Thymol

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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 RTX-1HP-5MSHP-5BP-1CP-Sil PONA GB
Column length (m) 60.30.30.50.100.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.220.250.250.220.25
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 60.60.40.60.140.
Tend (C) 230.250.250.220.230.
Heat rate (K/min) 2.2.5.2.5.
Initial hold (min)  8.1. 10.
Final hold (min) 30.30.10.20.25.
I 1266.1292.1291.1266.1279.
ReferenceBendahou, Muselli, et al., 2008Benkaci-Ali, Baaliouamer, et al., 2007Benzo, Gilardoni, et al., 2007Boti, Koukoua, et al., 2007Cunicao, Lopes, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-5RTX-1RTX-1HP-5MS
Column length (m) 30.30.60.60.30.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.220.220.25
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 60.60.60.60.60.
Tend (C) 240.240.230.230.280.
Heat rate (K/min) 3.3.2.2.4.
Initial hold (min)     5.
Final hold (min)   35.35. 
I 1292.1291.1267.1267.1290.
ReferenceFlamini, Cioni, et al., 2007Maccioni, Baldini, et al., 2007Paolini J., Costa J., et al., 2007Paolini, Muselli, et al., 2007Saroglou, Arfan, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase ZB-5DB-1DB-5HP-5MSHP-5
Column length (m) 30.60.30.30.30.
Carrier gas HeN2HeHeN2
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 50.60.50.60.60.
Tend (C) 250.250.250.280.220.
Heat rate (K/min) 3.5.3.3.5.
Initial hold (min)     10.
Final hold (min)  10.10.  
I 1291.1270.1292.1286.1293.
ReferenceSimoniatto, Bonani, et al., 2007Sonboli, Azizian, et al., 2007Yu, Liao, et al., 2007Chorianopoulos N., Evergets E., et al., 2006Flamini, Tebano, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase BP-1DB-1DB-5HP-5MSSPB-1
Column length (m) 50.30.50.30.30.
Carrier gas HeN2N2HeHe
Substrate      
Column diameter (mm) 0.220.250.20.250.2
Phase thickness (μm) 0.250.250.320.250.2
Tstart (C) 60.50.60.60.70.
Tend (C) 220.220.220.280.220.
Heat rate (K/min) 2.4.5.3.3.
Initial hold (min)   3.  
Final hold (min) 20. 5. 15.
I 1266.1285.1290.1280.1268.
ReferenceGonny, Cavaleiro, et al., 2006Kuiate, Bessière, et al., 2006Masoudi, Esmaeili, et al., 2006Pavlovic, Kovacevic, et al., 2006Pinto, Pina-Vaz, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5MSDB-5HP-5HP-5DB-1
Column length (m) 30.30.30.30.30.
Carrier gas HeHeHeHeN2
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 60.50.40.60.50.
Tend (C) 280.250.300.250.200.
Heat rate (K/min) 4.5.4.10.5.
Initial hold (min) 5.2.5.2. 
Final hold (min)    10. 
I 1302.1290.1293.1285.1282.
ReferenceSaroglou, Dorizas, et al., 2006Su, Ho, et al., 2006Vundac, Pfeifhofer, et al., 2006Zhao J.Y., Liu J.M., et al., 2006Agnaniet, Makani, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase BP-1SE-54RTX-1DB-1MDN-5
Column length (m) 50.50.60.30.30.
Carrier gas HeH2  He
Substrate      
Column diameter (mm) 0.220.250.220.320.25
Phase thickness (μm) 0.250.270.250.250.25
Tstart (C) 60.50.60.50.50.
Tend (C) 220.300.220.250.250.
Heat rate (K/min) 2.5.2.2.3.
Initial hold (min)    8. 
Final hold (min) 20. 20.  
I 1264.1296.1267.1286.1286.
ReferenceBoti J.B., Koukoua G., et al., 2005Brantner, Pfeifhofer, et al., 2005Cozzani, Muselli, et al., 2005Dob, Dahmane, et al., 2005Dugo, Mondello, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1RTX-1HP-5MSHP-5MSMega 5MS
Column length (m) 30.60.30.60.30.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.220.250.20.25
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 40.60.60.60.40.
Tend (C) 250.230.250.200.240.
Heat rate (K/min) 3.2.4.2.3.
Initial hold (min)   2. 2.
Final hold (min) 20.35.20.10. 
I 1283.1267.1290.1299.1289.
ReferenceFanciullino, Gancel, et al., 2005Paolini, Costa, et al., 2005Pino, Mesa, et al., 2005Smadja, Rondeau, et al., 2005Verzera, Trozzi, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SPB-1HP-5HP-5MSHP-5HP-5
Column length (m) 30.30.30.30.30.
Carrier gas HeN2HeN2He
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.250.250.25 
Tstart (C) 70.60.60.60.60.
Tend (C) 220.220.280.220.260.
Heat rate (K/min) 3.5.3.5.3.
Initial hold (min)  10. 10. 
Final hold (min) 15.    
I 1267.1281.1286.1291.1296.
ReferenceAntunes, Sevinate-Pinto, et al., 2004Bertoli, Menichini, et al., 2004Chorianopoulos, Kalpoutzakis, et al., 2004Flamini, Luigi Cioni, et al., 2004Javidnia, Miri, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5Methyl SiliconeDB-5HP-5MSHP-5
Column length (m) 30.50.30.30.25.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.2
Phase thickness (μm) 0.25 0.250.250.33
Tstart (C) 60.50.60.50.60.
Tend (C) 260.240.275.250.240.
Heat rate (K/min) 3.3.4.3.3.
Initial hold (min)      
Final hold (min)     7.
I 1290.1290.1280.1294.1294.
ReferenceJavidnia, Miri, et al., 2004, 2Özcan and Chalchat, 2004Ramezani, Khaje-Karamoddin, et al., 2004Salido, Valenzuela, et al., 2004Sartoratto, Machado, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Optima 5DB-5HP-5HP-5DB-5
Column length (m) 25.25.30.30.30.
Carrier gas HeN2N2N2He
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 60.75.60.60.60.
Tend (C) 280.210.220.220.240.
Heat rate (K/min) 3.3.5.5.3.
Initial hold (min)  10.10.10. 
Final hold (min) 20.1.   
I 1289.1290.1291.1291.1292.
ReferenceVérité, Nacer, et al., 2004bin Ahmad and bin Jantan, 2003Angelini, Carpanese, et al., 2003Angelini, Carpanese, et al., 2003Bader, Flamini, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase OV-1HP-5HP-5DB-1DB-5
Column length (m) 25.30.30.30.30.
Carrier gas H2N2N2HeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.30.250.250.250.25
Tstart (C) 50.60.60.40.60.
Tend (C) 200.220.220.250.240.
Heat rate (K/min) 3.5.5.2.3.
Initial hold (min) 1.10.10.5. 
Final hold (min) 20.  20. 
I 1272.1292.1291.1269.1291.
ReferenceBicchi, Rubiolo, et al., 2003Dural, Bagci, et al., 2003Ertugrul, Dural, et al., 2003de Feo, Bruno, et al., 2003Flamini, Cioni, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-1DB-5HP-5HP-5
Column length (m) 30.30.25.30.30.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.25 0.250.25
Tstart (C) 60.40.60.60.60.
Tend (C) 240.250.260.280.240.
Heat rate (K/min) 3.3.4.4.3.
Initial hold (min)    5. 
Final hold (min)  20.   
I 1291.1280.1294.1290.1290.
ReferenceFlamini, Luigi Cioni, et al., 2003Gancel, Ollitrault, et al., 2003Javidnia, Miri, et al., 2003Karioti, Skaltsa, et al., 2003Macchioni, Cioni, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1HP-1HP-5HP-5MSHP-5MS
Column length (m) 30.30.30.30.30.
Carrier gas HeHeHeHe 
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.330.250.250.25
Tstart (C) 40.40.60.60.50.
Tend (C) 270.260.280.300.280.
Heat rate (K/min) 2.2.4.3.3.
Initial hold (min) 5.5.5. 5.
Final hold (min) 20.20.   
I 1253.1294.1290.1295.1290.
ReferenceSenatore, Lentini, et al., 2003Senatore, Rigano, et al., 2003Skaltsa, Demetzos, et al., 2003Couladis, Chinou, et al., 2002Demetzos, Angelopoulou, et al., 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5HP-5HP-5RTX-5 MSDB-5
Column length (m) 30.30.30.30.25.
Carrier gas  N2 HeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.250.250.25 
Tstart (C) 50.60.60.45.70.
Tend (C) 280.220.280.180.275.
Heat rate (K/min) 3.5.3.2.54.
Initial hold (min) 5.10.5.10. 
Final hold (min)      
I 1290.1292.1289.1292.1285.
ReferenceEconomakis, Skaltsa, et al., 2002Flamini, Cioni, et al., 2002Fokialakis, Magiatis, et al., 2002Hudaib, Speroni, et al., 2002Javidnia, Miri, et al., 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-5HP-5MSCP Sil 5 CBSPB-5
Column length (m) 30.25.30.25.30.
Carrier gas HeHe N2He
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.25 0.250.250.25
Tstart (C) 60.70.60.60.60.
Tend (C) 260.260.280.280.250.
Heat rate (K/min) 4.4.3.4.4.
Initial hold (min)   5.6.2.
Final hold (min)     20.
I 1290.1290.1290.1263.1290.
ReferenceJavidnia, Miri, et al., 2002, 2Miri, Ramezani, et al., 2002Papandreou, Magiatis, et al., 2002Pino, Marbot, et al., 2002Pino, Marbot, et al., 2002, 2
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP Sil 5 CBHP-5HP-5HP-5HP-5
Column length (m) 30.30.30.30.30.
Carrier gas H2HeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.250.250.250.50
Tstart (C) 60.60.60.60.60.
Tend (C) 280.280.280.380.280.
Heat rate (K/min) 2.3.3.3.3.
Initial hold (min) 10.5.5.  
Final hold (min) 40.    
I 1263.1292.1293.1290.1289.
ReferencePino, Marbot, et al., 2002, 3Aligiannis, Kalpoutzakis, et al., 2001Aligiannis, Kalpoutzakis, et al., 2001, 2Couladis, Tsortanidou, et al., 2001Couladis, Tzakou, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5MSHP-1HP-5RTX-5 MSDB-5
Column length (m) 30.60.50.30.30.
Carrier gas HeHeHeHeH2
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 60.50.50.70.60.
Tend (C) 280.250.250.210.240.
Heat rate (K/min) 3.2.52.54.3.
Initial hold (min) 5.5.5.10. 
Final hold (min)    10. 
I 1290.1272.1290.1297.1291.
ReferenceGiamakis, Kretsi, et al., 2001Guilliard, Delgado, et al., 2001Guilliard, Delgado, et al., 2001Hudaib, Grazia Bellardi, et al., 2001Nogueira, Bittrich, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5MSHP-5MSHP-5BP-1BP-1
Column length (m) 30.30.30.50.50.
Carrier gas HeHeHe He
Substrate      
Column diameter (mm) 0.250.250.200.220.22
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 50.60.60.60.60.
Tend (C) 250.280.180.220.230.
Heat rate (K/min) 3.4.4.2.2.
Initial hold (min)  5.8.  
Final hold (min)   2.20.35.
I 1294.1294.1290.1266.1266.
ReferenceSalido, Altarejos, et al., 2001Skaltsa, Mavrommati, et al., 2001Alonzo, Bosco, et al., 2000Baldovini, Ristorcelli, et al., 2000Lota, de Rocca Serra, et al., 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase BP-1HP-5DB-1DB-1Methyl Silicone
Column length (m) 50.30.60.30.50.
Carrier gas HeHe  N2
Substrate      
Column diameter (mm) 0.220.250.320.250.25
Phase thickness (μm) 0.250.251.0.250.17
Tstart (C) 60.70.-50.50.80.
Tend (C) 230.230.175.220.200.
Heat rate (K/min) 2.2.6.3.2.
Initial hold (min)   2.3. 
Final hold (min) 35.    
I 1266.1295.1279.71287.1285.
ReferenceLota, de Rocca Serra, et al., 2000Song, Sawamura, et al., 2000Helmig, Klinger, et al., 1999Muselli, Hoi, et al., 1999Sumathykutty, Rao, et al., 1999
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP Sil 5 CBOV-101OV-101CP Sil 5 CBDB-1
Column length (m) 25.25.25.25.60.
Carrier gas He  HeHe
Substrate      
Column diameter (mm) 0.250.20.20.220.32
Phase thickness (μm)    0.110.25
Tstart (C) 60.30.30.80.40.
Tend (C) 260.250.250.230.280.
Heat rate (K/min) 5.4.4.1.2.
Initial hold (min)    8.3.
Final hold (min)    16.10.
I 1273.1254.21265.41277.1310.
ReferenceWeyerstahl, Marschall, et al., 1999Ferchichi and Messadi, 1994Ferchichi and Messadi, 1994Chanegriha and Baaliouamer, 1993Adedeji, Hartman, et al., 1992
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryPacked
Active phase OV-101OV-101SE-30
Column length (m) 50.50.3.05
Carrier gas N2N2He
Substrate   Supelcoport and Chromosorb
Column diameter (mm) 0.250.25 
Phase thickness (μm)    
Tstart (C) 80.80.40.
Tend (C) 200.200.250.
Heat rate (K/min) 2.2.10.
Initial hold (min)   4.
Final hold (min)   60.
I 1267.1268.1265.
ReferenceYang, Sugisawa, et al., 1992Yang, Sugisawa, et al., 1992Peng, Ding, et al., 1988
Comment 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.

Bendahou, Muselli, et al., 2008
Bendahou, M.; Muselli, A.; Grignon-Dubois, M.; Benyoucef, M.; Desjobert, J.-M.; Bernardini, A.-F.; Costa, J., Antimicrobial activity and chemical composition of Origanum glandulosum Desf. essential oil and extract obtained by microwave extraction: Comparison with hydrodistillation, Food Chem., 2008, 106, 1, 132-139, https://doi.org/10.1016/j.foodchem.2007.05.050 . [all data]

Benkaci-Ali, Baaliouamer, et al., 2007
Benkaci-Ali, F.; Baaliouamer, A.; Meklati, B.Y.; Chemat, F., Chemical composition of seed essential oils from Algerian Nigella sativa extracted by microwave and hydrodistillation, Flavour Fragr. J., 2007, 22, 2, 148-153, https://doi.org/10.1002/ffj.1773 . [all data]

Benzo, Gilardoni, et al., 2007
Benzo, M.; Gilardoni, G.; Gandini, C.; Caccialanza, G.; Finzi, P.V.; Vidari, G.; Abdo, S.; Layedra, P., Determination of the threshold odor concentration of main odorants in essential oils using gas chromatography-olfactometry incremental dilution technique, J. Chromatogr. A, 2007, 1150, 1-2, 131-135, https://doi.org/10.1016/j.chroma.2007.02.031 . [all data]

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Boti, J.B.; Koukoua, G.; N'Guessan, T.Y.; Casanova, J., Chemical variability of Conyza sumatrensis and Microglossa pyrifolia from Côte d'Ivoire, Flavour Fragr. J., 2007, 22, 1, 27-31, https://doi.org/10.1002/ffj.1743 . [all data]

Cunicao, Lopes, et al., 2007
Cunicao, M.M.; Lopes, A.R.; Côcco, L.C.; Yamamoto, C.I.; Plocharski, R.C.B.; Miguel, M.D.; Junior, A.G.; Auer, C.G.; Miguel, O.G., Phytochemical and antibacterial evaluation of essential oils from Ottonia Martiana Miq. (Piperaceae), J. Braz. Chem. Soc., 2007, 18, 1, 184-188, https://doi.org/10.1590/S0103-50532007000100021 . [all data]

Flamini, Cioni, et al., 2007
Flamini, G.; Cioni, P.L.; Morelli, I.; Bader, A., Essential oils of the aerial parts of three Salvia species from Jordan: Salvia lanigera, S. spinosa and S. syriaca, Food Chem., 2007, 100, 2, 732-735, https://doi.org/10.1016/j.foodchem.2005.10.032 . [all data]

Maccioni, Baldini, et al., 2007
Maccioni, S.; Baldini, R.; Luigi Cioni, P.; Tebano, M.; Flamini, G., In vivo volatiles emission and essential oils from different organs and pollen of Cistus albidus from Caprione (Eastern Liguria, Italy), Flavour Fragr. J., 2007, 22, 1, 61-65, https://doi.org/10.1002/ffj.1759 . [all data]

Paolini J., Costa J., et al., 2007
Paolini J.; Costa J.; Bernardini A.F., Analysis of the essential oil from the roots of Eupatorium cannabinum subsp corsicum (L.) by GC, GC-MS and C-13-NMR, Phytochem. Anal., 2007, 18, 3, 235-244, https://doi.org/10.1002/pca.977 . [all data]

Paolini, Muselli, et al., 2007
Paolini, J.; Muselli, A.; Bernardini, A.-F.; Bighelli, A.; Casanova, J.; Costa, J., Thymol derivatives from essential oil of Doronicum corsicum L., Flavour Fragr. J., 2007, 22, 6, 479-487, https://doi.org/10.1002/ffj.1824 . [all data]

Saroglou, Arfan, et al., 2007
Saroglou, V.; Arfan, M.; Shabir, A.; Hadjipavlou-Litina, D.; Skaltsa, H., Composition and antioxidant activity of the essential oil of Teucrium royleanum Wall. ex Benth growing in Pakistan, Flavour Fragr. J., 2007, 22, 2, 154-157, https://doi.org/10.1002/ffj.1774 . [all data]

Simoniatto, Bonani, et al., 2007
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Sonboli, Azizian, et al., 2007
Sonboli, A.; Azizian, D.; Yousefzadi, M.; Kanani, M.R.; Mehrabian, A.R., Volatile constituents and antimicrobial activity of the essential oil of Tetrataenium lasiopetalum (Apiaceae) from Iran, Flavour Fragr. J., 2007, 22, 2, 119-122, https://doi.org/10.1002/ffj.1767 . [all data]

Yu, Liao, et al., 2007
Yu, J.Q.; Liao, Z.X.; Cai, X.Q.; Lei, J.C.; Zou, G.L., Composition, antimicrobial activity and cytotoxicity of essential oils from Aristolochia mollissima, Environmental Toxicology and Pharmacology, 2007, 23, 2, 162-167, https://doi.org/10.1016/j.etap.2006.08.004 . [all data]

Chorianopoulos N., Evergets E., et al., 2006
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Flamini, Tebano, et al., 2006
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Notes

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