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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-1Siloxane, 5 % PhHP-5Polydimethyl siloxane, 5 % phenylDB-1
Column length (m) 30.   30.
Carrier gas Hydrogen   Helium
Column diameter (mm) 0.25   0.25
Phase thickness (mum) 0.25   0.25
Program 45 0C 3 0C/min -> 175 0C 15 0C/min -> 300 0C (10 min)not specifiednot specifiednot specifiednot specified
I 974.986.996.986.995.
ReferenceAlbano, Lima, et al., 2012VOC BinBase, 2012Citron, Riclea, et al., 2011Skogerson, Wohlgemuth, et al., 2011Xu, Tang, et al., 2010
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5HP-5DB-5DB-5 MSHP-1
Column length (m)
Carrier gas HeliumHeliumHeliumHeliumHe
Column diameter (mm) 0.250.320.250.250.2
Phase thickness (mum)
Program 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 0Cnot specifiednot specified40C(2min) => 2C/min => 200C => 15C/min => 250C (30min)
I 1000.1000.1004.996.974.
ReferenceCourtois, Paine, et al., 2009Maggi, Bilek, et al., 2009Porto, Decorti, et al., 2009Su, Wang, et al., 2009Barra, Baldovini, et al., 2007
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SPB-1SPB-1HP-5HP-5SPB-5
Column length (m) 50.50.  60.
Carrier gas    HeHe
Column diameter (mm) 0.250.25  0.32
Phase thickness (mum) 0.250.25  1.
Program 70C(3min) => 4C/min => 120C => 8C/min => 250C(5min)70C(3min) => 4C/min => 120C => 8C/min => 250C(5min)not specified50C => 3C/min => 200C(10min) => 10C/min => 290C(10min)60C => 1C/min => 130C => 2C/min => 200C => 4C/min => 250C (40min)
I 981.981.993.994.990.
ReferenceDíaz-Maroto, Castillo, et al., 2007Díaz-Maroto, Castillo, et al., 2007Liolios, Laouer, et al., 2007Splivallo, Bossi, et al., 2007Chemat, Lucchesi, et al., 2006
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SPB-5SE-52RTX-5RTX-5DB-5MS
Column length (m)
Carrier gas HeHeN2N2 
Column diameter (mm) 0.320.320.250.250.25
Phase thickness (mum)
Program 60C => 1C/min => 130C => 2C/min => 200C => 4C/min => 250C(40min)45C => 1C/min => 100C => 5C/min => 250C (10min)not specifiednot specified70C(2min) => 10C/min => 150C(15min) => 5C/min => 240C
I 990.991.1012.1012.1013.
ReferenceIriti, Colnaghi, et al., 2006Tognolini, Barocelli, et al., 2006Ádámová, Orinák, et al., 2005Ádámová, Orinák, et al., 2005Bagci and Baser, 2005
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase MDN-5HP-5MSSPB-5Polydimethyl siloxaneAT-5
Column length (m) 30.30.60. 60.
Carrier gas  He  He
Column diameter (mm) 0.25
Phase thickness (mum) 0.250.251. 0.25
Program not specified50C(3min) => 3C/min => 150C(10min) => 10C/min => 250Cnot specifiednot specified50 0C 5 0C/min -> 135 0C (1 min) 5 0C/min -> 225 0C (5 min) 5 0C/min -> 260 0C
I 989.991.994.982.993.
ReferenceJelen and Grabarkiewicz-Szczesna, 2005Sahin, Gulluce, et al., 2004Begnaud, Pérès, et al., 2003Junkes, Castanho, et al., 2003Usai, Atzei, et al., 2003
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-5Polydimethyl siloxaneDB-1Methyl Silicone
Column length (m) 30.30. 30. 
Carrier gas    H2 
Column diameter (mm) 0.200.20 0.25 
Phase thickness (mum) 1.01.0 0.25 
Program not specifiednot specifiednot specified40 0C 3 K/min -> 175 0C 15 K/min -> 240 0C (10 min)not specified
I 988.988.961.974.982.
ReferenceRapior, Breheret, et al., 2002Rapior, Breheret, et al., 2002Spanier, Shahidi, et al., 2001da Silva, Pedro, et al., 2000Estrada and Gutierrez, 1999
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1DB-5SE-54SE-54DB-1
Column length (m)
Carrier gas HeHeHeHeH2
Column diameter (mm)
Phase thickness (mum) 0.250.25  0.25
Program 45C => 3C/min => 170C => 15C/min => 300C(10min)60C => 3C/min => 240C => 30C/min => 300C35C => 40C/min => 60C (1min) => 6C/min => 250C35C => 40C/min => 60C (1min) => 6C/min => 250C45 0C 3 0C/min -> 175 0C 15 0C/min -> 240 0C (10 min)
I 974.996.987.987.974.
ReferencePedro, da Silva, et al., 1999Yusuf, Begum, et al., 1998Lizárraga-Guerra, Guth, et al., 1997Lizárraga-Guerra, Guth, et al., 1997Barroso, Figueiredo, et al., 1996
Column type CapillaryCapillaryCapillary
Active phase DB-1OV-1OV-101
Column length (m) 60.35.60.
Carrier gas    
Column diameter (mm) 0.320.500.25
Phase thickness (mum)  1.5 
Program not specifiednot specifiednot specified
I 979.986.971.
ReferenceBinder and Flath, 1989De Pooter and Schamp, 1987Shibamoto, 1987


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]

VOC BinBase, 2012
VOC BinBase, The volatile compound BinBase (VOC BinBase), 2012, retrieved from http://fiehnlab.ucdavis.edu/projects/VocBinBase and http://binbase.sourceforge.net. [all data]

Citron, Riclea, et al., 2011
Citron, C.A.; Riclea, R.; Brock, N.L.; Dickschat, J.S., Biosynthesis of acorane sesquiterpenes by Trichoderma. Electronic supplemental materials (ESI), Royal Soc. Chem., 2011, 1-10. [all data]

Skogerson, Wohlgemuth, et al., 2011
Skogerson, K.; Wohlgemuth, G.; Fiehn, O., VocBinNase, 2011, retrieved from http://fiehnlab.ucdavis.edu/projects//VocBinBase. [all data]

Xu, Tang, et al., 2010
Xu, X.; Tang, Z.; Liang, Y., Comparative analysis of plant essential oils by GC-MS coupled with integrated chemometric resolution methods, Anal. Methods, 2010, 2, 4, 359-367, https://doi.org/10.1039/b9ay00213h . [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]

Maggi, Bilek, et al., 2009
Maggi, F.; Bilek, T.; Lucarini, D.; Papa, F.; Sagratini, G.; Vittori, S., Melittis melissophyllum L. subsp. melissophylum (Lamiaceae) from central Italy: A new source of a mushrrom-like flavour, Food Chem., 2009, 113, 1, 216-221, https://doi.org/10.1016/j.foodchem.2008.07.066 . [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]

Su, Wang, et al., 2009
Su, Y.; Wang, C.; Yinlong, G., Analysis of volatile compounds from Mentha hapioealyx Briq. by GC-MS based on accurate mass measurements and retention indices, Acta Chem. Sinica, 2009, 67, 6, 546-554. [all data]

Barra, Baldovini, et al., 2007
Barra, A.; Baldovini, N.; Loiseau, A.-M.; Albino, L.; Lesecq, C.; Cuvelier, L.L., Chemical analysis of French beans (Phaseolus vulgaris L.) by headspace solid phase microextraction (HS-SPME) and simultaneous distillation/extraction (SDE), Food Chem., 2007, 101, 3, 1279-1284, https://doi.org/10.1016/j.foodchem.2005.12.027 . [all data]

Díaz-Maroto, Castillo, et al., 2007
Díaz-Maroto, M.C.; Castillo, N.; Castro-Vázquez, L.; González-Viñas, M.A.; Pérez-Coello, M.S., Volatile composition and olfactory profile of pennyroyal (Mentha pulegium L.) plants, Flavour Fragr. J., 2007, 22, 2, 114-118, https://doi.org/10.1002/ffj.1766 . [all data]

Liolios, Laouer, et al., 2007
Liolios, C.; Laouer, H.; Boulaacheb, N.; Gortzi, O.; Chinou, I., Chemical Composition and Antimicrobial Activity of the Essential Oil of Algherian Phlomis bovei De Noe subsp. bovei, Molecules, 2007, 12, 4, 772-781, https://doi.org/10.3390/12040772 . [all data]

Splivallo, Bossi, et al., 2007
Splivallo, R.; Bossi, S.; Maffei, M.; Bonfante, P., Discrimination of truffle fruiting body versus mycelial aromas by stir bar sorptive extraction, Phytochemistry, 2007, 68, 20, 2584-2598, https://doi.org/10.1016/j.phytochem.2007.03.030 . [all data]

Chemat, Lucchesi, et al., 2006
Chemat, F.; Lucchesi, M.E.; Smadja, J.; Favretto, L.; Colnaghi, G.; Visinoni, F., Microwave accelerated steam distillation of essential oil from lavender: A rapid, clean and environmentally friendly approach, Anal. Chim. Acta., 2006, 555, 1, 157-160, https://doi.org/10.1016/j.aca.2005.08.071 . [all data]

Iriti, Colnaghi, et al., 2006
Iriti, M.; Colnaghi, G.; Chemat, F.; Smadja, J.; Faoro, F.; Visinoni, F.A., Histo-cytochemistry and scanning electron microscopy of lavender glandular trichomes following conventional and microwave-assisted hydrodistillation of essential oils: a comparative study, Flavour Fragr. J., 2006, 21, 4, 704-712, https://doi.org/10.1002/ffj.1692 . [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]

Ádámová, Orinák, et al., 2005
Ádámová, M.; Orinák, A.; Halás, L., Retention indices as identification tool in pyrolysis-capillary gas chromatography, J. Chromatogr. A, 2005, 1087, 1-2, 131-141, https://doi.org/10.1016/j.chroma.2005.01.003 . [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]

Jelen and Grabarkiewicz-Szczesna, 2005
Jelen, H.H.; Grabarkiewicz-Szczesna, J., Volatile compounds of Aspergillus strains with different abilities to produce ochratoxin A, J. Agric. Food Chem., 2005, 53, 5, 1678-1683, https://doi.org/10.1021/jf0487396 . [all data]

Sahin, Gulluce, et al., 2004
Sahin, F.; Gulluce, M.; Daferera, D.; Sokmen, A.; Sokmen, M.; Polissiou, M.; Agar, G.; Ozer, H., Biological activities of the essential oils and methanol extract of Origanum vulgare ssp. vulgare in the Eastern Anatolia region of Turkey, Food Control, 2004, 15, 7, 549-557, https://doi.org/10.1016/j.foodcont.2003.08.009 . [all data]

Begnaud, Pérès, et al., 2003
Begnaud, F.; Pérès, C.; Berdagué, J.-L., Characterization of volatile effluents of livestock buildings by solid-phase microextraction, Int. J. Environ. Anal. Chem., 2003, 83, 10, 837-849, https://doi.org/10.1080/03067310310001603349 . [all data]

Junkes, Castanho, et al., 2003
Junkes, B.S.; Castanho, R.D.M.; Amboni, C.; Yunes, R.A.; Heinzen, V.E.F., Semiempirical Topological Index: A Novel Molecular Descriptor for Quantitative Structure-Retention Relationship Studies, Internet Electronic Journal of Molecular Design, 2003, 2, 1, 33-49. [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]

Rapior, Breheret, et al., 2002
Rapior, S.; Breheret, S.; Talou T.; Pelissier, Y.; Bessiere, J.-M., The anise-like odor of Clitocybe odora, Lentinellus cochleatus and Agaricus essettei, Mycologia, 2002, 94, 3, 373-376, https://doi.org/10.2307/3761770 . [all data]

Spanier, Shahidi, et al., 2001
Spanier, A.M.; Shahidi, F.; Par; iment, T.H.; Mussinan, C., Food Flavors and Chemistry. Advances of the New Millenium, Royal Soc. Chem., 2001, 666. [all data]

da Silva, Pedro, et al., 2000
da Silva, J.A.; Pedro, L.G.; Santos, P.A.G.; Figueiredo, A.C.; Barroso, J.G.; Tenreiro, R.P.; Ribeiro, C.A.; Deans, S.G.; Looman, A.; Scheffer, J.J.C., Essential oils from seven populations of Juniperus brevifolia (Seub.) Antoine, an endemic species of the Azores, Flavour Fragr. J., 2000, 15, 1, 31-39, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<31::AID-FFJ862>3.0.CO;2-C . [all data]

Estrada and Gutierrez, 1999
Estrada, E.; Gutierrez, Y., Modeling chromatographic parameters by a novel graph theoretical sub-structural approach, J. Chromatogr. A, 1999, 858, 2, 187-199, https://doi.org/10.1016/S0021-9673(99)00808-0 . [all data]

Pedro, da Silva, et al., 1999
Pedro, L.G.; da Silva, J.A.; Barroso, J.G.; Figueiredo, A.C.; Deans, S.G.; Looman, A.; Scheffer, J.J.C., Composition of the essential oil fo Chaerophyllum azoricum Trel., an endemic species of the Azores archipelago, Flavour Fragr. J., 1999, 14, 5, 287-289, https://doi.org/10.1002/(SICI)1099-1026(199909/10)14:5<287::AID-FFJ827>3.0.CO;2-O . [all data]

Yusuf, Begum, et al., 1998
Yusuf, M.; Begum, J.; Mondello, L.; Stagno d'Alcontres, I.S., Studies on the essential oil bearing plants of Bangladesh. Part VI. Composition of the oil of Ocimum gratissimum L., Flavour Fragr. J., 1998, 13, 3, 163-166, https://doi.org/10.1002/(SICI)1099-1026(199805/06)13:3<163::AID-FFJ714>3.0.CO;2-1 . [all data]

Lizárraga-Guerra, Guth, et al., 1997
Lizárraga-Guerra, R.; Guth, H.; López, M.G., Identification of the most potent odorants in huitlacoche (Ustilago maydis) and austern pilzen (Pleurotus sp.) by aroma extract dilution analysis and static head-space samples, J. Agric. Food Chem., 1997, 45, 4, 1329-1332, https://doi.org/10.1021/jf960650f . [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]

Binder and Flath, 1989
Binder, R.G.; Flath, R.A., Volatile components of pineapple guava, J. Agric. Food Chem., 1989, 37, 3, 734-736, https://doi.org/10.1021/jf00087a034 . [all data]

De Pooter and Schamp, 1987
De Pooter, H.L.; Schamp, N.M., The Essential Oil of Mentha X villosa nm. alopecuroides, Flavour Fragr. J., 1987, 2, 4, 163-165, https://doi.org/10.1002/ffj.2730020405 . [all data]

Shibamoto, 1987
Shibamoto, T., Retention Indices in Essential Oil Analysis in Capillary Gas Chromatography in Essential Oil Analysis, Sandra, P.; Bicchi, C., ed(s)., Hutchig Verlag, Heidelberg, New York, 1987, 259-274. [all data]


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