Bicyclo[3.1.1]heptan-3-ol, 6,6-dimethyl-2-methylene-, [1S-(1α,3α,5α)]-

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Normal alkane RI, non-polar column, custom temperature program

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 DB-1RTX-1RTX-1SLB-5 MSSLB-5 MS
Column length (m) 30.60.60.30.30.
Carrier gas HydrogenHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.250.220.220.250.25
Phase thickness (μm) 0.250.250.250.250.25
Program 45 0C 3 0C/min -> 175 0C 15 0C/min -> 300 0C (10 min)not specifiednot specifiednot specifiednot specified
I 1106.1120.1120.1141.1150.
ReferenceAlbano, Lima, et al., 2012Bendiabdellah, El Amine Dib, et al., 2012Bendiabdellah, El Amine Dib, et al., 2012Mondello, 2012Mondello, 2012
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Polydimethyl siloxane with 5 % Ph groups5 % Phenyl polydimethyl siloxaneHP-5DB-5HP-5
Column length (m) 30. 30.30.25.
Carrier gas Helium HeliumHeliumHelium
Substrate      
Column diameter (mm) 0.25 0.250.250.32
Phase thickness (μm) 0.25 0.250.250.17
Program 50 0C 4 0C/min -> 200 0C (5 min) 20 0C/min -> 280 0Cnot specified60 0C (1 min) 10 0C/min -> 180 0C (1 min) 20 0C/min -> 280 0C (15 min)50 0C m6 0C/min -> 140 0C 5 0C/min -> 160 0C (1 min) 10 0C/min -> 200 0C60 0C (5 min) 4 0C/min -> 220 0C 11 0C/min -> 280 0C (15 min)
I 1139.1138.1138.1149.1139.
Referenceda Silva, de Souza, et al., 2012Chaverri, Diaz, et al., 2011Wang, Liu, et al., 2011Courtois, Paine, et al., 2009Custer, 2009
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5HP-5 MSDB-1DB-5DB-5
Column length (m) 25.30.30.30.30.
Carrier gas HeliumHeliumHydrogenHeliumHelium
Substrate      
Column diameter (mm) 0.320.250.250.250.25
Phase thickness (μm) 0.170.250.250.250.25
Program not specified40 0C (5 min) 2 0C/min -> 270 0C -> 260 0C (20 min)45 0C 3 0C/min -> 175 0C 15 0C/min -> 300 0C (10 min)not specifiednot specified
I 1139.1137.1106.1146.1169.
ReferenceCuster, 2009Mancini, Arnold, et al., 2009Mendes, Trindade, et al., 2009Porto, Decorti, et al., 2009Porto, Decorti, et al., 2009
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SLB-5 MSSLB-5 MSSPB-5SPB-5SLB-5 MS
Column length (m) 30.30.  30.
Carrier gas HeliumHelium  Helium
Substrate      
Column diameter (mm) 0.250.25  0.25
Phase thickness (μm) 0.250.25  0.25
Program 50 0C 3 0C/min -> 250 0C (1 min) 10 0C/min -> 300 0C (5 min)not specifiednot specifiednot specifiednot specified
I 1141.1135.1137.1150.1141.
ReferenceCosta, De Fina, et al., 2008Costa, De Fina, et al., 2008Kilani, Ledauphin, et al., 2008Kilani, Ledauphin, et al., 2008Lo Presti, Sciarrone, et al., 2008
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1HP-5BP-5HP-1DB-5
Column length (m) 30.30.30.30.50.
Carrier gas He HeHeHelium
Substrate      
Column diameter (mm) 0.250.250.320.20.32
Phase thickness (μm) 0.250.250.250.330.25
Program 45C => 3C/min => 175C => 15C/min => 300C (10min)75C(4min) => 5C/min => 135C => 1C/min => 220C => 10C/min => 280C60C => 4C/min => 150C => 10C/min => 220C60C(5min) => 3C/min => 180C => 20C/min => 280C(10min)60 0C (1 min) 5 0C/min -> 160 0C 10 0C/min -> 250 0C
I 1106.1130.1137.1141.1139.
ReferenceNogueira, Marcelo-Curto, et al., 2008Duschatzky, Almeida, et al., 2007Hashemi, Abolghasemi, et al., 2007Merle, Verdeguer, et al., 2007Nivinsliene, Butkiene, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5HP-5BPX-5DB-1HP-5
Column length (m) 30.30.30.30.30.
Carrier gas HydrogenHeliumHeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.250.250.250.25
Program 35 0C (2 min) 4 0C/min -> 180 0C 20 0C -> 280 0Cnot specified50C => 3C/min => 150C(10min) => 10C/min => 250C45C => 3C/min => 175C => 15C/min => 300C (10min)60C(4min) => 1C/min => 64C => 2.5C/min => 155C => 5C/min => 250C
I 1136.1139.1145.1106.1186.
ReferencePontes, de Oliveira, et al., 2007Ristic, Krivokuca-Dokic, et al., 2007Salamci, Kordali, et al., 2007Figueiredo A.C., Barroso J.G., et al., 2006Jordan, Martinez, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-52HP-5HP-5 MSHP-5 MSHP-5MS
Column length (m) 25.30.30.30.30.
Carrier gas H2 HeliumHeliumHe
Substrate      
Column diameter (mm) 0.320.250.250.250.32
Phase thickness (μm) 0.420.250.250.250.25
Program 60C(8min) => 3C/min => 180C => 20C/min => 250C (10min)not specified40 0C (10 min) 3 0C/min -> 200 0C 2 0C/min -> 220 0C40 0C (10 min) 3 0C/min -> 200 0C 2 0C/min -> 220 0C60C(1min) => 1.5C => 185C => 9C/min => 275C (2min)
I 1132.1186.1138.1137.1140.
ReferenceLorenzo, Loayza, et al., 2006Martinez, Madrid, et al., 2006Schmidt, Noletto, et al., 2006Schmidt, Noletto, et al., 2006Singh G., Maurya S., et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-52DB-5MSCP Sil 8 CBDB-5BPX-5
Column length (m) 30.30.50.30.30.
Carrier gas He HeHe 
Substrate      
Column diameter (mm) 0.320.250.320.250.25
Phase thickness (μm) 0.150.250.250.250.25
Program 45C => 1C/min => 100C => 5C/min => 250C (10min)70C(2min) => 10C/min => 150C(15min) => 5C/min => 240C50C(5min) => 2C/min => 90C => 15C/min => 240C(4min)40C(1min) => 9C/min => 130C => 2C/min => 230C60C(0.2min) => 3K/min => 186C => 10C/min => 240C (5min)
I 1139.1136.1139.1129.1139.
ReferenceTognolini, Barocelli, et al., 2006Bagci and Baser, 2005Butkienë, Nivinskienë, et al., 2005Hamm, Bleton, et al., 2005Judzentiene and Mockute, 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase BPX-5CP Sil 8 CB OV-1DB-5
Column length (m) 30.50. 15.30.
Carrier gas HeHe HeHe
Substrate      
Column diameter (mm) 0.320.32 0.3170.25
Phase thickness (μm) 0.50.25  0.25
Program 60C(1min) => 3.5C/min => 180C => 20C/min => 280C(2min)50C(5min) => 2C/min => 90C => 15C/min => 240C(4min)not specified50C(4min) => 4C/min => 90C => 10C/min => 300C(10min)40C(1min) => 9C/min => 130C => 2C/min => 230C
I 1139.1139.1120.1120.1129.
ReferenceKoutsoudaki, Krsek, et al., 2005Butkienë, Nivinskienë, et al., 2004El-Shazily, Hafez, et al., 2004El-Shazly and Hussein, 2004Hamm, Bleton, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP Sil 8 CBDB-1HP-5HP-5DB-5
Column length (m) 50.30.30.30. 
Carrier gas HeHe He 
Substrate      
Column diameter (mm) 0.320.250.250.25 
Phase thickness (μm)  0.250.250.25 
Program 60C(2min) => 5C/min => 160C (1min) => 10C/min => 250C (2min)45C => 3C/min => 175C => 15C/min => 300C (10min)40C(5min) => 2C/min => 250C(15min) => 10C/min => 270C60C(4min) => 1C/min => 64C => 2.5C/min => 155C => 5C/min => 250Cnot specified
I 1139.1106.1137.1186.1139.
ReferenceJudpentienë and Mockutë, 2004Miguel, Simões, et al., 2004Senatore, Apostolides Arnold, et al., 2004Sotomayor, Martínez, et al., 2004Vilaseca, Guy, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-30DB-5CP Sil 8 CBDB-1DB-1
Column length (m)  30.50.30.30.
Carrier gas  HeHe He
Substrate      
Column diameter (mm)  0.250.320.250.25
Phase thickness (μm)  0.250.250.250.25
Program not specified40C (1min) => 9C/min => 130C => 2C/min => 230C70C(5min) => 3C/min => 100C (1min) => 25C/min => 250C (10min)45 0C 3 K/min -> 175 0C 15 K/min -> 300 0C (10 min)45C => 3C/min => 175C => 15C/min => 240C (10min)
I 1134.1129.1139.1106.1106.
ReferenceVinogradov, 2004Hamm, Lesellier, et al., 2003Mockute and Judzentiene, 2003Figueiredo, Miguel, et al., 2001Baratta, Dorman, et al., 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP Sil 5 CBCP Sil 5 CBDB-1SPB-SulfurCP Sil 5 CB
Column length (m) 25.25.30.30.30.
Carrier gas HeN2HeHeN2
Substrate      
Column diameter (mm)   0.250.320.25
Phase thickness (μm) 0.390.390.254. 
Program not specifiednot specified45C => 3C/min => 175C => 15C/min => 280Cnot specifiednot specified
I 1128.1128.1106.1124.1128.
ReferenceWeyerstahl, Marschall, et al., 1998Weyerstahl, Marschall, et al., 1998, 2Gaspar, Palma, et al., 1997Mariaca, Berger, et al., 1997Weyerstahl, Marschall, et al., 1997
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Polydimethyl siloxanesDB-15 % Phenyl methyl siloxaneDB-5DB-5
Column length (m)  30. 30.30.
Carrier gas  H2   
Substrate      
Column diameter (mm)  0.25 0.250.25
Phase thickness (μm)  0.25   
Program not specified45 0C 3 0C/min -> 175 0C 15 0C/min -> 240 0C (10 min)not specifiednot specifiednot specified
I 1134.1106.1133.1142.1142.
ReferenceZenkevich, 1997Barroso, Figueiredo, et al., 1996Sagrero-Nieves and Bartley, 1995Garneau, Bouhajib, et al., 1994Jean, Garneau, et al., 1993
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryPacked
Active phase OV-101OV-101
Column length (m)  2.5
Carrier gas  N2
Substrate  Chromosorb G 60-80mesh DMCS
Column diameter (mm)   
Phase thickness (μm)   
Program not specifiednot specified
I 1126.1132.
ReferenceDe Pooter, Vermeesch, et al., 1989Swigar and Silverstein, 1981
Comment MSDC-RI MSDC-RI

References

Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Albano, Lima, et al., 2012
Albano, S.M.; Lima, A.S.; Miguel, M.G.; Pedro, L.G.; Barroso, J.G.; Figueiredo, A.C., Antioxidant, anti-5-lipoxygenase and antiacetylcholinesterase activities of essential oils and decoction water of some aromatic plants, Rec. Nat. Prod., 2012, 6, 1, 35-48. [all data]

Bendiabdellah, El Amine Dib, et al., 2012
Bendiabdellah, A.; El Amine Dib, M.; Djabou, N.; Allali, H.; Tabti, B.; Costa, J.; Myseli, A., Biological activities and volatile cinstituents of Daucus muricatus L. from Algeria, Chem. Centr. J., 2012, 6, 48, 1-22. [all data]

Mondello, 2012
Mondello, L., HS-SPME-GCxGC-MS analysis of Yerba Mate (Ilex paraguariensis) in Shimadzu GC-GC application compendium of comprehensive 2D GC, Vol. 1-5, Shimadzu Corp., 2012, 1-29. [all data]

da Silva, de Souza, et al., 2012
da Silva, A.C.; de Souza, P.E.; Machado, J. daC.; da Silva, B.M.; Pinto, J.E.B.P., Effectiveness of essential oils in the treatment of Colletotrichum truncatum-infected soybean seeds, Tropical Plant Patology, 2012, 37, 5, 305-313, https://doi.org/10.1590/S1982-56762012000500001 . [all data]

Chaverri, Diaz, et al., 2011
Chaverri, C.; Diaz, C.; Cicco, J.F., Chemical analysis of essential oils from Ocotea gomezii W.C. Burger and Ocotea morae Gomez-Laur. (Lauraceae) collected at Reserva biologica Alberto M. Brenes in Costa Rica and their cytotoxic activity on Tumor cell lines, J. Braz. Chem. Soc., 2011, 22, 4, s1-s4, https://doi.org/10.1590/S0103-50532011000400018 . [all data]

Wang, Liu, et al., 2011
Wang, C.F.; Liu, P.; Yang, K.; Zeng, Y.; Liu, Z.L.; Du, S.S.; Deng, Z.W., Chemical composition and toxicities of essential oil of Illicium fragesil fruits against Sitophilis zeamais, African J. Biotechnol., 2011, 10, 79, 18179-18184. [all data]

Courtois, Paine, et al., 2009
Courtois, E.A.; Paine, C.E.; Blandinieres, P.-A.; Stien, D.; Bessiere, J.-M.; Houel, E.; Baraloto, C.; Chave, J., Diversity of the volatile organic compounds emitted by 55 species of tropical trees: a survey in French Guiana, J. Chem. Ecol., 2009, 35, 11, 1349-1362, https://doi.org/10.1007/s10886-009-9718-1 . [all data]

Custer, 2009
Custer, Y., GC Volatile Components Analysis of Different Parts of Litchi chinensis (Dissertation), 2009. [all data]

Mancini, Arnold, et al., 2009
Mancini, E.; Arnold, N.A.; De Martino, L.; De Feo, V.; Formisano, C.; Rigano, D.; Senatore, F., Chemical composition and phytotoxic effects of essential oils of Salvia hierosolymitana Boiss. and Salvia multicaulis Vahl. var. simplicifolia Boiss. growing wild in Lebanon, Molecules, 2009, 14, 11, 4725-4736, https://doi.org/10.3390/molecules14114725 . [all data]

Mendes, Trindade, et al., 2009
Mendes, M.D.; Trindade, H.; Figueiredo, A.C.; Barroso, J.G.; Fontinha, S.S.; Pedro, L.G., Volatile and molecular characterization of two Portuguese endemic species: Angelica lignescens and Melanoselinium decipiens, Biochen. Systematics Ecol., 2009, 37, 2, 98-105, https://doi.org/10.1016/j.bse.2008.12.006 . [all data]

Porto, Decorti, et al., 2009
Porto, C.Da.; Decorti, D.; Kikic, I., Flavour compounds of Lavandula angustifolia L. to use in food manufacturing: comparison of three different extraction methods, Food Chem., 2009, 112, 4, 1072-1078, https://doi.org/10.1016/j.foodchem.2008.07.015 . [all data]

Costa, De Fina, et al., 2008
Costa, R.; De Fina, M.R.; Valentino, M.R.; Rustaiyan, A.; Dugo, P.; Dugo, G.; Mondello, L., An investigation on the volatile composition of some Artemisia species from Iran, Flavour Fragr. J., 2008, 24, 2, 75-82, https://doi.org/10.1002/ffj.1919 . [all data]

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Lo Presti, Sciarrone, et al., 2008
Lo Presti, M.; Sciarrone, D.; Crupi, M.C.; Costa, R.; Ragusa, S.; Dugo, G.; Mondello, L., Evaliation of the volatile and chiral composition in Pistacia lentiscus L. essential oil, Flavour Fragr. J., 2008, 23, 4, 249-257, https://doi.org/10.1002/ffj.1878 . [all data]

Nogueira, Marcelo-Curto, et al., 2008
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Duschatzky, Almeida, et al., 2007
Duschatzky, C.B.; Almeida, N.V.; Possetto, M.; Michis, F.; Scappini, E.; Lampasona, M.P.; Shuff, C., Essential oil composition of Heterothalamus alienus (Spreng.) Kuntze (Romerillo) from Argentina. Effect of harvesting period on the essential oil composition, Flavour Fragr. J., 2007, 22, 1, 39-41, https://doi.org/10.1002/ffj.1747 . [all data]

Hashemi, Abolghasemi, et al., 2007
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Merle, Verdeguer, et al., 2007
Merle, H.; Verdeguer, M.; Blázquez, M.A.; Boira, H., Chemical composition of the essential oils from Eriocephalus africanus L. var. africanus populations growing in Spain, Flavour Fragr. J., 2007, 22, 6, 461-464, https://doi.org/10.1002/ffj.1821 . [all data]

Nivinsliene, Butkiene, et al., 2007
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Pontes, de Oliveira, et al., 2007
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Ristic, Krivokuca-Dokic, et al., 2007
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Salamci, Kordali, et al., 2007
Salamci, E.; Kordali, S.; Kotan, R.; Cakir, A.; Kaya, Y., Chemical compositions, antimicrobial and herbicidal effects of essential oils isolated from Turkish Tanacetum aucheranum and Tanacetum chiliophyllum var. chiliophyllum, Biochem. Syst. Ecol., 2007, 35, 9, 569-581, https://doi.org/10.1016/j.bse.2007.03.012 . [all data]

Figueiredo A.C., Barroso J.G., et al., 2006
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Jordan, Martinez, et al., 2006
Jordan, M.J.; Martinez, R.M.; Goodner, K.L.; Baldwin, E.A.; Sotomayor, J.A., Seasonal variation of Thymus hyemalis Lange and Spanish Thymus vulgaris L. essential oils composition, Ind. Crops Prod., 2006, 24, 3, 253-263, https://doi.org/10.1016/j.indcrop.2006.06.011 . [all data]

Lorenzo, Loayza, et al., 2006
Lorenzo, D.; Loayza, I.; Dellacassa, E., Composition and chiral characterization of the essential oil of Buddleja tucumanensis from Bolivia, Flavour Fragr. J., 2006, 21, 1, 95-98, https://doi.org/10.1002/ffj.1526 . [all data]

Martinez, Madrid, et al., 2006
Martinez, S.; Madrid, J.; Hernández, F.; Megias, M.D.; Sotomayor, J.A.; Jordan, M.J., Effect of thyme essential oils (Thymus hyemalis and Thymus zygis) and Monensin on in Vitro Ruminal degradation and volatile fatty acid production, J. Agric. Food Chem., 2006, 54, 18, 6598-6602, https://doi.org/10.1021/jf060985p . [all data]

Schmidt, Noletto, et al., 2006
Schmidt, J.M.; Noletto, J.A.; Vogler, B.; Setzer, W.N., Abaco Bush Medicine: Chemical composition of the essential oils of four aromatic medicinal plants from Abaco Island, Bahamas, J. Herbs, Spices Medicinal Plants, 2006, 12, 3, 43-65, https://doi.org/10.1300/J044v12n03_04 . [all data]

Singh G., Maurya S., et al., 2006
Singh G.; Maurya S.; de Lampasona M.P.; Catalan C.A.N., Studies on essential oils, Part 41. Chemical composition, antifungal, antioxidant and sprout suppressant activities of coriander (Coriandrum sativum) essential oil and its oleoresin, Flavour Fragr. J., 2006, 21, 3, 472-479, https://doi.org/10.1002/ffj.1608 . [all data]

Tognolini, Barocelli, et al., 2006
Tognolini, M.; Barocelli, E.; Ballabeni, V.; Bruni, R.; Bianchi, A.; Chiavarini, M.; Impicciatore, M., Comparative screening of plant essential oils: Phenylpropanoid moiety as basic core for antiplatelet activity, Life Sciences, 2006, 78, 13, 1419-1432, https://doi.org/10.1016/j.lfs.2005.07.020 . [all data]

Bagci and Baser, 2005
Bagci, E.; Baser, K.H.C., Study of the essential oils of Thymus haussknechtii Velen and Thymus kotschyanus Boiss. et Hohen var. kotschyanus (Lamiaceae) taxa from the eastern Anatolian region in Turkey, Flavour Fragr. J., 2005, 20, 2, 199-202, https://doi.org/10.1002/ffj.1397 . [all data]

Butkienë, Nivinskienë, et al., 2005
Butkienë, R.; Nivinskienë, O.; Mockutë, D., α-Pinene chemotype of leaf (needle) essential oils of Juniperus communis L. growing wild in Vilnius district, Chemija, 2005, 16, 1, 53-60. [all data]

Hamm, Bleton, et al., 2005
Hamm, S.; Bleton, J.; Connan, J.; Tchapla, A., A chemical investigation by headspace SPME and GC-MS of volatile and semi-volatile terpenes in various olibanum samples, Phytochemistry, 2005, 66, 12, 1499-1514, https://doi.org/10.1016/j.phytochem.2005.04.025 . [all data]

Judzentiene and Mockute, 2005
Judzentiene, A.; Mockute, D., The inflorescence and leaf essential oils of Tanacetum vulgare L. var. vulgare growing wild in Lithuania, Biochem. Syst. Ecol., 2005, 33, 5, 487-498, https://doi.org/10.1016/j.bse.2004.11.003 . [all data]

Koutsoudaki, Krsek, et al., 2005
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Butkienë, Nivinskienë, et al., 2004
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Notes

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