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Heptanoic acid, ethyl 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 groupsHP-5 MSBPX-5BPX-5
Column length (m)   30.30.30.
Carrier gas   HeliumHeliumHelium
Substrate      
Column diameter (mm)   0.320.250.25
Phase thickness (mum)   0.250.250.25
Program not specifiednot specifiednot specified35 0C (5 min) 3 0C/min -> 210 0C 40 0C/min -> 240 0C (10 min)not specified
I 1093.1098.1098.1104.1103.
ReferenceRobinson, Adams, et al., 2012Robinson, Adams, et al., 2012Pino, Marquez, et al., 2010se Souza, Cardeal, et al., 2009se Souza, Cardeal, et al., 2009
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5HP-5DB-5DB-5 MSDB-5 MS
Column length (m) 30.30.30.30.30.
Carrier gas    HeliumHelium
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (mum) 0.250.250.250.250.25
Program 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 specified50C(1min) => 5C/min => 100C => 10C/min => 250C (9min)45 0C (0.75 min) 10 0C/min -> 200 0C 30 0C/min -> 245 0C (1.25 min)45 0C (0.75 min) 10 0C/min -> 200 0C 30 0C/min -> 245 0C (1.25 min)
I 1096.1097.1099.1068.1068.
ReferenceZhao, Li, et al., 2008Zhao, Li, et al., 2008Beaulieu and Lancaster, 2007Cajka, Hajslova, et al., 2007Cajka, Hajslova, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5SE-30DB-5Methyl SiliconeMethyl Silicone
Column length (m) 60. 30.  
Carrier gas      
Substrate      
Column diameter (mm) 0.25 0.32  
Phase thickness (mum) 0.25 1.  
Program 50C => 5C/min => 100C => 15C/min => 250C (19C)not specified35C(4min) => 2C/min => 130C => 4C/min => 250Cnot specifiednot specified
I 1099.1082.1097.1082.1081.
ReferenceBeaulieu, 2005Vinogradov, 2004Qian and Reineccius, 2003Zenkevich, 1999Grundschober, 1991
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillary
Active phase DB-1DB-1OV-101OV-101
Column length (m) 30.30.25.50.
Carrier gas H2H2He 
Substrate     
Column diameter (mm) 0.250.250.310.25
Phase thickness (mum) 0.250.25  
Program 30C (2min) => 2C/min => 150C => 4C/min => 250C30C (2min) => 2C/min => 150C => 4C/min => 250Cnot specifiednot specified
I 1080.1081.1082.1082.
ReferenceTakeoka, Flath, et al., 1988Takeoka, Flath, et al., 1988Morales and Duque, 1987Shibamoto, 1987
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.

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]

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]

se Souza, Cardeal, et al., 2009
se Souza, P.P.; Cardeal, Z.DeL.; Augusti, R.; Morrison, P.; Marriott, P.J., Determination of volatile compounds in Brazilian distilled cachaca by using comprehensive two-dimensional gas chromatography and effects of production pathways, J. Chromatogr. A., 2009, 1216, 14, 2881-2890, https://doi.org/10.1016/j.chroma.2008.10.061 . [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]

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]

Cajka, Hajslova, et al., 2007
Cajka, T.; Hajslova, J.; Cochran, J.; Holadova, K.; Klimankova, E., Solid phase microextraction - comprehensive two dimensional gas chromatography - time-of-flight mass spectrometry for the analysis of honey volatiles, J. Sep. Sci., 2007, 30, 4, 534-546, https://doi.org/10.1002/jssc.200600413 . [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]

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

Qian and Reineccius, 2003
Qian, M.; Reineccius, G., Potent aroma compounds in Parmigiano Reggiano cheese studied using a dynamic headspace (purge-trap) method, Flavour Fragr. J., 2003, 18, 3, 252-259, https://doi.org/10.1002/ffj.1194 . [all data]

Zenkevich, 1999
Zenkevich, I.G., Mutual Correlation between Gas-Chromatographic Retention Indices of Organic Compounds from Different Series, Zh. Anal. Khim., 1999, 54, 12, 1272-1279. [all data]

Grundschober, 1991
Grundschober, F., The identification of individual components in flavourings and flavoured foods, Z. Lebensm. Unters. Forsch., 1991, 192, 6, 530-534, https://doi.org/10.1007/BF01202508 . [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]

Shibamoto, 1987
Shibamoto, T., Retention Indices in Essential Oil Analysis in Capillary Gas Chromatography in Essential Oil Analysis, Sandra, P.; Bicchi, C., ed(s)., Hutchig Verlag, Heidelberg, New York, 1987, 259-274. [all data]


Notes

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