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1-Pentanol

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Van Den Dool and Kratz 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 DB-5MSSPB-5DB-5DB-5DB-5
Column length (m) 30.60.60.30.30.
Carrier gas He  HeHe
Substrate      
Column diameter (mm) 0.250.320.320.320.32
Phase thickness (mum) 0.251.1.0.250.25
Tstart (C) 40.40.40.40.40.
Tend (C) 200.230.260.250.250.
Heat rate (K/min) 4.3.4.5.5.
Initial hold (min) 1.2.2.2.2.
Final hold (min) 10.10.10.5.5.
I 764.765.766.760.760.
ReferenceCho, Namgung, et al., 2008Engel and Ratel, 2007Methven L., Tsoukka M., et al., 2007Wu, Zorn, et al., 2007Wu, Zorn, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5CP-Sil 8CB-MSHP-5MSZB-5CP-Sil 8CB-MS
Column length (m) 30.0.30.0.60.
Carrier gas  HeHe  
Substrate      
Column diameter (mm) 0.250.250.250.320.25
Phase thickness (mum) 1.0.250.250.50.25
Tstart (C) 50.40.60.40.40.
Tend (C) 290.280.250.265.280.
Heat rate (K/min) 10.4.4.7.4.
Initial hold (min) 1.2.2. 2.
Final hold (min) 10.5.20.5.5.
I 756.766.768.768.765.
ReferenceBylaite and Meyer, 2006Elmore, Cooper, et al., 2005Pino, Mesa, et al., 2005Gocmen, Gurbuz, et al., 2004Hierro, de la Hoz, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SPB-5HP-5HP-5MSDB-5HP-5
Column length (m) 30.30.30.60.30.
Carrier gas He HeHe 
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (mum) 0.250.10.250.25 
Tstart (C) 60.-30.50.40.25.
Tend (C) 250.250.200.275.150.
Heat rate (K/min) 4.10.6.7.3.
Initial hold (min) 2.1.1.5 5.
Final hold (min) 20.5.5.  
I 764.763.779.766.767.
ReferencePino, Marbot, et al., 2004Siegmund and Murkovic, 2004Weissbecker, Holighaus, et al., 2004Dreher, Rouseff, et al., 2003Isidorov, Vinogorova, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1DB-5BPX-5CP Sil 8 CBCP Sil 5 CB
Column length (m) 30.30.50.60.30.
Carrier gas HeHe HeH2
Substrate      
Column diameter (mm) 0.250.250.320.250.25
Phase thickness (mum) 0.251.0.50.250.25
Tstart (C) 40.50.60.40.60.
Tend (C) 325.200.250.280.280.
Heat rate (K/min) 3.2.54.4.2.
Initial hold (min)   5.2.10.
Final hold (min)   20. 40.
I 744.1760.4783.769.735.
ReferenceSun and Stremple, 2003Xu, van Stee, et al., 2003Bredie, Mottram, et al., 2002Elmore, Campo, et al., 2002Pino, Marbot, et al., 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP Sil 5 CBCP-Sil 8CB-MSSE-30SE-30SE-30
Column length (m) 50.60.25.25.25.
Carrier gas He HeHeHe
Substrate      
Column diameter (mm) 0.320.250.320.320.32
Phase thickness (mum) 0.40.251.1.1.
Tstart (C) 60.40.60.60.60.
Tend (C) 280.280.   
Heat rate (K/min) 3.4.2.4.6.
Initial hold (min) 10.2.   
Final hold (min) 60.    
I 735.772.759.754.754.
ReferencePino, Marbot, et al., 2002, 2Bruna, Hierro, et al., 2001Golovnya, Samusenko, et al., 2001Golovnya, Samusenko, et al., 2001Golovnya, Samusenko, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-30DB-1SPB-SulfurSPB-1HP-5
Column length (m) 25.60.30.30.50.
Carrier gas HeHe HeHe
Substrate      
Column diameter (mm) 0.320.320.320.320.32
Phase thickness (mum) 1.1.4.4.1.05
Tstart (C) 60.40.40.45.50.
Tend (C)  220.200.240.290.
Heat rate (K/min) 8.2.4.5.2.
Initial hold (min)  5.12.513. 
Final hold (min)    5. 
I 753.749.748.3752.760.
ReferenceGolovnya, Samusenko, et al., 2001Kim, 2001de Lacy Costello, Evans, et al., 2001Larráyoz, Addis, et al., 2001David, Scanlan, et al., 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP Sil 8 CBSE-30SE-30DB-5DB-5
Column length (m) 60.25.25.30.30.
Carrier gas HeHeHeH2H2
Substrate      
Column diameter (mm) 0.250.320.320.320.32
Phase thickness (mum) 0.251.1.1.1.
Tstart (C) 40.60.60.40.40.
Tend (C) 280.  210.210.
Heat rate (K/min) 4.4.4.3.3.
Initial hold (min) 2.    
Final hold (min)      
I 768.751.9751.9764.765.
ReferenceElmore, Mottram, et al., 2000Golovnya, Kuz'menko, et al., 2000Golovnya, Kuz'menko, et al., 2000, 2Moio, Piombino, et al., 2000Moio, Piombino, et al., 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-1CP Sil 8 CBBPX-5BPX-5
Column length (m) 30.60.50.50.50.
Carrier gas H2N2 HeHe
Substrate      
Column diameter (mm) 0.320.250.320.320.32
Phase thickness (mum) 1.1. 0.250.25
Tstart (C) 40.30.60.50.50.
Tend (C) 210.200.220.250.250.
Heat rate (K/min) 3.5.4.4.4.
Initial hold (min)   5.5.5.
Final hold (min)  30.30.5.5.
I 764.753.758.765.771.
ReferenceMoio, Piombino, et al., 2000Wu, Wang, et al., 2000Chevance and Farmer, 1999Mandin, Duckham, et al., 1999Mandin, Duckham, et al., 1999
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase BPX-5DB-5DB-5DB-5DB-5
Column length (m) 50.30.30.30.30.
Carrier gas HeH2H2H2H2
Substrate      
Column diameter (mm) 0.320.320.320.320.32
Phase thickness (mum) 0.501.1.1.1.
Tstart (C) 40.40.40.40.40.
Tend (C) 280.210.210.210.220.
Heat rate (K/min) 4.3.3.3.3.
Initial hold (min)      
Final hold (min)      
I 780.764.765.766.764.
ReferenceAaslyng, Elmore, et al., 1998Moio and Addeo, 1998Moio and Addeo, 1998Moio and Addeo, 1998Moio L., Rillo L., et al., 1996
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryPacked
Active phase DB-5DB-1SE-30CP Sil 5 CBOV-101
Column length (m) 30.15.25.25.2.5
Carrier gas H2 N2  
Substrate     Gas-Chrom Q
Column diameter (mm) 0.320.530.300.22 
Phase thickness (mum) 1.1.   
Tstart (C) 40.40.50.70.50.
Tend (C) 220.250. 205.220.
Heat rate (K/min) 3.8.6.4.2.
Initial hold (min)  4.   
Final hold (min)      
I 766.767.746.756.770.
ReferenceMoio L., Rillo L., et al., 1996Peng, 1992Korhonen, 1984Hendriks and Bruins, 1983Nixon, Wong, et al., 1979
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillary
Active phase OV-1OV-1
Column length (m) 183.183.
Carrier gas  N2
Substrate   
Column diameter (mm) 0.762 
Phase thickness (mum)   
Tstart (C) 0.0.
Tend (C) 230.230.
Heat rate (K/min) 1.1.
Initial hold (min)   
Final hold (min)   
I 763.762.
ReferenceSchreyen, Dirinck, et al., 1976Schreyen, Dirinck, et al., 1976, 2
Comment MSDC-RI MSDC-RI

References

Go To: Top, Van Den Dool and Kratz 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.

Cho, Namgung, et al., 2008
Cho, I.H.; Namgung, H.-J.; Choi, H.-K.; Kim, Y.-S., Volatiles and key odorants in the pileus and stipe of pine-mushroom (Tricholoma matsutake Sing.), Food Chem., 2008, 106, 1, 71-76, https://doi.org/10.1016/j.foodchem.2007.05.047 . [all data]

Engel and Ratel, 2007
Engel, E.; Ratel, J., Correction of the data generated by mass spectrometry analyses of biological tissues: Application to food authentication, J. Chromatogr. A, 2007, 1154, 1-2, 331-341, https://doi.org/10.1016/j.chroma.2007.02.012 . [all data]

Methven L., Tsoukka M., et al., 2007
Methven L.; Tsoukka M.; Oruna-Concha M.J.; Parker J.K.; Mottram D.S., Influence of sulfur amino acids on the volatile and nonvolatile components of cooked salmon (Salmo salar), J. Agric. Food Chem., 2007, 55, 4, 1427-1436, https://doi.org/10.1021/jf0625611 . [all data]

Wu, Zorn, et al., 2007
Wu, S.; Zorn, H.; Krings, U.; Berger, R.G., Volatiles from submerged and surface-cultured beefsteak fungus, Fistulina hepatica, Flavour Fragr. J., 2007, 22, 1, 53-60, https://doi.org/10.1002/ffj.1758 . [all data]

Bylaite and Meyer, 2006
Bylaite, E.; Meyer, A.S., · Characterisation of volatile aroma compounds of orange juices by three dynamic and static headspace gas chromatography techniques, Eur. Food Res. Technol., 2006, 222, 1-2, 176-184, https://doi.org/10.1007/s00217-005-0141-8 . [all data]

Elmore, Cooper, et al., 2005
Elmore, J.S.; Cooper, S.L.; Enser, M.; Mottram, D.S.; Sinclair, L.A.; Wilkinson, R.G.; Wood, J.D., Dietary manipulation of fatty acid composition in lamb meat and its effect on the volatile aroma compounds of grilled lamb, Meat Sci., 2005, 69, 2, 233-242, https://doi.org/10.1016/j.meatsci.2004.07.002 . [all data]

Pino, Mesa, et al., 2005
Pino, J.A.; Mesa, J.; Muñoz, Y.; Martí, M.P.; Marbot, R., Volatile components from mango (Mangifera indica L.) cultivars, J. Agric. Food Chem., 2005, 53, 6, 2213-2223, https://doi.org/10.1021/jf0402633 . [all data]

Gocmen, Gurbuz, et al., 2004
Gocmen, D.; Gurbuz, O.; Rouseff, R.L.; Smoot, J.M.; Dagdelen, A.F., Gas chromatographic-olfactometric characterization of aroma active compounds in sun-dried and vacuum-dried tarhana, Eur. Food Res. Technol., 2004, 218, 6, 573-578, https://doi.org/10.1007/s00217-004-0913-6 . [all data]

Hierro, de la Hoz, et al., 2004
Hierro, E.; de la Hoz, L.; Ordóñez, J.A., Headspace volatile compounds from salted and occasionally smoked dried meats (cecinas) as affected by animal species, Food Chem., 2004, 85, 4, 649-657, https://doi.org/10.1016/j.foodchem.2003.07.001 . [all data]

Pino, Marbot, et al., 2004
Pino, J.A.; Marbot, R.; Rosado, A.; Vázquez, C., Volatile constituents of Malay rose apple [Syzygium malaccense (L.) Merr. Perry], Flavour Fragr. J., 2004, 19, 1, 32-35, https://doi.org/10.1002/ffj.1269 . [all data]

Siegmund and Murkovic, 2004
Siegmund, B.; Murkovic, M., Changes in chemical composition of pumpkin seeds during the roasting process for production of pumpkin seed oil (Part 2: volatile compounds), Food Chem., 2004, 84, 3, 367-374, https://doi.org/10.1016/S0308-8146(03)00241-3 . [all data]

Weissbecker, Holighaus, et al., 2004
Weissbecker, B.; Holighaus, G.; Schütz, S., Gas chromatography with mass spectrometric and electroantennographic detection: analysis of wood odorants by direct coupling of insect olfaction and mass spectrometry, J. Chromatogr. A, 2004, 1056, 1-2, 209-216, https://doi.org/10.1016/j.chroma.2004.06.120 . [all data]

Dreher, Rouseff, et al., 2003
Dreher, J.G.; Rouseff, R.L.; Naim, M., GC-olfactometric characterization of aroma volatiles from the thermal degradation of thiamin in model orange juice, J. Agric. Food Chem., 2003, 51, 10, 3097-3102, https://doi.org/10.1021/jf034023j . [all data]

Isidorov, Vinogorova, et al., 2003
Isidorov, V.A.; Vinogorova, V.T.; Rafalowski, K., HS-SPME analysis of volatile organic compounds of coniferous needle litter, Atmos. Environ., 2003, 37, 33, 4645-4650, https://doi.org/10.1016/j.atmosenv.2003.07.005 . [all data]

Sun and Stremple, 2003
Sun, G.; Stremple, P., Retention index characterization of flavor, fragrance, and many other compounds on DB-1 and DB-XLB, 2003, retrieved from http://www.chem.agilent.com/cag/cabu/pdf/b-0279.pdf. [all data]

Xu, van Stee, et al., 2003
Xu, X.; van Stee, L.L.P.; Williams, J.; Beens, J.; Adahchour, M.; Vreuls, R.J.J.; Brinkman, U.A.Th.; Lelieveld, J., Comprehensive two-dimensional gas chromatography (GC×GC) measurements of volatile organic compounds in the atmosphere, Atmos. Chem. Phys., 2003, 3, 3, 665-682, https://doi.org/10.5194/acp-3-665-2003 . [all data]

Bredie, Mottram, et al., 2002
Bredie, W.L.P.; Mottram, D.S.; Guy, R.C.E., Effect of temperature and pH on the generation of flavor volatiles in extrusion cooking of wheat flour, J. Agric. Food Chem., 2002, 50, 5, 1118-1125, https://doi.org/10.1021/jf0111662 . [all data]

Elmore, Campo, et al., 2002
Elmore, J.S.; Campo, M.M.; Enser, M.; Mottram, D.S., Effect of lipid composition on meat-like model systems containing cysteine, ribose, and polyunsaturated fatty acids, J. Agric. Food Chem., 2002, 50, 5, 1126-1132, https://doi.org/10.1021/jf0108718 . [all data]

Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Bello, A., Volatile compounds of Psidium salutare (H.B.K.) Berg. fruit, J. Agric. Food Chem., 2002, 50, 18, 5146-5148, https://doi.org/10.1021/jf0116303 . [all data]

Pino, Marbot, et al., 2002, 2
Pino, J.A.; Marbot, R.; Vázquez, C., Characterization of volatile in Cosa Rican Guava [Psidium friedrichsthalianum (Berg) Niedenzu] fruit, J. Agric. Food Chem., 2002, 50, 21, 6023-6026, https://doi.org/10.1021/jf011456i . [all data]

Bruna, Hierro, et al., 2001
Bruna, J.M.; Hierro, E.M.; de la Hoz, L.; Mottram, D.S.; Fernández, M.; Ordóñez, J.A., The contribution of Penicillium aurantiogriseum to the volatile composition and sensory quality of dry fermented sausages, Meat Sci., 2001, 59, 1, 97-107, https://doi.org/10.1016/S0309-1740(01)00058-4 . [all data]

Golovnya, Samusenko, et al., 2001
Golovnya, R.V.; Samusenko, A.L.; Kuz'menko, T.E., The use of a nonlinear equation for calculation of the retention indices of polar substances in gas chromatography with linear temperature programming, Russ. Chem. Bull. (Engl. Transl.), 2001, 50, 6, 1027-1031, https://doi.org/10.1023/A:1011317218604 . [all data]

Kim, 2001
Kim, J.S., Einfluss der Temperatur beim Rösten von Sesam auf Aroma und antioxidative Eigenschaften des Öls, PhD Thesis, Technischen Universität Berlin zur Erlangung des akademischen Grades, Berlin, 2001, 151. [all data]

de Lacy Costello, Evans, et al., 2001
de Lacy Costello, B.P.J.; Evans, P.; Ewen, R.J.; Gunson, H.E.; Jones, P.R.H.; Ratcliffe, N.M.; Spencer-Phillips, P.T.N., Gas chromatography-mass spectrometry analyses of volatile organic compounds from potato tubers inoculated with Phytophthora infestans or Fusarium coeruleum, Plant Pathol., 2001, 50, 4, 489-496, https://doi.org/10.1046/j.1365-3059.2001.00594.x . [all data]

Larráyoz, Addis, et al., 2001
Larráyoz, P.; Addis, M.; Gauch, R.; Bosset, J.O., Comparison of dynamic headspace and simultaneous distillation extraction techniques used for the analysis of the volatile components in three European PDO ewes milk cheeses, Int. Dairy J., 2001, 11, 11-12, 911-926, https://doi.org/10.1016/S0958-6946(01)00144-3 . [all data]

David, Scanlan, et al., 2000
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Elmore, Mottram, et al., 2000
Elmore, J.S.; Mottram, D.S.; Hierro, E., Two-fibre solid-phase microextraction combined with gas chromatography-mass spectrometry for the analysis of volatile aroma compounds in cooked pork, J. Chromatogr. A, 2000, 905, 1-2, 233-240, https://doi.org/10.1016/S0021-9673(00)00990-0 . [all data]

Golovnya, Kuz'menko, et al., 2000
Golovnya, R.V.; Kuz'menko, T.e.; Samusenko, A.L., Method for prediction of the ability of analyte for self-association in pure liquid, Proceedings 23rd ISCC; CD-ROM, 2000, retrieved from http://www.richrom.com/assets/CD23PDF/a09.pdf. [all data]

Golovnya, Kuz'menko, et al., 2000, 2
Golovnya, R.V.; Kuz'menko, T.E.; Samusenko, A.L., Gas-chromatographic method of evaluation of n-alkanol ability for self-association in pure liquid, Russ. Chem. Bull. (Engl. Transl.), 2000, 49, 2, 317-320, https://doi.org/10.1007/BF02494680 . [all data]

Moio, Piombino, et al., 2000
Moio, L.; Piombino, P.; Addeo, F., Odour-impact compounds of Gorgonzola cheese, J. Dairy Res., 2000, 67, 2, 273-285, https://doi.org/10.1017/S0022029900004106 . [all data]

Wu, Wang, et al., 2000
Wu, C.-M.; Wang, Z.; Wu, Q.H., Volatile compounds produced from monosodium glutamate in common food cooking, J. Agric. Food Chem., 2000, 48, 6, 2438-2442, https://doi.org/10.1021/jf9907743 . [all data]

Chevance and Farmer, 1999
Chevance, F.F.V.; Farmer, L.J., Identification of major volatile odor compounds in frankfurters, J. Agric. Food Chem., 1999, 47, 12, 5151-5160, https://doi.org/10.1021/jf990515d . [all data]

Mandin, Duckham, et al., 1999
Mandin, O.; Duckham, S.C.; Ames, J.M., Volatile compounds from potato-like model systems, J. Agric. Food Chem., 1999, 47, 6, 2355-2359, https://doi.org/10.1021/jf981277+ . [all data]

Aaslyng, Elmore, et al., 1998
Aaslyng, M.D.; Elmore, J.S.; Mottram, D.S., Comparison of the aroma characteristics of acid-hydrolyzed and enzyme-hydrolyzed vegetable proteins produced from soy, J. Agric. Food Chem., 1998, 46, 12, 5225-5231, https://doi.org/10.1021/jf9806816 . [all data]

Moio and Addeo, 1998
Moio, L.; Addeo, F., Grana Padano cheese aroma, J. Dairy Res., 1998, 65, 2, 317-333, https://doi.org/10.1017/S0022029997002768 . [all data]

Moio L., Rillo L., et al., 1996
Moio L.; Rillo L.; Ledda A.; Addeo F., Odorous constituents of ovine milk in relationship to diet, J. Dairy Sci., 1996, 79, 8, 1322-1331, https://doi.org/10.3168/jds.S0022-0302(96)76488-3 . [all data]

Peng, 1992
Peng, C.T., A method for tentative identificatoin of unknown gas chromatographic peaks by retention index, J. Radioanal. Nucl. Chem., 1992, 160, 2, 449-460, https://doi.org/10.1007/BF02037120 . [all data]

Korhonen, 1984
Korhonen, I.O.O., Gas-Liquid Chromatographic Analyses. XXVI. Separation of Unsaturated Alcohols and Their Acetyl and Haloacetyl Derivatives on Capillary Columns Coated with SE-30 and OV-351, J. Chromatogr., 1984, 288, 329-346, https://doi.org/10.1016/S0021-9673(01)93710-0 . [all data]

Hendriks and Bruins, 1983
Hendriks, H.; Bruins, A.P., A tentative identification of components in the essential oil of Cannabis sativa L. by a combination of gas chromatography negative ion chemical ionization mass spectrometry and retention indices, Biomed. Mass Spectrom., 1983, 10, 6, 377-381, https://doi.org/10.1002/bms.1200100607 . [all data]

Nixon, Wong, et al., 1979
Nixon, L.N.; Wong, E.; Johnson, C.B.; Birch, E.J., Nonacidic constituents of volatiles from cooked mutton, J. Agric. Food Chem., 1979, 27, 2, 355-359, https://doi.org/10.1021/jf60222a044 . [all data]

Schreyen, Dirinck, et al., 1976
Schreyen, L.; Dirinck, P.; van Wassenhove, F.; Schamp, N., Analysis of leek volatiles by headspace condensation, J. Agric. Food Chem., 1976, 24, 6, 1147-1152, https://doi.org/10.1021/jf60208a023 . [all data]

Schreyen, Dirinck, et al., 1976, 2
Schreyen, L.; Dirinck, P.; van Wassenhove, F.; Schamp, N., Volatile flavor components of leek, J. Agric. Food Chem., 1976, 24, 2, 336-341, https://doi.org/10.1021/jf60204a056 . [all data]


Notes

Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, References