProffit, 2007Soares, Pereira, 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 Ultra-2SPB-1DB-5HP-5DB-5
Column length (m) 25.30.60. 30.
Carrier gas H2   Helium
Substrate      
Column diameter (mm) 0.250.250.25 0.32
Phase thickness (μm) 0.330.250.25 0.25
Program not specifiednot specified50C => 5C/min => 100C => 15C/min => 250C (19C)not specified40 0C (2 min) 40 0C/min -> 60 0C (2 min) 6 0C/min -> 180 0C 10 0C/min -> 240 0C (5 min)
I 996.984.999.994.1002.
ReferenceCeva-Antunes, Bizzo, et al., 2006Riu-Aumatell, Bosch-Fuste´, et al., 2006Beaulieu, 2005Riu-Aumatell, Lopez-Tamames, et al., 2005Tokitomo, Steihaus, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-54HP-1HP-1SPB-5MFE-73
Column length (m) 30.12.25.30. 
Carrier gas He  He 
Substrate      
Column diameter (mm) 0.320.320.20.25 
Phase thickness (μm) 0.250.520.110.25 
Program 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 => 200Cnot specified
I 1002.981.981.996.999.
ReferenceBuettner, 2004Carpino, Mallia, et al., 2004Carpino, Mallia, et al., 2004, 2Crook, Boylston, et al., 2004Escudero, Gogorza, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-30DB-1HP-5HP-5HP-5
Column length (m)  30.30.30.30.
Carrier gas  H2HeHe 
Substrate      
Column diameter (mm)  0.250.250.250.25
Phase thickness (μm)  0.250.250.250.25
Program not specified40C(10min) => 2C/min => 110C => 5C/min => 200C(10min)40C(1min) => 5C/min => 180C => 10C/min => 220C(2min)35C => 5C/min => 220C => 10C/min => 240C(5min)40C(6min) => 2.5C/min => 150C => 90C/min => 250C
I 983.1000.1001.1001.997.
ReferenceVinogradov, 2004Alves and Franco, 2003Demyttenaere, Dagher, et al., 2003Demyttenaere, Sánchez Martínez, et al., 2003Jordán, Margaría, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5OV-101HP-5MSDB-5HP-5MS
Column length (m) 30. 30.30.30.
Carrier gas   He He
Substrate      
Column diameter (mm) 0.25 0.250.320.25
Phase thickness (μm) 0.25 0.251.0.25
Program 40C(6min) => 2.5C/min => 150C => 90C/min => 250Cnot specified40C(5min) => 2C/min => 120C => 10C/min => 210C (30min)35C(4min) => 2C/min => 130C => 4C/min => 250C40C(1min) => 5C/min => 220C => 10C/min => 240C(2min)
I 997.983.1001.997.1001.
ReferenceJordán, Margaría, et al., 2003Krings, Banavara, et al., 2003Martí, Mestres, et al., 2003Qian and Reineccius, 2003Demyttenaere, Dagher, et al., 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5MSMFE-73HP-5HP-5HP-5
Column length (m) 30. 30.30.30.
Carrier gas HeH2   
Substrate      
Column diameter (mm) 0.25 0.250.250.25
Phase thickness (μm) 0.25 0.250.250.25
Program 35C => 5C/min => 160C => 10C/min => 220C (10min)not specifiednot specifiednot specified40C (6min) => 2.5C/min => 150C => 90C/min => 250C
I 1001.999.997.995.997.
ReferenceDemyttenaere, Sánchez Martínez, et al., 2002Ferreira, Ortín, et al., 2002Jordán, Goodner, et al., 2002Jordán, Goodner, et al., 2002Jordán, Margaría, et al., 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5MSMFE-73MFE-73CP Sil 5 CBHP-1
Column length (m) 30.30.30.50.50.
Carrier gas HeH2H2 N2
Substrate      
Column diameter (mm) 0.250.320.320.320.32
Phase thickness (μm) 0.250.10.11.20.52
Program 40C (10min) => 3C/min => 120C => 10C/min => 250C (5min)40C(5min) => 2C/min => 120C => 10C/min => 210C(30min)40 C (5min) => 2C/min => 120C => 10 C/min => 210 C (30min)36C => 20C/min => 120C(20min) => 2C/min => 250C(30min)40C => 2C/min => 130C => 4C/min => 250C
I 1003.999.999.974.980.
ReferenceAnsorena, Gimeno, et al., 2001Aznar, López, et al., 2001Ferreira, Aznar, et al., 2001Lermusieau, Bulens, et al., 2001Teai, Claude-Lafontaine, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5Methyl SiliconeMethyl SiliconeHP-1DB-5
Column length (m) 30.  25.30.
Carrier gas He    
Substrate      
Column diameter (mm) 0.25  0.320.32
Phase thickness (μm) 0.25   0.25
Program 40C (10min) => 3C/min => 120C => 10C/min => 250C (5min)not specifiednot specifiednot specified35C (1min) => 40C/min => 60C (1min) => 6C/min => 250C (10min)
I 1003.983.980.984.1000.
ReferenceAnsorena, Astiasarán, et al., 2000Estrada and Gutierrez, 1999Zenkevich, 1999Ong, Acree, et al., 1998Guth, 1997
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-54DB-5DB-5Methyl SiliconeDB-1
Column length (m) 30.50.50. 30.
Carrier gas  HeHe H2
Substrate      
Column diameter (mm) 0.320.320.32 0.25
Phase thickness (μm) 0.250.250.25 0.25
Program 35C (1min) => 40C/min => 60C (1min) => 6C/min => 250C (10min)40C (10min) => 3C/min => 95C => 10C/min => 270C (10min)40C (10min) => 3C/min => 95C => 10C/min => 270C (10min)not specified30C (2min) => 2C/min => 150C => 4C/min => 250C
I 1000.1002.1000.980.981.
ReferenceGuth, 1997Mateo and Zumalacárregui, 1996Mateo and Zumalacárregui, 1996Grundschober, 1991Takeoka, Flath, et al., 1988
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillary
Active phase DB-1OV-101OV-101OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.
Column length (m) 30.25.50.50.
Carrier gas H2He Hydrogen
Substrate     
Column diameter (mm) 0.250.310.250.32
Phase thickness (μm) 0.25   
Program 30C (2min) => 2C/min => 150C => 4C/min => 250Cnot specifiednot specifiednot specified
I 981.983.983.981.
ReferenceTakeoka, Flath, et al., 1988Morales and Duque, 1987Shibamoto, 1987Waggott and Davies, 1984
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.

Collin, Nizet, et al., 2012
Collin, S.; Nizet, S.; Bouuaert, T.C.; Despartures, P.-M., MAin odorants in Jura Flor-Sherry wines. Relative contributions of sotolon, abhexon, and theaspirane-derived compounds, J. Agr. Food Chem., 2012, 60, 1, 380-381, https://doi.org/10.1021/jf203832c . [all data]

VOC BinBase, 2012
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de Freitas, Garruti, et al., 2011
de Freitas, V.M.; Garruti, D. dosS.; Souza Neto, M.A.; Facundo, H.V. daV.; Correia, J.M., Stability of volatile profile and sensory properties of passion fruit during storage in glass bottles, Ciencia e Tecnologia de Alimentos, Campinas, 2011, 31, 2, 349-354, https://doi.org/10.1590/S0101-20612011000200011 . [all data]

Miyazaki, Plotto, et al., 2011
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Skogerson, Wohlgemuth, et al., 2011
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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]

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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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]

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]

Fan, Lu, et al., 2009
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]

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]

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Beaulieu and Lancaster, 2007
Beaulieu, J.C.; Lancaster, V.A., Correlating Volatile Compounds, Sensory Attributes, and Quality Parameters in Stored Fresh-Cut Cantaloupe, J. Agric. Food Chem., 2007, 55, 23, 9503-9513, https://doi.org/10.1021/jf070282n . [all data]

Bosch-Fuste, Riu-Aumatell, et al., 2007
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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]

Liu, Liang, et al., 2007
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Proffit, M., Mediation chimique et structuration des communautes d'hymenopteres parasites du mutualisme figuier / pollinisateur (These pour obtenir le grade de Docteur de l'Universite Montpellier II) (Dissertation), 2007. [all data]

Soares, Pereira, et al., 2007
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Bailly, Jerkovic, et al., 2006
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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]

Ceva-Antunes, Bizzo, et al., 2006
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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]

Beaulieu, 2005
Beaulieu, J.C., Within-Season Volatile and Quality Differences in Stored Fresh-Cut Cantaloupe Cultivars, J. Agric. Food Chem., 2005, 53, 22, 8679-8687, https://doi.org/10.1021/jf050241w . [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]

Tokitomo, Steihaus, et al., 2005
Tokitomo, Y.; Steihaus, M.; Buttner, A.; Schieberle, P., Odor-Active Constituents in Fresh Pineapple (ananas comosus [L.] Merr.) by Quamtitative and Sensory Evaluations, Biosci. Biotechnol, Biochem,, 2005, 69, 7, 1323-1330, https://doi.org/10.1271/bbb.69.1323 . [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]

Carpino, Mallia, et al., 2004
Carpino, S.; Mallia, S.; Licitra, G.; van Soest, P.J.; Acree, T.E., Aroma compounds of some Hyblean pasture species, Flavour Fragr. J., 2004, 19, 4, 293-297, https://doi.org/10.1002/ffj.1346 . [all data]

Carpino, Mallia, et al., 2004, 2
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Notes

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