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Butanoic acid, 2-methyl-, 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 HP-5DB-5 MSDB-5SPB-1HP-5
Column length (m) 60.30.30.50.30.
Carrier gas HeliumHelium   
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (mum) 0.250.250.250.250.25
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 specified50C(1min) => 5C/min => 100C => 10C/min => 250C (9min)70C(3min) => 4C/min => 120C => 8C/min => 250C(5min)>2.5C/min => 180C => 100C/min => 250C (7.3min)
I 777.770.772.754.776.
ReferenceRotsatschakul, Visesanguan, et al., 2009Su, Wang, et al., 2009Beaulieu and Lancaster, 2007Díaz-Maroto, Castillo, et al., 2007Goodner, Mahattanatawee, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5DB-5HP-5DB-5SPB-5
Column length (m) 30.60. 30.30.
Carrier gas    HeliumHe
Substrate      
Column diameter (mm) 0.250.25 0.320.25
Phase thickness (mum) 0.250.25 0.250.25
Program >2.5C/min => 180C => 100C/min => 250C (7.3min)50C => 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)30C(3min) => 5C/min => 80C => 4C/min => 95C => 5C/min => 115C => 10C/min => 200C
I 777.772.776.773.733.
ReferenceGoodner, Mahattanatawee, et al., 2006Beaulieu, 2005Riu-Aumatell, Lopez-Tamames, et al., 2005Tokitomo, Steihaus, et al., 2005Crook, Boylston, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-30CP Sil 8 CBHP-5SE-54HP-1
Column length (m)  60.30. 50.
Carrier gas     N2
Substrate      
Column diameter (mm)  0.250.25 0.32
Phase thickness (mum)  0.250.25 0.52
Program not specifiednot specified40C (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 765.776.746.772.764.
ReferenceVinogradov, 2004Duckham, Dodson, 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-5SE-54HP-1SE-54DB-1
Column length (m) 30.30.30.30.30.
Carrier gas He HeHe 
Substrate      
Column diameter (mm) 0.320.320.250.250.25
Phase thickness (mum) 0.250.250.250.250.25
Program 35C(1min) => 40C/min => 60C (1min) => 6C/min => 230C35 0C (2 min) 40 0C/min -> 50 0C (1 min) 6 0C/min -> 230 0C40C(5min) => 3C/min => 150C=20C/min => 230C40C(5min) => 3C/min => 150C=20C/min => 230Cnot specified
I 775.777.756.760.768.
ReferenceMatsui, Guth, et al., 1998Reiners and Grosch, 1998Boatright and Crum, 1997Boatright and Crum, 1997Marlatt, Ho, et al., 1992
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillary
Active phase SE-54OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.
Column length (m) 30.50.
Carrier gas  Hydrogen
Substrate   
Column diameter (mm) 0.320.32
Phase thickness (mum) 0.20 
Program 2 min at 35 0C; 35-50 0C at 40 deg/min; 5 min at 50 0C; 50 - 220 0C at 4 deg/min;not specified
I 776.758.
ReferenceSchieberle, Ofner, et al., 1990Waggott and Davies, 1984
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.

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]

Su, Wang, et al., 2009
Su, Y.; Wang, C.; Yinlong, G., Analysis of volatile compounds from Mentha hapioealyx Briq. by GC-MS based on accurate mass measurements and retention indices, Acta Chem. Sinica, 2009, 67, 6, 546-554. [all data]

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]

Díaz-Maroto, Castillo, et al., 2007
Díaz-Maroto, M.C.; Castillo, N.; Castro-Vázquez, L.; González-Viñas, M.A.; Pérez-Coello, M.S., Volatile composition and olfactory profile of pennyroyal (Mentha pulegium L.) plants, Flavour Fragr. J., 2007, 22, 2, 114-118, https://doi.org/10.1002/ffj.1766 . [all data]

Goodner, Mahattanatawee, et al., 2006
Goodner, K.L.; Mahattanatawee, K.; Plotto, A.; Sotomayor, J.A.; Jordan, M.J., Aromatic profiles of Thymus hyemalis and Spanish T. vulgaris essential oils by GC-MS/GC-O, Ind. Crops Prod., 2006, 24, 3, 264-268, https://doi.org/10.1016/j.indcrop.2006.06.006 . [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]

Crook, Boylston, et al., 2004
Crook, L.R.; Boylston, T.D.; Glatz, B.A., Effect of gas environment and sorbate addition on flavor characteristics of irradiated apple cider during storage, J. Agric. Food Chem., 2004, 52, 23, 6997-7004, https://doi.org/10.1021/jf049454w . [all data]

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

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]

Matsui, Guth, et al., 1998
Matsui, T.; Guth, H.; Grosch, W., A comparative study of potent odorants in peanut, hazelnut, and pumpkin seed oils on the basis of aroma extract dilution analysis (AEDA) and gas chromatography-olfactometry of headspace samples (GCOH), Lipid - Fett, 1998, 100, 2, 51-56, https://doi.org/10.1002/(SICI)1521-4133(199802)100:2<51::AID-LIPI51>3.0.CO;2-W . [all data]

Reiners and Grosch, 1998
Reiners, J.; Grosch, W., Odorants of virgin olive oils with different flavor profiles, J. Agric. Food Chem., 1998, 46, 7, 2754-2763, https://doi.org/10.1021/jf970940b . [all data]

Boatright and Crum, 1997
Boatright, W.L.; Crum, A.D., Odor and flavor contribution of 2-pentyl pyridine to soy protein isolates, J. Amer. Oil Chem. Soc., 1997, 74, 12, 1575-1581, https://doi.org/10.1007/s11746-997-0080-6 . [all data]

Marlatt, Ho, et al., 1992
Marlatt, C.; Ho, C.-T.; Chien, M., Studies of aroma constituents bound as glycosides in tomato, J. Agric. Food Chem., 1992, 40, 2, 249-252, https://doi.org/10.1021/jf00014a016 . [all data]

Schieberle, Ofner, et al., 1990
Schieberle, P.; Ofner, S.; Grosch, W., Evaluation of Potent Odorants in Cucumbers (Cucumis sativus) and Muskmelons (Cucumis melo) by Aroma Extract Dilution Analysis, J. Food Sci., 1990, 55, 1, 193-195, https://doi.org/10.1111/j.1365-2621.1990.tb06050.x . [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]


Notes

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