Benzene, 1-(1,5-dimethyl-4-hexenyl)-4-methyl-


Normal alkane RI, 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-WaxRTX-WaxRTX-WaxCarbowaxCP-Wax 52CB
Column length (m) 60.60.60.60.30.
Carrier gas HeliumHeliumHeHeHe
Substrate      
Column diameter (mm) 0.220.220.220.20.32
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 60.60.60.60.40.
Tend (C) 230.230.230.250.220.
Heat rate (K/min) 2.2.2.2.3.
Initial hold (min)    8.1.
Final hold (min) 30.30.35.15.2.
I 1769.1750.1763.1768.1782.
ReferenceDib, Djabou, et al., 2010Museli, Pau, et al., 2009Paolini, Tomi, et al., 2008Ferhat, Tigrine-Kordjani, et al., 2007Hymete, Rohloff, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase TC-WaxDB-WaxSupelcowax-10HP-20MSupelcowax-10
Column length (m) 60.60.30.50.30.
Carrier gas HeHeHeHe 
Substrate      
Column diameter (mm) 0.250.320.250.20.25
Phase thickness (μm) 0.250.250.250.10.25
Tstart (C) 60.70.50.60.40.
Tend (C) 240.220.250.220.210.
Heat rate (K/min) 2.4.2.2.2.
Initial hold (min)     2.
Final hold (min)    30.33.
I 1769.1773.1755.1738.1777.
ReferenceMiyazawa and Tamura, 2007Pala-Paul, Brophy, et al., 2007Raal, Orav, et al., 2007Filippi, Lanfranchi, et al., 2006Garneau F.X., Collin G., et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP-Wax 52CBBP-20HP-20MCP-WaxTC-FFAP
Column length (m) 30.50.50.30.60.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.320.220.20.320.25
Phase thickness (μm) 0.250.250.20.250.4
Tstart (C) 60.60.70.40.60.
Tend (C) 220.220.180.180.220.
Heat rate (K/min) 3.32.4.5.3.
Initial hold (min) 7. 4.2. 
Final hold (min) 3.20.15. 30.
I 1743.1762.1748.1756.1780.
ReferenceHymete, Rohloff, et al., 2006Lesueur, Ban, et al., 2006Mastelic, Jerkovic, et al., 2006Ka, Choi, et al., 2005Kurose and Yatagai, 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Supelcowax-10Innowax FSCHP-20MCP-Wax 52CBTC-Wax
Column length (m) 60.60.50.60.60.
Carrier gas HeHeliumHeHe 
Substrate      
Column diameter (mm) 0.20.250.20.250.25
Phase thickness (μm) 0.2 0.20.25 
Tstart (C) 60.60.70.40.80.
Tend (C) 200.220.180.220.240.
Heat rate (K/min) 4.4.4.3.3.
Initial hold (min)  10.4.  
Final hold (min) 40. 10.  
I 1741.1786.1740.1769.1767.
ReferenceGauvin, Ravaomanarivo, et al., 2004Lourens, Reddy, et al., 2004Juteau, Jerkovic, et al., 2003Mau, Lai, et al., 2003Miyazawa, Yamafuji, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-InnowaxHP-InnowaxInnowaxTC-WaxInnowax
Column length (m) 50.50.60.60.60.
Carrier gas   HeHeHe
Substrate      
Column diameter (mm) 0.20.20.250.250.25
Phase thickness (μm) 0.20.2  0.25
Tstart (C) 50.50.60.80.60.
Tend (C) 220.220.220.250.220.
Heat rate (K/min) 4.4.4.4.4.
Initial hold (min) 5.5.10. 10.
Final hold (min)   10.47.10.
I 1775.1775.1786.1784.1786.
ReferenceStashenko, Jaramillo, et al., 2003Stashenko, Jaramillo, et al., 2003Suleimenov, Atazharova, et al., 2003Miyazawa, Kurose, et al., 2001Baser, Özek, et al., 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxDB-WaxDB-WaxDB-Wax
Column length (m) 60.60.60.60.30.
Carrier gas  HeHeN2He
Substrate      
Column diameter (mm) 0.250.250.25 0.32
Phase thickness (μm) 0.250.250.250.25 
Tstart (C) 30.40.60.60.60.
Tend (C) 170.200.240.220.250.
Heat rate (K/min) 2.2.4.5.3.
Initial hold (min) 4.2.   
Final hold (min) 30.    
I 1769.1770.1780.1777.1774.
ReferenceButtery, Light, et al., 2000Umano, Hagi, et al., 2000Ngassoum, Yonkeu, et al., 1999Weyerstahl, Marschall, et al., 1999Abreu and Noronha, 1997
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxTC-WaxCarbowax 20MDB-WaxDB-Wax
Column length (m) 60.60.45.60.60.
Carrier gas He Hydrogen H2
Substrate      
Column diameter (mm) 0.320.250.320.320.25
Phase thickness (μm) 0.50 1.0 0.25
Tstart (C) 50.80.60.50.50.
Tend (C) 250.240.200.230.238.
Heat rate (K/min) 8.3.2.4.4.
Initial hold (min) 1.5.5.  
Final hold (min) 6.  10.13.
I 1781.1784.1757.1766.1781.
ReferenceSagrero-Nieves and Bartley, 1996Shuichi, Masazumi, et al., 1996Kollmannsberger, Nitz, et al., 1992Binder, Turner, et al., 1990van Beek, Kleis, et al., 1989
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillary
Active phase Supelcowax-10Supelcowax-10
Column length (m) 30.30.
Carrier gas  He
Substrate   
Column diameter (mm)   
Phase thickness (μm)   
Tstart (C) 50.50.
Tend (C) 240.240.
Heat rate (K/min) 4.4.
Initial hold (min) 2.2.
Final hold (min) 10.10.
I 1777.1777.
ReferenceRamaswami, Briscese, et al., 1988Ramaswami, Briscese, et al., 1986
Comment MSDC-RI MSDC-RI

References

Go To: Top, Normal alkane RI, 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.

Dib, Djabou, et al., 2010
Dib, M.ElA.; Djabou, N.; Desjobert, L.-M.; Allali, H.; Tabti, B.; Muselli, A.; Costa, J., Characterization of volatile compounds of Daucus crinitus Desf. headspace solid phase microextraction as alternative technique to hydrodistillation, Chem, Centr. J., 2010, 4, 16, 1-15. [all data]

Museli, Pau, et al., 2009
Museli, A.; Pau, M.; Desjobert, J.-M.; Foddai, M.; Usai, M.; Costa, J., Volatile constituents of Achllea ligustica All. by HS-SPME/GC/GC-MS. Comparison with essential oils obtained by hydrodistillation from Corsica and Sardinia, Chromatographia, 2009, 69, 5/6, 575-585, https://doi.org/10.1365/s10337-008-0939-1 . [all data]

Paolini, Tomi, et al., 2008
Paolini, J.; Tomi, P.; Bernardini, A.-F.; Bradesi, P.; Casanova, J.; Kaloustian, J., Detailed analysis of the essential oil from Cistus albidus L. by combination of GC/RI, GC/MS and 13C-NMR spectroscopy, N.Z. J. Agric. Res., 2008, 22, 14, 1270-1278. [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]

Hymete, Rohloff, et al., 2007
Hymete, A.; Rohloff, J.; Iversen, T.-H.; Kjosen, H., Volatile constituents of the roots of Echinops kebericho Mesfin, Flavour Fragr. J., 2007, 22, 1, 35-38, https://doi.org/10.1002/ffj.1746 . [all data]

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Miyazawa, M.; Tamura, N., Components of the essential oil from sprouts of Polygonum hydropiper L. ('Benitade'), Flavour Fragr. J., 2007, 22, 3, 188-190, https://doi.org/10.1002/ffj.1779 . [all data]

Pala-Paul, Brophy, et al., 2007
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Raal, Orav, et al., 2007
Raal, A.; Orav, A.; Arak, E.; Kailas, T.; Müürisepp, M., Variation in the composition of the essential oil of Valeriana officinalis L. roots from Estonia, Proc. Est. Acad. Sci. Chem., 2007, 56, 2, 67-74. [all data]

Filippi, Lanfranchi, et al., 2006
Filippi, J.-J.; Lanfranchi, D.-A.; Prado, S.; Baldovini, N.; Meierhenrich, U.J., Composition, Enantiomeric Distribution, and Antibacterial Activity of the Essential Oil of Achillea ligustica All. from Corsica, J. Agric. Food Chem., 2006, 54, 17, 6308-6313, https://doi.org/10.1021/jf060752y . [all data]

Garneau F.X., Collin G., et al., 2006
Garneau F.X.; Collin G.; Gagnon H.; Jean F.I.; Strobl H.; Pichette A., The essential oil composition of Devil's Club, Oplopanax horridus J. E. Smith Miq., Flavour Fragr. J., 2006, 21, 5, 792-794, https://doi.org/10.1002/ffj.1716 . [all data]

Hymete, Rohloff, et al., 2006
Hymete, A.; Rohloff, J.; Iversen, T.-H., Essential oil from seeds and husks of Aframomum corrorima from Ethiopia, Flavour Fragr. J., 2006, 21, 4, 642-644, https://doi.org/10.1002/ffj.1634 . [all data]

Lesueur, Ban, et al., 2006
Lesueur, D.; Ban, N.K.; Bighelli, A.; Muselli, A.; Casanova, J., Analysis of the root oil of Fokienia hodginsii (Dunn) Henry et Thomas (Cupressaceae) by GC, GC-MS and 13C-NMR, Flavour Fragr. J., 2006, 21, 1, 171-174, https://doi.org/10.1002/ffj.1557 . [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]

Ka, Choi, et al., 2005
Ka, M.-H.; Choi, E.H.; Chun, H.-S.; Lee, K.-G., Antioxidative Activity of Volatile Extracts Isolated from Angelica tenuissimae Roots, Peppermint Leaves, Pine Needles, and Sweet Flag Leaves, J. Agric. Food Chem., 2005, 53, 10, 4124-4129, https://doi.org/10.1021/jf047932x . [all data]

Kurose and Yatagai, 2005
Kurose, K.; Yatagai, M., Components of the essential oils of Azadirachta indica A. Juss, Azadirachta siamensis Velton, and Azadirachta excelsa (Jack) Jacobs and their comparison, J. Wood Sci., 2005, 51, 2, 185-188, https://doi.org/10.1007/s10086-004-0640-4 . [all data]

Gauvin, Ravaomanarivo, et al., 2004
Gauvin, A.; Ravaomanarivo, H.; Smadja, J., Comparative analysis by gas chromatography?mass spectrometry of the essential oils from bark and leaves of Cedrelopsis grevei Baill, an aromatic and medicinal plant from Madagascar, J. Chromatogr. A, 2004, 1029, 1-2, 279-282, https://doi.org/10.1016/j.chroma.2003.12.012 . [all data]

Lourens, Reddy, et al., 2004
Lourens, A.C.U.; Reddy, D.; Baser, K.H.C.; Viljoen, A.M.; Van Vuuren, S.F., In vitro Biological Activity and Essential Oil Composition of Four Indigenous South Africal Helichrysum Species, J. Ethnopharmacol., 2004, 95, 2-3, 253-258, https://doi.org/10.1016/j.jep.2004.07.027 . [all data]

Juteau, Jerkovic, et al., 2003
Juteau, F.; Jerkovic, I.; Masotti, V.; Milos, M.; Mastelic, J.; Bessière, J.-M.; Viano, J., Composition and antimicrobial activity of the essential oil of Artemisia absinthium from Croatia and France, Planta Medica, 2003, 69, 2, 158-161, https://doi.org/10.1055/s-2003-37714 . [all data]

Mau, Lai, et al., 2003
Mau, J.-L.; Lai, E.Y.C.; Wang, N.-P.; Chen, C.-C.; Chang, C.-H.; Chyau, C.-C., Composition and antioxidant activity of the essential oil from Curcuma zedoaria, Food Chem., 2003, 82, 4, 583-591, https://doi.org/10.1016/S0308-8146(03)00014-1 . [all data]

Miyazawa, Yamafuji, et al., 2003
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Stashenko, Jaramillo, et al., 2003
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Suleimenov, Atazharova, et al., 2003
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Miyazawa, Kurose, et al., 2001
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Baser, Özek, et al., 2000
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Buttery, Light, et al., 2000
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Umano, Hagi, et al., 2000
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Ngassoum, Yonkeu, et al., 1999
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Weyerstahl, Marschall, et al., 1999
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Abreu and Noronha, 1997
Abreu, P.M.; Noronha, R.G., Volatile constituents of the rhizomes of Aframomum alboviolaceum (Ridley) K. Schum. from Guinea-Bissau, Flavour Fragr. J., 1997, 12, 2, 79-83, https://doi.org/10.1002/(SICI)1099-1026(199703)12:2<79::AID-FFJ617>3.0.CO;2-7 . [all data]

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Shuichi, Masazumi, et al., 1996
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Kollmannsberger, Nitz, et al., 1992
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Binder, Turner, et al., 1990
Binder, R.G.; Turner, C.E.; Flath, R.A., Volatile components of purple starthistle, J. Agric. Food Chem., 1990, 38, 4, 1053-1055, https://doi.org/10.1021/jf00094a030 . [all data]

van Beek, Kleis, et al., 1989
van Beek, T.A.; Kleis, R.; Posthumus, M.A.; van Veldhuizen, A., Essential oil of Amyris balsamifera, Phytochemistry, 1989, 28, 7, 1909-1911, https://doi.org/10.1016/S0031-9422(00)97885-3 . [all data]

Ramaswami, Briscese, et al., 1988
Ramaswami, S.K.; Briscese, P.; Gargiullo, R.J.; von Geldern, T., Sesquiterpene hydrocarbons: from mass confusion to orderly line-up in Flavors and Fragrances: A World Perspective. Proceedings of the 10th International Congress of Essential Oils, Fragrances and Flavors, Lawrence,B.M.; Mookherjee,B.D.; Willis,B.J., ed(s)., Elsevier, New York, 1988, 951-980. [all data]

Ramaswami, Briscese, et al., 1986
Ramaswami, S.K.; Briscese, P.; Gargiullo, R.J.; von Geldern, T., Sesquiterpene hydrocarbons: from mass confusion to orderly line-up in Flavors and Fragrances: A World Perspective, Lawrence,B.M.; Mookherjee,B.D.; Willis,B.J., ed(s)., Proceedings of the 10th International Congress of Essential Oils, Fragrances, and Flavors, Washington, DC, 1986, 951-959. [all data]


Notes

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