1-Butanol

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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 Polydimethyl siloxane: CP-Sil 5 CBOptima-5 MSHP-5 MSHP-5 MSHP-5
Column length (m) 60.30.30.30.10.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.250.250.320.250.10
Phase thickness (μm) 1.00.250.250.250.40
Tstart (C) 45.35.50.40.40.
Tend (C) 210.250.240.250.280.
Heat rate (K/min) 3.610.4.4.20.
Initial hold (min) 1.453.2.2.1.
Final hold (min) 2.725.10.5.1.
I 654.655.650.656.670.
ReferenceBramston-Cook, 2013Goeminne, Vandendriessche, et al., 2012Pino, Marquez, et al., 2010Raffo, Kelderer, et al., 2009Mildner-Szkudlarz and Jelen, 2008
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SPB-5SPB-5SPB-5HP-5SPB-5
Column length (m) 60.60.60.30.30.
Carrier gas    HeHe
Substrate      
Column diameter (mm) 0.320.320.320.250.25
Phase thickness (μm) 1.1.1.0.250.25
Tstart (C) 40.40.40.35.60.
Tend (C) 230.230.230.200.250.
Heat rate (K/min) 3.3.3.3.4.
Initial hold (min) 5.5.5.5.2.
Final hold (min) 5.5.5. 20.
I 664.664.664.646.668.
ReferenceVasta, Ratel, et al., 2007Vasta, Ratel, et al., 2007Vasta, Ratel, et al., 2007Isidorov, Purzynska, et al., 2006Pino, Marbot, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5MDN-5HP-5SPB-5RSL-200
Column length (m) 60.30.30.30.30.
Carrier gas HeHe HeliumH2
Substrate      
Column diameter (mm) 0.250.250.250.250.32
Phase thickness (μm) 0.250.25 0.250.25
Tstart (C) 35.40.50.60.40.
Tend (C) 280.280.200.250.280.
Heat rate (K/min) 5.20.3.4.6.
Initial hold (min) 2.1. 2.5.
Final hold (min) 4.1. 20.5.
I 688.670.665.668.643.
ReferenceDhanda, Pegg, et al., 2003Mildner-Szkudlarz, Jelen, et al., 2003Isidorov and Jdanova, 2002Pino, Marbot, et al., 2002Ngassoum, Jirovetz, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase BP-1OV-101Methyl SiliconeHP-5Ultra-2
Column length (m) 50.50.60.25.50.
Carrier gas HeNitrogen  He
Substrate      
Column diameter (mm) 0.220.250.250.200.32
Phase thickness (μm) 0.75 0.250.330.52
Tstart (C) 50.40.40.50.40.
Tend (C) 200.200.220.180.250.
Heat rate (K/min) 5.2.5.5.4.
Initial hold (min)  10.10.3.3.
Final hold (min)     30.
I 643.635.642.48663.652.
ReferenceHealth Safety Executive, 2000Tamura, Boonbumrung, et al., 2000Baraldi, Rapparini, et al., 1999Jung, Wichmann, et al., 1999King, Matthews, et al., 1995
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1OV-101Ultra-2DB-5DB-1
Column length (m) 60.50.50.60.30.
Carrier gas He HeHeHe
Substrate      
Column diameter (mm) 0.320.220.320.250.25
Phase thickness (μm)   0.520.250.25
Tstart (C) 30.80.40.40.50.
Tend (C) 200.200.250.200.240.
Heat rate (K/min) 4.2.4.3.3.
Initial hold (min) 25. 3.2.5.
Final hold (min) 20. 30.  
I 638.655.681.653.633.
ReferenceButtery, Stern, et al., 1994Egolf and Jurs, 1993King, Hamilton, et al., 1993Shimoda, Shibamoto, et al., 1993Shiota, 1993
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1DB-1DB-1DB-1OV-101
Column length (m) 30.30.30.60.50.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.320.32
Phase thickness (μm) 0.250.250.251.20.5
Tstart (C) 50.50.50.30.50.
Tend (C) 240.240.240.240.250.
Heat rate (K/min) 3.5.5.3.4.
Initial hold (min) 5.3.3.10. 
Final hold (min)      
I 634.633.634.661.656.
ReferenceShiota, 1993Shiota, 1993Shiota, 1993Ciccioli, Cecinato, et al., 1992Misharina, Golovnya, et al., 1991
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase OV-101HP-5HP-5DB-1OV-101
Column length (m) 50.50.50.60.50.
Carrier gas  H2H2 N2
Substrate      
Column diameter (mm) 0.280.30.30.320.25
Phase thickness (μm)      
Tstart (C) 80.80.80.50.80.
Tend (C) 200.250.250.250.200.
Heat rate (K/min) 2.16.16.4.2.
Initial hold (min)      
Final hold (min)    5. 
I 655.647.655.637.640.
ReferenceAnker, Jurs, et al., 1990Spadone, Takeoka, et al., 1990Spadone, Takeoka, et al., 1990Binder, Flath, et al., 1989Sugisawa, Yamamoto, et al., 1989
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryPacked
Active phase DB5-30WDB-1OV-101SP 2100Apiezon L
Column length (m) 30.50.50.40.2.
Carrier gas He HeHelium 
Substrate     Chromosorb G-AW-DMCS
Column diameter (mm) 0.250.320.310.20 
Phase thickness (μm) 0.25    
Tstart (C) 60.0.0.40.25.
Tend (C) 300.250.225.200. 
Heat rate (K/min) 5.3.3.10.10.
Initial hold (min)   1.  
Final hold (min)      
I 640.657.661.654.670.
ReferenceSchwab and Schreier, 1988Habu, Flath, et al., 1985del Rosario, de Lumen, et al., 1984Labropoulos, Palmer, et al., 1982Dahlmann, Köser, et al., 1979
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillary
Active phase OV-1SF-96
Column length (m) 183.111.
Carrier gas N2Nitrogen
Substrate   
Column diameter (mm) 0.7620.76
Phase thickness (μm)   
Tstart (C) 0. 
Tend (C) 230.130.
Heat rate (K/min) 1.3.
Initial hold (min)  8.
Final hold (min)  40.
I 657.684.
ReferenceSchreyen, Dirinck, et al., 1979Donetzhuber, Johansson, et al., 1976
Comment 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.

Bramston-Cook, 2013
Bramston-Cook, R., Kovats indices for C2-C13 hydrocarbons and selected oxygenated/halocarbons with 100 % dimethylpolysiloxane columns, 2013, retrieved from http://lotusinstruments.com/monographs/List .... [all data]

Goeminne, Vandendriessche, et al., 2012
Goeminne, P.C.; Vandendriessche, T.; Van Eldere, J.; Nicolai, B.M.; Hertog, M.L.; Dupont, L.J., Detection of Pseudomonas aeruginosa in sputum headspace through volatile organic compound analysis, Respiratory Res., 2012, 13, 87, 1-9. [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]

Mildner-Szkudlarz and Jelen, 2008
Mildner-Szkudlarz, S.; Jelen, H.H., The potential of different techniques for volatile compounds analysis coupled with PCA for the detection of the adulteration of olive oil with hazelnut oil, Food Chem., 2008, 110, 3, 751-761, https://doi.org/10.1016/j.foodchem.2008.02.053 . [all data]

Vasta, Ratel, et al., 2007
Vasta, V.; Ratel, J.; Engel, E., Mass Spectrometry Analysis of Volatile Compounds in Raw Meat for the Authentication of the Feeding Background of Farm Animals, J. Agric. Food Chem., 2007, 55, 12, 4630-4639, https://doi.org/10.1021/jf063432n . [all data]

Isidorov, Purzynska, et al., 2006
Isidorov, V.; Purzynska, A.; Modzelewska, A.; Serowiecka, M., Distribution coefficients of aliphatic alcohols, carbonyl compounds and esters between air and Carboxen/polydimethylsiloxane fiber coating, Anal. Chim. Acta., 2006, 560, 1-2, 103-109, https://doi.org/10.1016/j.aca.2005.12.043 . [all data]

Pino, Marbot, et al., 2005
Pino, J.A.; Marbot, R.; Rosado, A.; Vázquez, C., Volatile constituents of genipap (Genipa americana L.) fruit from Cuba, Flavour Fragr. J., 2005, 20, 6, 583-586, https://doi.org/10.1002/ffj.1491 . [all data]

Dhanda, Pegg, et al., 2003
Dhanda, J.S.; Pegg, R.B.; Shand, P.J., Saskatchewan specialty livestock value-added program - Saskatchewan agri-food innovation fund (AFIF) Project #98000016, 2003, retrieved from http://www.agr.gov.sk.ca/afif/Projects/19980016.pdf. [all data]

Mildner-Szkudlarz, Jelen, et al., 2003
Mildner-Szkudlarz, S.; Jelen, H.H.; Zawirska-Wojtasiak, R.; Wasowicz, E., Application of headspace - solid phase microextraction and multivariate analysis for plant oils differentiation, Food Chem., 2003, 83, 4, 515-522, https://doi.org/10.1016/S0308-8146(03)00147-X . [all data]

Isidorov and Jdanova, 2002
Isidorov, V.; Jdanova, M., Volatile organic compounds from leaves litter, Chemosphere, 2002, 48, 9, 975-979, https://doi.org/10.1016/S0045-6535(02)00074-7 . [all data]

Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Vazquez, C., Characterization of volatiles in Loquat fruit (Eriobotrya japonica Lindl.), Revista CENIC Ciencias Quimicas, 2002, 33, 3, 115-119. [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]

Health Safety Executive, 2000
Health Safety Executive, MDHS 96 Volatile organic compounds in air - Laboratory method using pumed solid sorbent tubes, solvent desorption and gas chromatography in Methods for the Determination of Hazardous Substances (MDHS) guidance, Crown, Colegate, Norwich, 2000, 1-24, retrieved from http://www.hse.gov.uk/pubns/mdhs/pdfs/mdhs96.pdf. [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]

Baraldi, Rapparini, et al., 1999
Baraldi, R.; Rapparini, F.; Rossi, F.; Latella, A.; Ciccioli, P., Volatile organic compound emissions from flowers of the most occurring and economically important species of fruit trees, Phys. Chem. Earth, 1999, 24, 6, 729-732, https://doi.org/10.1016/S1464-1909(99)00073-8 . [all data]

Jung, Wichmann, et al., 1999
Jung, A.; Wichmann, K.-H.; Kolb, M., VOC emission of polymeric packaging materials, LaborPraxis, 1999, 23, 9, 20-22. [all data]

King, Matthews, et al., 1995
King, M.-F.; Matthews, M.A.; Rule, D.C.; Field, R.A., Effect of beef packaging method on volatile compounds developed by oven roasting or microwave cooking, J. Agric. Food Chem., 1995, 43, 3, 773-778, https://doi.org/10.1021/jf00051a039 . [all data]

Buttery, Stern, et al., 1994
Buttery, R.G.; Stern, D.J.; Ling, L.C., Studies on flavor volatiles of some sweet corn products, J. Agric. Food Chem., 1994, 42, 3, 791-795, https://doi.org/10.1021/jf00039a038 . [all data]

Egolf and Jurs, 1993
Egolf, L.M.; Jurs, P.C., Quantitative structure-retention and structure-odor intensity relationships for a diverse group of odor-active compounds, Anal. Chem., 1993, 65, 21, 3119-3126, https://doi.org/10.1021/ac00069a027 . [all data]

King, Hamilton, et al., 1993
King, M.-F.; Hamilton, B.L.; Matthews, M.A.; Rule, D.C.; Field, R.A., Isolation and identification of volatiles and condensable material in raw beef with supercritical carbon dioxide extraction, J. Agric. Food Chem., 1993, 41, 11, 1974-1981, https://doi.org/10.1021/jf00035a030 . [all data]

Shimoda, Shibamoto, et al., 1993
Shimoda, M.; Shibamoto, T.; Noble, A.C., Evaluation of heaspace volatiles of Cabernet Sauvignon wines sampled by an on-column method, J. Agric. Food Chem., 1993, 41, 10, 1664-1668, https://doi.org/10.1021/jf00034a028 . [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]

Ciccioli, Cecinato, et al., 1992
Ciccioli, P.; Cecinato, A.; Brancaleoni, E.; Frattoni, M.; Liberti, A., Use of carbon adsorption traps combined with high resolution gas chromatography - mass spectrometry for the analysis of polar and non-polar C4-C14 hydrocarbons involved in photochemical smog formation, J. Hi. Res. Chromatogr., 1992, 15, 2, 75-84, https://doi.org/10.1002/jhrc.1240150205 . [all data]

Misharina, Golovnya, et al., 1991
Misharina, T.A.; Golovnya, R.V.; Charnomskii, V.V., Volatile components of boiled shrimp funchalia woodwardi and crab geryon maritae, Zh. Anal. Khim., 1991, 46, 1421-1429. [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]

Spadone, Takeoka, et al., 1990
Spadone, J.-C.; Takeoka, G.; Liardon, R., Analytical Investigation of Rio Off-Flavor in Green Coffee, J. Agric. Food Chem., 1990, 38, 1, 226-233, https://doi.org/10.1021/jf00091a050 . [all data]

Binder, Flath, et al., 1989
Binder, R.G.; Flath, R.A.; Mon, T.R., Volatile components of bittermelon, J. Agric. Food Chem., 1989, 37, 2, 418-420, https://doi.org/10.1021/jf00086a032 . [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]

Schwab and Schreier, 1988
Schwab, W.; Schreier, P., Simultaneous enzyme catalysis extraction: A versatile technique for the study of flavor precursors, J. Agric. Food Chem., 1988, 36, 6, 1238-1242, https://doi.org/10.1021/jf00084a028 . [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]

del Rosario, de Lumen, et al., 1984
del Rosario, R.; de Lumen, B.O.; Habu, T.; Flath, R.A.; Mon, T.R.; Teranishi, R., Comparison of headspace volatiles from winged beans and soybeans, J. Agric. Food Chem., 1984, 32, 5, 1011-1015, https://doi.org/10.1021/jf00125a015 . [all data]

Labropoulos, Palmer, et al., 1982
Labropoulos, A.E.; Palmer, J.K.; Tao, P., Flavor evaluation and characterization of yogurt as affected by ultra-high temperature and vat processes, J. Dairy Sci., 1982, 65, 2, 191-196, https://doi.org/10.3168/jds.S0022-0302(82)82176-0 . [all data]

Dahlmann, Köser, et al., 1979
Dahlmann, G.; Köser, H.J.K.; Oelert, H.H., Multiple korrelation von retentionsindizes, Chromatographia, 1979, 12, 10, 665-671, https://doi.org/10.1007/BF02302943 . [all data]

Schreyen, Dirinck, et al., 1979
Schreyen, L.; Dirinck, P.; Sandra, P.; Schamp, N., Flavor analysis of quince, J. Agric. Food Chem., 1979, 27, 4, 872-876, https://doi.org/10.1021/jf60224a058 . [all data]

Donetzhuber, Johansson, et al., 1976
Donetzhuber, A.; Johansson, K.; Sandstroem, C., Gas phase characterization of wood, pulp, and paper, Appl. Polymer Symp., 1976, 28, 889-901. [all data]


Notes

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