Butanoic acid, butyl 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 RTX-1DB-5DB-5OV-101HP-5 MS
Column length (m) 60.30.30.25.30.
Carrier gas HeliumHeliumHeliumNitrogenHelium
Substrate      
Column diameter (mm) 0.220.250.250.200.32
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 60.40.60.40.50.
Tend (C) 230.250.240.220.240.
Heat rate (K/min) 2.3.3.6.4.
Initial hold (min)  5.  2.
Final hold (min) 5.20.  10.
I 970.1002.992.986.996.
ReferenceBendiabdellah, El Amine Dib, et al., 2012Cao, Li, et al., 2011Fraternale, Ricci, et al., 2011Zenkevich, Eliseenkov, et al., 2011Pino, Marquez, et al., 2010
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5 MSDB-5DB-1Ultra-2RSL-200
Column length (m) 30.30.30.25.30.
Carrier gas HeliumNitrogenHeH2H2
Substrate      
Column diameter (mm) 0.250.250.250.250.32
Phase thickness (μm) 0.250.250.250.330.25
Tstart (C) 40.40.30.40.40.
Tend (C) 250.230.210.280.280.
Heat rate (K/min) 4.2.5.3.6.
Initial hold (min) 2.  2.5.
Final hold (min) 5.  10.5.
I 997.995.979.997.1009.
ReferenceRaffo, Kelderer, et al., 2009Scrivanti, Anton, et al., 2009Kumazawa, Itobe, et al., 2008Ceva-Antunes, Bizzo, et al., 2006Ngassoum, Jirovetz, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase OV-101OV-101DB-1DB-1DB-1
Column length (m) 50.50.30.30.30.
Carrier gas N2NitrogenHeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm)   0.250.250.25
Tstart (C) 80.40.50.50.50.
Tend (C) 200.200.240.240.240.
Heat rate (K/min) 2.2.3.3.5.
Initial hold (min)  10.5.5.3.
Final hold (min)      
I 975.977.975.975.975.
ReferenceYang, 2001Tamura, Boonbumrung, et al., 2000Shiota, 1993Shiota, 1993Shiota, 1993
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1OV-101OV-101DB-1DB-1
Column length (m) 30.50.50.30.30.
Carrier gas He  HeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.25  1.01.0
Tstart (C) 50.80.80.40.40.
Tend (C) 240.200.200.250.250.
Heat rate (K/min) 5.2.2.3.3.
Initial hold (min) 3.    
Final hold (min)    30.30.
I 975.975.977.978.979.
ReferenceShiota, 1993Tamura, Yang, et al., 1993Tamura, Yang, et al., 1993Peppard, 1992Peppard, 1992
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillary
Active phase OV-101OV-101SE-30SE-30
Column length (m) 50.50.200. 
Carrier gas  N2N2Helium
Substrate     
Column diameter (mm) 0.280.250.6 
Phase thickness (μm)     
Tstart (C) 80.80.20.70.
Tend (C) 200.200.220.170.
Heat rate (K/min) 2.2.2.2.
Initial hold (min)     
Final hold (min)     
I 979.977.977.987.
ReferenceAnker, Jurs, et al., 1990Sugisawa, Yamamoto, et al., 1989Dirinck, de Pooter, et al., 1981Alves and Jennings, 1979
Comment MSDC-RI MSDC-RI MSDC-RI 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.

Bendiabdellah, El Amine Dib, et al., 2012
Bendiabdellah, A.; El Amine Dib, M.; Djabou, N.; Allali, H.; Tabti, B.; Costa, J.; Myseli, A., Biological activities and volatile cinstituents of Daucus muricatus L. from Algeria, Chem. Centr. J., 2012, 6, 48, 1-22. [all data]

Cao, Li, et al., 2011
Cao, H.; Li, Z.; Chen, X., QSRR study of GC retention indices of volatile compounds emitted from Mosla chinensis Maxim. by multiply linear regression, Chin. J. Chem., 2011, 29, 10, 2187-2196, https://doi.org/10.1002/cjoc.201180379 . [all data]

Fraternale, Ricci, et al., 2011
Fraternale, D.; Ricci, D.; Flamini, G.; Giomaro, G., Volatile profile of red apple from Marche region (Italy), Rec. Nat. Prod., 2011, 5, 3, 202-207. [all data]

Zenkevich, Eliseenkov, et al., 2011
Zenkevich, I.G.; Eliseenkov, E.V.; Kasatochkin, A.N.; Ukolov, A.I., Identification of the products of nonregioselective organic reactions by chromatography - mass spectrometry: chloro derivatives of dialkyl ethers, Rus. J. Anal. Chem., 2011, 66, 14, 1445-1454, https://doi.org/10.1134/S1061934811140218 . [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]

Raffo, Kelderer, et al., 2009
Raffo, A.; Kelderer, M.; Paoletti, F.; Zanella, A., Impact of innovative controlled atmosphere storage technologies and postharvest treatment on volatile compound production in Cv. Pinova apples, J. Agric. Food Chem., 2009, 57, 3, 915-923, https://doi.org/10.1021/jf802054y . [all data]

Scrivanti, Anton, et al., 2009
Scrivanti, L.R.; Anton, A.M.; Zygadlo, J.A., Essential oil conposition of Bothriochloa Kuntze (Poaceae) from South America and their chemotaxonomy, Biochem. Systematics Ecol., 2009, 37, 3, 206-213, https://doi.org/10.1016/j.bse.2009.03.009 . [all data]

Kumazawa, Itobe, et al., 2008
Kumazawa, K.; Itobe, T.; Nishimura, O.; Hamaguchi, T., A new approach to estimate the in-mouth release characteristics of odorants in chewing gum, Food Science and Technology Research, 2008, 14, 3, 269-276, https://doi.org/10.3136/fstr.14.269 . [all data]

Ceva-Antunes, Bizzo, et al., 2006
Ceva-Antunes, P.M.N.; Bizzo, H.R.; Silva, A.S.; Carvalho, C.P.S.; Antunes, O.A.C., Analysis of volatile composition of siriguela (Spondias purpurea L.) by solid phase microextraction (SPME), LWT, 2006, 39, 4, 437-443, https://doi.org/10.1016/j.lwt.2005.02.007 . [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]

Yang, 2001
Yang, R., Analysis of the volatile components in peel oil of Yuzu by gas chromatography/mass spectrometry, Chin. J. Anal. Chem., 2001, 29, 3, 313-316. [all data]

Tamura, Boonbumrung, et al., 2000
Tamura, H.; Boonbumrung, S.; Yoshizawa, T.; Varanyanond, W., Volatile components of the essential oil in the pulp of four yellow mangoes (Mangifera indica L.) in Thailand, Food Sci. Technol. Res., 2000, 6, 1, 68-73, https://doi.org/10.3136/fstr.6.68 . [all data]

Shiota, 1993
Shiota, H., New esteric components in the volatiles of banana fruit (Musa sapientum L.), J. Agric. Food Chem., 1993, 41, 11, 2056-2062, https://doi.org/10.1021/jf00035a046 . [all data]

Tamura, Yang, et al., 1993
Tamura, H.; Yang, R.-H.; Sugisawa, H., Aroma profiles of peel oils of acid citrus, ACS Sym. Ser., 1993, 525, 121-136. [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]

Sugisawa, Yamamoto, et al., 1989
Sugisawa, H.; Yamamoto, M.; Tamura, H.; Takagi, N., The comparison of volatile components in peel oil from four species of navel orange, Nippon Shokuhin Kogio Gakkaishi, 1989, 36, 6, 455-462, https://doi.org/10.3136/nskkk1962.36.6_455 . [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]

Alves and Jennings, 1979
Alves, S.; Jennings, W.G., Volatile composition of certain Amazonian fruits, Food Chem., 1979, 4, 2, 149-159, https://doi.org/10.1016/0308-8146(79)90039-6 . [all data]


Notes

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