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4-Heptanone

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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 DB-5Methyl SiliconeMethyl SiliconeMethyl SiliconeHP-1
Column length (m) 60. 60.  
Carrier gas Helium Helium  
Substrate      
Column diameter (mm) 0.25 0.32  
Phase thickness (mum) 1.00 1.0  
Program 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min)not specified-50 0C (2 min) 8 0C/min -> 200 0C (7.75 min) 25 0C -> 225 0C (8 min)not specifiednot specified
I 878.853.855.868.852.
ReferenceMiyazaki, Plotto, et al., 2011Feng and Mu, 2007Blunden, Aneja, et al., 2005Hadorn, Eberhard, et al., 2005Junkes, Amboni, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-30Polydimethyl siloxaneMethyl SiliconeHP-5SPB-1
Column length (m)    50.60.
Carrier gas    HeHe
Substrate      
Column diameter (mm)    0.320.53
Phase thickness (mum)    0.525.
Program not specifiednot specifiednot specified35 0C 10 0C/min -> 200 0C (20 min) 5 0C/min -> 230 0C (50 min)40C(6min) => 5C/min => 80C => 10C/min => 200C
I 853.852.853.877.857.
ReferenceVinogradov, 2004Junkes, Castanho, et al., 2003Estrada and Gutierrez, 1999Timón, Ventanas, et al., 1998Flanagan, Streete, et al., 1997
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillary
Active phase SPB-1SPB-1OV-1
Column length (m) 60.60. 
Carrier gas HeliumHelium 
Substrate    
Column diameter (mm) 0.530.53 
Phase thickness (mum) 5.05.0 
Program 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0Cnot specifiednot specified
I 857.857.857.
ReferenceStrete, Ruprah, et al., 1992Strete, Ruprah, et al., 1992Ramsey and Flanagan, 1982
Comment 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.

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]

Feng and Mu, 2007
Feng, H.; Mu, L.-L., Quantitative structure-retention relationships for alkane and its derivatives based on electrotopological state index and molecular shape index, Chem. Ind. Engineering (Chinese), 2007, 24, 2, 161-168. [all data]

Blunden, Aneja, et al., 2005
Blunden, J.; Aneja, V.P.; Lonneman, W.A., Characterization of non-methane volatile organic compounds at swine facilities in eastern North Carolina, Atm. Environ., 2005, 39, 36, 6707-6718, https://doi.org/10.1016/j.atmosenv.2005.03.053 . [all data]

Hadorn, Eberhard, et al., 2005
Hadorn, R.; Eberhard, P.; Guggisberg, D.; Piccinali, P.; Schlichtherle-Cerny, H., An alternative surface culture for salami in 51st International Congress of Meat Science and Technology, August 7-12, 2005, Baltimore, MD USA, 2005, 1041-1045. [all data]

Junkes, Amboni, et al., 2004
Junkes, B.S.; Amboni, R.D.M.C.; Yunes, R.A.; Heinzen, V.E.F., Application of the semi-empirical topological index in quantitative structure-chromatographic retention relationship (QSRR) studies of aliphatic ketones and aldehydes on stationary phases of different polarity, J. Braz. Chem. Soc., 2004, 15, 2, 183-189, https://doi.org/10.1590/S0103-50532004000200005 . [all data]

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

Junkes, Castanho, et al., 2003
Junkes, B.S.; Castanho, R.D.M.; Amboni, C.; Yunes, R.A.; Heinzen, V.E.F., Semiempirical Topological Index: A Novel Molecular Descriptor for Quantitative Structure-Retention Relationship Studies, Internet Electronic Journal of Molecular Design, 2003, 2, 1, 33-49. [all data]

Estrada and Gutierrez, 1999
Estrada, E.; Gutierrez, Y., Modeling chromatographic parameters by a novel graph theoretical sub-structural approach, J. Chromatogr. A, 1999, 858, 2, 187-199, https://doi.org/10.1016/S0021-9673(99)00808-0 . [all data]

Timón, Ventanas, et al., 1998
Timón, M.L.; Ventanas, J.; Martín, L.; Tejeda, J.F.; García, C., Volatile compounds in supercritical carbon dioxide extracts of Iberian ham, J. Agric. Food Chem., 1998, 46, 12, 5143-5150, https://doi.org/10.1021/jf980652v . [all data]

Flanagan, Streete, et al., 1997
Flanagan, R.J.; Streete, P.J.; Ramsey, J.D., Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56, retrieved from http://www.odccp.org/pdf/technicalseries1997-01-011.pdf. [all data]

Strete, Ruprah, et al., 1992
Strete, P.J.; Ruprah, M.; Ramsey, J.D.; Flanagan, R.J., Detection and identification of volatile substances by headspace capillary gas chromatography to aid the diagnosis of acute poisoning, Analyst, 1992, 117, 7, 1111-1127, https://doi.org/10.1039/an9921701111 . [all data]

Ramsey and Flanagan, 1982
Ramsey, J.D.; Flanagan, R.J., Detection and Identification of Volatile Organic Compounds in Blood by Headspace Gas Chromatography as an Aid to the Diagnosis of Solvent Abuse, J. Chromatogr., 1982, 240, 2, 423-444, https://doi.org/10.1016/S0021-9673(00)99622-5 . [all data]


Notes

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