Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, trans-


Mass spectrum (electron ionization)

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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

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Philip Morris R&D
NIST MS number 109372

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Gas Chromatography

Go To: Top, Mass spectrum (electron ionization), 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

Kovats' RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-5MS1200.Hazzit, Baaliouamer, et al., 200630. m/0.25 mm/0.25 μm, He, 60. C @ 8. min, 2. K/min, 280. C @ 30. min
CapillaryBP-51207.Baranauskiene, Venskutonis, et al., 200550. m/0.32 mm/0.25 μm, He, 50. C @ 2. min, 5. K/min, 260. C @ 5. min
CapillarySE-541200.Adams, 200030. m/0.26 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 246. C
CapillaryDB-51200.Adams, 2000, 230. m/0.26 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 246. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5MS1205.Benkaci-Ali, Baaliouamer, et al., 200730. m/0.25 mm/0.25 μm, He, 60. C @ 8. min, 2. K/min, 250. C @ 30. min
CapillarySPB-11167.Pinto, Pina-Vaz, et al., 200630. m/0.2 mm/0.2 μm, He, 3. K/min, 220. C @ 15. min; Tstart: 70. C
CapillaryDB-11206.Rezazadeh, Hamedani, et al., 200630. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 240. C
CapillaryHP-51200.Rezazadeh, Hamedani, et al., 200625. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 240. C
CapillaryDB-11192.Dob, Dahmane, et al., 200530. m/0.32 mm/0.25 μm, 50. C @ 8. min, 2. K/min; Tend: 250. C
CapillaryHP-5MS1200.Pino, Mesa, et al., 200530. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min
CapillarySE-541198.Simionatto, Porto, et al., 200525. m/0.25 mm/0.2 μm, H2, 4. K/min; Tstart: 50. C; Tend: 250. C
CapillaryHP-5MS1199.Chorianopoulos, Kalpoutzakis, et al., 200430. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C
CapillaryHP-51197.Stashenko, Jaramillo, et al., 200450. m/0.2 mm/0.2 μm, He, 35. C @ 15. min, 3. K/min, 250. C @ 40. min
CapillaryDB-11162.de Feo, Bruno, et al., 200330. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 250. C @ 20. min
CapillaryHP-51202.Macchioni, Cioni, et al., 200330. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryDB-51201.Javidnia, Miri, et al., 200230. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 260. C
CapillaryHP-51199.Aligiannis, Kalpoutzakis, et al., 200130. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 3. K/min; Tend: 280. C
CapillaryHP-11186.Guilliard, Delgado, et al., 200160. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 2.5 K/min; Tend: 250. C
CapillaryHP-51199.Guilliard, Delgado, et al., 200150. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 2.5 K/min; Tend: 250. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5MS1202.3Andriamaharavo, 201430. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)

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

View large format table.

Column type Active phase I Reference Comment
CapillarySupelcowax-101602.Pinto, Pina-Vaz, et al., 200630. m/0.2 mm/0.2 μm, He, 3. K/min, 220. C @ 15. min; Tstart: 70. C

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-11190.Alizadeh, Khosh-Khui, et al., 201130. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryDB-5 MS1201.Mesa-Arango, Betancur-Galvis, et al., 201060. m/0.25 mm/0.25 μm, Helium, 40. C @ 15. min, 5. K/min, 250. C @ 15. min
CapillaryHP-5 MS1208.Radulovic, Dordevic, et al., 201030. m/0.25 mm/0.25 μm, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C
CapillaryOV-1011182.Benites, Moiteiro, et al., 200950. m/0.25 mm/0.25 μm, Helium, 2. K/min; Tstart: 70. C; Tend: 220. C
CapillaryDB-5 MS1205.Patil, Jayaprakasha, et al., 200960. m/0.25 mm/0.25 μm, Helium, 40. C @ 12. min, 2. K/min, 330. C @ 30. min
CapillaryDB-5 MS1203.Su, Wang, et al., 200930. m/0.25 mm/0.25 μm, Helium, 40. C @ 2. min, 4. K/min, 250. C @ 2. min
CapillaryCP Sil 5 CB1182.Hnawia, Cabalion, et al., 200730. m/0.25 mm/0.25 μm, N2, 5. K/min; Tstart: 50. C; Tend: 200. C
CapillaryRTX-5 MS1203.Hudaib and Aburjai, 200730. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 45. C; Tend: 210. C
CapillaryHP-51202.Abdelwahed, Hayder, et al., 200630. m/0.25 mm/0.25 μm, N2, 50. C @ 3. min, 9. K/min, 280. C @ 3. min
CapillaryHP-51208.Abdelwahed, Hayder, et al., 200630. m/0.25 mm/0.25 μm, N2, 50. C @ 3. min, 9. K/min, 280. C @ 3. min
CapillaryBP-11171.Boti, Muselli, et al., 200650. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C
CapillaryDB-51200.Havlik, Kokoska, et al., 200630. m/0.25 mm/0.25 μm, He, 3. K/min, 250. C @ 10. min; Tstart: 50. C
CapillaryHP-51218.Figuérédo, Cabassu, et al., 200530. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 5. K/min, 300. C @ 5. min
CapillaryHP-51200.4Leffingwell and Alford, 200560. m/0.32 mm/0.25 μm, He, 30. C @ 2. min, 2. K/min, 260. C @ 28. min
CapillaryHP-5MS1200.Shams-Ardakani, Ghannadi, et al., 200530. m/0.25 mm/0.25 μm, He, 15. K/min; Tstart: 60. C; Tend: 275. C
CapillaryDB-51201.Skoula and Grayer, 200530. m/0.25 mm/0.25 μm, He, 3. K/min, 230. C @ 20. min; Tstart: 60. C
CapillaryDB-51195.Cabanillas, Lopez, et al., 200330. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 240. C
CapillaryDB-51213.Edris, Shalaby, et al., 2003He, 3. K/min; Column length: 60. m; Column diameter: 0.32 mm; Tstart: 50. C; Tend: 220. C
CapillaryHP-51204.Mookdasanit, Tamura, et al., 2003Helium, 2. K/min, 210. C @ 60. min; Column length: 30. m; Column diameter: 0.32 mm; Tstart: 70. C
CapillaryHP-51197.Stashenko, Jaramillo, et al., 200360. m/0.25 mm/0.25 μm, 40. C @ 15. min, 5. K/min; Tend: 250. C
CapillaryDB-51202.Kobaisy, Tellez, et al., 200230. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryHP-51210.Novak, Langbehn, et al., 200230. m/0.25 mm/0.25 μm, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryHP-51202.Gallori, Flamini, et al., 200130. m/0.25 mm/0.25 μm, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C
CapillaryBP-11199.Mohagheghzadeh, Shams-Ardakani, et al., 200025. m/0.33 mm/1.0 μm, N2, 4. K/min; Tstart: 60. C; Tend: 275. C
CapillaryHP-51202.Mohagheghzadeh, Shams-Ardakani, et al., 2000, 230. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 275. C
CapillaryHP-51197.Collin, Deslauriers, et al., 19932. K/min; Tstart: 40. C; Tend: 210. C
CapillaryHP-51197.Collin, Deslauriers, et al., 19932. K/min; Tstart: 40. C; Tend: 210. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-11164.Albano, Lima, et al., 201230. m/0.25 mm/0.25 μm, Hydrogen; Program: 45 0C 3 0C/min -> 175 0C 15 0C/min -> 300 0C (10 min)
CapillaryHP-51204.Laribi, Kouki, et al., 201130. m/0.25 mm/0.25 μm, Nitrogen; Program: 35 0C (10 min) 3 0C/min -> 205 0C 10 0C/min -> 225 0C
CapillaryDB-51212.Miyazaki, Plotto, et al., 201160. m/0.25 mm/1.00 μm, Helium; Program: 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min)
CapillaryHP-51201.Custer, 200925. m/0.32 mm/0.17 μm, Helium; Program: 60 0C (5 min) 4 0C/min -> 220 0C 11 0C/min -> 280 0C (15 min)
CapillaryHP-51200.Custer, 200925. m/0.32 mm/0.17 μm, Helium; Program: not specified
CapillaryHP-51204.Riahi, Pourbasheer, et al., 2009Column length: 30. m; Column diameter: 0.32 mm; Program: not specified
CapillaryDB-5 MS1201.Su, Wang, et al., 200930. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillarySE-521201.Tognolini, Barocelli, et al., 200630. m/0.32 mm/0.15 μm, He; Program: 45C => 1C/min => 100C => 5C/min => 250C (10min)
CapillaryDB-5MS1180.Bagci and Baser, 200530. m/0.25 mm/0.25 μm; Program: 70C(2min) => 10C/min => 150C(15min) => 5C/min => 240C
CapillaryCP Sil 8 CB1200.Butkienë, Nivinskienë, et al., 200550. m/0.32 mm/0.25 μm, He; Program: 50C(5min) => 2C/min => 90C => 15C/min => 240C(4min)
CapillarySE-301187.Vinogradov, 2004Program: not specified
CapillaryCP Sil 8 CB1200.Mockute and Judzentiene, 200350. m/0.32 mm/0.25 μm, He; Program: 70C(5min) => 3C/min => 100C (1min) => 25C/min => 250C (10min)
CapillaryAT-51200.Usai, Atzei, et al., 200360. m/0.25 mm/0.25 μm, He; Program: 50 0C 5 0C/min -> 135 0C (1 min) 5 0C/min -> 225 0C (5 min) 5 0C/min -> 260 0C
CapillaryCBP-11210.Juliani, Biurrun, et al., 2000Program: not specified
CapillaryPolydimethyl siloxanes1187.Zenkevich, 1997Program: not specified

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryInnowax1616.Seo, Kim, et al., 200930. m/0.25 mm/0.25 μm, Helium, 40. C @ 1. min, 6. K/min, 250. C @ 4. min
CapillaryInnowax1645.Abdelwahed, Hayder, et al., 200630. m/0.25 mm/0.25 μm, N2, 50. C @ 3. min, 9. K/min, 280. C @ 3. min
CapillaryInnowax1650.Abdelwahed, Hayder, et al., 200630. m/0.25 mm/0.25 μm, N2, 50. C @ 3. min, 9. K/min, 280. C @ 3. min
CapillaryBP-201600.Boti, Muselli, et al., 200650. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C
CapillaryDB-Wax1627.Mookdasanit, Tamura, et al., 2003Helium, 2. K/min, 210. C @ 60. min; Column length: 60. m; Column diameter: 0.25 mm; Tstart: 70. C
CapillaryHP-Innowax1602.Stashenko, Jaramillo, et al., 200350. m/0.2 mm/0.2 μm, 50. C @ 5. min, 4. K/min; Tend: 220. C
CapillaryInnowax1645.Kaya, Baser, et al., 199960. m/0.25 mm/0.25 μm, He, 60. C @ 10. min; Tend: 220. C
CapillaryHP-Innowax FSC1645.Tümen, Baser, et al., 199860. m/0.25 mm/0.25 μm, He, 60. C @ 10. min, 4. K/min, 220. C @ 10. min
CapillarySupelcowax-101624.Collin, Deslauriers, et al., 199340. C @ 2. min, 2. K/min, 210. C @ 120. min
CapillarySupelcowax-101624.Collin, Deslauriers, et al., 199340. C @ 2. min, 2. K/min, 210. C @ 120. min

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryHP Innowax1627.Laribi, Kouki, et al., 201130. m/0.25 mm/0.25 μm, Nitrogen; Program: 35 0C (10 min) 3 0C/min -> 205 0C 10 0C/min -> 225 0C
CapillaryCarbowax 20M1600.Hudaib and Aburjai, 200730. m/0.25 mm/0.25 μm, He; Program: not specified
CapillaryInnowax FSC1624.Kosar, Özek, et al., 200560. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryCarbowax 20M1610.Vinogradov, 2004Program: not specified
CapillaryInnowax FSC1624.Baser, Demirci, et al., 200360. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C
CapillaryHP-Innowax1645.Baser, Demirci, et al., 200260. m/0.25 mm/0.25 μm, He; Program: 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C
CapillaryHP-Innowax1624.Baser, Demirci, et al., 200160. m/0.25 mm/0.25 μm, He; Program: 60 0C (10 min) 10 K/min -> 220 0C (10 min) 1K/min -> 240 0C
CapillaryHP-Innowax1624.Gören, Demirci, et al., 200160. m/0.25 mm/0.25 μm, He; Program: 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C
CapillaryInnowax1645.Baser, Özek, et al., 200060. m/0.25 mm/0.25 μm, He; Program: 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C
CapillarySupelcowax-101633.Juliani, Biurrun, et al., 2000Program: not specified
CapillaryInnowax FSC1645.Kirimer, Tabanca, et al., 200060. m/0.25 mm/0.25 μm, He; Program: 60C(10 min) => 4C/min => 220C(10min) => 1C/min => 240C

References

Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes

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

Hazzit, Baaliouamer, et al., 2006
Hazzit, M.; Baaliouamer, A.; Faleiro, M.L.; Miguel, M.G., Composition of the Essential Oils of Thymus and Origanum Species from Algeria and Their Antioxidant and Antimicrobial Activities, J. Agric. Food Chem., 2006, 54, 17, 6314-6321, https://doi.org/10.1021/jf0606104 . [all data]

Baranauskiene, Venskutonis, et al., 2005
Baranauskiene, R.; Venskutonis, R.P.; Demyttenaere, J.C.R., Sensory and instrumental evaluation of sweet marjoram (Origanum majorana L.) aroma, Flavour Fragr. J., 2005, 20, 5, 492-500, https://doi.org/10.1002/ffj.1478 . [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., The serrate leaf margined Juniperus (Section Sabina) of the western hemisphere: systematics and evolution based on leaf essential oils and Random Amplified Polymorphic DNAs (RAPDs), Biochem. Syst. Ecol., 2000, 28, 10, 975-989, https://doi.org/10.1016/S0305-1978(00)00022-3 . [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]

Pinto, Pina-Vaz, et al., 2006
Pinto, E.; Pina-Vaz, C.; Salgueiro, L.; Goncalves, M.J.; Costa-de-Oliveira, S.; Cavaleiro, C.; Palmeira, A.; Rodrigues, A.; Martinez-de-Oliveira, J., Antifuncal activity of the essential oil Thymus pulegioides on Candida, Aspergillus and dermatophyte species, Journal of Medical Microbiology, 2006, 55, 10, 1367-1373, https://doi.org/10.1099/jmm.0.46443-0 . [all data]

Rezazadeh, Hamedani, et al., 2006
Rezazadeh, S.; Hamedani, M.P.; Dowlatabadi, R.; Yazdani, D.; Shafiee, A., Chemical composition of the essential oils of Stachys schtschegleevii Sosn. and Stachys balansae Boiss Kotschy from Iran, Flavour Fragr. J., 2006, 21, 2, 290-293, https://doi.org/10.1002/ffj.1587 . [all data]

Dob, Dahmane, et al., 2005
Dob, T.; Dahmane, D.; Berramdane, T.; Chelghoum, C., Chemical composition of the essential oil of Artemisia campestris L. from Algeria, Pharm. Biol., 2005, 43, 6, 512-514, https://doi.org/10.1080/13880200500220664 . [all data]

Pino, Mesa, et al., 2005
Pino, J.A.; Mesa, J.; Muñoz, Y.; Martí, M.P.; Marbot, R., Volatile components from mango (Mangifera indica L.) cultivars, J. Agric. Food Chem., 2005, 53, 6, 2213-2223, https://doi.org/10.1021/jf0402633 . [all data]

Simionatto, Porto, et al., 2005
Simionatto, E.; Porto, C.; da Silva, U.F.; Squizani, A.; Dalcol, I.I.; Morel, A.F., Composition and antimicrobial activity of the essential oil from Aloysia sellowii, J. Braz. Chem. Soc., 2005, 16, 6B, 1458-1462, https://doi.org/10.1590/S0103-50532005000800028 . [all data]

Chorianopoulos, Kalpoutzakis, et al., 2004
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Stashenko, Jaramillo, et al., 2004
Stashenko, E.E.; Jaramillo, B.E.; Martínez, J.R., Comparison of different extraction methods for the analysis of volatile secondary metabolites of Lippia alba (Mill.) N.E. Brown, grown in Colombia, and evaluation of its in vitro antioxidant activity, J. Chromatogr. A, 2004, 1025, 1, 93-103, https://doi.org/10.1016/j.chroma.2003.10.058 . [all data]

de Feo, Bruno, et al., 2003
de Feo, V.; Bruno, M.; Tahiri, B.; Napolitano, F.; Senatore, F., Chemical composition and antibacterial activity of essential oils from Thymus spinulosus Ten. (Lamiaceae), J. Agric. Food Chem., 2003, 51, 13, 3849-3853, https://doi.org/10.1021/jf021232f . [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]

Javidnia, Miri, et al., 2002
Javidnia, K.; Miri, R.; Kamalinejad, M.; Nasiri, A., Composition of the essential oil of Salvia mirzayanii Rech. f. Esfand from Iran, Flavour Fragr. J., 2002, 17, 6, 465-467, https://doi.org/10.1002/ffj.1128 . [all data]

Aligiannis, Kalpoutzakis, et al., 2001
Aligiannis, N.; Kalpoutzakis, E.; Mitaku, S.; Chinou, I.B., Composition and antimicrobial activity of the essential oils of two Origanum species, J. Agric. Food Chem., 2001, 49, 9, 4168-4170, https://doi.org/10.1021/jf001494m . [all data]

Guilliard, Delgado, et al., 2001
Guilliard, M.; Delgado, W.; Martínez, J.R.; Stashenko, E., Determination of the enantiomeric purity of carvone, main component of Colombian Lippia alba (Mill) oil by means of bidimensional gas chromatography (23rd International Symposium on Capillary Chromatography), 2001, retrieved from http://www.richrom.com/assets/CD23PDF/i01.pdf. [all data]

Andriamaharavo, 2014
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Alizadeh, Khosh-Khui, et al., 2011
Alizadeh, A.; Khosh-Khui, M.; Javidnia, K.; Firuzi, O.; Jokar, S.M., Chemical composition of the essential oil, total phenolic content and antioxidant activity in Origanum maiorana L. (Lamiaceae) cultivated in Iran, Adv. Environ. Biol., 2011, 5, 8, 2326-2331. [all data]

Mesa-Arango, Betancur-Galvis, et al., 2010
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Radulovic, Dordevic, et al., 2010
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Benites, Moiteiro, et al., 2009
Benites, J.; Moiteiro, C.; Miguel, G.; Rojo, L.; Lopez, J.; Venancio, F.; Ramalho, L.; Feio, S.; Dandlen, S.; Casanova, H.; Torres, I., Composition and biological activity of the essential oil of Peruvial Lantana camara, J. Chilean Chem. Soc., 2009, 54, 4, 379-384, https://doi.org/10.4067/S0717-97072009000400012 . [all data]

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Patil, J.R.; Jayaprakasha, G.K.; Murthy, K.N.C.; Tichy, S.E.; Chetti, M.B.; Patil, B.S., Apoptosis-mediated proliferation inhibition of human colon cancer cells by volatile principles of Citrus auratifolia, Food Chem., 2009, 114, 4, 1351-1358, https://doi.org/10.1016/j.foodchem.2008.11.033 . [all data]

Su, Wang, et al., 2009
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Notes

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