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Octanoic acid, methyl 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 groupsSiloxane, 5 % PhDB-5HP-5 MS
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)40 0C (10 min) 3 0C/min -> 200 0C 2 0C/min -> 220 0C
I 1126.1129.1115.1120.1127.
ReferenceRobinson, Adams, et al., 2012Robinson, Adams, et al., 2012VOC BinBase, 2012Miyazaki, Plotto, et al., 2011Nance and Setzer, 2011
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Polydimethyl siloxane, 5 % phenylHP-5 MSHP-5HP-5HP-5
Column length (m)  30.60.30.30.
Carrier gas  HeliumHelium  
Substrate      
Column diameter (mm)  0.320.250.250.25
Phase thickness (mum)  0.250.250.250.25
Program not 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)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 specified
I 1115.1120.1119.1122.1127.
ReferenceSkogerson, Wohlgemuth, et al., 2011Pino, Marquez, et al., 2010Rotsatschakul, Visesanguan, et al., 2009Zhao, Li, et al., 2008Zhao, Li, et al., 2008
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SPB-1DB-5Polydimethyl siloxane with 5 % Ph groupsSE-30DB-1
Column length (m) 30.30.  30.
Carrier gas HeHelium  H2
Substrate      
Column diameter (mm) 0.250.25  0.25
Phase thickness (mum) 0.250.50  0.25
Program 40C(10min) => 2C/min => 200C(1min) => 2C/min => 250C (10min)35 0C (6 min) 5 0C/min -> 50 0C 2 0C/min -> 70 0C 3 0C/min -> 150 0C 5 0C/min -> 200 0Cnot specifiednot specified40C(10min) => 2C/min => 110C => 5C/min => 200C(10min)
I 1103.1123.1126.1107.1106.
ReferenceBosch-Fuste, Riu-Aumatell, et al., 2007Soares, Pereira, et al., 2007Pino, Marbot, et al., 2005Vinogradov, 2004Alves and Franco, 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5HP-5MSHP-1HP-5MSCP Sil 5 CB
Column length (m) 30.30.25.30.50.
Carrier gas HeHe He 
Substrate      
Column diameter (mm) 0.250.250.20.250.32
Phase thickness (mum) 0.250.250.110.251.2
Program 40C(1min) => 5C/min => 180C => 10C/min => 220C(2min)40C(1min) => 5C/min => 220C => 10C/min => 240C(2min)60C (3min) => 2.5C/min => 190C (1min) => 70C/min => 240V (11min)40C (10min) => 3C/min => 120C => 10C/min => 250C (5min)36C => 20C/min => 120C(20min) => 2C/min => 250C(30min)
I 1126.1126.1109.1127.1107.
ReferenceDemyttenaere, Dagher, et al., 2003Demyttenaere, Dagher, et al., 2002Kovacevic and Kac, 2002Ansorena, Gimeno, et al., 2001Lermusieau, Bulens, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-1HP-5CP Sil 5 CBDB-1DB-1
Column length (m) 50.30.25.30.30.
Carrier gas N2HeHeH2H2
Substrate      
Column diameter (mm) 0.320.25 0.250.25
Phase thickness (mum) 0.520.25 0.250.25
Program 40C => 2C/min => 130C => 4C/min => 250C40C (10min) => 3C/min => 120C => 10C/min => 250C (5min)not specified30C (2min) => 2C/min => 150C => 4C/min => 250C30C (2min) => 2C/min => 150C => 4C/min => 250C
I 1107.1128.1114.1106.1106.
ReferenceTeai, Claude-Lafontaine, et al., 2001Ansorena, Astiasarán, et al., 2000Weyerstahl, Marschall, et al., 1998Takeoka, Flath, et al., 1988Takeoka, Flath, et al., 1988
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryOther
Active phase OV-101Methyl Silicone
Column length (m) 25. 
Carrier gas He 
Substrate   
Column diameter (mm) 0.31 
Phase thickness (mum)   
Program not specifiednot specified
I 1107.1130.
ReferenceMorales and Duque, 1987Ardrey and Moffat, 1981
Comment 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.

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]

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]

Nance and Setzer, 2011
Nance, M.R.; Setzer, W.N., Volatile components of aroma hops (Humulus lupulus L.) commonly used in beer brewing, J. of Brewing and Distilling, 2011, 2, 2, 16-22. [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]

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]

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]

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]

Soares, Pereira, et al., 2007
Soares, F.D.; Pereira, T.; Marques, M.O.M.; Monteiro, A.R., Volatile and Non-volatile Chemical Composition of the White Guava fruit (Psidium guaiava) at different Stages of Maturity, Food Chem., 2007, 100, 1, 15-21, retrieved from http://www.aseanfood.info/Articles/11016448.pdf, https://doi.org/10.1016/j.foodchem.2005.07.061 . [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]

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]

Demyttenaere, Dagher, et al., 2003
Demyttenaere, J.C.R.; Dagher, C.; Sandra, P.; Kallithraka, S.; Verhé, R.; de Kimpe, N., Flavour analysis of Greek white wine by solid-phase microextraction-capillary gas chromatography-mass spectrometry, J. Chromatogr. A, 2003, 985, 1-2, 233-246, https://doi.org/10.1016/S0021-9673(02)01467-X . [all data]

Demyttenaere, Dagher, et al., 2002
Demyttenaere, J.C.R.; Dagher, C.; Verhé, R.; Sandra, P., Flavour analysis of Greek white wine using solid phase microextraction - capillary GC/MS in 25th International Symposium on Capillary Chromatography, 2002, 1-16. [all data]

Kovacevic and Kac, 2002
Kovacevic, N.; Kac, M., Analytical, nutritional, and clinical methods section. Determination and verification of hop varieties by analysis of essential oils, Food Chem., 2002, 77, 4, 489-494, https://doi.org/10.1016/S0308-8146(02)00114-0 . [all data]

Ansorena, Gimeno, et al., 2001
Ansorena, D.; Gimeno, O.; Astiasarán, I.; Bello, J., Analysis of volatile compounds by GC-MS of a dry fermented sausage: chorizo de Pamplona, Food Res. Int., 2001, 34, 1, 67-75, https://doi.org/10.1016/S0963-9969(00)00133-2 . [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]

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]

Ansorena, Astiasarán, et al., 2000
Ansorena, D.; Astiasarán, I.; Bello, J., Influence of the simultaneous addition of the protease flavourzyme and the lipase novozyme 677BG on dry fermented sausage compounds extracted by SDE and analyzed by GC-MS, J. Agric. Food Chem., 2000, 48, 6, 2395-2400, https://doi.org/10.1021/jf990931y . [all data]

Weyerstahl, Marschall, et al., 1998
Weyerstahl, P.; Marschall, H.; Weirauch, M.; Thefeld, K.; Surburg, H., Constituents of commercial Labdanum oil, Flavour Fragr. J., 1998, 13, 5, 295-318, https://doi.org/10.1002/(SICI)1099-1026(1998090)13:5<295::AID-FFJ751>3.0.CO;2-I . [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]

Morales and Duque, 1987
Morales, A.L.; Duque, C., Aroma constituents of the fruit of the moutain papaya (Carica pubescens) from Colombia, J. Agric. Food Chem., 1987, 35, 4, 538-540, https://doi.org/10.1021/jf00076a024 . [all data]

Ardrey and Moffat, 1981
Ardrey, R.E.; Moffat, A.C., Gas-liquid chromatographic retention indices of 1318 substances of toxicological interest on SE-30 or OV-1 stationary phase, J. Chromatogr., 1981, 220, 3, 195-252, https://doi.org/10.1016/S0021-9673(00)81925-1 . [all data]


Notes

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