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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 SPB-5DB-5SPB-5CP-Sil 8CB-MS5 % Phenyl methyl siloxane
Column length (m) 60.60.60.0.30.
Carrier gas   HeHeHe
Substrate      
Column diameter (mm) 0.320.320.320.250.25
Phase thickness (μm) 1.1.1.0.251.
Tstart (C) 40.40.40.40.40.
Tend (C) 230.260.230.280.250.
Heat rate (K/min) 3.4.3.4.7.
Initial hold (min) 2.2.5.2.10.
Final hold (min) 10.10.5.5.5.
I 696.699.695.700.691.
ReferenceEngel and Ratel, 2007Methven L., Tsoukka M., et al., 2007Deport, Ratel, et al., 2006Elmore, Cooper, et al., 2005Estevez, Ventanas, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5MSHP-5HP-5CP-Sil 8CB-MSHP-5
Column length (m) 30.25.25.60.30.
Carrier gas HeHeHe  
Substrate      
Column diameter (mm) 0.250.20.20.250.25
Phase thickness (μm) 0.251.1.0.251.
Tstart (C) 60.40.40.40.-30.
Tend (C) 250.280.280.280.250.
Heat rate (K/min) 4.5.5.4.10.
Initial hold (min) 2.  2.1.
Final hold (min) 20.5.5.5. 
I 698.722.722.705.697.
ReferencePino, Mesa, et al., 2005Solina, Baumgartner, et al., 2005Solina, Baumgartner, et al., 2005Hierro, de la Hoz, et al., 2004Siegmund, Derler, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5DB-5BPX-5CP Sil 8 CBCP Sil 8 CB
Column length (m) 30.30.50.60.60.
Carrier gas  He HeHe
Substrate      
Column diameter (mm) 0.250.250.320.250.25
Phase thickness (μm) 0.11.0.50.250.25
Tstart (C) -30.50.60.40.40.
Tend (C) 250.200.250.250.250.
Heat rate (K/min) 10.2.54.4.4.
Initial hold (min) 1. 5.8.8.
Final hold (min) 5. 20.10.10.
I 697.690.9698.707.708.
ReferenceSiegmund and Murkovic, 2004Xu, van Stee, et al., 2003Bredie, Mottram, et al., 2002Duckham, Dodson, et al., 2002Duckham, Dodson, et al., 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP Sil 8 CBCP Sil 8 CBCP Sil 5 CBBPX-5CP-Sil 8CB-MS
Column length (m) 60.60.30.50.60.
Carrier gas HeHeH2He 
Substrate      
Column diameter (mm) 0.250.250.250.320.25
Phase thickness (μm) 0.250.250.250.50.25
Tstart (C) 40.40.60.60.40.
Tend (C) 280.250.280.250.280.
Heat rate (K/min) 4.4.2.4.4.
Initial hold (min) 2.8.10.5.2.
Final hold (min)  10.40.10. 
I 704.702.658.690.705.
ReferenceElmore, Campo, et al., 2002Oruna-Concha, Ames, et al., 2002Pino, Marbot, et al., 2002Ames, Guy, et al., 2001Bruna, Hierro, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SPB-1CP Sil 5 CBCP Sil 8 CBDB-1BPX-5
Column length (m) 30.50.60.60.50.
Carrier gas HeHeHeN2He
Substrate      
Column diameter (mm) 0.320.320.250.250.32
Phase thickness (μm) 4.0.40.251.0.50
Tstart (C) 45.60.40.30.40.
Tend (C) 240.280.280.200.280.
Heat rate (K/min) 5.3.4.5.4.
Initial hold (min) 13.10.2.  
Final hold (min) 5.60. 30. 
I 678.657.709.680.709.
ReferenceLarráyoz, Addis, et al., 2001Pino, Marbot, et al., 2001Elmore, Mottram, et al., 2000Wu, Wang, et al., 2000Aaslyng, Elmore, et al., 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-54DB-1DB-1DB-1DB-5
Column length (m) 25.25.25.30.60.
Carrier gas H2HeHe  
Substrate      
Column diameter (mm) 0.310.20.20.250.33
Phase thickness (μm)  0.110.111.0.25
Tstart (C) 35.50.50.-50.-50.
Tend (C) 250.250.250.180.180.
Heat rate (K/min) 4.5.5.6.6.
Initial hold (min) 3.    
Final hold (min)      
I 698.674.674.678.1696.
ReferenceLi, Wang, et al., 1998Warthen, Lee, et al., 1997Warthen, Lee, et al., 1997Helmig, Pollock, et al., 1996Helmig, Pollock, et al., 1996
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-30DB-5DB-5HP-101HP-1
Column length (m) 50.30.30.50.50.
Carrier gas  H2H2N2 
Substrate      
Column diameter (mm) 0.320.320.320.250.32
Phase thickness (μm) 0.251.1. 1.5
Tstart (C) 50.40.40.70.40.
Tend (C) 250.220.220.200.220.
Heat rate (K/min) 4.3.3.3.2.
Initial hold (min)      
Final hold (min)     30.
I 679.700.700.687.719.
ReferenceMisharina and Golovnya, 1996Moio L., Rillo L., et al., 1996Moio L., Rillo L., et al., 1996Chung, Eiserich, et al., 1993Zhang, Dorjpalam, et al., 1992
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillary
Active phase SPB-1SPB-1CP Sil 5 CBOV-1
Column length (m) 60.60.25.183.
Carrier gas HeHe N2
Substrate     
Column diameter (mm) 0.250.250.22 
Phase thickness (μm) 0.250.25  
Tstart (C) 35.35.70.0.
Tend (C) 235.235.205.230.
Heat rate (K/min) 2.2.4.1.
Initial hold (min) 10.10.  
Final hold (min) 40.40.  
I 692.692.675.675.
ReferenceHuang, Bruechert, et al., 1987Huang, Bruechert, et al., 1987Hendriks and Bruins, 1983Schreyen, Dirinck, et al., 1976
Comment MSDC-RI MSDC-RI 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.

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]

Deport, Ratel, et al., 2006
Deport, C.; Ratel, J.; Berdagué, J.-L.; Engel, E., Comprehensive combinatory standard correction: A calibration method for handling instrumental drifts of gas chromatography-mass spectrometry systems, J. Chromatogr. A, 2006, 1116, 1-2, 248-258, https://doi.org/10.1016/j.chroma.2006.03.092 . [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]

Estevez, Ventanas, et al., 2005
Estevez, M.; Ventanas, S.; Ramirez, R.; Cava, R., Influence of the Addition of Rosemary Essential Oil on the Volatiles Pattern of Porcine Frankfurters, J. Agric. Food Chem., 2005, 53, 21, 8317-8324, https://doi.org/10.1021/jf051025q . [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]

Solina, Baumgartner, et al., 2005
Solina, M.; Baumgartner, P.; Johnson, R.L.; Whitfield, F.B., Volatile aroma components of soy protein isolate and acid-hydrolysed vegetable protein, Food Chem., 2005, 90, 4, 861-873, https://doi.org/10.1016/j.foodchem.2004.06.005 . [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]

Siegmund, Derler, et al., 2004
Siegmund, B.; Derler, K.; Pfannhauser, W., Chemical and sensory effects of glass and laminated carton packages on fruit juice products. Still a controversial topic, Lebensm. Wiss. Technol., 2004, 37, 4, 481-488, https://doi.org/10.1016/j.lwt.2003.11.005 . [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]

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]

Duckham, Dodson, et al., 2002
Duckham, S.C.; Dodson, A.T.; Bakker, J.; Ames, J.M., Effect of cultivar and storage time on the volatile flavor components of baked potato, J. Agric. Food Chem., 2002, 50, 20, 5640-5648, https://doi.org/10.1021/jf011326+ . [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]

Oruna-Concha, Ames, et al., 2002
Oruna-Concha, M.J.; Ames, J.M.; Bakker, J., Comparison of the volatile components of eight cultivars of potato after microwave baking, Lebensm. Wiss. Technol., 2002, 35, 1, 80-86, https://doi.org/10.1006/fstl.2001.0819 . [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]

Ames, Guy, et al., 2001
Ames, J.M.; Guy, R.C.E.; Kipping, G.J., Effect of pH and temperature on the formation of volatile compounds in cysteine/reducing sugar/starch mixtures during extrusion cooking, J. Agric. Food Chem., 2001, 49, 4, 1885-1894, https://doi.org/10.1021/jf0012547 . [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]

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]

Pino, Marbot, et al., 2001
Pino, J.A.; Marbot, R.; Vázquez, C., Characterization of volatiles in strawberry guava (Psidium cattleianum Sabine) fruit, J. Agric. Food Chem., 2001, 49, 12, 5883-5887, https://doi.org/10.1021/jf010414r . [all data]

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]

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]

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]

Li, Wang, et al., 1998
Li, W.; Wang, H.; Sun, Y.; Huang, A.; Sun, Y., Capillary gas chromatographic analysis of volatile components in goat feces, Fenxi Huaxue, 1998, 26, 8, 935-939. [all data]

Warthen, Lee, et al., 1997
Warthen, J.D.; Lee, C.-J.; Jang, E.B.; Lance, D.R.; McInnis, D.O., Volatile, potential attractants from ripe coffee fruit for female Mediterranean fruit fly, J. Chem. Ecol., 1997, 23, 7, 1891-1900, https://doi.org/10.1023/B:JOEC.0000006458.02342.61 . [all data]

Helmig, Pollock, et al., 1996
Helmig, D.; Pollock, W.; Greenberg, J.; Zimmerman, P., Gas chromatography mass spectrometry analysis of volatile organic trace gases at Mauna Loa Observatory, Hawaii, J. Geophys. Res., 1996, 101, D9, 14697-14710, https://doi.org/10.1029/96JD00212 . [all data]

Misharina and Golovnya, 1996
Misharina, T.A.; Golovnya, R.V., Study of the composition of volatiles in raw and processed sardine by gas chromatography and gas chromatography-mass spectrometry, Zh. Anal. Khim., 1996, 51, 7, 791-795. [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]

Chung, Eiserich, et al., 1993
Chung, T.Y.; Eiserich, J.P.; Shibamoto, T., Volatile compounds isolated from edible Korean chamchwi (Aster scaber Thunb), J. Agric. Food Chem., 1993, 41, 10, 1693-1697, https://doi.org/10.1021/jf00034a033 . [all data]

Zhang, Dorjpalam, et al., 1992
Zhang, Y.; Dorjpalam, B.; Ho, C.-T., Contribution of peptides to volatile formation in the Maillard reaction of casein hydrolysate with glucose, J. Agric. Food Chem., 1992, 40, 12, 2467-2471, https://doi.org/10.1021/jf00024a026 . [all data]

Huang, Bruechert, et al., 1987
Huang, T.-C.; Bruechert, L.J.; Hartman, T.G.; Rosen, R.T.; Ho, C.-T., Effect of lipids and carbohydrates on thermal generation of volatiles from commercial zein, J. Agric. Food Chem., 1987, 35, 6, 985-990, https://doi.org/10.1021/jf00078a030 . [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]

Schreyen, Dirinck, et al., 1976
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