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Acetophenone

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Van Den Dool and Kratz RI, non-polar column, temperature ramp

Go To: Top, References, Notes

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-5DB-5SPB-5HP-5
Column length (m) 60.60.30.60.30.
Carrier gas   HeHeN2
Substrate      
Column diameter (mm) 0.320.320.250.320.25
Phase thickness (mum) 1.1.0.251.0.25
Tstart (C) 40.40.60.40.60.
Tend (C) 230.260.240.230.220.
Heat rate (K/min) 3.4.3.3.5.
Initial hold (min) 2.2. 5.10.
Final hold (min) 10.10. 5. 
I 1076.1076.1065.1075.1067.
ReferenceEngel and Ratel, 2007Methven L., Tsoukka M., et al., 2007Telascrea, de Araujo, et al., 2007Deport, Ratel, et al., 2006Flamini, Tebano, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5HP-5MSHP-1DB-1DB-5MS
Column length (m) 30.20.25.25.60.
Carrier gas He He H2
Substrate      
Column diameter (mm) 0.250.250.20.20.25
Phase thickness (mum) 0.250.250.330.330.25
Tstart (C) 60.60.60.50.30.
Tend (C) 260.240.300.300.250.
Heat rate (K/min) 3.5.5.4.2.
Initial hold (min)  4.3. 2.
Final hold (min)  15.30. 2.
I 1066.1069.1049.1052.1062.
ReferenceJavidnia K., Miri R., et al., 2006Kallio, Jussila, et al., 2006Nath, Baruah, et al., 2006Osorio, Alarcon, et al., 2006Schwambach and Peterson, 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5MSCP Sil 5 CBDB-1HP-5MSHP-5
Column length (m) 60.25.30.30.25.
Carrier gas H2He HeHe
Substrate      
Column diameter (mm) 0.250.250.320.250.2
Phase thickness (mum) 0.250.40.250.251.
Tstart (C) 30.80.50.60.40.
Tend (C) 250.270.250.250.280.
Heat rate (K/min) 2.10.2.4.5.
Initial hold (min) 2. 8.2. 
Final hold (min) 2.  20.5.
I 1063.1036.1042.1066.1063.
ReferenceSchwambach and Peterson, 2006Ziegenbein, Hanssen, et al., 2006Dob, Dahmane, et al., 2005Pino, Mesa, et al., 2005Solina, Baumgartner, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5BPX-5HP-5SPB-5SPB-5
Column length (m) 25.25.30.30.30.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.20.220.250.250.25
Phase thickness (mum) 1.0.250.250.250.25
Tstart (C) 40.50.50.60.60.
Tend (C) 280.300.290.250.250.
Heat rate (K/min) 5.5.4.4.4.
Initial hold (min)  5. 2.2.
Final hold (min) 5.  20.20.
I 1053.1080.1073.1065.1062.
ReferenceSolina, Baumgartner, et al., 2005Dickschat, Wenzel, et al., 2004Flach A., Dondon R.C., et al., 2004Pino, Marbot, et al., 2004Pino, Marbot, et al., 2004, 2
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5SPB-5DB-1DB-5HP-5MS
Column length (m) 25.30.30.30.30.
Carrier gas N2HeHeHe 
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (mum) 0.250.250.251.0.25
Tstart (C) 75.60.40.50.50.
Tend (C) 210.250.325.200.280.
Heat rate (K/min) 3.4.3.2.53.
Initial hold (min) 10.2.  5.
Final hold (min) 1.20.   
I 1062.1065.1025.21071.61065.
Referencebin Ahmad and bin Jantan, 2003Pino, Marbot, et al., 2003Sun and Stremple, 2003Xu, van Stee, et al., 2003Demetzos, Angelopoulou, et al., 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP Sil 8 CBSPB-5CP Sil 5 CBDB-1SPB-Sulfur
Column length (m) 60.30.50.60.30.
Carrier gas HeHeHeHe 
Substrate      
Column diameter (mm) 0.250.250.320.320.32
Phase thickness (mum) 0.250.250.41.4.
Tstart (C) 40.60.60.40.40.
Tend (C) 250.250.280.220.200.
Heat rate (K/min) 4.4.3.2.4.
Initial hold (min) 8.2.10.5.12.5
Final hold (min) 10.20.60.  
I 1071.1065.1030.1035.1043.1
ReferenceOruna-Concha, Ames, et al., 2002Pino, Marbot, et al., 2002Pino, Marbot, et al., 2002, 2Kim, 2001de Lacy Costello, Evans, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP Sil 5 CBSE-54SE-54HP-5HP-5
Column length (m) 50.25.25.50.30.
Carrier gas He  HeHe
Substrate      
Column diameter (mm) 0.320.310.310.320.25
Phase thickness (mum) 0.4  1.050.25
Tstart (C) 60.35.35.50.40.
Tend (C) 280.230.230.290.200.
Heat rate (K/min) 3.4.4.2.2.
Initial hold (min) 10.3.3. 5.
Final hold (min) 60.10.10. 20.
I 1031.1060.371065.801072.1062.
ReferencePino and Marbot, 2001Yin, Xiu, et al., 2001Yin, Xiu, et al., 2001David, Scanlan, et al., 2000Kim, Thuy, et al., 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP Sil 8 CBDB-1OV-1BPX-5SE-54
Column length (m) 25.60.20.50.25.
Carrier gas   HeHeH2
Substrate      
Column diameter (mm) 0.20.320.320.320.31
Phase thickness (mum) 0.251.0.30.50 
Tstart (C) 40.-50.45.40.35.
Tend (C) 200.175.220.280.250.
Heat rate (K/min) 2.6.10.4.4.
Initial hold (min) 8.2.5. 3.
Final hold (min)   10.  
I 1030.1043.91044.1093.1060.
ReferenceYassaa, Meklati, et al., 2000Helmig, Klinger, et al., 1999Valero, Sanz, et al., 1999Aaslyng, Elmore, et al., 1998Li, Wang, et al., 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-54Methyl SiliconeBP-1DB-1DB-5
Column length (m) 25. 50.30.60.
Carrier gas H2 He  
Substrate      
Column diameter (mm) 0.31 0.220.250.33
Phase thickness (mum)   0.251.0.25
Tstart (C) 35.50.60.-50.-50.
Tend (C) 250.250.230.180.180.
Heat rate (K/min) 4.4.2.6.6.
Initial hold (min) 3.    
Final hold (min)   35.  
I 1061.1037.1031.1033.1068.4
ReferenceLi, Wang, et al., 1998Analytical Methods Committee, 1997Mariotti, Tomi, 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 DB-5SE-30SE-54SE-54DB-5
Column length (m) 30.22.25.25.0.32
Carrier gas HeN2HeHeH2
Substrate      
Column diameter (mm) 0.250.300.320.321.
Phase thickness (mum)  1.00.150.15 
Tstart (C) 50.60.40.40.30.
Tend (C) 250.250.280.280.180.
Heat rate (K/min) 4.2.5.5.1.5
Initial hold (min)   1.1.5.
Final hold (min)   15.15. 
I 1065.1058.1055.11055.11071.
ReferenceGómez, Ledbetter, et al., 1993de Frutos, Sanz, et al., 1991Shapi and Hesso, 1990Shapi and Hesso, 1990Guichard and Souty, 1988
Comment MSDC-RI 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]

Telascrea, de Araujo, et al., 2007
Telascrea, M.; de Araujo, C.C.; Marques, M.O.M.; Facanali, R.; de Moraes, P.L.R.; Cavalheiro, A.J., Essential oil from leaves of Cryptocarya mandioccana Meisner (Lauraceae): Composition and intraspecific chemical variability, Biochem. Syst. Ecol., 2007, 35, 4, 222-232, https://doi.org/10.1016/j.bse.2006.09.015 . [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]

Flamini, Tebano, et al., 2006
Flamini, G.; Tebano, M.; Cioni, P.L.; Bagci, Y.; Dural, H.; Ertugrul, K.; Uysal, T.; Savran, A., A multivariate statistical approach to Centaurea classification using essential oil composition data of some species from Turkey, Pl. Syst. Evol., 2006, 261, 1-4, 217-228, https://doi.org/10.1007/s00606-006-0448-3 . [all data]

Javidnia K., Miri R., et al., 2006
Javidnia K.; Miri R.; Javidnia A., Constituents of the essential oil of Scabiosa flavida from Iran, Chem. Nat. Compd. (Engl. Transl.), 2006, 42, 5, 529-530, https://doi.org/10.1007/s10600-006-0206-3 . [all data]

Kallio, Jussila, et al., 2006
Kallio, M.; Jussila, M.; Rissanen, T.; Anttila, P.; Hartonen, K.; Reissell, A.; Vreuls, R.; Adahchour, M.; Hyotylainen, T., Comprehensive two-dimensional gas chromatography coupled to time-of-flight mass spectrometry in the identification of organic compounds in atmospheric aerosols from coniferous forest, J. Chromatogr. A, 2006, 1125, 2, 234-243, https://doi.org/10.1016/j.chroma.2006.05.050 . [all data]

Nath, Baruah, et al., 2006
Nath, S.C.; Baruah, A.; Kanjilal, P.B., Chemical composition of the leaf essential oil of Cinnamomum pauciflorum Nees, Flavour Fragr. J., 2006, 21, 3, 531-533, https://doi.org/10.1002/ffj.1688 . [all data]

Osorio, Alarcon, et al., 2006
Osorio, C.; Alarcon, M.; Moreno, C.; Bonilla, A.; Barrios, J.; Garzon, C.; Duque, C., Characterization of Odor-Active Volatiles in Champa ( Campomanesia lineatifolia R. P.), J. Agric. Food Chem., 2006, 54, 2, 509-516, https://doi.org/10.1021/jf052098c . [all data]

Schwambach and Peterson, 2006
Schwambach, S.L.; Peterson, D.G., Reduction of Stale Flavor Development in Low-Heat Skim Milk Powder via Epicatechin Addition, J. Agric. Food Chem., 2006, 54, 2, 502-508, https://doi.org/10.1021/jf0519764 . [all data]

Ziegenbein, Hanssen, et al., 2006
Ziegenbein, F.C.; Hanssen, H.-P.; König, W.A., Chemical constituents of the essential oils of three wood-rotting fungi, Flavour Fragr. J., 2006, 21, 5, 813-816, https://doi.org/10.1002/ffj.1732 . [all data]

Dob, Dahmane, et al., 2005
Dob, T.; Dahmane, D.; Berramdane, T.; Chelghoum, C., Chemical composition of the essential oil of Artemisia campestris L. from Algeria, Pharm. Biol., 2005, 43, 6, 512-514, https://doi.org/10.1080/13880200500220664 . [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]

Dickschat, Wenzel, et al., 2004
Dickschat, J.S.; Wenzel, S.C.; Bode, H.B.; Muller, R.; Schulz, S., Biosynthesis of Volatiles by the Myxobacterium Myxococcus xanthus, ChemBioChem, 2004, 5, 6, 778-787, https://doi.org/10.1002/cbic.200300813 . [all data]

Flach A., Dondon R.C., et al., 2004
Flach A.; Dondon R.C.; Singer R.B.; Koehler S.; Amaral M.D.E.; Marsaioli A.J., The chemistry of pollination in selected Brazilian maxillariinae orchids: Floral rewards and fragrance, J. Chem. Ecol., 2004, 30, 5, 1045-1056, https://doi.org/10.1023/B:JOEC.0000028466.50392.ed . [all data]

Pino, Marbot, et al., 2004
Pino, J.A.; Marbot, R.; Vazquez, C., Volatile components of tamarind (Tamarindus indica L.) grown in Cuba, J. Essent. Oil Res., 2004, 16, 4, 318-320, https://doi.org/10.1080/10412905.2004.9698731 . [all data]

Pino, Marbot, et al., 2004, 2
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]

bin Ahmad and bin Jantan, 2003
bin Ahmad, F.; bin Jantan, I., Chemical constituents of the essential oils of Goniothalamus uvariodes King, Flavour Fragr. J., 2003, 18, 2, 128-130, https://doi.org/10.1002/ffj.1142 . [all data]

Pino, Marbot, et al., 2003
Pino, J.; Marbot, R.; Rosado, A.; Vázquez, C., Volatile constituents of fruits of Garcinia dulcis Kurz. from Cuba, Flavour Fragr. J., 2003, 18, 4, 271-274, https://doi.org/10.1002/ffj.1187 . [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]

Demetzos, Angelopoulou, et al., 2002
Demetzos, C.; Angelopoulou, D.; Perdetzoglou, D., A comparative study of the essential oils of Cistus salviifolius in several populations of Crete (Greece), Biochem. Syst. Ecol., 2002, 30, 7, 651-665, https://doi.org/10.1016/S0305-1978(01)00145-4 . [all data]

Oruna-Concha, Ames, et al., 2002
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Pino, Marbot, et al., 2002
Pino, J.; Marbot, R.; Rosado, A., Volatile constituents of star apple (Chrysophyllum cainito L.) from Cuba, Flavour Fragr. J., 2002, 17, 5, 401-403, https://doi.org/10.1002/ffj.1116 . [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]

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]

Pino and Marbot, 2001
Pino, J.A.; Marbot, R., Volatile flavor constituents of acerola (Malpighia emarginata DC.) fruit, J. Agric. Food Chem., 2001, 49, 12, 5880-5882, https://doi.org/10.1021/jf010270g . [all data]

Yin, Xiu, et al., 2001
Yin, W.; Xiu, Z.; Aijin, H., Analysis of the volatile components in trogopterorum feces by capillary gas chromatography and gas chromatography/mass spectrometry, Fenxi Huaxue, 2001, 29, 2, 195-198. [all data]

David, Scanlan, et al., 2000
David, F.; Scanlan, F.; Sandra, P., Retention time locking in flavor analysis, Proceedings 23rd ISCC; CD-ROM, 2000, retrieved from http://www.richrom.com/assets/CD23PDF. [all data]

Kim, Thuy, et al., 2000
Kim, T.H.; Thuy, N.T.; Shin, J.H.; Baek, H.H.; Lee, H.J., Aroma-active compounds of miniature beefsteakplant (Mosla dianthera Maxim.), J. Agric. Food Chem., 2000, 48, 7, 2877-2881, https://doi.org/10.1021/jf000219x . [all data]

Yassaa, Meklati, et al., 2000
Yassaa, N.; Meklati, B.Y.; Cecinato, A., Evaluation of monoterpenic biogenic volatile organic compounds in ambient air around Eucalyptus globulus, Pinus halepensis and Cedrus atlantica trees growing in Algiers city area by chiral and achiral capillary gas chromatography, Atmos. Environ., 2000, 34, 17, 2809-2816, https://doi.org/10.1016/S1352-2310(99)00436-7 . [all data]

Helmig, Klinger, et al., 1999
Helmig, D.; Klinger, L.F.; Guenther, A.; Vierling, L.; Geron, C.; Zimmerman, P., Biogenic volatile organic compound emissions (BVOCs). I. Identifications from three continental sites in the U.S., Chemosphere, 1999, 38, 9, 2163-2187, https://doi.org/10.1016/S0045-6535(98)00425-1 . [all data]

Valero, Sanz, et al., 1999
Valero, E.; Sanz, J.; Martinez-Castro, I., Volatile components in microwave- and conventionally-heated milk, Food Chem., 1999, 66, 3, 333-338, https://doi.org/10.1016/S0308-8146(99)00069-2 . [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]

Analytical Methods Committee, 1997
Analytical Methods Committee, The Royal Society of Chemistry, Application of gas-liquid chromatography to the analysis of essential oils. Part XVII. Fingerprinting of essential oils by temperature-programmed gas-liquid chromatography using capillary columns with non-polar stationary phases, Analyst, 1997, 122, 10, 1167-1174, https://doi.org/10.1039/a704651k . [all data]

Mariotti, Tomi, et al., 1997
Mariotti, J.P.; Tomi, F.; Casanova, J.; Costa, J.; Bernardini, A.F., Composition of the essential oil of Cistus Iadaniferus L. cultivated in corsica (France), Flavour Fragr. J., 1997, 12, 3, 147-151, https://doi.org/10.1002/(SICI)1099-1026(199705)12:3<147::AID-FFJ631>3.0.CO;2-Q . [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]

Gómez, Ledbetter, et al., 1993
Gómez, E.; Ledbetter, C.A.; Hartsell, P.L., Volatile compounds in apricot, plum, and their interspecific hybrids, J. Agric. Food Chem., 1993, 41, 10, 1669-1676, https://doi.org/10.1021/jf00034a029 . [all data]

de Frutos, Sanz, et al., 1991
de Frutos, M.; Sanz, J.; Martinez-Castro, I., Characterization of artisanal cheeses by GC and GC/MS analysis of their medium volatility (SDE) fraction, J. Agric. Food Chem., 1991, 39, 3, 524-530, https://doi.org/10.1021/jf00003a019 . [all data]

Shapi and Hesso, 1990
Shapi, M.M.; Hesso, A., Thermal decomposition of polystyrene volatile compounds from large-scale pyrolysis, J. Anal. Appl. Pyrolysis, 1990, 18, 2, 143-161, https://doi.org/10.1016/0165-2370(90)80004-8 . [all data]

Guichard and Souty, 1988
Guichard, E.; Souty, M., Comparison of the relative quantities of aroma compounds found in fresh apricot (Prunus armeniaca) from six different varieties, Z. Lebensm. Unters. Forsch., 1988, 186, 4, 301-307, https://doi.org/10.1007/BF01027031 . [all data]


Notes

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