3-Cyclopentene-1-acetaldehyde, 2,2,3-trimethyl-, (R)-


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

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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-1-MSDB-5HP-5SLB-5 MSSLB-5 MS
Column length (m) 60.30.30.30.30.
Carrier gas HeliumHelium HeliumHelium
Substrate      
Column diameter (mm) 0.250.250.320.250.25
Phase thickness (μm) 0.250.25 0.250.25
Program not specified50 0C m6 0C/min -> 140 0C 5 0C/min -> 160 0C (1 min) 10 0C/min -> 200 0Cnot specified50 0C 3 0C/min -> 250 0C (1 min) 10 0C/min -> 300 0C (5 min)not specified
I 1103.1133.1126.1126.1122.
ReferenceTakeoka, Hobbs, et al., 2010Courtois, Paine, et al., 2009Riahi, Pourbasheer, et al., 2009Costa, De Fina, et al., 2008Costa, De Fina, et al., 2008
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SPB-5SPB-5SLB-5 MSHP-5MSDB-1
Column length (m)   30.30.30.
Carrier gas   HeliumHeH2
Substrate      
Column diameter (mm)   0.250.250.25
Phase thickness (μm)   0.250.250.25
Program not specifiednot specifiednot specified40C(10min) => 3C/min => 200C => 2C/min => 220C45 0C 3 0C/min -> 175 0C 15 0C/min -> 300 0C (10 min)
I 1134.1135.1126.1125.1088.
ReferenceKilani, Ledauphin, et al., 2008Kilani, Ledauphin, et al., 2008Lo Presti, Sciarrone, et al., 2008Cole, Haber, et al., 2007Kamatou, Viljoen, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP Sil 8 CBHP-5BPX-5HP-5 MSHP-5MS
Column length (m) 30.30.30.30.30.
Carrier gas HeHeliumHeHeliumHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.250.25  
Program 50C(3min) => 3C/min => 100C => 2.7C/min => 140C => 2.4C/min => 180C => 6C/min => 250Cnot specified50C => 3C/min => 150C(10min) => 10C/min => 250C40 0C (10 min) 3 oC/min -> 200 0C 2 0C/min -> 220 0C40C(10min) => 3C/min => 200C => 2C/min => 220C
I 1093.1126.1134.1125.1130.
ReferenceMeekijjaroenroj, Bessière, et al., 2007Ristic, Krivokuca-Dokic, et al., 2007Salamci, Kordali, et al., 2007Setzer, Stokes, et al., 2007Takaku, Haber, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase BPX-5BPX-5HP-5MSSE-52DB-5MS
Column length (m) 30.30.30.30.30.
Carrier gas HeHeHeHe 
Substrate      
Column diameter (mm) 0.250.250.320.320.25
Phase thickness (μm) 0.250.250.250.150.25
Program 50C => 3C/min => 150C(10min) => 10C/min => 250C50C => 3C/min => 150C (10min) => 10C/min => 250C60C(1min) => 1.5C => 185C => 9C/min => 275C (2min)45C => 1C/min => 100C => 5C/min => 250C (10min)70C(2min) => 10C/min => 150C(15min) => 5C/min => 240C
I 1134.1133.1127.1126.1122.
ReferenceBaris, Güllüce, et al., 2006Ozer H., Kilic H., et al., 2006Singh G., Maurya S., et al., 2006Tognolini, Barocelli, et al., 2006Bagci and Baser, 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5MSCP Sil 8 CBDB-5BPX-5CP Sil 8 CB
Column length (m) 30.50.30.30.50.
Carrier gas  HeHeHeHe
Substrate      
Column diameter (mm) 0.250.320.250.320.32
Phase thickness (μm) 0.250.250.250.50.25
Program 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(1min) => 3.5C/min => 180C => 20C/min => 280C(2min)50C(5min) => 2C/min => 90C => 15C/min => 240C(4min)
I 1088.1126.1119.1126.1126.
ReferenceBagci and Baser, 2005Butkienë, Nivinskienë, et al., 2005Hamm, Bleton, et al., 2005Koutsoudaki, Krsek, et al., 2005Butkienë, Nivinskienë, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Methyl SiliconeOV-1DB-5DB-5DB-1
Column length (m)  30.30.30.30.
Carrier gas  HeHeHeHe
Substrate      
Column diameter (mm)  0.250.250.250.25
Phase thickness (μm)  0.250.250.250.25
Program not specified45 0C (4 min) 3 0C/min -> 75 0C 4 0C/min -> 115 0C 6 0C/min -> 312 0C40C(1min) => 9C/min => 130C => 2C/min => 230C60C(4min) => 6C/min => 240 => 10C/min => 280C45C => 3C/min => 175C => 15C/min => 300C (10min)
I 1121.1094.1119.1125.1088.
ReferenceCouladis, Özcan, et al., 2004Hafez and Abdel-Salam, 2004Hamm, Bleton, et al., 2004Letchamo, Ward, et al., 2004Miguel, Simões, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5SE-30AT-5HP-1HP-5
Column length (m)   60.30.30.
Carrier gas   HeHe 
Substrate      
Column diameter (mm)   0.250.320.25
Phase thickness (μm)   0.250.250.25
Program not specifiednot specified50 0C 5 0C/min -> 135 0C (1 min) 5 0C/min -> 225 0C (5 min) 5 0C/min -> 260 0C40C(3min) => 5C/min => 180C => 15C/min => 240C(15min)not specified
I 1125.1115.1125.1132.1120.
ReferenceVilaseca, Guy, et al., 2004Vinogradov, 2004Usai, Atzei, et al., 2003Nogueira and Romano, 2002Aparicio, Romero, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1HP-5DB-1CP Sil 5 CBCP Sil 5 CB
Column length (m) 30.30.30.25.25.
Carrier gas  HeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.25  
Phase thickness (μm) 0.250.250.250.390.39
Program 45 0C 3 K/min -> 175 0C 15 K/min -> 300 0C (10 min)50 0C 3 K/min -> 200 0C 8 K/min -> 280 0C45C => 3C/min => 175C => 15C/min => 240C (10min)not specifiednot specified
I 1088.1121.1088.1099.1075.
ReferenceFigueiredo, Miguel, et al., 2001Usubillaga, Aparicio, et al., 2001Baratta, Dorman, et al., 1998Weyerstahl, Marschall, et al., 1998Weyerstahl, Marschall, et al., 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP Sil 5 CBDB-1CP Sil 5 CBPolydimethyl siloxanesDB-1
Column length (m) 25.30.30. 30.
Carrier gas N2HeN2 H2
Substrate      
Column diameter (mm)  0.250.25 0.25
Phase thickness (μm) 0.390.25  0.25
Program not specified45C => 3C/min => 175C => 15C/min => 280Cnot specifiednot specified45 0C 3 0C/min -> 175 0C 15 0C/min -> 240 0C (10 min)
I 1106.1088.1108.1115.1088.
ReferenceWeyerstahl, Marschall, et al., 1998, 2Gaspar, Palma, et al., 1997Weyerstahl, Marschall, et al., 1997Zenkevich, 1997Barroso, Figueiredo, et al., 1996
Comment MSDC-RI MSDC-RI MSDC-RI 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.

Takeoka, Hobbs, et al., 2010
Takeoka, G.R.; Hobbs, C.; Byeoung-Soo, P., Volatile constituents of the aerial parts of Salvia apiana Jepson, J. Essential Oil. Res., 2010, 22, 3, 241-244, https://doi.org/10.1080/10412905.2010.9700314 . [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]

Riahi, Pourbasheer, et al., 2009
Riahi, S.; Pourbasheer, E.; Ganjali, M.R.; Norouzi, P., Investigation of different linear and non-linear chemometric methods for modeling of retention index of essential oil components: Concerns to support vector mashine, J. Hazard. Mat., 2009, 166, 2-3, 853-859, https://doi.org/10.1016/j.jhazmat.2008.11.097 . [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]

Kilani, Ledauphin, et al., 2008
Kilani, S.; Ledauphin, J.; Bouhlel, I.; Ben Sghaier, M.; Boubaker, J.; Skandrani, I.; Mosrati, R.; Ghedira, K.; Barillier, D.; Chekir-Ghedira, L., Comparative study of Cyperus rotundus essential oil by a modified GC/MS analysis method. Evaluation of its antioxidantt, cytotoxic, and apoptoic effects, Chem. Biodiversity, 2008, 5, 5, 729-742, https://doi.org/10.1002/cbdv.200890069 . [all data]

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]

Cole, Haber, et al., 2007
Cole, R.A.; Haber, W.A.; Setzer, W.N., Chemical composition of essential oils of seven species of Eugenia from Monteverde, Costa Rica, Biochem. Syst. Ecol., 2007, 35, 12, 877-886, https://doi.org/10.1016/j.bse.2007.06.013 . [all data]

Kamatou, Viljoen, et al., 2007
Kamatou, G.P.P.; Viljoen, A.M.; Figueiredo, A.C.; Tilney, P.M.; Van Zyl, R.L.; Barroso, J.G.; Pedro, L.G.; Van Vuuren, S.F., Trichomes, essential oil composition and biological activities of Salvia albanicus Benth. and S. dolomitica Codd, two species from the Cape region of Soith Africa, South African J. Botany, 2007, 73, 1, 102-108, https://doi.org/10.1016/j.sajb.2006.08.001 . [all data]

Meekijjaroenroj, Bessière, et al., 2007
Meekijjaroenroj, A.; Bessière, J.-M.; Anstett, M.-C., Chemistry of floral scents in four Licuala species (Arecaceae), Flavour Fragr. J., 2007, 22, 4, 300-310, https://doi.org/10.1002/ffj.1797 . [all data]

Ristic, Krivokuca-Dokic, et al., 2007
Ristic, M.; Krivokuca-Dokic, D.; Radanovic, D.; Nastovski, T., Etarsko ulje Arnica montata i Arnica chamissonis, Hem. Ind., 2007, 61, 5, 272-277, https://doi.org/10.2298/HEMIND0704272R . [all data]

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]

Setzer, Stokes, et al., 2007
Setzer, W.N.; Stokes, S.L.; Penton, A.F.; Takaku, S.; Haber, W.A.; Hansell, E.; Caffrey, C.R.; McKerrow, J.H., Cruzain inhibitory activity of leaf essential oils of neotropical Lauraceae and essential oil components, Natural Product Communications, 2007, 2, 12, 1203-1210. [all data]

Takaku, Haber, et al., 2007
Takaku, S.; Haber, W.A.; Setzer, W.N., Leaf essential oil composition of 10 species of Ocotea (Lauraceae) from Monteverde, Costa Rica, Biochem. Syst. Ecol., 2007, 35, 8, 525-532, https://doi.org/10.1016/j.bse.2007.02.003 . [all data]

Baris, Güllüce, et al., 2006
Baris, Ö.; Güllüce, M.; Sahin, F.; Özer, H.; Kilic, H.; Özkan, H.; Sökmen, M.; Özbek, T., Biological Activities of the Essential Oil and Methanol Extract of Achillea biebersteinii Afan. (Asteraceae), Turk. J. Biol., 2006, 30, 65-73. [all data]

Ozer H., Kilic H., et al., 2006
Ozer H.; Kilic H.; Gulluce M.; Sahin F., Essential oil composition of Tanacetum sorbifolium (Boiss.) Grierson from Turkey, Flavour Fragr. J., 2006, 21, 3, 543-545, https://doi.org/10.1002/ffj.1656 . [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]

Koutsoudaki, Krsek, et al., 2005
Koutsoudaki, C.; Krsek, M.; Rodger, A., Chemical composition and antibacterial activity of the essential oil and the gum of pistacia lentiscus Var. chia, J. Agric. Food Chem., 2005, 53, 20, 7681-7685, https://doi.org/10.1021/jf050639s . [all data]

Butkienë, Nivinskienë, et al., 2004
Butkienë, R.; Nivinskienë, O.; Mockutë, D., Chemical composition of unripe and ripe berry essential oils of Juniperus communis L. growing wild in Vilnius district, Chemija, 2004, 15, 4, 57-63. [all data]

Couladis, Özcan, et al., 2004
Couladis, M.; Özcan, M.; Tzakou, O.; Akgül, A., Menengic (Pistacia terebinthus L.) agacinin degisik organlarinda ucucu yag bilesimi, Bitkisel Ilac Hammaddeleri Toplantisi, Bildiriler, 29-31 Mayis 2002, 2004, 6. [all data]

Hafez and Abdel-Salam, 2004
Hafez, S.S.; Abdel-Salam, H.A., chemical composition and antimicrobial activity of the volatile constituents of thuja occidentalis L. growing in Egipt, Alexandria J. Pharm. Sci., 2004, 18, 1, 41-47. [all data]

Hamm, Bleton, et al., 2004
Hamm, S.; Bleton, J.; Tchapla, A., Headspace solid phase microextraction for screening for the presence of resins in Egyptian archaeological samples, J. Sep. Sci., 2004, 27, 3, 235-243, https://doi.org/10.1002/jssc.200301611 . [all data]

Letchamo, Ward, et al., 2004
Letchamo, W.; Ward, W.; Heard, B.; Heard, D., Essential oil of Valeriana officinalis L. cultivars and their antimicrobial activity as influenced by harvesting time under commercial organic cultivation, J. Agric. Food Chem., 2004, 52, 12, 3915-3919, https://doi.org/10.1021/jf0353990 . [all data]

Miguel, Simões, et al., 2004
Miguel, G.; Simões, M.; Figueiredo, A.C.; Barroso, J.G.; Pedro, L.G.; Carvalho, L., Composition and antioxidant activities of the essential oils of Thymus caespititius, Thymus camphoratus and Thymus mastichina, Food Chem., 2004, 86, 2, 183-188, https://doi.org/10.1016/j.foodchem.2003.08.031 . [all data]

Vilaseca, Guy, et al., 2004
Vilaseca, A.; Guy, I.; Charles, B.; Guinaudeau, H.; de Arias, A.R.; Fournet, A., Chemical composition and insecticidal activity of Hedeoma mandoniana essential oils, J. Essent. Oil Res., 2004, 16, 4, 380-383, https://doi.org/10.1080/10412905.2004.9698749 . [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Usai, Atzei, et al., 2003
Usai, M.; Atzei, A.; Pintore, G.; Casanova, I., Composition and variability of the essential oil of Sardinian Thymus herba-barona Loisel, Flavour Fragr. J., 2003, 18, 1, 21-25, https://doi.org/10.1002/ffj.1137 . [all data]

Nogueira and Romano, 2002
Nogueira, J.M.F.; Romano, A., Essential oils from micropropagated plants of Lavandula viridis, Phytochem. Anal., 2002, 13, 1, 4-7, https://doi.org/10.1002/pca.609 . [all data]

Aparicio, Romero, et al., 2001
Aparicio, R.; Romero, M.; Rojas, L.B.; Khouri, N.; Usubillaga, A., Composition of the essential oil of four species of Ruilopezia from the Venezuelan Andes, Flavour Fragr. J., 2001, 16, 3, 172-174, https://doi.org/10.1002/ffj.973 . [all data]

Figueiredo, Miguel, et al., 2001
Figueiredo, A.C.; Miguel, M.G.; Duarte, A.M.F.; Barroso, J.G.; Pedro, L.G., Essential oil composition of Thymus lotocephallus G. López R. Morales, collected during flowering and vegetative phases, Flavour Fragr. J., 2001, 16, 6, 417-421, https://doi.org/10.1002/ffj.1028 . [all data]

Usubillaga, Aparicio, et al., 2001
Usubillaga, A.; Aparicio, R.; Romero, M.; Rojas, L.B.; Khouri, N., Volatile constituents from the leaves of four Libanothamus species from the Venezuelan Andes, Flavour Fragr. J., 2001, 16, 3, 209-211, https://doi.org/10.1002/ffj.981 . [all data]

Baratta, Dorman, et al., 1998
Baratta, M.T.; Dorman, H.J.; Deans, S.G.; Figueiredo, A.C.; Barroso, J.G.; Ruberto, G., Antimicrobial and antioxidant properties of some commercial essential oils, Flavour Fragr. J., 1998, 13, 4, 235-244, https://doi.org/10.1002/(SICI)1099-1026(1998070)13:4<235::AID-FFJ733>3.0.CO;2-T . [all data]

Weyerstahl, Marschall, et al., 1998
Weyerstahl, P.; Marschall, H.; Weirauch, M.; Thefeld, K.; Surburg, H., Constituents of commercial Labdanum oil, Flavour Fragr. J., 1998, 13, 5, 295-318, https://doi.org/10.1002/(SICI)1099-1026(1998090)13:5<295::AID-FFJ751>3.0.CO;2-I . [all data]

Weyerstahl, Marschall, et al., 1998, 2
Weyerstahl, P.; Marschall, H.; Thefeld, K.; Subba, G.C., Constituents of the essential oil from the rhizomes of Hedychium gardnerianum Roscoe, Flavour Fragr. J., 1998, 13, 6, 377-388, https://doi.org/10.1002/(SICI)1099-1026(199811/12)13:6<377::AID-FFJ755>3.0.CO;2-F . [all data]

Gaspar, Palma, et al., 1997
Gaspar, H.; Palma, F.M.S.B.; de la Torre, M.C.; Rodríguez, B.; Barroso, J.G.; Figueiredo, A.C., Composition of the essential oil of Teucrium haenseleri Boiss., Flavour Fragr. J., 1997, 12, 5, 355-357, https://doi.org/10.1002/(SICI)1099-1026(199709/10)12:5<355::AID-FFJ656>3.0.CO;2-B . [all data]

Weyerstahl, Marschall, et al., 1997
Weyerstahl, P.; Marschall, H.; Seelmann, I.; Rustaiyan, A., Constituents of the essential oil of Achillea eriophora DC, Flavour Fragr. J., 1997, 12, 2, 71-78, https://doi.org/10.1002/(SICI)1099-1026(199703)12:2<71::AID-FFJ620>3.0.CO;2-E . [all data]

Zenkevich, 1997
Zenkevich, I.G., Analytical Parameters of Components of Essential Oils for their Chromatographic and Chromato-Spectral Identificaiton. Oxsigenated derivatives of Mono- and Sesquiterpene Hydrocarbons, Rastit, Resursy (Rus.), 1997, 33, 1, 16-28. [all data]

Barroso, Figueiredo, et al., 1996
Barroso, J.G.; Figueiredo, A.C.; Pedro, L.G.; Antunes, T.; Sevinate-Pinto, I.; Fontinha, S.S.; Scheffer, J.J.C., Composition of the essential oil of teucrium heterophyllum L'Her. Grown on Madiera, Flavour Fragr. J., 1996, 11, 2, 129-132, https://doi.org/10.1002/(SICI)1099-1026(199603)11:2<129::AID-FFJ550>3.0.CO;2-Z . [all data]


Notes

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