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Bicyclo[3.1.0]hex-3-en-2-one, 4-methyl-1-(1-methylethyl)-


Gas Chromatography

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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

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillarySF-96130.1160.Kepner, Ellison, et al., 1974Column length: 152. m; Column diameter: 0.8 mm

Kovats' RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-51168.Adams and Nguyen, 200530. m/0.26 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 246. C
CapillarySE-541171.Adams, 200030. m/0.26 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 246. C
CapillarySE-541171.Adams, 2000, 230. m/0.26 mm/0.25 «mu»m, 3. K/min; Tstart: 60. C; Tend: 246. C

Kovats' RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryOV-11146.El-Shazly, Dorai, et al., 200230. m/0.25 mm/0.25 «mu»m, He; Program: 44C(4min) => 3C/min => 74C => 6C/min => 134C => 12C/min => 312C

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryCarbowax 20M130.1676.Kepner, Ellison, et al., 1974Column length: 152. m; Column diameter: 0.8 mm

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-5MS1169.Benkaci-Ali, Baaliouamer, et al., 200730. m/0.25 mm/0.25 «mu»m, He, 60. C @ 8. min, 2. K/min, 250. C @ 30. min
CapillaryHP-5MS1165.Saroglou, Arfan, et al., 200730. m/0.25 mm/0.25 «mu»m, He, 60. C @ 5. min, 4. K/min; Tend: 280. C
CapillaryDB-11165.Kuiate, Bessière, et al., 200630. m/0.25 mm/0.25 «mu»m, N2, 4. K/min; Tstart: 50. C; Tend: 220. C
CapillaryHP-51184.Zhao J.Y., Liu J.M., et al., 200630. m/0.25 mm/0.25 «mu»m, He, 60. C @ 2. min, 10. K/min, 250. C @ 10. min
CapillaryDB-11181.Agnaniet, Makani, et al., 200530. m/0.25 mm/0.25 «mu»m, N2, 5. K/min; Tstart: 50. C; Tend: 200. C
CapillaryRTX-11151.Cozzani, Muselli, et al., 200560. m/0.22 mm/0.25 «mu»m, 2. K/min, 220. C @ 20. min; Tstart: 60. C
CapillaryHP-51172.Macchioni, Cioni, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryHP-51173.Flamini, Cioni, et al., 200230. m/0.25 mm/0.25 «mu»m, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C
CapillaryCP Sil 5 CB1142.Pino, Marbot, et al., 200225. m/0.25 mm/0.25 «mu»m, N2, 60. C @ 6. min, 4. K/min; Tend: 280. C

Van Den Dool and Kratz RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryHP-5MS1174.3Andriamaharavo, 201430. m/0.25 mm/0.25 «mu»m, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)
CapillaryBPX-51187.Cardeal, da Silva, et al., 200630. m/0.25 mm/0.25 «mu»m; Program: 35C(5min) => 3C/min => 210C => 40C/min => 240C (4min)
Capillary5 % Phenyl methyl siloxane1171.Sacchetti, Maietti, et al., 200530. m/0.32 mm/0.15 «mu»m, He; Program: 45C => 1C/min => 100C => 5C/min => 250C (10min)

Van Den Dool and Kratz RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryRTX-Wax1616.Cozzani, Muselli, et al., 200560. m/0.22 mm/0.25 «mu»m, 2. K/min, 220. C @ 20. min; Tstart: 60. C
CapillaryDB-Wax1667.Le Quere and Latrasse, 199030. m/0.32 mm/0.5 «mu»m, He, 3. K/min; Tstart: 40. C; Tend: 220. C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-51171.Bos, Woerdenbag, et al., 200730. m/0.26 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryHP-51168.Cheraif, Ben Jannet, et al., 200730. m/0.25 mm/0.25 «mu»m, N2, 50. C @ 1. min, 5. K/min, 240. C @ 4. min
CapillaryDB-51171.Elfami, Bos, et al., 200730. m/0.26 mm/0.25 «mu»m, Helium, 3. K/min; Tstart: 60. C; Tend: 290. C
CapillaryHP-51177.Oliveira, Leitão, et al., 200725. m/0.2 mm/0.33 «mu»m, H2, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryDB-51171.Elfami, Komar, et al., 200630. m/0.26 mm/0.25 «mu»m, Helium, 3. K/min; Tstart: 60. C; Tend: 290. C
CapillaryHP-51170.Ghannadi and Zolfaghari, 200330. m/0.25 mm/0.25 «mu»m, He, 4. K/min; Tstart: 60. C; Tend: 275. C
CapillaryHP-11144.Valette, Fernandez, et al., 200350. m/0.2 mm/0.5 «mu»m, He, 2. K/min, 220. C @ 40. min; Tstart: 60. C
CapillaryCP Sil 8 CB1161.Juteau, Masotti, et al., 200230. m/0.25 mm/0.25 «mu»m, He, 50. C @ 2. min, 3. K/min; Tend: 220. C
CapillaryDB-51144.Porta, Porcedda, et al., 199930. m/0.25 mm/0.25 «mu»m, He, 40. C @ 5. min, 2. K/min, 250. C @ 60. min
CapillaryHP-51168.Collin, Deslauriers, et al., 19932. K/min; Tstart: 40. C; Tend: 210. C
CapillaryHP-51169.Collin, Deslauriers, et al., 19932. K/min; Tstart: 40. C; Tend: 210. C

Normal alkane RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryDB-51169.Nezhadali and Parsa, 201030. m/0.20 mm/0.32 «mu»m, Helium; Program: 60 0C (1 min) 3 0C/min -> 140 0C 50 0C/min -> 250 0C (3 min)
CapillarySE-521171.Tognolini, Barocelli, et al., 200630. m/0.32 mm/0.15 «mu»m, He; Program: 45C => 1C/min => 100C => 5C/min => 250C (10min)
CapillaryBPX-51171.Judzentiene and Mockute, 200530. m/0.25 mm/0.25 «mu»m; Program: 60C(0.2min) => 3K/min => 186C => 10C/min => 240C (5min)
CapillarySE-301159.Vinogradov, 2004Program: not specified
CapillaryDB-51171.Isidorov, Zenkevich, et al., 1997Program: not specified
CapillaryPolydimethyl siloxanes1152.Zenkevich, 1997Program: not specified

Normal alkane RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-Innowax1646.Cheraif, Ben Jannet, et al., 200730. m/0.25 mm/0.25 «mu»m, N2, 50. C @ 1. min, 5. K/min, 240. C @ 4. min
CapillaryCarbowax 20M1637.Vernin, Lageot, et al., 200150. m/0.22 mm/0.25 «mu»m, He, 2. K/min; Tstart: 60. C; Tend: 220. C
CapillaryNB-3511666.Onocha, Ekundayo, et al., 199925. m/0.3 mm/0.5 «mu»m, H2, 70. C @ 2. min, 5. K/min; Tend: 250. C
CapillaryCarbowax 20M1610.Buttery and Kamm, 198050. C @ 30. min, 1. K/min; Column length: 150. m; Column diameter: 0.64 mm; Tend: 170. C

Normal alkane RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryHP Innowax1656.Noorizadeh and Farmany, 201060. m/0.25 mm/0.33 «mu»m; Program: not specified
CapillaryCarbowax 20M1614.Vinogradov, 2004Program: not specified
CapillaryInnowax FSC1657.Baser, Demirci, et al., 200360. m/0.25 mm/0.25 «mu»m, He; Program: 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C
CapillaryHP-Innowax1657.Viljoen, van Vuuren, et al., 200360. m/0.25 mm/0.25 «mu»m; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryInnowax FSC1658.Tunalier, Kirimer, et al., 200260. m/0.25 mm/0.25 «mu»m; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryHP-Innowax1658.Gören, Demirci, et al., 200160. m/0.25 mm/0.25 «mu»m, He; Program: 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C

References

Go To: Top, Gas Chromatography, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Kepner, Ellison, et al., 1974
Kepner, R.E.; Ellison, B.O.; Breckenridge, M.; Connolly, G.; Madden, S.C.; Muller, C.J., Volatile terpenes in California Bay foliage. Changes in composition during maturation, J. Agric. Food Chem., 1974, 22, 5, 781-784, https://doi.org/10.1021/jf60195a027 . [all data]

Adams and Nguyen, 2005
Adams, R.P.; Nguyen, S., Infra-specific variation in Juniperus deppeana and F. Sperryi in the Davis Mountains of Texas: variation in leaf essential oils and random amplified polymorphic DNAS (RAPDS), Phytologia, 2005, 87, 2, 96-108. [all data]

Adams, 2000
Adams, R.P., Systematics of smooth leaf margin Juniperus of the western hemisphere based on leaf essential oils and RAPD DNA fingerprinting, Biochem. Syst. Ecol., 2000, 28, 2, 149-162, https://doi.org/10.1016/S0305-1978(99)00047-2 . [all data]

Adams, 2000, 2
Adams, R.P., Systematics of the one seeded Juniperus of the eastern hemisphere based on leaf essential oils and random amplified polymorphic DNAs (RAPDs), Biochem. Syst. Ecol., 2000, 28, 6, 529-543, https://doi.org/10.1016/S0305-1978(99)00096-4 . [all data]

El-Shazly, Dorai, et al., 2002
El-Shazly, A.; Dorai, G.; Wink, M., Composition and antimicrobial activity of essential oil and hexane-ether extract of Tanacetum santolinoides (DC.) Feinbr. and Fertig, Z. Naturforsch., 2002, 57c, 620-623. [all data]

Benkaci-Ali, Baaliouamer, et al., 2007
Benkaci-Ali, F.; Baaliouamer, A.; Meklati, B.Y.; Chemat, F., Chemical composition of seed essential oils from Algerian Nigella sativa extracted by microwave and hydrodistillation, Flavour Fragr. J., 2007, 22, 2, 148-153, https://doi.org/10.1002/ffj.1773 . [all data]

Saroglou, Arfan, et al., 2007
Saroglou, V.; Arfan, M.; Shabir, A.; Hadjipavlou-Litina, D.; Skaltsa, H., Composition and antioxidant activity of the essential oil of Teucrium royleanum Wall. ex Benth growing in Pakistan, Flavour Fragr. J., 2007, 22, 2, 154-157, https://doi.org/10.1002/ffj.1774 . [all data]

Kuiate, Bessière, et al., 2006
Kuiate, J.R.; Bessière, J.M.; Vilarem, G.; Amvam Zollo, P.H., Chemical composition and antidermatophytic properties of the essential oils from leaves, flowers and fruits of Cupressus lusitanica Mill. from Cameroon, Flavour Fragr. J., 2006, 21, 4, 693-697, https://doi.org/10.1002/ffj.1686 . [all data]

Zhao J.Y., Liu J.M., et al., 2006
Zhao J.Y.; Liu J.M.; Zhang X.Y.; Liu Z.J.; Tsering T.; Zhong Y.; Nan P., Chemical composition of the volatiles of three wild Bergenia species from western China, Flavour Fragr. J., 2006, 21, 3, 431-434, https://doi.org/10.1002/ffj.1689 . [all data]

Agnaniet, Makani, et al., 2005
Agnaniet, H.; Makani, T.; Akagah, A.; Menut, C.; Bessière, J.M., Volatile constituents and antioxidant activity of essential oils from Lippia multiflora Mold. growing in Gabon, Flavour Fragr. J., 2005, 20, 1, 34-38, https://doi.org/10.1002/ffj.1383 . [all data]

Cozzani, Muselli, et al., 2005
Cozzani, S.; Muselli, A.; Desjobert, J.-M.; Bernardini, A.-F.; Tomi, F.; Casanova, J., Chemical composition of essential oil of Teucrium polium subsp. capitatum (L.) from Corsica, Flavour Fragr. J., 2005, 20, 4, 436-441, https://doi.org/10.1002/ffj.1463 . [all data]

Macchioni, Cioni, et al., 2003
Macchioni, F.; Cioni, P.L.; Flamini, G.; Morelli, I.; Maccioni, S.; Ansaldi, M., Chemical composition of essential oils from needles, branches and cones of Pinus pinea, P. halepensis, P. pinaster and P. nigra from central Italy, Flavour Fragr. J., 2003, 18, 2, 139-143, https://doi.org/10.1002/ffj.1178 . [all data]

Flamini, Cioni, et al., 2002
Flamini, G.; Cioni, P.L.; Morelli, I., Differences in the fragrances of pollen and different floral parts of male and female flowers of Laurus nobilis, J. Agric. Food Chem., 2002, 50, 16, 4647-4652, https://doi.org/10.1021/jf020269x . [all data]

Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Quert, R.; García, H., Study of essential oils of Eucalyptus resinifera Smith, E. tereticornis Smith and Corymbia maculata (Hook.) K.D. Hill L.A.S. Johnson, grown in Cuba, Flavour Fragr. J., 2002, 17, 1, 1-4, https://doi.org/10.1002/ffj.1026 . [all data]

Andriamaharavo, 2014
Andriamaharavo, N.R., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]

Cardeal, da Silva, et al., 2006
Cardeal, Z.L.; da Silva, M.D.R.G.; Marriott, P.J., Comprehensive two-dimensional gas chromatography/mass spectrometric analysis of pepper volatiles, Rapid Commun. Mass Spectrom., 2006, 20, 19, 2823-2836, https://doi.org/10.1002/rcm.2665 . [all data]

Sacchetti, Maietti, et al., 2005
Sacchetti, G.; Maietti, S.; Muzzoli, M.; Scaglianti, M.; Manfredini, S.; Radice, M.; Bruni, R., Comparative evaluation of 11 essential oils of different origin as functional antioxidants, antiradicals and antimicrobials in foods, Food Chem., 2005, 91, 4, 621-632, https://doi.org/10.1016/j.foodchem.2004.06.031 . [all data]

Le Quere and Latrasse, 1990
Le Quere, J.-L.; Latrasse, A., Composition of the Essential Oils of Blackcurrant Buds (Ribes nigrum L.), J. Agric. Food Chem., 1990, 38, 1, 3-10, https://doi.org/10.1021/jf00091a001 . [all data]

Bos, Woerdenbag, et al., 2007
Bos, R.; Woerdenbag, H.J.; Kayser, O.; Quax, W.J.; Ruslan, K.; Elfami, Essential oil constituents of Piper cubeba L. fils. from Indonesia, J. Essent. Oil Res., 2007, 19, 1, 14-17, https://doi.org/10.1080/10412905.2007.9699217 . [all data]

Cheraif, Ben Jannet, et al., 2007
Cheraif, I.; Ben Jannet, H.; Hammami, M.; Khouja, M.L.; Mighri, Z., Chemical composition and antimicrobial activity of essential oils of Cupressus arizonica Greene, Biochem. Syst. Ecol., 2007, 35, 12, 813-820, https://doi.org/10.1016/j.bse.2007.05.009 . [all data]

Elfami, Bos, et al., 2007
Elfami; Bos, R.; Ruslan, K.; Woerdenbag, H.J.; Kayser, P.; Quax, W.J., Essential Oil Constituents of Piper cubeba from Indonesia, 2007, 53-60. [all data]

Oliveira, Leitão, et al., 2007
Oliveira, D.R.; Leitão, G.G.; Bizzo, H.R.; Lopes, D.; Alviano, D.S.; Alviano, C.S.; Leitão, S.G., Chemical and antimicrobial analyses of essential oil of Lippia origanoides H.B.K, Food Chem., 2007, 101, 1, 236-240, https://doi.org/10.1016/j.foodchem.2006.01.022 . [all data]

Elfami, Komar, et al., 2006
Elfami, R.B.; Komar, R.; Woerdenbag, H.J.; Kayser, P.; Quax, W.J., Essential oil constituents of Piper cubeba from Indonesia, 2006, retrieved from http://dissertations.ub.rug.nl/FILES/facultiew/science/2006/elfahmi/05c5.pdf. [all data]

Ghannadi and Zolfaghari, 2003
Ghannadi, A.; Zolfaghari, B., Compositional analysis of the essential oil of Lallemantia royleana (Benth. in Wall.) Benth. from Iran, Flavour Fragr. J., 2003, 18, 3, 237-239, https://doi.org/10.1002/ffj.1215 . [all data]

Valette, Fernandez, et al., 2003
Valette, L.; Fernandez, X.; Poulain, S.; Loiseau, A.-M.; Lizzani-Cuvelier, L.; Levieil, R.; Restier, L., Volatile constituents from Romanesco cauliflower, Food Chem., 2003, 80, 3, 353-358, https://doi.org/10.1016/S0308-8146(02)00272-8 . [all data]

Juteau, Masotti, et al., 2002
Juteau, F.; Masotti, V.; Bessière, J.-M., Compositional characteristics of the essential oil of Artemisia campestris var. glutinosa, Biochem. Syst. Ecol., 2002, 30, 11, 1065-1070, https://doi.org/10.1016/S0305-1978(02)00052-2 . [all data]

Porta, Porcedda, et al., 1999
Porta, G.D.; Porcedda, S.; Marongiu, B.; Reverchon, E., Isolation of eucalyptus oil by supercritical fluid extraction, Flavour Fragr. J., 1999, 14, 4, 214-218, https://doi.org/10.1002/(SICI)1099-1026(199907/08)14:4<214::AID-FFJ814>3.0.CO;2-H . [all data]

Collin, Deslauriers, et al., 1993
Collin, G.J.; Deslauriers, H.; Pageau, N.; Gagnon, M., Essential oil of Tansy (Tanacetum vulgare L.) of Canadian origin, J. Essent. Oil Res., 1993, 5, 6, 629-638, https://doi.org/10.1080/10412905.1993.9698296 . [all data]

Nezhadali and Parsa, 2010
Nezhadali, A.; Parsa, M., Study of the volatile compounds in Artemisia Sagebrush from Iran using HS/SPME/GC/MS, Int. J. Environ. Sci. Development, 2010, 1, 3, 287-289, https://doi.org/10.7763/IJESD.2010.V1.56 . [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]

Judzentiene and Mockute, 2005
Judzentiene, A.; Mockute, D., The inflorescence and leaf essential oils of Tanacetum vulgare L. var. vulgare growing wild in Lithuania, Biochem. Syst. Ecol., 2005, 33, 5, 487-498, https://doi.org/10.1016/j.bse.2004.11.003 . [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Isidorov, Zenkevich, et al., 1997
Isidorov, V.; Zenkevich, I.; Sacharevich, T., Calculation of Gas Chromatographic Retention Indices for Monoterpenes and Terpenoids from Their Physico-Chemical Constants, Chem. Anal. (Warsaw), 1997, 42, 627-634. [all data]

Zenkevich, 1997
Zenkevich, I.G., Analytical Parameters of Components of Essential Oils for their Chromatographic and Chromato-Spectral Identificaiton. Oxsigenated derivatives of Mono- and Sesquiterpene Hydrocarbons, Rastit, Resursy (Rus.), 1997, 33, 1, 16-28. [all data]

Vernin, Lageot, et al., 2001
Vernin, G.; Lageot, C.; Gaydou, E.M.; Parkanyi, C., Analysis of the essential oil of Lippia graveolens HBK from El Salvador, Flavour Fragr. J., 2001, 16, 3, 219-226, https://doi.org/10.1002/ffj.984 . [all data]

Onocha, Ekundayo, et al., 1999
Onocha, P.A.; Ekundayo, O.; Oyelola, O.; Laakso, I., Essential oils of Dacryodes edulis (G. Don) H. J. Lam (African pear), Flavour Fragr. J., 1999, 14, 2, 135-139, https://doi.org/10.1002/(SICI)1099-1026(199903/04)14:2<135::AID-FFJ788>3.0.CO;2-L . [all data]

Buttery and Kamm, 1980
Buttery, R.G.; Kamm, J.A., Volatile components of alfalfa: possible insect host plant attractants, J. Agric. Food Chem., 1980, 28, 5, 978-981, https://doi.org/10.1021/jf60231a014 . [all data]

Noorizadeh and Farmany, 2010
Noorizadeh, H.; Farmany, A., Exploration of linear and nonlinear modeling techniques to predict of retention index of essential oils, J. Chin. Chem. Soc., 2010, 1268-1277. [all data]

Baser, Demirci, et al., 2003
Baser, K.H.C.; Demirci, B.; Dekebo, A.; Dagne, E., Essential oils of some Boswellia spp., myrrh and opopanax, Flavour Fragr. J., 2003, 18, 2, 153-156, https://doi.org/10.1002/ffj.1166 . [all data]

Viljoen, van Vuuren, et al., 2003
Viljoen, A.; van Vuuren, S.; Ernst, E.; Klepser, M.; Demirci, B.; Baser, H.; van Wyk, B.-E., Osmitopsis asteriscoides (Asteraceae)-the antimicrobial activity and essential oil composition of a Cape-Dutch remedy, J. Ethnopharmacol., 2003, 88, 2-3, 137-143, https://doi.org/10.1016/S0378-8741(03)00191-0 . [all data]

Tunalier, Kirimer, et al., 2002
Tunalier, Z.; Kirimer, N.; Baser, K.H.C., The composition of essential oils from various parts of Juniperus foetidissima, Chem. Nat. Compd. (Engl. Transl.), 2002, 38, 1, 43-47, https://doi.org/10.1023/A:1015725630556 . [all data]

Gören, Demirci, et al., 2001
Gören, N.; Demirci, B.; Baser, K.H.C., Composition of the essential oils of Tanacetum spp. from Turkey, Flavour Fragr. J., 2001, 16, 3, 191-194, https://doi.org/10.1002/ffj.976 . [all data]


Notes

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