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Butanoic acid, 2-methyl-, methyl ester

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Normal alkane RI, non-polar column, temperature ramp

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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 DB-5DB-5 MSDB-5HP-5HP-5
Column length (m) 60.30.30.30.60.
Carrier gas HeliumHeliumHeHeHe
Substrate      
Column diameter (mm) 0.320.250.320.250.32
Phase thickness (mum) 0.250.250.250.250.25
Tstart (C)  40.40.50.30.
Tend (C) 240.250.250.300.260.
Heat rate (K/min) 6.4.4.5.2.
Initial hold (min)  2.2.5.2.
Final hold (min) 5.2.5.5.28.
I 776.764.777.772.781.7
ReferenceMallia, Escher, et al., 2009Su, Wang, et al., 2009Xu, Fan, et al., 2007Figuérédo, Cabassu, et al., 2005Leffingwell and Alford, 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase RTX-5HP-5HP-5HP-5HP-5
Column length (m) 60.30.30.30.25.
Carrier gas HeliumHeliumHeliumHeliumHe
Substrate      
Column diameter (mm) 0.530.320.320.320.2
Phase thickness (mum) 1.50.250.250.250.33
Tstart (C) 0.40.40.40.40.
Tend (C) 240.250.250.250.190.
Heat rate (K/min) 6.5.5.5.4.
Initial hold (min)  2.2.2. 
Final hold (min)  5.5.5.5.
I 785.770.771.771.742.
ReferenceTokitomo, Steihaus, et al., 2005N/AN/AN/AAzodanlou, Darbellay, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase OV-101RSL-200SE-54DB-1DB-1
Column length (m) 10.30.50.30.30.
Carrier gas  H2HeHeHe
Substrate      
Column diameter (mm) 0.250.320.320.250.25
Phase thickness (mum)  0.251.051.01.0
Tstart (C) 35.40.40.40.40.
Tend (C) 225.280.300.250.250.
Heat rate (K/min) 6.6.2.3.3.
Initial hold (min) 5.5.   
Final hold (min)  5. 30.30.
I 772.766.771.759.765.
ReferenceBloss, Acree, et al., 2002Ngassoum, Jirovetz, et al., 2001Weenen, Koolhaas, et al., 1996Peppard, 1992Peppard, 1992
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase OV-101DB-1DB-1OV-1DB-1
Column length (m) 50.60.60. 50.
Carrier gas  HeHeHe 
Substrate      
Column diameter (mm) 0.280.320.32 0.32
Phase thickness (mum)      
Tstart (C) 80.30.30.40.0.
Tend (C) 200.210.210.220.250.
Heat rate (K/min) 2.2.2.2.3.
Initial hold (min)  4.4.  
Final hold (min)      
I 765.768.768.765.774.
ReferenceAnker, Jurs, et al., 1990Takeoka and Butter, 1989Takeoka and Butter, 1989De Pooter, De Buyck, et al., 1986Habu, Flath, et al., 1985
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type Capillary
Active phase SE-30
Column length (m) 200.
Carrier gas N2
Substrate  
Column diameter (mm) 0.6
Phase thickness (mum)  
Tstart (C) 20.
Tend (C) 220.
Heat rate (K/min) 2.
Initial hold (min)  
Final hold (min)  
I 763.
ReferenceDirinck, de Pooter, et al., 1981
Comment MSDC-RI

References

Go To: Top, Normal alkane RI, non-polar column, temperature ramp, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Mallia, Escher, et al., 2009
Mallia, S.; Escher, F.; Dubois, S.; Schieberle, P.; Schlichtherle-Cerny, H., Characterization and quantification of odor-active compounds in unsaturated fatty acid/conjugated linoleic acid (UFA/CLA)-enriched butter and in conventional butter during storage and induced oxidation, J. Agric. Food Chem., 2009, 57, 16, 7464-7472, https://doi.org/10.1021/jf9002158 . [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]

Xu, Fan, et al., 2007
Xu, Y.; Fan, W.; Qian, M.C., Characterization of Aroma Compounds in Apple Cider Using Solvent-Assisted Flavor Evaporation and Headspace Solid-Phase Microextraction, J. Agric. Food Chem., 2007, 55, 8, 3051-3057, https://doi.org/10.1021/jf0631732 . [all data]

Figuérédo, Cabassu, et al., 2005
Figuérédo, G.; Cabassu, P.; Chalchat, J.-C.; Pasquier, B., Studies of Mediterranean oregano populations- V. Chemical composition of essential oils of oregano: Origanum syriacum L. var. bevanii (Holmes) Ietswaart, O. syriacum L. var. sinaicum (Boiss.) Ietswaart, and O. syriacum L. var. syriacum from Lebanon and Israel, Flavour Fragr. J., 2005, 20, 164-168. [all data]

Leffingwell and Alford, 2005
Leffingwell, J.C.; Alford, E.D., Volatile constituents of Perique tobacco, Electron. J. Environ. Agric. Food Chem., 2005, 4, 2, 899-915. [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]

Azodanlou, Darbellay, et al., 2003
Azodanlou, R.; Darbellay, C.; Luisier, J.-L.; Villettaz, J.-C.; Amadò, R., Quality assessment of strawberries (Fragaria species), J. Agric. Food Chem., 2003, 51, 3, 715-721, https://doi.org/10.1021/jf0200467 . [all data]

Bloss, Acree, et al., 2002
Bloss, J.; Acree, T.E.; Bloss, J.M.; Hood, W.R.; Kunz, T.H., Potential use of chemical cues for colony-mate recognition in the big brown bat, Eptesicus fuscus, J. Chem. Ecol., 2002, 28, 4, 819-834, https://doi.org/10.1023/A:1015296928423 . [all data]

Ngassoum, Jirovetz, et al., 2001
Ngassoum, M.B.; Jirovetz, L.; Buchbauer, G., SPME/GC/MS analysis of headspace aroma compounds of the Cameroonian fruit Tetrapleura tetraptera (Thonn.) Taub., Eur. Food Res. Technol., 2001, 213, 1, 18-21, https://doi.org/10.1007/s002170100330 . [all data]

Weenen, Koolhaas, et al., 1996
Weenen, H.; Koolhaas, W.E.; Apriyantono, A., Sulfur-containing volatiles of durian fruits (Durio zibethinus Murr.), J. Agric. Food Chem., 1996, 44, 10, 3291-3293, https://doi.org/10.1021/jf960191i . [all data]

Peppard, 1992
Peppard, T.L., Volatile flavor constituents of Monstera deliciosa, J. Agric. Food Chem., 1992, 40, 2, 257-262, https://doi.org/10.1021/jf00014a018 . [all data]

Anker, Jurs, et al., 1990
Anker, L.S.; Jurs, P.C.; Edwards, P.A., Quantitative structure-retention relationship studies of odor-active aliphatic compounds with oxygen-containing functional groups, Anal. Chem., 1990, 62, 24, 2676-2684, https://doi.org/10.1021/ac00223a006 . [all data]

Takeoka and Butter, 1989
Takeoka, G.; Butter, R.G., Volatile constituents of pineapple (Ananas Comosus [L.] Merr.) in Flavor Chemistry. Trends and Developments, Teranishi,R.; Buttery,R.G.; Shahidi,F., ed(s)., American Chemical Society, Washington, DC, 1989, 223-237. [all data]

De Pooter, De Buyck, et al., 1986
De Pooter, H.L.; De Buyck, L.F.; Schamp, N.M., The Volatiles of Calamintha Nepeta Subsp. Glandulosa, Phytochemistry, 1986, 25, 3, 691-694, https://doi.org/10.1016/0031-9422(86)88025-6 . [all data]

Habu, Flath, et al., 1985
Habu, T.; Flath, R.A.; Mon, T.R.; Morton, J.F., Volatile components of Rooibos tea (Aspalathus linearis), J. Agric. Food Chem., 1985, 33, 2, 249-254, https://doi.org/10.1021/jf00062a024 . [all data]

Dirinck, de Pooter, et al., 1981
Dirinck, P.J.; de Pooter, H.L.; Willaert, G.A.; Schamp, N.M., Flavor quality of cultivated strawberries: the role of the sulfur compounds, J. Agric. Food Chem., 1981, 29, 2, 316-321, https://doi.org/10.1021/jf00104a024 . [all data]


Notes

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