Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-4a,8-dimethyl-2-(1-methylethenyl)-, [2R-(2α,4aα,8aβ)]-


Van Den Dool and Kratz 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 HP-InnowaxBP-20BP-20BP-20DB-Wax
Column length (m) 30.50.50.50.60.
Carrier gas He HeHeHe
Substrate      
Column diameter (mm) 0.250.220.220.220.32
Phase thickness (μm) 0.50.250.250.250.25
Tstart (C) 60.60.60.60.35.
Tend (C) 260.220.220.220.220.
Heat rate (K/min) 3.2.2.2.3.
Initial hold (min)      
Final hold (min)  20.20.20. 
I 1748.1719.1719.1719.1725.
ReferenceSaroglou, Marin, et al., 2007Blanc, Bradesi, et al., 2006Duquesnoy, Dinh, et al., 2006Gonny, Cavaleiro, et al., 2006Pala-Paul, Copeland, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase RTX-WaxBP-20BP-20DB-WaxInnowax
Column length (m) 60.50.50.30.50.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.220.220.220.250.25
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 60.60.60.40.50.
Tend (C) 230.220.220.250.220.
Heat rate (K/min) 2.2.2.3.2.
Initial hold (min)     3.
Final hold (min) 35.20.20.20.20.
I 1691.1724.1718.1703.1713.
ReferencePaolini J., Desjobert J.M., et al., 2006Boti J.B., Koukoua G., et al., 2005Ferrari, Tomi, et al., 2005Gancel, Ollitrault, et al., 2005Lee, Lee, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase BP-20Supelcowax-10BP-20DB-WaxBP-20
Column length (m) 50.30.50.30.50.
Carrier gas HeHe HeHe
Substrate      
Column diameter (mm) 0.220.20.220.320.22
Phase thickness (μm) 0.250.20.250.50.25
Tstart (C) 60.70.60.40.60.
Tend (C) 230.220.220.240.220.
Heat rate (K/min) 2.3.2.5.2.
Initial hold (min)    5. 
Final hold (min) 35.15.20. 20.
I 1720.1717.1721.1724.1713.
ReferenceVellutini, Baldovini, et al., 2005Cavaleiro, Salgueiro, et al., 2004Gonny, Bradesi, et al., 2004Rega, Fournier, et al., 2004Tam, Thuam, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-WaxBP-20DB-WaxRTX-WaxDB-Wax
Column length (m) 30.50.30.60.60.
Carrier gas N2HeHeHeH2
Substrate      
Column diameter (mm) 0.250.220.250.220.32
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 60.60.40.60.40.
Tend (C) 220.230.250.230.245.
Heat rate (K/min) 5.2.3.2.1.5
Initial hold (min) 10.    
Final hold (min)  35.20.45.20.
I 1742.1724.1689.1716.1703.
ReferenceBader, Caponi, et al., 2003Bianchini, Tomi, et al., 2003Brat, Rega, et al., 2003Cavalli, Tomi, et al., 2003Gancel, Ollitrault, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-InnowaxRTX-WaxAT-WaxAT-WaxDB-Wax
Column length (m) 30.30.60.60.60.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.320.320.50
Phase thickness (μm) 0.50.250.250.251.0
Tstart (C) 60.45.65.65.60.
Tend (C) 260.250.250.250.225.
Heat rate (K/min) 3.3.2.2.3.
Initial hold (min)  6.10.10. 
Final hold (min)  10.60.60. 
I 1748.1693.1699.1699.1725.
ReferenceSkaltsa, Demetzos, et al., 2003Mondello, Zappia, et al., 2002Pino, Marbot, et al., 2002Pino, Marbot, et al., 2001Brophy, Goldsack, et al., 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxCP-Wax 52CBDB-WaxDB-Wax
Column length (m) 60.60.25.60.60.
Carrier gas HeHe HeHe
Substrate      
Column diameter (mm) 0.530.530.250.530.53
Phase thickness (μm) 1.01.00.15  
Tstart (C) 50.50.40.50.50.
Tend (C) 220.220.220.220.220.
Heat rate (K/min) 3.3.3.3.3.
Initial hold (min)   5.  
Final hold (min)      
I 1725.1725.1730.1725.1725.
ReferenceBrophy, Goldsack, et al., 2000, 2Brophy, Goldsack, et al., 2000, 3Chagonda, Makanda, et al., 2000Brophy, Goldsack, et al., 1999Brophy, Goldsack, et al., 1999, 2
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase BP-20InnowaxCarbowax 20MDB-WaxSP-1000
Column length (m) 50.60.25.60.85.
Carrier gas HeHeH2HeHe
Substrate      
Column diameter (mm) 0.220.250.250.320.5
Phase thickness (μm) 0.250.250.3  
Tstart (C) 60.50.50.35.60.
Tend (C) 220.180.200.220.225.
Heat rate (K/min) 2.2.53.3.3.
Initial hold (min)  5.1.  
Final hold (min) 20. 20.  
I 1716.1744.1716.1731.1725.
ReferenceMazzoni, Tomi, et al., 1999Stashenko, Cervantes, et al., 1999Bicchi, Rubiolo, et al., 1998Brophy, Forster, et al., 1998Brophy, Forster, et al., 1998, 2
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxCarbowax 20MDB-WaxSP-1000
Column length (m) 60.60.25.60.85.
Carrier gas HeHe HeHe
Substrate      
Column diameter (mm) 0.320.320.250.320.5
Phase thickness (μm)   0.3  
Tstart (C) 65.35.50.65.65.
Tend (C) 225.220.200.225.225.
Heat rate (K/min) 3.3.3.3.3.
Initial hold (min)   1.  
Final hold (min)   20.  
I 1725.1725.1716.1725.1725.
ReferenceBrophy, Goldsack, et al., 1998Brophy, Goldsack, et al., 1998, 2Bicchi, Fresia, et al., 1997Brophy, Goldsack, et al., 1997Brophy, Goldsack, et al., 1997, 2
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type Capillary
Active phase DB-Wax
Column length (m) 60.
Carrier gas He
Substrate  
Column diameter (mm) 0.20
Phase thickness (μm) 0.20
Tstart (C) 70.
Tend (C) 180.
Heat rate (K/min) 2.
Initial hold (min) 5.
Final hold (min)  
I 1723.
ReferenceStashenko, Wiame, et al., 1995
Comment MSDC-RI

References

Go To: Top, Van Den Dool and Kratz 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.

Saroglou, Marin, et al., 2007
Saroglou, V.; Marin, P.D.; Rancic, A.; Veljic, M.; Skaltsa, H., Composition and antimicrobial activity of the essential oil of six Hypericum species from Serbia, Biochem. Syst. Ecol., 2007, 35, 3, 146-152, https://doi.org/10.1016/j.bse.2006.09.009 . [all data]

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Paolini J., Desjobert J.M., et al., 2006
Paolini J.; Desjobert J.M.; Costa J.; Bernardini A.F.; Castellini C.B.; Cioni P.L.; Flamini G.; Morelli I., Composition of essential oils of Helichrysum italicum (Roth) G. Don fil subsp. italicum from Tuscan archipelago islands, Flavour Fragr. J., 2006, 21, 5, 805-808, https://doi.org/10.1002/ffj.1726 . [all data]

Boti J.B., Koukoua G., et al., 2005
Boti J.B.; Koukoua G.; N'Guessan T.Y.; Muselli A.; Bernardini A.F.; Casanova J., Composition of the leaf, stem bark and root bark oils of Isolona cooperi investigated by GC (retention index), GC-MS and C-13-NMR spectroscopy, Phytochem. Anal., 2005, 16, 5, 357-363, https://doi.org/10.1002/pca.857 . [all data]

Ferrari, Tomi, et al., 2005
Ferrari, B.; Tomi, F.; Casanova, J., Composition and chemical variability of Ferula communis essential oil from Corsica, Flavour Fragr. J., 2005, 20, 2, 180-185, https://doi.org/10.1002/ffj.1405 . [all data]

Gancel, Ollitrault, et al., 2005
Gancel, A.-L.; Ollitrault, P.; Froelicher, Y.; Tomi, F.; Jacquemond, C.; Luro, F.; Brillouet, J.-M., Leaf volatile compounds of six citrus somatic allotetraploid hybrids originating from various combinations of lime, lemon, citron, sweet orange, and grapefruit, J. Agric. Food Chem., 2005, 53, 6, 2224-2230, https://doi.org/10.1021/jf048315b . [all data]

Lee, Lee, et al., 2005
Lee, J.-G.; Lee, C.-G.; Kwag, J.-J.; Buglass, A.J.; Lee, G.-H., Determination of optimum conditions for the analysis of volatile components in pine needles by double-shot pyrolysis-gas chromatography-mass spectrometry, J. Chromatogr. A, 2005, 1089, 1-2, 227-234, https://doi.org/10.1016/j.chroma.2005.06.060 . [all data]

Vellutini, Baldovini, et al., 2005
Vellutini, M.; Baldovini, N.; de Rocca Serra, D. Tomi; Casanova, J., β-Cyclolavandulyl and β-isocyclolavandulyl esters from Peucedanum paniculatum L., an endemic species to Corsica, Phytochemistry, 2005, 66, 16, 1956-1962, https://doi.org/10.1016/j.phytochem.2005.07.001 . [all data]

Cavaleiro, Salgueiro, et al., 2004
Cavaleiro, C.; Salgueiro, L.R.; Miguel, M.G.; da Cunha, A.P., Analysis by gas chromatography?mass spectrometry of the volatile components of Teucrium lusitanicum and Teucrium algarbiensis, J. Chromatogr. A, 2004, 1033, 1, 187-190, https://doi.org/10.1016/j.chroma.2004.01.005 . [all data]

Gonny, Bradesi, et al., 2004
Gonny, M.; Bradesi, P.; Casanova, J., Identification of the components of the essential oil from wild Corsican Daucus carota L. using 13C-NMR spectroscopy, Flavour Fragr. J., 2004, 19, 5, 424-433, https://doi.org/10.1002/ffj.1330 . [all data]

Rega, Fournier, et al., 2004
Rega, B.; Fournier, N.; Nicklaus, S.; Guichard, E., Role of pulp in flavor release and sensory perception in orange juice, J. Agric. Food Chem., 2004, 52, 13, 4204-4212, https://doi.org/10.1021/jf035361n . [all data]

Tam, Thuam, et al., 2004
Tam, N.T.; Thuam, D.T.; Bighelli, A.; Castola, V.; Muselli, A.; Richomme, P.; Casanova, J., Baeckea frutescens leaf oil from Vietnam: composition and chemical variability, Flavour Fragr. J., 2004, 19, 3, 217-220, https://doi.org/10.1002/ffj.1281 . [all data]

Bader, Caponi, et al., 2003
Bader, A.; Caponi, C.; Cioni, P.L.; Flamini, G.; Morelli, I., Composition of the essential oil of Ballota undulata, B. nigra ssp. foetida and B. saxatilis, Flavour Fragr. J., 2003, 18, 6, 502-504, https://doi.org/10.1002/ffj.1257 . [all data]

Bianchini, Tomi, et al., 2003
Bianchini, A.; Tomi, P.; Bernardini, A.F.; Morelli, I.; Flamini, G.; Cioni, P.L.; Usai, M.; Marchetti, M., A comparative study of volatile constituents of two Helichrysum italicum (Roth) Guss. Don Fil subspecies growing in Corsica (France), Tuscany and Sardinia (Italy), Flavour Fragr. J., 2003, 18, 6, 487-491, https://doi.org/10.1002/ffj.1231 . [all data]

Brat, Rega, et al., 2003
Brat, P.; Rega, B.; Alter, P.; Reynes, M.; Brillouet, J.-M., Distribution of volatile compounds in the pulp, cloud, and serum of freshly squeezed orange juice, J. Agric. Food Chem., 2003, 51, 11, 3442-3447, https://doi.org/10.1021/jf026226y . [all data]

Cavalli, Tomi, et al., 2003
Cavalli, J.-F.; Tomi, F.; Bernardini, A.-F.; Casanova, J., Composition and chemical variability of the bark oil of Cedrelopsis grevei H. Baillon from Madagascar, Flavour Fragr. J., 2003, 18, 6, 532-538, https://doi.org/10.1002/ffj.1263 . [all data]

Gancel, Ollitrault, et al., 2003
Gancel, A.-L.; Ollitrault, P.; Froelicher, Y.; Tomi, F.; Jacquemond, C.; Luro, F.; Brillouet, J.-M., Leaf volatile compounds of seven citrus somatic tetraploid hybrids sharing willow leaf mandarin (Citrus deliciosa Ten.) as their common parent, J. Agric. Food Chem., 2003, 51, 20, 6006-6013, https://doi.org/10.1021/jf0345090 . [all data]

Skaltsa, Demetzos, et al., 2003
Skaltsa, H.D.; Demetzos, C.; Lazari, D.; Sokovic, M., Essential oil analysis and antimicrobial activity of eight Stachys species from Greece, Phytochemistry, 2003, 64, 3, 743-752, https://doi.org/10.1016/S0031-9422(03)00386-8 . [all data]

Mondello, Zappia, et al., 2002
Mondello, L.; Zappia, G.; Cotroneo, A.; Bonaccorsi, I.; Chowdhury, J.U.; Yusuf, M.; Dugo, G., Studies on the essential oil-bearing plants of Bangladesh. Part VIII. Composition of some Ocimum oils O. basilicum L. var. purpurascens; O. sanctum L. green; O. sanctum L. purple; O. americanum L., citral type; O. americanum L., camphor type, Flavour Fragr. J., 2002, 17, 5, 335-340, https://doi.org/10.1002/ffj.1108 . [all data]

Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Vázquez, C., Characterization of volatile in Cosa Rican Guava [Psidium friedrichsthalianum (Berg) Niedenzu] fruit, J. Agric. Food Chem., 2002, 50, 21, 6023-6026, https://doi.org/10.1021/jf011456i . [all data]

Pino, Marbot, et al., 2001
Pino, J.A.; Marbot, R.; Vázquez, C., Characterization of volatiles in strawberry guava (Psidium cattleianum Sabine) fruit, J. Agric. Food Chem., 2001, 49, 12, 5883-5887, https://doi.org/10.1021/jf010414r . [all data]

Brophy, Goldsack, et al., 2000
Brophy, J.J.; Goldsack, R.J.; Forster, P.I., Essential oils of the genus Lophostemon (Myrtaceae), Flavour Fragr. J., 2000, 15, 1, 17-20, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<17::AID-FFJ859>3.0.CO;2-D . [all data]

Brophy, Goldsack, et al., 2000, 2
Brophy, J.; Goldsack, R.J.; Bean, A.R.; Forster, P.I.; Lepschi, B.J., Leaf essential oils of the genus Leptospermum (Myrtaceae) in eastern Australia. Part 6. Leptospermum polygalifolium and allies, Flavour Fragr. J., 2000, 15, 4, 271-277, https://doi.org/10.1002/1099-1026(200007/08)15:4<271::AID-FFJ910>3.0.CO;2-E . [all data]

Brophy, Goldsack, et al., 2000, 3
Brophy, J.J.; Goldsack, R.J.; Punruckvong, A.; Bean, A.R.; Forster, P.I.; Lepschi, B.J.; Doran, J.C.; Rozefelds, A.C., Leaf essential oils of the genus Leptospermum (Myrtaceae) in eastern Australia. Part 7. Leptospermum petersonii, L. liversidgei and allies, Flavour Fragr. J., 2000, 15, 5, 342-351, https://doi.org/10.1002/1099-1026(200009/10)15:5<342::AID-FFJ924>3.0.CO;2-V . [all data]

Chagonda, Makanda, et al., 2000
Chagonda, L.S.; Makanda, C.D.; Chalchat, J.-C., The essential oils of Ocimum canum Sims (basilic camphor) and Ocimum urticifolia Roth from Zimbabwe, Flavour Fragr. J., 2000, 15, 1, 23-26, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<23::AID-FFJ866>3.0.CO;2-W . [all data]

Brophy, Goldsack, et al., 1999
Brophy, J.J.; Goldsack, R.J.; Punruckvong, A.; Forster, P.I., The leaf essential oils of Pilidiostigma (Myrtaceae), Flavour Fragr. J., 1999, 14, 2, 143-146, https://doi.org/10.1002/(SICI)1099-1026(199903/04)14:2<143::AID-FFJ798>3.0.CO;2-P . [all data]

Brophy, Goldsack, et al., 1999, 2
Brophy, J.J.; Goldsack, R.J.; Bean, A.R.; Forster, P.I.; Lepschi, B.J., Leaf essential oils of the genus Leptospermum (Myrtaceae) in eastern Australia. Part 5. Leptospermum continentale and allies, Flavour Fragr. J., 1999, 14, 2, 98-104, https://doi.org/10.1002/(SICI)1099-1026(199903/04)14:2<98::AID-FFJ797>3.0.CO;2-V . [all data]

Mazzoni, Tomi, et al., 1999
Mazzoni, V.; Tomi, F.; Casanova, J., A daucane-type sesquiterpene from Faucus carota seed oil, Flavour Fragr. J., 1999, 14, 5, 268-272, https://doi.org/10.1002/(SICI)1099-1026(199909/10)14:5<268::AID-FFJ823>3.0.CO;2-Z . [all data]

Stashenko, Cervantes, et al., 1999
Stashenko, E.E.; Cervantes, M.; Combariza, Y.; Fuentes, H.; Martínez, J.R., HRGC/FID and HRGC/MSD analysis of the secondary metabolites obtained by different extraction methods from Lepechinia schiedeana, an in vitro evaluation of its antioxidant activity, J. Hi. Res. Chromatogr., 1999, 22, 6, 343-349, https://doi.org/10.1002/(SICI)1521-4168(19990601)22:6<343::AID-JHRC343>3.0.CO;2-J . [all data]

Bicchi, Rubiolo, et al., 1998
Bicchi, C.; Rubiolo, P.; Marschall, H.; Weyerstahl, P.; Laurent, R., Constituents of Artemisia roxburghiana Besser essential oil, Flavour Fragr. J., 1998, 13, 1, 40-46, https://doi.org/10.1002/(SICI)1099-1026(199801/02)13:1<40::AID-FFJ688>3.0.CO;2-Z . [all data]

Brophy, Forster, et al., 1998
Brophy, J.J.; Forster, P.I.; Goldsack, R.J., Esssential oils of some Australian monimiaceae, Flavour Fragr. J., 1998, 13, 4, 273-276, https://doi.org/10.1002/(SICI)1099-1026(1998070)13:4<273::AID-FFJ745>3.0.CO;2-O . [all data]

Brophy, Forster, et al., 1998, 2
Brophy, J.J.; Forster, P.I.; Goldsack, R.J., The essential oils of three unusual Eucalypts: Eucalyptus curtisii, E. rubiginosa and E. tenuipes (Myrtaceae), Flavour Fragr. J., 1998, 13, 2, 87-89, https://doi.org/10.1002/(SICI)1099-1026(199803/04)13:2<87::AID-FFJ699>3.0.CO;2-Y . [all data]

Brophy, Goldsack, et al., 1998
Brophy, J.J.; Goldsack, R.J.; Forster, P.I.; Bean, A.R.; Clarkson, J.R.; Lepschi, B.J., Leaf essential oils of the genus Leptospermum (Myrtaceae) in Eastern Australia. Part 1. Leptospermum brachyandrum and Leptospermum pallidum groups, Flavour Fragr. J., 1998, 13, 1, 19-25, https://doi.org/10.1002/(SICI)1099-1026(199801/02)13:1<19::AID-FFJ679>3.0.CO;2-9 . [all data]

Brophy, Goldsack, et al., 1998, 2
Brophy, J.J.; Goldsack, R.J.; Bean, A.R.; Forster, P.I.; Lepschi, B.J., Leaf essential oils of the genus Leptospermum (Myrtaceae) in eastern Australia. Part 2. Leptospermum blakelyi and allies, Flavour Fragr. J., 1998, 13, 5, 353-358, https://doi.org/10.1002/(SICI)1099-1026(1998090)13:5<353::AID-FFJ759>3.0.CO;2-1 . [all data]

Bicchi, Fresia, et al., 1997
Bicchi, C.; Fresia, M.; Rubiolo, P.; Monti, D.; Franz, C.; Goehler, I., Constituents of Tagetes lucida Cav. ssp. lucida essential oil, Flavour Fragr. J., 1997, 12, 1, 47-52, https://doi.org/10.1002/(SICI)1099-1026(199701)12:1<47::AID-FFJ610>3.0.CO;2-7 . [all data]

Brophy, Goldsack, et al., 1997
Brophy, J.J.; Goldsack, R.J.; Forster, P.I., The essential oils of the Australian species of Rhodomyrtus (Myrtaceae), Flavour Fragr. J., 1997, 12, 2, 103-108, https://doi.org/10.1002/(SICI)1099-1026(199703)12:2<103::AID-FFJ621>3.0.CO;2-B . [all data]

Brophy, Goldsack, et al., 1997, 2
Brophy, J.J.; Goldsack, R.J.; Forster, P.I., The leaf essential oils of the Australian species of Rhodamnia (Myrtaceae), Flavour Fragr. J., 1997, 12, 5, 345-354, https://doi.org/10.1002/(SICI)1099-1026(199709/10)12:5<345::AID-FFJ658>3.0.CO;2-6 . [all data]

Stashenko, Wiame, et al., 1995
Stashenko, E.; Wiame, H.; Dassy, S.; Martinez, J.R.; Shibamoto, T., Catalytic transformation of copaiba (Copaifera officinalis) oil over zeolite ZSM-5, J. Hi. Res. Chromatogr., 1995, 18, 1, 54-58, https://doi.org/10.1002/jhrc.1240180112 . [all data]


Notes

Go To: Top, Van Den Dool and Kratz RI, polar column, temperature ramp, References