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Methyl Isobutyl Ketone

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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-5 MSDB-5SLB-5 MSSLB-5 MSDB-5 MS
Column length (m)
Carrier gas HeliumHydrogenHeliumHeliumHelium
Column diameter (mm)
Phase thickness (mum)
Program 40 0C (10 min) 3 0C/min -> 200 0C 2 0C/min -> 220 0C35 0C 4 0C/min -> 180 0C 17 0C/min -> 280 0C (10 min)50 0C 3 0C/min -> 250 0C (1 min) 10 0C/min -> 300 0C (5 min)not specified45 0C (0.75 min) 10 0C/min -> 200 0C 30 0C/min -> 245 0C (1.25 min)
I 749.759.732.728.740.
ReferenceNance and Setzer, 2011da Fonseca, Bizerra, et al., 2009Costa, De Fina, et al., 2008Costa, De Fina, et al., 2008Cajka, Hajslova, et al., 2007
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Methyl SiliconeMethyl SiliconeRTX-5RTX-5Methyl Silicone
Column length (m)   30.30.60.
Carrier gas   N2N2Helium
Column diameter (mm)
Phase thickness (mum)
Program not specifiednot specifiednot specifiednot specified-50 0C (2 min) 8 0C/min -> 200 0C (7.75 min) 25 0C -> 225 0C (8 min)
I 698.721.730.730.722.
ReferenceChen and Feng, 2007Feng and Mu, 2007Ádámová, Orinák, et al., 2005Ádámová, Orinák, et al., 2005Blunden, Aneja, et al., 2005
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1HP-5HP-1SE-30Polydimethyl siloxane
Column length (m) 60.60.   
Carrier gas He    
Column diameter (mm) 0.320.32   
Phase thickness (mum) 0.251.   
Program 33C(5min) => 2C/min => 50c => 5C/min => 225Cnot specifiednot specifiednot specifiednot specified
I 713.733.720.725.720.
ReferenceCramer, Mattinson, et al., 2005Thierry, Maillard, et al., 2005Junkes, Amboni, et al., 2004Vinogradov, 2004Junkes, Castanho, et al., 2003
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase BP-1CP-Sil5 CB MSMethyl SiliconeSPB-1Polydimethyl siloxanes
Column length (m) 50.50. 60. 
Carrier gas He  He 
Column diameter (mm) 0.250.32 0.53 
Phase thickness (mum) 1.0.4 5. 
Program -50C => 49.9C/min => 5C(3min) => 3C/min => 50C => 5C/min => 220C(20 min)0C (3min) => 3C/min => 50C => 5C/min => 220C (30min)not specified40C(6min) => 5C/min => 80C => 10C/min => 200Cnot specified
I 715.83726.721.723.726.
ReferenceCooke, Hassoun, et al., 2001Tirillini, Verdelli, et al., 2000Estrada and Gutierrez, 1999Flanagan, Streete, et al., 1997Zenkevich and Chupalov, 1996
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1DB-1SPB-1SPB-1CP Sil 8 CB
Column length (m)
Carrier gas   HeliumHeliumHe
Column diameter (mm) 0.320.320.530.530.25
Phase thickness (mum)
Program not specified3 min at 5 C; 5 - 50 C at 3 deg/min; 50 - 220 C at 5 deg/min40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0Cnot specified30 0C (1 min) 15 0C/min -> 45 0C 3 0C/min -> 120 0C
I 720.720.723.724.740.
ReferenceCiccioli, Cecinato, et al., 1994Ciccioli, Brancaleoni, et al., 1993Strete, Ruprah, et al., 1992Strete, Ruprah, et al., 1992Weller and Wolf, 1989
Column type Capillary
Active phase OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.
Column length (m) 50.
Carrier gas Hydrogen
Column diameter (mm) 0.32
Phase thickness (mum)  
Program not specified
I 720.
ReferenceWaggott and Davies, 1984
Comment MSDC-RI


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.

Nance and Setzer, 2011
Nance, M.R.; Setzer, W.N., Volatile components of aroma hops (Humulus lupulus L.) commonly used in beer brewing, J. of Brewing and Distilling, 2011, 2, 2, 16-22. [all data]

da Fonseca, Bizerra, et al., 2009
da Fonseca, A.M.; Bizerra, A.M.C.; de Souza, J.S.N.; Monte, F.J.Q.; de Oliveira M.C.F.; de Mattos, M.C.; Cordell, G.A.; Braz-Filho, R.; Lemos, T.L.G., Constituents and antioxidant activity of two varieties of coconut water (Cocos nucifera L.), Braz. J. Pharmacognosy, 2009, 19, 1B, 193-198. [all data]

Costa, De Fina, et al., 2008
Costa, R.; De Fina, M.R.; Valentino, M.R.; Rustaiyan, A.; Dugo, P.; Dugo, G.; Mondello, L., An investigation on the volatile composition of some Artemisia species from Iran, Flavour Fragr. J., 2008, 24, 2, 75-82, https://doi.org/10.1002/ffj.1919 . [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]

Chen and Feng, 2007
Chen, Y.; Feng, C., QSPR study on gas chromatography retention index of some organic pollutants, Comput. Appl. Chem. (China), 2007, 24, 10, 1404-1408. [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]

Ádámová, Orinák, et al., 2005
Ádámová, M.; Orinák, A.; Halás, L., Retention indices as identification tool in pyrolysis-capillary gas chromatography, J. Chromatogr. A, 2005, 1087, 1-2, 131-141, https://doi.org/10.1016/j.chroma.2005.01.003 . [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]

Cramer, Mattinson, et al., 2005
Cramer, A.-C.J.; Mattinson, D.S.; Fellman, J.K.; Baik, B.-K., Analysis of volatile compounds from various types of barley cultivars, J. Agric. Food Chem., 2005, 53, 19, 7526-7531, https://doi.org/10.1021/jf0506939 . [all data]

Thierry, Maillard, et al., 2005
Thierry, A.; Maillard, M.-B.; Bonnarme, P.; Roussel, E., The addition of Propionibacterium freudenreichii to raclette cheese induces biochemical changes and enhances flavor development, J. Agric. Food Chem., 2005, 53, 10, 4157-4165, https://doi.org/10.1021/jf0481195 . [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]

Cooke, Hassoun, et al., 2001
Cooke, K.M.; Hassoun, S.; Sanders, S.M.; Pilling, M.J., Identification and quantification of volatile organic compounds found in a eucalyptus forest during FIELDVOC'94 in Portugal, Chemosphere Global Change Science, 2001, 3, 3, 249-257, https://doi.org/10.1016/S1465-9972(01)00008-3 . [all data]

Tirillini, Verdelli, et al., 2000
Tirillini, B.; Verdelli, G.; Paolocci, F.; Ciccioli, P.; Frattoni, M., The volatile organic compounds from the mycelium of Tuber borchii Vitt., Phytochemistry, 2000, 55, 8, 983-985, https://doi.org/10.1016/S0031-9422(00)00308-3 . [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]

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]

Zenkevich and Chupalov, 1996
Zenkevich, I.G.; Chupalov, A.A., New Possibilities of Chromato Mass Pectrometric Identification of Organic Compounds Using Increments of Gas Chromatographic Retention Indices of Molecular Structural Fragments, Zh. Org. Khim. (Rus.), 1996, 32, 5, 656-666. [all data]

Ciccioli, Cecinato, et al., 1994
Ciccioli, P.; Cecinato, A.; Brancaleoni, E.; Brachetti, A.; Frattoni, M.; Sparapani, R., Composition and Distribution of Polar and Non-Polar VOCs in Urban, Rural, Forest and Remote Areas, Eur Commission EUR, 1994, 549-568. [all data]

Ciccioli, Brancaleoni, et al., 1993
Ciccioli, P.; Brancaleoni, E.; Cecinato, A.; Sparapani, R.; Frattoni, M., Identification and determination of biogenic and anthropogenic volatile organic compounds in forest areas of Northern and Southern Europe and a remote site of the Himalaya region by high-resolution gas chromatography-mass spectrometry, J. Chromatogr., 1993, 643, 1-2, 55-69, https://doi.org/10.1016/0021-9673(93)80541-F . [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]

Weller and Wolf, 1989
Weller, J.-P.; Wolf, M., Massenspektroskopie und Headspace-GC, Beitr. Gerichtl. Med., 1989, 47, 525-532. [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]


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