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Normal alkane 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 DB-5HP-5HP-5 MSVF-5MSDB-5
Column length (m) 30.30.30.30.30.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (mum) 0.250.250.250.250.25
Tstart (C) 60.50.70.40.60.
Tend (C) 240.300.290.220.220.
Heat rate (K/min) 3.50.5.2.3.
Initial hold (min)  5. 1. 
Final hold (min)  5.10.30. 
I 1426.1429.1433.1438.1426.
ReferenceKarimi, Farmani, et al., 2011Bi Kouame, Bedi, et al., 2010Radulovic, Blagojevic, et al., 2010Fernandes, de Pinho, et al., 2009Bastos, Ishimoto, et al., 2008
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5HP-5 MSDB-1HP-5HP-5MS
Column length (m) 25.30.30.30.30.
Carrier gas NitrogenHeliumHeHeHe
Substrate      
Column diameter (mm) 0.220.250.250.250.25
Phase thickness (mum) 0.250.250.25 0.25
Tstart (C) 50.50.30.70.60.
Tend (C) 300.230.210.240.250.
Heat rate (K/min) 6.54.5.5.2.
Initial hold (min) 2.4.  8.
Final hold (min) 7.10.  15.
I 1422.1430.1408.1432.1422.
ReferenceChieng, Assim, et al., 2008Forero, Quijano, et al., 2008Kumazawa, Itobe, et al., 2008Asekun, Olusegun, et al., 2007Ferhat, Tigrine-Kordjani, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase ZB-5HP-5DB-5MSHP-101NB-30
Column length (m) 30.30.30.25.30.
Carrier gas  HeliumHeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.20.2
Phase thickness (mum) 0.250.250.250.20.25
Tstart (C) 60.40.60.70.50.
Tend (C) 220.260.280.200.250.
Heat rate (K/min) 4.4.3.3.2.
Initial hold (min) 5.  2. 
Final hold (min) 20. 30.15. 
I 1424.1424.1412.1445.1405.
ReferenceMohottalage, Tabacchi, et al., 2007Ristic, Krivokuca-Dokic, et al., 2007Maronigiu, Piras, et al., 2006Mastelic, Jerkovic, et al., 2006Orav, Raal, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5DB-5HP-5 MSHP-5MSHP-1
Column length (m) 30.30.30.30.50.
Carrier gas H2HeHeliumHeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.2
Phase thickness (mum) 0.250.250.250.250.5
Tstart (C) 50.60.60.60.60.
Tend (C) 280.200.250.280.250.
Heat rate (K/min) 4.2.2.3.2.
Initial hold (min) 2. 8.  
Final hold (min) 10.60.15. 60.
I 1426.1430.1422.1399.1402.
ReferencePino, Sauri-Duch, et al., 2006Rout, Naik, et al., 2006Tigrine-Kordiani, Meklati, et al., 2006Tzakou, Said, et al., 2006Bendimerad and Bendiab, 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5HP-5DB-5CP Sil 5 CBDB-5
Column length (m) 30.60.30.30.30.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.320.250.250.25
Phase thickness (mum) 0.250.250.250.250.25
Tstart (C) 60.30.60.40.40.
Tend (C) 240.260.220.220.260.
Heat rate (K/min) 3.2.4.4.2.
Initial hold (min)  2.4.1.5.
Final hold (min)  28.  20.
I 1434.1432.81432.1413.1426.
ReferenceChaverri and Cicció, 2005Leffingwell and Alford, 2005Morteza-Semnani and Saeedi, 2005Rohloff and Bones, 2005Senatore, Apostolides Arnold, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5MSDB-5DB-5DB-1DB-5
Column length (m) 30.30.50.50.30.
Carrier gas HeHeliumHeliumN2He
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (mum) 0.25  0.250.25
Tstart (C) 60.60.60.95.60.
Tend (C) 280.240.240.240.240.
Heat rate (K/min) 3.2.2.4.3.
Initial hold (min)      
Final hold (min) 30.999.999.  
I 1401.1418.1418.1416.1427.
ReferenceMarongiu, Piras, et al., 2004Miyazawa, Fuhita, et al., 2004Miyazawa, Fujita, et al., 2004Palá-Paúl, Velasco-Negueruela, et al., 2004Tellez, Khan, et al., 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Optima-1Optima-1BP-5HP-1SE-30
Column length (m) 25.25.50.25.25.
Carrier gas HeHeHeH2He
Substrate      
Column diameter (mm) 0.200.200.320.320.2
Phase thickness (mum) 0.250.251.0.17 
Tstart (C) 50.50.40.40.60.
Tend (C) 250.250.190.260.180.
Heat rate (K/min) 3.3.2.3.3.
Initial hold (min) 3.3.5.5.10.
Final hold (min)      
I 1407.1408.1434.1399.1400.
ReferenceBrun, Bessière, et al., 2001de Beck, Bessière, et al., 2000Lopez, Ferreira, et al., 1999Lopes, Koketsu, et al., 1999Jantan, Ahmad, et al., 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1DB-1OV-101OV-101DB-5 MS
Column length (m) 60.60.50.50.30.
Carrier gas  HeN2N2Helium
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (mum)      
Tstart (C) 30.30.80.80.50.
Tend (C) 200.200.200.200.250.
Heat rate (K/min) 4.4.2.2.4.
Initial hold (min) 25.25.   
Final hold (min) 20.20.   
I 1404.1404.1407.1407.1422.
ReferenceButtery, Ling, et al., 1997Buttery and Ling, 1995Tamura, Nakamoto, et al., 1995Tamura, Nakamoto, et al., 1995Gomez and Ledbetter, 1994
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1DB-1OV-101OV-101DB-1
Column length (m) 30.30.50.50.60.
Carrier gas HeHeNitrogenNitrogen 
Substrate      
Column diameter (mm) 0.250.250.250.250.32
Phase thickness (mum) 0.250.25   
Tstart (C) 50.50.70.80.50.
Tend (C) 240.240.200.200.250.
Heat rate (K/min) 5.5.2.2.4.
Initial hold (min) 3.3.  0.1
Final hold (min)     5.
I 1411.1414.1407.1407.1403.
ReferenceShiota, 1993Shiota, 1993Sugisawa, Nakamura, et al., 1990Sugisawa, Nakamura, et al., 1990Flath, Mon, et al., 1983
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI

References

Go To: Top, Normal alkane 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.

Karimi, Farmani, et al., 2011
Karimi, H.; Farmani, A.; Nourizadeh, H., A performance comparison of modern statistical technique for molecular descriptor selection and retention prediction of essential oil from leaves, Amer. J. Sci. Res., 2011, 38, 36-40. [all data]

Bi Kouame, Bedi, et al., 2010
Bi Kouame, F.P.; Bedi, G.; Koffi, A.M.; Chalchat, J.C.; Guessan, T.Y.N., Volatile constituents from leaves of Morinda morindoides (Rubiaceae): a medicinal plant from the Ivory Coast, The Open Nat. Prod. J., 2010, 3, 1, 6-9, https://doi.org/10.2174/1874848101003010006 . [all data]

Radulovic, Blagojevic, et al., 2010
Radulovic, N.; Blagojevic, P.; Palic, R., Comparative study of the leaf volatiles of Arctostaphylos uva-ursi (L.) Spreng. and Vaccinium vitis-idaea L. (Ericaceae), Molecules, 2010, 15, 9, 6168-6185, https://doi.org/10.3390/molecules15096168 . [all data]

Fernandes, de Pinho, et al., 2009
Fernandes, F.; de Pinho, P.G.; Valentao, P.; Pereira, J.A.; Andrade, P.B., Volatile constituents throughout Brassica oleracea L. var. acephala Germination, J. Agric. Food Chem., 2009, 57, 15, 6795-6802, https://doi.org/10.1021/jf901532m . [all data]

Bastos, Ishimoto, et al., 2008
Bastos, D.H.M.; Ishimoto, E.Y.; Marques, O.M.; Ferri, A.F.; Torres, E.A.F.S., Essential Oil and Antioxidant Activity of Green Mate and Mate Tea (Ilex paraguariensis) Infusions, 2008, retrieved from http://www.aseanfood.info/Articles/11016488.pdf. [all data]

Chieng, Assim, et al., 2008
Chieng, T.C.; Assim, Z.B.; Fasihuddin, B.A., Toxicity and antitermite activities of the essential oils from Piper sarmentosum, The Malaysian J. Anal. Sci., 2008, 12, 1, 234-239. [all data]

Forero, Quijano, et al., 2008
Forero, M.D.; Quijano, C.E.; Pino, J.A., Volatile compounds of Chile pepper (Capsicum annuum L. var. glabriusculum) at two ripening stages, Flavour Fragr. J., 2008, 24, 1, 25-30, https://doi.org/10.1002/ffj.1913 . [all data]

Kumazawa, Itobe, et al., 2008
Kumazawa, K.; Itobe, T.; Nishimura, O.; Hamaguchi, T., A new approach to estimate the in-mouth release characteristics of odorants in chewing gum, Food Science and Technology Research, 2008, 14, 3, 269-276, https://doi.org/10.3136/fstr.14.269 . [all data]

Asekun, Olusegun, et al., 2007
Asekun, O.T.; Olusegun, E.; Adebola, O., The volatile constituents of the leaves and flowers of Kigelia africana Benth., Flavour Fragr. J., 2007, 22, 1, 21-23, https://doi.org/10.1002/ffj.1723 . [all data]

Ferhat, Tigrine-Kordjani, et al., 2007
Ferhat, M.A.; Tigrine-Kordjani, N.; Chemat, S.; Meklati, B.Y.; Chemat, F., Rapid Extraction of Volatile Compounds Using a New Simultaneous Microwave Distillation: Solvent Extraction Device, Chromatographia, 2007, 65, 3-4, 217-222, https://doi.org/10.1365/s10337-006-0130-5 . [all data]

Mohottalage, Tabacchi, et al., 2007
Mohottalage, S.; Tabacchi, R.; Guerin, P.M., Components from Sri Lankan Piper betle L. leaf oil and their analogues showing toxicity against the housefly, Musca domestica, Flavour Fragr. J., 2007, 22, 2, 130-138, https://doi.org/10.1002/ffj.1770 . [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]

Maronigiu, Piras, et al., 2006
Maronigiu, B.; Piras, A.; Porcedda, S.; Tuveri, E., Extraction of Santalum album and Boswellia carterii Birdw. volatile oil by supercritical carbon dioxide: influence of some process parameters, Flavour Fragr. J., 2006, 21, 4, 718-724, https://doi.org/10.1002/ffj.1718 . [all data]

Mastelic, Jerkovic, et al., 2006
Mastelic, J.; Jerkovic, I.; Mesic, M., Volatile constituents from flowers, leaves, bark and wood of Prunus mahaleb L., Flavour Fragr. J., 2006, 21, 2, 306-313, https://doi.org/10.1002/ffj.1596 . [all data]

Orav, Raal, et al., 2006
Orav, A.; Raal, A.; Arak, E.; Müürisepp, M.; Kailas, T., Composition of the essential oil of Artemisia absinthium L. of different geographical origin, Proc. Est. Acad. Sci. Chem., 2006, 55, 3, 155-165. [all data]

Pino, Sauri-Duch, et al., 2006
Pino, J.; Sauri-Duch, E.; Marbot, R., Changes in volatile compounds of Habanero chile pepper (Capsicum chinense Jack. cv. Habanero) at two ripening stages, Food Chem., 2006, 94, 3, 394-398, https://doi.org/10.1016/j.foodchem.2004.11.040 . [all data]

Rout, Naik, et al., 2006
Rout, P.K.; Naik, S.N.; Rao, Y.R., Composition of the concrete, absolute, headspace and essential oil of the flowers of Michelia champaca Linn., Flavour Fragr. J., 2006, 21, 6, 906-911, https://doi.org/10.1002/ffj.1742 . [all data]

Tigrine-Kordiani, Meklati, et al., 2006
Tigrine-Kordiani, N.; Meklati, B.Y.; Chemat, F., Abalysis by gas chromatography - mass spectrometry of the essential oil of Zygophyllum album L., an aromatic and medicinal plant growing in Algeria, Int. J. Aromatherapy, 2006, 16, 3-4, 187-191, https://doi.org/10.1016/j.ijat.2006.09.008 . [all data]

Tzakou, Said, et al., 2006
Tzakou, O.; Said, A.; Farag, A.; Rashed, K., Volatile constituents of Ailanthus excelsa Roxb., Flavour Fragr. J., 2006, 21, 6, 899-901, https://doi.org/10.1002/ffj.1739 . [all data]

Bendimerad and Bendiab, 2005
Bendimerad, N.; Bendiab, S.A.T., Composition and antibacterial activity of Pseudocytisus integrifolius (Salisb.) essential oil from Algeria, J. Agric. Food Chem., 2005, 53, 8, 2947-2952, https://doi.org/10.1021/jf047937u . [all data]

Chaverri and Cicció, 2005
Chaverri, C.; Cicció, J.F., Essential oil of trees of the genus Ocotea (Lauraceae) in Costa Rica. I. Ocotea brenesii, Rev. Biol. Trop., 2005, 53, 3-4, 431-436, https://doi.org/10.15517/rbt.v53i3-4.14611 . [all data]

Leffingwell and Alford, 2005
Leffingwell, J.C.; Alford, E.D., Volatile constituents of Perique tobacco, Electron. J. Environ. Agric. Food Chem., 2005, 4, 2, 899-915. [all data]

Morteza-Semnani and Saeedi, 2005
Morteza-Semnani, K.; Saeedi, M., The essential oil composition of Phlomis bruguieri Desf. from Iran, Flavour Fragr. J., 2005, 20, 3, 344-346, https://doi.org/10.1002/ffj.1459 . [all data]

Rohloff and Bones, 2005
Rohloff, J.; Bones, A.M., Volatile profiling of Arabidopsis thaliana - Putative olfactory compounds in plant communication, Phytochemistry, 2005, 66, 16, 1941-1955, https://doi.org/10.1016/j.phytochem.2005.06.021 . [all data]

Senatore, Apostolides Arnold, et al., 2005
Senatore, F.; Apostolides Arnold, N.; Bruno, M., Volatile components of Centaurea eryngioides Lam. and Centaurea liberica Trev. var. hermonis Boiss. Lam., two Asteraceae growing wild in Lebanon, Nat. Prod. Res., 2005, 19, 8, 749-754, https://doi.org/10.1080/14786410412331302136 . [all data]

Marongiu, Piras, et al., 2004
Marongiu, B.; Piras, A.; Porcedda, S., Comparative analysis of the oil and supercritical CO2 extract of Elettaria cardamomum (L.) maton, J. Agric. Food Chem., 2004, 52, 20, 6278-6282, https://doi.org/10.1021/jf034819i . [all data]

Miyazawa, Fuhita, et al., 2004
Miyazawa, M.; Fuhita, T.; Yamafuji, C.; Matsui, M.; Kasahara, N.; Takagi, Y.; Ishikawa, Y., Chemical composition of volatile oil from the roots of Periploca sepium, J. Oleo Sci., 2004, 53, 10, 511-513, https://doi.org/10.5650/jos.53.511 . [all data]

Miyazawa, Fujita, et al., 2004
Miyazawa, M.; Fujita, T.; Yamafuji, C.; Matsui, M.; Kasahara, N.; Takagi, Y.; Ishikawa, Y., Chemical composition of volatile oil from the roots of Periploca sepium, J. Oleo Sci., 2004, 53, 11, 511-513, https://doi.org/10.5650/jos.53.511 . [all data]

Palá-Paúl, Velasco-Negueruela, et al., 2004
Palá-Paúl, J.; Velasco-Negueruela, A.; Pérez-Alonso, M.J.; Maqueda, J.; Sanz, J., Volatile oil constituents from different parts of Cachrys trifida L., J. Essent. Oil Res., 2004, 16, 4, 347-349, https://doi.org/10.1080/10412905.2004.9698738 . [all data]

Tellez, Khan, et al., 2002
Tellez, M.R.; Khan, I.A.; Kobaisy, M.; Schrader, K.K.; Dayan, F.E.; Osbrink, W., Composition of the essential oil of Lepidium meyenii (Walp.), Phytochemistry, 2002, 61, 2, 149-155, https://doi.org/10.1016/S0031-9422(02)00208-X . [all data]

Brun, Bessière, et al., 2001
Brun, G.; Bessière, J.-M.; Dijoux-Franca, M.-G.; David, B.; Mariotte, A.-M., Volatile components of Catharanthus roseus (L.) G. Don (Apocynaceae), Flavour Fragr. J., 2001, 16, 2, 116-119, https://doi.org/10.1002/ffj.958 . [all data]

de Beck, Bessière, et al., 2000
de Beck, P.O.; Bessière, J.M.; Dijoux-Franca, M.-G.; David, B.; Mariotte, A.-M., Volatile constituents from leaves and wood of Leea guineensis G. Don (Leeaceae) from Cameroon, Flavour Fragr. J., 2000, 15, 3, 182-185, https://doi.org/10.1002/1099-1026(200005/06)15:3<182::AID-FFJ888>3.0.CO;2-X . [all data]

Lopez, Ferreira, et al., 1999
Lopez, R.; Ferreira, V.; Hernandez, P.; Cacho, J.F., Identification of impact odorants of young red wines made with Merlot, Cabernet Sauvignon and Grenache grape varieties: a comparative study, J. Sci. Food Agric., 1999, 79, 11, 1461-1467, https://doi.org/10.1002/(SICI)1097-0010(199908)79:11<1461::AID-JSFA388>3.0.CO;2-K . [all data]

Lopes, Koketsu, et al., 1999
Lopes, D.; Koketsu, M.; Carauta, J.P.P.; de Oliveira, R.R.; Kaplan, M.A.C., Chemical composition of Pourouma guianensis Aublet essential oils, Flavour Fragr. J., 1999, 14, 4, 233-236, https://doi.org/10.1002/(SICI)1099-1026(199907/08)14:4<233::AID-FFJ813>3.0.CO;2-L . [all data]

Jantan, Ahmad, et al., 1998
Jantan, I.; Ahmad, A.S.; Bakar, S.A.A.; Ahmad, A.R.; Trockenbrodt, M.; Chak, C.V., Constituents of the essential oil of Baeckea frutescens L. from Malaysia, Flavour Fragr. J., 1998, 13, 4, 245-247, https://doi.org/10.1002/(SICI)1099-1026(1998070)13:4<245::AID-FFJ736>3.0.CO;2-J . [all data]

Buttery, Ling, et al., 1997
Buttery, R.G.; Ling, L.C.; Stern, D.J., Studies on popcorn aroma and flavor volatiles, J. Agric. Food Chem., 1997, 45, 3, 837-843, https://doi.org/10.1021/jf9604807 . [all data]

Buttery and Ling, 1995
Buttery, R.G.; Ling, L.C., Volatile flavor components of corn tortillas and related products, J. Agric. Food Chem., 1995, 43, 7, 1878-1882, https://doi.org/10.1021/jf00055a023 . [all data]

Tamura, Nakamoto, et al., 1995
Tamura, H.; Nakamoto, H.; Yang, R.-H.; Sugisawa, H., Characteristic aroma compounds in green algae (Ulva pertusa) volatiles, Nippon Shokuhin Kagaku Kogaku Kaishi, 1995, 42, 11, 887-891, https://doi.org/10.3136/nskkk.42.887 . [all data]

Gomez and Ledbetter, 1994
Gomez, E.; Ledbetter, C.A., Comparative study of the aromatic profiles of two different plum species: Prunus salicina Lindl and Prunus simonii L., J. Sci. Food Agric., 1994, 65, 1, 111-115, https://doi.org/10.1002/jsfa.2740650116 . [all data]

Shiota, 1993
Shiota, H., New esteric components in the volatiles of banana fruit (Musa sapientum L.), J. Agric. Food Chem., 1993, 41, 11, 2056-2062, https://doi.org/10.1021/jf00035a046 . [all data]

Sugisawa, Nakamura, et al., 1990
Sugisawa, H.; Nakamura, K.; Tamura, H., The aroma profile of the volatile in marine green algae (Ulva pertusa), Food Reviews International, 1990, 6, 4, 573-589, https://doi.org/10.1080/87559129009540893 . [all data]

Flath, Mon, et al., 1983
Flath, R.A.; Mon, T.R.; Lorenz, G.; Whitten, C.J.; Mackley, J.W., Volatile components of Acacia sp. blossoms, J. Agric. Food Chem., 1983, 31, 6, 1167-1170, https://doi.org/10.1021/jf00120a008 . [all data]


Notes

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