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1H-Cycloprop[e]azulen-7-ol, decahydro-1,1,7-trimethyl-4-methylene-, [1ar-(1a«alpha»,4a«alpha»,7«beta»,7a«beta»,7b«alpha»)]-


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 BP-20BP-20HP-InnowaxBP-20RTX-Wax
Column length (m) 50.50.30.50.60.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.220.220.250.220.22
Phase thickness (mum) 0.250.250.250.250.25
Tstart (C) 60.60.60.60.60.
Tend (C) 220.220.280.220.230.
Heat rate (K/min) 2.2.3.2.2.
Initial hold (min)      
Final hold (min) 20.20. 20.35.
I 2120.2133.2140.2132.2103.
ReferenceBoti, Koukoua, et al., 2007Castilho, Liu, et al., 2007Kundakovic, Fokialakis, et al., 2007Lesueur, de Rocca Serra, et al., 2007Paolini J., Costa J., et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase RTX-WaxHP-InnowaxPolyethylene GlycolHP-WaxBP-20
Column length (m) 60.30.30.30.50.
Carrier gas HeHeN2N2He
Substrate      
Column diameter (mm) 0.220.250.320.250.22
Phase thickness (mum) 0.250.50.250.250.25
Tstart (C) 60.60.50.60.60.
Tend (C) 230.260.230.220.220.
Heat rate (K/min) 2.3.2.5.2.
Initial hold (min)   10.10. 
Final hold (min) 35. 15. 20.
I 2103.2121.2138.2136.2124.
ReferencePaolini, Muselli, et al., 2007Saroglou, Marin, et al., 2007Dob, Dahmane, et al., 2006Flamini, Tebano, et al., 2006Gonny, Cavaleiro, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxSupelcowax-10DB-WaxInnowaxRTX-Wax
Column length (m) 60.30.60.50.60.
Carrier gas HeHeN2HeHe
Substrate      
Column diameter (mm) 0.320.20.250.250.22
Phase thickness (mum) 0.250.20.250.250.25
Tstart (C) 35.70.70.50.60.
Tend (C) 220.220.230.220.230.
Heat rate (K/min) 3.3.2.2.2.
Initial hold (min)   2.3. 
Final hold (min)  15.20.20.35.
I 2131.2113.2133.2127.2103.
ReferencePala-Paul, Copeland, et al., 2006Pinto, Pina-Vaz, et al., 2006Choi, 2005Lee, Lee, et al., 2005Paolini, Costa, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase BP-20DB-WaxDB-WaxSupelcowax-10HP-Wax
Column length (m) 50.30.60.30.30.
Carrier gas HeN2HeHeN2
Substrate      
Column diameter (mm) 0.220.250.320.20.25
Phase thickness (mum) 0.250.250.250.20.25
Tstart (C) 60.60.32.70.60.
Tend (C) 230.220.220.220.240.
Heat rate (K/min) 2.5.3.3.3.
Initial hold (min)  10.   
Final hold (min) 35.  15. 
I 2124.2151.2132.2113.2106.
ReferenceVellutini, Baldovini, et al., 2005Bertoli, Menichini, et al., 2004Brophy, Goldsack, et al., 2004Cavaleiro, Salgueiro, et al., 2004Flamini, Cioni, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-WaxHP-InnowaxDB-WaxHP-WaxDB-Wax
Column length (m) 30.30.30.30.60.
Carrier gas N2HeHeN2N2
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (mum) 0.250.50.250.250.25
Tstart (C) 60.60.40.60.70.
Tend (C) 220.260.200.220.230.
Heat rate (K/min) 5.3.4.5.2.
Initial hold (min) 10. 5.10.2.
Final hold (min)   20. 20.
I 2133.2135.2106.2133.2129.
ReferenceFlamini, Luigi Cioni, et al., 2004Grujic-Jovanovic, Skaltsa, et al., 2004Yu, Kim, et al., 2004Bader, Caponi, et al., 2003Choi, 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase RTX-WaxHP-InnowaxHP-InnowaxRTX-WaxBP-20
Column length (m) 30.30.30.30.50.
Carrier gas HeHeHeHe 
Substrate      
Column diameter (mm) 0.250.250.250.250.22
Phase thickness (mum) 0.250.50.50.250.25
Tstart (C) 45.60.60.45.60.
Tend (C) 250.260.260.250.220.
Heat rate (K/min) 3.3.3.3.2.
Initial hold (min) 6.  6. 
Final hold (min)    10.20.
I 2092.2121.2151.2089.2113.
ReferenceShellie, Marriott, et al., 2003Skaltsa, Demetzos, et al., 2003Tzakou, Couladis, et al., 2003Mondello, Zappia, et al., 2002Pintore, Usai, et al., 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-InnowaxHP-InnowaxBP-20DB-WaxDB-Wax
Column length (m) 30.30.50.60.60.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.220.500.53
Phase thickness (mum) 0.500.500.251.01.0
Tstart (C) 60.60.60.60.50.
Tend (C) 260.260.220.225.220.
Heat rate (K/min) 3.3.2.3.3.
Initial hold (min)      
Final hold (min) 10.    
I 2149.2151.2115.2136.2136.
ReferenceCouladis, Baziou, et al., 2001Couladis, Tzakou, et al., 2001Lota, Serra, et al., 2001Brophy, Goldsack, et al., 2000Brophy, Goldsack, et al., 2000, 2
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxCP-Wax 52CBDB-WaxDB-WaxDB-Wax
Column length (m) 60.25.60.30.60.
Carrier gas He N2HeHe
Substrate      
Column diameter (mm) 0.530.250.250.250.53
Phase thickness (mum) 1.00.150.250.25 
Tstart (C) 50.40.70.40.50.
Tend (C) 220.220.230.200.220.
Heat rate (K/min) 3.3.2.2.3.
Initial hold (min)  5.2.5. 
Final hold (min)   20.20. 
I 2136.2097.2121.2109.2136.
ReferenceBrophy, Goldsack, et al., 2000, 3Chagonda, Makanda, et al., 2000Choi and Sawamura, 2000Kim, Thuy, et al., 2000Brophy, Goldsack, et al., 1999
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxCarbowax 20MDB-WaxSP-1000DB-Wax
Column length (m) 60.25.60.85.60.
Carrier gas HeH2HeHeHe
Substrate      
Column diameter (mm) 0.530.250.320.50.32
Phase thickness (mum)  0.3   
Tstart (C) 50.50.35.60.65.
Tend (C) 220.200.220.225.225.
Heat rate (K/min) 3.3.3.3.3.
Initial hold (min)  1.   
Final hold (min)  20.   
I 2136.2130.2132.2136.2136.
ReferenceBrophy, Goldsack, et al., 1999, 2Bicchi, Rubiolo, et al., 1998Brophy, Forster, et al., 1998Brophy, Forster, et al., 1998, 2Brophy, Goldsack, et al., 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxCarbowax 20MDB-WaxSP-1000BP-20
Column length (m) 60.25.60.85.50.
Carrier gas He HeHeHe
Substrate      
Column diameter (mm) 0.320.250.320.50.22
Phase thickness (mum)  0.3  0.25
Tstart (C) 35.50.65.65.60.
Tend (C) 220.200.225.225.230.
Heat rate (K/min) 3.3.3.3.2.
Initial hold (min)  1.   
Final hold (min)  20.  35.
I 2136.2130.2136.2136.2114.
ReferenceBrophy, Goldsack, et al., 1998, 2Bicchi, Fresia, et al., 1997Brophy, Goldsack, et al., 1997Brophy, Goldsack, et al., 1997, 2Mariotti, Costa, et al., 1997
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillary
Active phase BP-20CP-Wax 52CBCarbowax 20MDB-Wax
Column length (m) 50.50.50.30.
Carrier gas HeH2HeHe
Substrate     
Column diameter (mm) 0.220.230.20.32
Phase thickness (mum) 0.250.120.20.5
Tstart (C) 60.50.30.40.
Tend (C) 230.200.170.220.
Heat rate (K/min) 2.1.54.3.
Initial hold (min)  10.2. 
Final hold (min) 35.10.20. 
I 2119.2145.2103.2121.
ReferenceMariotti, Tomi, et al., 1997Chyau, Mau, et al., 1996Píry, Príbela, et al., 1995Le Quere and Latrasse, 1990
Comment MSDC-RI MSDC-RI MSDC-RI 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.

Boti, Koukoua, et al., 2007
Boti, J.B.; Koukoua, G.; N'Guessan, T.Y.; Casanova, J., Chemical variability of Conyza sumatrensis and Microglossa pyrifolia from Côte d'Ivoire, Flavour Fragr. J., 2007, 22, 1, 27-31, https://doi.org/10.1002/ffj.1743 . [all data]

Castilho, Liu, et al., 2007
Castilho, P.; Liu, K.; Rodrigues, A.I.; Feio, S.; Tomi, F.; Casanova, J., Composition and antimicrobial activity of the essential oil of Clinopodium ascendens (Jordan) Sampaio from Madeira, Flavour Fragr. J., 2007, 22, 2, 139-144, https://doi.org/10.1002/ffj.1771 . [all data]

Kundakovic, Fokialakis, et al., 2007
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Lesueur, de Rocca Serra, et al., 2007
Lesueur, D.; de Rocca Serra, D.; Bighelli, A.; Hoi, T.M.; Ban, N.K.; Thai, T.H.; Casanova, J., Chemical composition and antibacterial activity of the essential oil of Michelia foveolata Merryll ex Dandy from Vietnam, Flavour Fragr. J., 2007, 22, 4, 317-321, https://doi.org/10.1002/ffj.1799 . [all data]

Paolini J., Costa J., et al., 2007
Paolini J.; Costa J.; Bernardini A.F., Analysis of the essential oil from the roots of Eupatorium cannabinum subsp corsicum (L.) by GC, GC-MS and C-13-NMR, Phytochem. Anal., 2007, 18, 3, 235-244, https://doi.org/10.1002/pca.977 . [all data]

Paolini, Muselli, et al., 2007
Paolini, J.; Muselli, A.; Bernardini, A.-F.; Bighelli, A.; Casanova, J.; Costa, J., Thymol derivatives from essential oil of Doronicum corsicum L., Flavour Fragr. J., 2007, 22, 6, 479-487, https://doi.org/10.1002/ffj.1824 . [all data]

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]

Dob, Dahmane, et al., 2006
Dob, T.; Dahmane, D.; Agli, M.; Chelghoum, C., Essential oil composition of Lavandula stoechas from Algeria, Pharm. Biol., 2006, 44, 1, 60-64, https://doi.org/10.1080/13880200500496421 . [all data]

Flamini, Tebano, et al., 2006
Flamini, G.; Tebano, M.; Cioni, P.L.; Bagci, Y.; Dural, H.; Ertugrul, K.; Uysal, T.; Savran, A., A multivariate statistical approach to Centaurea classification using essential oil composition data of some species from Turkey, Pl. Syst. Evol., 2006, 261, 1-4, 217-228, https://doi.org/10.1007/s00606-006-0448-3 . [all data]

Gonny, Cavaleiro, et al., 2006
Gonny, M.; Cavaleiro, C.; Salgueiro, L.; Casanova, J., Analysis of Juniperus communis subsp. alpina needle, berry, wood and root oils by combination of GC, GC/MS and 13C-NMR, Flavour Fragr. J., 2006, 21, 1, 99-106, https://doi.org/10.1002/ffj.1527 . [all data]

Pala-Paul, Copeland, et al., 2006
Pala-Paul, J.; Copeland, L.M.; Brophy, J.J.; Goldsack, R.J., Essential oil composition of two variants of Prostanthera lasianthos Labill. from Australia, Biochem. Syst. Ecol., 2006, 34, 1, 48-55, https://doi.org/10.1016/j.bse.2005.04.003 . [all data]

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Choi, 2005
Choi, H.-S., Characteristic odor components of kumquat (Fortunella japonica Swingle) peel oil, J. Agric. Food Chem., 2005, 53, 5, 1642-1647, https://doi.org/10.1021/jf040324x . [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]

Paolini, Costa, et al., 2005
Paolini, J.; Costa, J.; Bernardini, A., Analysis of the essential oil from aerial parts of Eupatorium cannabinum subsp. corsicum (L.) by gas chromatography with electron impact and chemical ionization mass spectrometry, J. Chromatogr. A, 2005, 1076, 1-2, 170-178, https://doi.org/10.1016/j.chroma.2005.03.131 . [all data]

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Vellutini, M.; Baldovini, N.; de Rocca Serra, D. Tomi; Casanova, J., «beta»-Cyclolavandulyl and «beta»-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]

Bertoli, Menichini, et al., 2004
Bertoli, A.; Menichini, F.; Noccioli, C.; Morelli, I.; Pistelli, L., Volatile constituents of different organs of Psoralea bituminosa L., Flavour Fragr. J., 2004, 19, 2, 166-171, https://doi.org/10.1002/ffj.1315 . [all data]

Brophy, Goldsack, et al., 2004
Brophy, J.J.; Goldsack, R.J.; O'Sullivan, W., Chemistry of the Australian gymnosperms. Part VII. The leaf oils of the genus Actinostrobus, Biochem. Syst. Ecol., 2004, 32, 10, 867-873, https://doi.org/10.1016/j.bse.2004.05.001 . [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]

Flamini, Cioni, et al., 2004
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Flamini, Luigi Cioni, et al., 2004
Flamini, G.; Luigi Cioni, P.; Morelli, I., Essential oils of Galeopsis pubescens and G. tetrahit from Tuscany (Italy), Flavour Fragr. J., 2004, 19, 4, 327-329, https://doi.org/10.1002/ffj.1307 . [all data]

Grujic-Jovanovic, Skaltsa, et al., 2004
Grujic-Jovanovic, S.; Skaltsa, H.D.; Marin, P.; Sokovic, M., Composition and antibacterial activity of the essential oil of six Stachys species from Serbia, Flavour Fragr. J., 2004, 19, 2, 139-144, https://doi.org/10.1002/ffj.1275 . [all data]

Yu, Kim, et al., 2004
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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]

Choi, 2003
Choi, H.-S., Character impact odorants of Citrus Hallabong [(C. unshiu Marcov × C. sinensis Osbeck) × C. reticulata Blanco] cold-pressed peel oil, J. Agric. Food Chem., 2003, 51, 9, 2687-2692, https://doi.org/10.1021/jf021069o . [all data]

Shellie, Marriott, et al., 2003
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Skaltsa, Demetzos, et al., 2003
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Tzakou, Couladis, et al., 2003
Tzakou, O.; Couladis, M.; Slavkovska, V.; Mimica-Dukic, N.; Jancic, R., The essential oil composition of Salvia brachyodon Vandas, Flavour Fragr. J., 2003, 18, 1, 2-4, https://doi.org/10.1002/ffj.1132 . [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]

Pintore, Usai, et al., 2002
Pintore, G.; Usai, M.; Bradesi, P.; Juliano, C.; Boatto, G.; Tomi, F.; Chessa, M.; Cerri, R.; Casanova, J., Chemical composition and antimicrobial activity of Rosmarinus officinalis L. oils from Sardinia and Corsica, Flavour Fragr. J., 2002, 17, 1, 15-19, https://doi.org/10.1002/ffj.1022 . [all data]

Couladis, Baziou, et al., 2001
Couladis, M.; Baziou, P.; Petrakis, P.V.; Harvala, C., Essential oil composition of Hypericum perfoliatum L. growing in different locations in Greece, Flavour Fragr. J., 2001, 16, 3, 204-206, https://doi.org/10.1002/ffj.979 . [all data]

Couladis, Tzakou, et al., 2001
Couladis, M.; Tzakou, O.; Stojanovic, D.; Mimica-Dukic, N.; Jancic, R., The essential oil composition of Salvia argentea L., Flavour Fragr. J., 2001, 16, 3, 227-229, https://doi.org/10.1002/ffj.989 . [all data]

Lota, Serra, et al., 2001
Lota, M.-L.; Serra, D.R.; Jacquemond, C.; Tomi, F.; Casanova, J., Chemical variability of peel and leaf essential oils of sour orange, Flavour Fragr. J., 2001, 16, 2, 89-96, https://doi.org/10.1002/1099-1026(200103/04)16:2<89::AID-FFJ950>3.0.CO;2-D . [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]

Choi and Sawamura, 2000
Choi, H.-S.; Sawamura, M., Composition of the essential oil of Citrus tamurana Hort. ex Tanaka (Hyuganatsu), J. Agric. Food Chem., 2000, 48, 10, 4868-4873, https://doi.org/10.1021/jf000651e . [all data]

Kim, Thuy, et al., 2000
Kim, T.H.; Thuy, N.T.; Shin, J.H.; Baek, H.H.; Lee, H.J., Aroma-active compounds of miniature beefsteakplant (Mosla dianthera Maxim.), J. Agric. Food Chem., 2000, 48, 7, 2877-2881, https://doi.org/10.1021/jf000219x . [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]

Bicchi, Rubiolo, et al., 1998
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Notes

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