1H-Benzocycloheptene, 2,4a,5,6,7,8-hexahydro-3,5,5,9-tetramethyl-, (R)-


Gas Chromatography

Go To: Top, 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, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedSF-96170.1498.5Andersen, Bissonette, et al., 1977Column length: 7.3 m
PackedApiezon L190.1546.5Andersen, Bissonette, et al., 1977Column length: 7.3 m
PackedApiezon L190.1544.Andersen, Bissonette, et al., 1977Column length: 7.3 m
PackedSE-30130.1491.Andersen and Falcone, 1969He, Chromosorb G

Kovats' RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryCP Sil 8 CB1498.Schwob, Bessiere, et al., 200430. m/0.25 mm/0.25 μm, H2, 50. C @ 2. min, 3. K/min; Tend: 220. C
CapillarySE-541499.Adams, 200030. m/0.26 mm/0.25 μm, 3. K/min; Tstart: 60. C; Tend: 246. C
CapillarySE-301517.Jantan I. and Ahmad A.S., 1999He, 60. C @ 10. min, 3. K/min; Column length: 25. m; Column diameter: 0.2 mm; Tend: 180. C

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

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Column type Active phase I Reference Comment
CapillaryHP-5MS1500.Mevy, Bousquet-Melou, et al., 200630. m/0.25 mm/0.25 μm, He; Program: 50C(2min) => 2C/min => 160C(5min) => 50C/min => 270C (6min)

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedCarbowax 20M150.1736.Andersen, Bissonette, et al., 1977Column length: 7.3 m
PackedCarbowax 20M150.1736.Andersen, Bissonette, et al., 1977Column length: 7.3 m
PackedCarbowax 20M150.1738.Andersen, Bissonette, et al., 1977Column length: 7.3 m
PackedCarbowax 20M132.1717.Andersen and Falcone, 1969 
PackedCarbowax 20M165.1752.Andersen and Falcone, 1969 

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

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Column type Active phase I Reference Comment
CapillaryBP-11497.Duquesnoy, Castola, et al., 200750. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C
CapillaryDB-51499.Maccioni, Baldini, et al., 200730. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryHP-51503.Quijano, Salamanca, et al., 200730. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 4. K/min, 250. C @ 10. min
CapillaryZB-51500.Simoniatto, Bonani, et al., 200730. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 250. C
CapillaryHP-5MS1491.Basta, Tzakou, et al., 200630. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C
CapillaryRTX-11497.Cavalli, Tomi, et al., 200660. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 45. min; Tstart: 60. C
CapillaryBP-11501.Gonny, Cavaleiro, et al., 200650. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C
CapillaryDB-51490.Pavlovic, Tzakou, et al., 200630. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C
CapillaryHP-5MS1495.Saroglou, Dorizas, et al., 200630. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C
CapillaryDB-51505.Su, Ho, et al., 200630. m/0.25 mm/0.25 μm, He, 50. C @ 2. min, 5. K/min; Tend: 250. C
CapillaryHP-51499.Flamini, Luigi Cioni, et al., 200530. m/0.25 mm/0.25 μm, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C
CapillaryBP-11499.Gonny, Bradesi, et al., 200450. m/0.22 mm/0.25 μm, 2. K/min, 220. C @ 20. min; Tstart: 60. C
CapillaryDB-5MS1516.Mardarowicz, Wianowska, et al., 200430. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 280. C
CapillaryHP-51499.Skaltsa, Demetzos, et al., 200330. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C
CapillaryHP-5MS1499.Demetzos, Angelopoulou, et al., 200230. m/0.25 mm/0.25 μm, 50. C @ 5. min, 3. K/min; Tend: 280. C
CapillaryHP-5MS1499.Skaltsa, Mavrommati, et al., 200130. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C
CapillaryOV-11479.Bicchi, Rubiolo, et al., 199825. m/0.25 mm/0.3 μm, 50. C @ 1. min, 3. K/min, 200. C @ 20. min
CapillaryDB-11538.Stashenko, Wiame, et al., 199530. m/0.20 mm/0.20 μm, He, 70. C @ 5. min, 4. K/min; Tend: 200. 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-5MS1515.Andriamaharavo, 201430. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)
CapillaryHP-5MS1511.8Andriamaharavo, 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

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Column type Active phase I Reference Comment
CapillaryBP-201706.Duquesnoy, Castola, et al., 200750. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C
CapillaryRTX-Wax1704.Cavalli, Tomi, et al., 200660. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 45. min; Tstart: 60. C
CapillaryBP-201717.Gonny, Cavaleiro, et al., 200650. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C
CapillaryBP-201706.Gonny, Bradesi, et al., 200450. m/0.22 mm/0.25 μm, 2. K/min, 220. C @ 20. min; Tstart: 60. C
CapillaryDB-Wax1713.Cha, Kim, et al., 199860. m/0.25 mm/0.25 μm, 40. C @ 5. min, 3. K/min, 200. C @ 60. min

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-51505.Cao, Li, et al., 201130. m/0.25 mm/0.25 μm, Helium, 40. C @ 5. min, 3. K/min, 250. C @ 20. min
CapillaryElite-5 MS1478.Baharum, Bunawan, et al., 201030. m/0.25 mm/0.25 μm, Helium, 4. K/min; Tstart: 40. C; Tend: 220. C
CapillaryHP-51506.Bousaada, Ammar, et al., 200830. m/0.25 mm/0.25 μm, Nitrogen, 50. C @ 1. min, 5. K/min, 280. C @ 1. min
CapillaryHP-5 MS1505.Forero, Quijano, et al., 200830. m/0.25 mm/0.25 μm, Helium, 50. C @ 4. min, 4. K/min, 230. C @ 10. min
CapillaryVF-5MS1508.Kowalski, 200830. m/0.25 mm/0.25 μm, Helium, 240. C @ 1. min, 20. K/min; Tend: 320. C
CapillaryHP-51500.Yassa and Akhani, 200830. m/0.25 mm/0.32 μm, Helium, 60. C @ 30. min, 5. K/min; Tend: 250. C
CapillaryDB-51497.Bos, Woerdenbag, et al., 200730. m/0.26 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryDB-51497.Elfami, Bos, et al., 200730. m/0.26 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 290. C
CapillaryRTX-5 MS1504.Hudaib and Aburjai, 200730. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 45. C; Tend: 210. C
CapillaryDB-11495.Pala-Paul, Brophy, et al., 200750. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 95. C; Tend: 240. C
CapillaryHP-51500.Yassa and Akhani, 200730. m/0.25 mm/0.32 μm, He, 60. C @ 30. min, 5. K/min; Tend: 250. C
CapillaryDB-51497.Elfami, Komar, et al., 200630. m/0.26 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 290. C
CapillaryDB-51502.Mirza, Navaei, et al., 200630. m/0.25 mm/0.25 μm, Helium, 50. C @ 5. min, 3. K/min; Tend: 250. C
CapillaryDB-51497.Ferraz, Limberger, et al., 200530. m/0.25 mm/0.25 μm, He, 60. C @ 3. min, 3. K/min; Tend: 300. C
CapillaryCP Sil 5 CB1505.Rohloff and Bones, 200530. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 4. K/min; Tend: 220. C
CapillaryHP-51457.N/A30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryMDN-51493.Jelén, 200230. m/0.25 mm/0.25 μm, 40. C @ 3. min, 8. K/min; Tend: 280. C
CapillaryDB-51501.Schwob, Bessière, et al., 2002He, 3. K/min; Column length: 25. m; Column diameter: 0.2 mm; Tstart: 60. C; Tend: 220. C
CapillaryDB-51499.Zoghbi, Andrade, et al., 200230. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryHP-51500.Gallori, Flamini, et al., 200130. m/0.25 mm/0.25 μm, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C
CapillaryHP-51542.Larsen and Frisvad, 199535. C @ 2. min, 6. K/min; Tend: 200. C
CapillaryHP-51542.Larsen and Frisvad, 1995, 235. C @ 2. min, 6. K/min; Tend: 200. C
CapillaryHP-51542.Larsen and Frisvad, 1995, 235. C @ 2. min, 6. K/min; Tend: 200. C
CapillaryHP-51550.Larsen and Frisvad, 199435. C @ 2. min, 6. K/min; Tend: 200. C
CapillaryBP-11485.Wyllie, Brophy, et al., 199045. C @ 3. min, 3. K/min; Column length: 25. m; Column diameter: 0.33 mm; Tend: 180. C
CapillarySE-301494.Ramaswami, Briscese, et al., 198850. C @ 2. min, 4. K/min, 240. C @ 10. min; Column length: 30. m
CapillarySE-301494.Ramaswami, Briscese, et al., 198650. C @ 2. min, 4. K/min, 240. C @ 10. min; Column length: 30. m

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

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Column type Active phase I Reference Comment
CapillaryDB-51500.Cao, Li, et al., 201130. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryHP-51501.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-51500.Custer, 200925. m/0.32 mm/0.17 μm, Helium; Program: not specified
CapillaryHP-5MS1527.Demyttenaere, Moriña, et al., 200430. m/0.25 mm/0.25 μm, He; Program: 40C (2min) => 10C/min => 200C => 15C/min => 250C (5min)
CapillaryHP-5MS1527.Demyttenaere, Moriña, et al., 200430. m/0.25 mm/0.25 μm, He; Program: 40C (2min) => 10C/min => 200C => 15C/min => 250C (5min)
CapillaryCP Sil 8 CB1504.Judpentienë and Mockutë, 2004He; Column length: 50. m; Column diameter: 0.32 mm; Program: 60C(2min) => 5C/min => 160C (1min) => 10C/min => 250C (2min)
CapillarySE-301509.Vinogradov, 2004Program: not specified
CapillaryCP Sil 8 CB1488.Schwob, Bessière, et al., 2002, 2Program: not specified
CapillaryHP-51494.Aparicio, Romero, et al., 200130. m/0.25 mm/0.25 μm; Program: not specified
CapillaryDB-11494.Santos, Figueiredo, et al., 199930. m/0.25 mm/0.25 μm, He; Program: 45C => 3C/min => 175C => 15C/min => 300C(10min)
CapillaryMethyl Silicone1501.Zenkevich, 1996Program: not specified
CapillaryDB-51510.Jelen H.H., Mirocha C.J., et al., 199530. m/0.25 mm/0.25 μm; Program: 35C(1min) => 5C/min => 230C => 20C/min => 280C

Normal alkane RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-Innowax1718.Bousaada, Ammar, et al., 200830. m/0.25 mm/0.25 μm, Nitrogen, 50. C @ 1. min, 5. K/min, 280. C @ 1. min
CapillaryCP-Wax 52CB1718.Rohloff and Bones, 200530. m/0.32 mm/0.25 μm, He, 40. C @ 1. min, 4. K/min; Tend: 220. C
CapillaryZB-Wax1705.N/A30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryCP-Wax 52CB1684.Mau, Lai, et al., 200360. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 220. C
CapillaryHP-20M1718.Prikhod'ko, Klyuev, et al., 199925. m/0.20 mm/0.25 μm, Helium, 60. C @ 4. min, 3. K/min; Tend: 200. C
CapillaryDB-Wax1711.Wyllie, Brophy, et al., 199070. C @ 2. min, 4. K/min; Column length: 30. m; Column diameter: 0.32 mm; Tend: 200. C
CapillarySupelcowax-101718.Ramaswami, Briscese, et al., 198850. C @ 2. min, 4. K/min, 240. C @ 10. min; Column length: 30. m
CapillarySupelcowax-101718.Ramaswami, Briscese, et al., 1986He, 50. C @ 2. min, 4. K/min, 240. C @ 10. min; Column length: 30. m

Normal alkane RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryCarbowax 20M1715.Hudaib and Aburjai, 200730. m/0.25 mm/0.25 μm, He; Program: not specified
CapillaryHP-Innowax FSC1740.Tabanca, Demirci, et al., 200660. m/0.25 mm/0.25 μm; Program: 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C
CapillaryCarbowax 20M1742.Vinogradov, 2004Program: not specified
CapillaryHP-Innowax FSC1729.Bagci, Baser, et al., 199960. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C

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.

Andersen, Bissonette, et al., 1977
Andersen, N.H.; Bissonette, P.; Liu, C.-B.; Shunk, B.; Ohta, Y.; Tseng, C.-L.W.; Moore, A.; Huneck, S., Sesquiterpenes of nine European liverworts from the genera, Anastrepta, Bazzania, Jungermannia, Lepidozia, and Scapania, Phytochemistry, 1977, 16, 11, 1731-1751, https://doi.org/10.1016/0031-9422(71)85081-1 . [all data]

Andersen and Falcone, 1969
Andersen, N.H.; Falcone, M.S., The identification of sesquiterpene hydrocarbons from gas-liquid chromatography retention data, J. Chromatogr., 1969, 44, 52-59, https://doi.org/10.1016/S0021-9673(01)92497-5 . [all data]

Schwob, Bessiere, et al., 2004
Schwob, I.; Bessiere, J.-M.; Masotti, V.; Viano, J., Changes in essential oil composition in Saint John's wort (Hypericum perforatum L.) aerial parts during its phenological cycle, Biochem. Syst. Ecol., 2004, 32, 8, 735-745, https://doi.org/10.1016/j.bse.2003.12.005 . [all data]

Adams, 2000
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]

Jantan I. and Ahmad A.S., 1999
Jantan I.; Ahmad A.S., Oleoresins of three pinus species from malaysian pine plantations, ASEAN Review of BiodiversityEnvironment Conservation, 1999, November-December, 1-9. [all data]

Mevy, Bousquet-Melou, et al., 2006
Mevy, J.P.; Bousquet-Melou, A.; Greff, S.; Millogo, J.; Fernandez, C., Chemical composition of the volatile oil of Laggera aurita Schulz from Burkina-Faso, Biochem. Syst. Ecol., 2006, 34, 11, 815-818, https://doi.org/10.1016/j.bse.2006.06.005 . [all data]

Duquesnoy, Castola, et al., 2007
Duquesnoy, E.; Castola, V.; Casanova, J., Composition and chemical variability of the twig oil of Abies alba Miller from Corsica, Flavour Fragr. J., 2007, 22, 4, 293-299, https://doi.org/10.1002/ffj.1796 . [all data]

Maccioni, Baldini, et al., 2007
Maccioni, S.; Baldini, R.; Luigi Cioni, P.; Tebano, M.; Flamini, G., In vivo volatiles emission and essential oils from different organs and pollen of Cistus albidus from Caprione (Eastern Liguria, Italy), Flavour Fragr. J., 2007, 22, 1, 61-65, https://doi.org/10.1002/ffj.1759 . [all data]

Quijano, Salamanca, et al., 2007
Quijano, C.E.; Salamanca, G.; Pino, J.A., Aroma volatile constituents of Colombian varieties of mango (Mangifera indica L.), Flavour Fragr. J., 2007, 22, 5, 401-406, https://doi.org/10.1002/ffj.1812 . [all data]

Simoniatto, Bonani, et al., 2007
Simoniatto, E.; Bonani, V.F.L.; Morel, A.F.; Poppi, N.R.; Raposo, J.L., Jr.; Stuker, C.Z.; Peruzzo, G.M.; Peres, M.T.L.P.; Hess, S.C., Chemical composition and evaluation of antibacterial and antioxidant activities of the essential oil of Croton urucurana Baillon (Euphorbiaceae) stem bark, J. Braz. Chem., 2007, 18, 5, 879-885, https://doi.org/10.1590/S0103-50532007000500002 . [all data]

Basta, Tzakou, et al., 2006
Basta, A.; Tzakou, O.; Couladis, M., The essential oil composition of Phlomis cretica C. Presl, Flavour Fragr. J., 2006, 21, 5, 795-797, https://doi.org/10.1002/ffj.1717 . [all data]

Cavalli, Tomi, et al., 2006
Cavalli, J.-F.; Tomi, F.; Bernardini, A.-F.; Casanova, J., Chemical variability of the essential oil of Helichrysum faradifani Sc. Ell. from Madagascar, Flavour Fragr. J., 2006, 21, 1, 111-114, https://doi.org/10.1002/ffj.1531 . [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]

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Pavlovic, M.; Tzakou, O.; Petrakis, P.V.; Couladis, M., The essential oil of Hypericum perforatum L., Hypericum tetrapterum Fries and Hypericum olympicum L. growing in Greece, Flavour Fragr. J., 2006, 21, 1, 84-87, https://doi.org/10.1002/ffj.1521 . [all data]

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Saroglou, V.; Dorizas, N.; Kypriotakis, Z.; Skaltsa, H.D., Analysis of the essential oil composition of eight Anthemis species from Greece, J. Chromatogr. A, 2006, 1104, 1-2, 313-322, https://doi.org/10.1016/j.chroma.2005.11.087 . [all data]

Su, Ho, et al., 2006
Su, Y.C.; Ho, C.L.; Wang, E.I.C., Analysis of leaf essential oils from the indigenous five conifers of Taiwan, Flavour Fragr. J., 2006, 21, 3, 447-452, https://doi.org/10.1002/ffj.1685 . [all data]

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Flamini, G.; Luigi Cioni, P.; Morelli, I.; Celik, S.; Gokturk, R.S.; Unal, O., Essential oil of Stachys aleurites from Turkey, Biochem. Syst. Ecol., 2005, 33, 1, 61-66, https://doi.org/10.1016/j.bse.2004.05.013 . [all data]

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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]

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Mardarowicz, M.; Wianowska, D.; Dawidowicz, A.L.; Sawicki, R., The influence of sample treatment on SPME extracts from conifers. I. Comparison of terpene composition in Engelmann Spruce (Picea engelmanii) using hydrodistillation, SPME and PLE, Annales Universitatis Mariae Curie-Sklodowska Lublin - Polonia, 2004, 59, 3, 25-42. [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]

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Skaltsa, H.D.; Mavrommati, A.; Constantinidis, T., A chemotaxonomic investigation of volatile constituents in Stachys subsect. Swainsonianeae (Labiatae), Phytochemistry, 2001, 57, 2, 235-244, https://doi.org/10.1016/S0031-9422(01)00003-6 . [all data]

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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]

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Cao, H.; Li, Z.; Chen, X., QSRR study of GC retention indices of volatile compounds emitted from Mosla chinensis Maxim. by multiply linear regression, Chin. J. Chem., 2011, 29, 10, 2187-2196, https://doi.org/10.1002/cjoc.201180379 . [all data]

Baharum, Bunawan, et al., 2010
Baharum, S.N.; Bunawan, H.; Ghani, M.A.; Mustafa, W.A.W.; Noor, N.M., Analysis of the chemical composition of the essential oil of Polygonum minus Huds. using two-dimensional gas chromatography - time of flight mass spectrometry (GC-TOF-MS), Molecules, 2010, 15, 10, 7006-7015, https://doi.org/10.3390/molecules15107006 . [all data]

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Notes

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