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(3R,5aS,9aR)-2,2,5a,9-Tetramethyl-3,4,5,5a,6,7-hexahydro-2H-3,9a-methanobenzo[b]oxepine


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, temperature ramp

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Column type Active phase I Reference Comment
CapillaryCP Sil 5 CB1539.Kaul and Vats, 19985. K/min; Column length: 25. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 280. C

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

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Column type Active phase I Reference Comment
CapillaryDB-5MS1552.Tuberoso, Kowalczyk, et al., 200530. m/0.25 mm/0.25 «mu»m, He; Program: 60C(5min) => 2C/min => 140C= 5C/min => 250C(5min)
CapillaryHP-51545.Shellie and Marriott, 200330. m/0.25 mm/0.25 «mu»m, He; Program: not specified

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

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Column type Active phase I Reference Comment
CapillaryRTX-11536.Cozzani, Muselli, et al., 200560. m/0.22 mm/0.25 «mu»m, 2. K/min, 220. C @ 20. min; Tstart: 60. C
CapillaryHP-51543.Isidorov, Krajewska, et al., 200430. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 40. C; Tend: 250. C
CapillaryRTX-11535.Cavalli, Tomi, et al., 200360. m/0.22 mm/0.25 «mu»m, He, 2. K/min, 230. C @ 45. min; Tstart: 60. C
CapillaryHP-51546.Shellie and Marriott, 200330. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 40. C; Tend: 240. 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-5MS1556.1Andriamaharavo, 201430. m/0.25 mm/0.25 «mu»m, 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
CapillaryRTX-Wax1861.Cozzani, Muselli, et al., 200560. m/0.22 mm/0.25 «mu»m, 2. K/min, 220. C @ 20. min; Tstart: 60. C
CapillaryRTX-Wax1878.Cavalli, Tomi, et al., 200360. m/0.22 mm/0.25 «mu»m, He, 2. K/min, 230. C @ 45. min; Tstart: 60. C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-51553.Boukhris, Bouaziz, et al., 201230. m/0.25 mm/0.25 «mu»m, Helium, 100. C @ 1. min, 10. K/min, 260. C @ 10. min
CapillaryHP-5 MS1581.Zarai, Kadri, et al., 201130. m/0.25 mm/0.25 «mu»m, Helium, 30. C @ 3. min, 5. K/min, 250. C @ 10. min
CapillaryHP-5 MS1555.Radulovic, Blagojevic, et al., 201030. m/0.25 mm/0.25 «mu»m, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C
CapillaryDB-51546.El-Massry, El-Ghorab, et al., 200930. m/0.25 mm/0.25 «mu»m, Helium, 3. K/min, 220. C @ 40. min; Tstart: 35. C
CapillaryDB-51550.Scrivanti, Anton, et al., 200930. m/0.25 mm/0.25 «mu»m, Nitrogen, 2. K/min; Tstart: 40. C; Tend: 230. C
CapillaryDB-11569.Pala-Paul J., Perez-Alonso M.J., et al., 200650. m/0.25 mm/0.25 «mu»m, N2, 4. K/min; Tstart: 95. C; Tend: 240. C
CapillaryHP-51550.Potzernheim, Bizzo, et al., 200625. m/0.32 mm/0.25 «mu»m, H2, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryDB-51543.Tellez, Khan, et al., 200430. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryUltra-21567.Quiroz, Fuentes-Contreras, et al., 199940. C @ 4. min, 5. K/min; Column length: 25. m; Column diameter: 0.2 mm; Tend: 300. C

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

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Column type Active phase I Reference Comment
CapillaryCP Sil 5 CB1540.Weyerstahl, Marschall, et al., 2000Column length: 25. m; Program: not specified

Normal alkane RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-Wax1907.van Beek, Kleis, et al., 198960. m/0.25 mm/0.25 «mu»m, H2, 4. K/min, 238. C @ 13. min; Tstart: 50. C

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.

Kaul and Vats, 1998
Kaul, V.K.; Vats, S.K., Essential oil composition of Bothriochloa pertusa and phyletic relationship in aromatic grasses, Biochem. Syst. Ecol., 1998, 26, 3, 347-356, https://doi.org/10.1016/S0305-1978(97)00103-8 . [all data]

Tuberoso, Kowalczyk, et al., 2005
Tuberoso, C.I.G.; Kowalczyk, A.; Coroneo, V.; Russo, M.T.; Dessì, S.; Cabras, P., Chemical Composition and Antioxidant, Antimicrobial, and Antifungal Activities of the Essential Oil of Achillea ligustica All., J. Agric. Food Chem., 2005, 53, 26, 10148-10153, https://doi.org/10.1021/jf0518913 . [all data]

Shellie and Marriott, 2003
Shellie, R.A.; Marriott, P.J., Comprehensive two-dimensional gas chromatography-mass spectrometry analysis of Pelargonium graveolens essential oil using rapid scanning quadrupole mass spectrometry, Analyst, 2003, 128, 7, 879-883, https://doi.org/10.1039/b304371a . [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]

Isidorov, Krajewska, et al., 2004
Isidorov, V.A.; Krajewska, U.; Vinogorova, V.T.; Vetchinnikova, L.V.; Fuksman, I.L.; Bal, K., Gas chromatographic analysis of essential oil from buds of different birch species with preliminary partition of components, Biochem. Syst. Ecol., 2004, 32, 1, 1-13, https://doi.org/10.1016/S0305-1978(03)00175-3 . [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]

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

Boukhris, Bouaziz, et al., 2012
Boukhris, M.; Bouaziz, M.; Feki, I.; Jemai, H.; El Feki, A.; Sayadi, S., Hypoglycemic and antioxidant effects of leaf essential oil of Pelargonium graveolens L'Her. in alloxan induced diabetic rats, Lipids in Health and Disease, 2012, 11, 1, 1-10, https://doi.org/10.1186/1476-511X-11-81 . [all data]

Zarai, Kadri, et al., 2011
Zarai, Z.; Kadri, A.; Ben Chobba, I.; Ben Mansour, R.; Bekir, R.; Mejdoub, H.; Gharsallah, N., The in-vitro evaluation of antibacterial, antifungal and cytotoxic properties of Marrubium vulgare L. essential oil grown in Tunisia, Lipids in Health and Disease, 2011, 10, 161, 1-8. [all data]

Radulovic, Blagojevic, et al., 2010
Radulovic, N.; Blagojevic, P.; Palic, R., Comparative study of the leaf volatiles of Arctostaphylos uva-ursi (L.) Spreng. and Vaccinium vitis-idaea L. (Ericaceae), Molecules, 2010, 15, 9, 6168-6185, https://doi.org/10.3390/molecules15096168 . [all data]

El-Massry, El-Ghorab, et al., 2009
El-Massry, K.F.; El-Ghorab, A.H.; Shaaban, H.A.; Shibamoto, T., Chemical compositions and antioxidant/antimicrobial activities of various samples prepared from Schinus terebinthifolius leaves cultivated in Egipt, J. Agric. Food Chem., 2009, 57, 12, 5265-5270, https://doi.org/10.1021/jf900638c . [all data]

Scrivanti, Anton, et al., 2009
Scrivanti, L.R.; Anton, A.M.; Zygadlo, J.A., Essential oil conposition of Bothriochloa Kuntze (Poaceae) from South America and their chemotaxonomy, Biochem. Systematics Ecol., 2009, 37, 3, 206-213, https://doi.org/10.1016/j.bse.2009.03.009 . [all data]

Pala-Paul J., Perez-Alonso M.J., et al., 2006
Pala-Paul J.; Perez-Alonso M.J.; Velasco-Negueruela A.; Ballesteros M.T.; Sanz J., Essential oil composition of Sideritis hirsuta L. from Guadalajara Province, Spain, Flavour Fragr. J., 2006, 21, 3, 410-415, https://doi.org/10.1002/ffj.1727 . [all data]

Potzernheim, Bizzo, et al., 2006
Potzernheim, M.C.L.; Bizzo, H.R.; Vieira, R.F., Analysis of the essential oil of three species of Piper collected in the region of the Distrito Federal (Cerrado - Brazilian Savannah) and comparison with oils of plants from region of Paraty, State of Rio de Janeiro (Atlantic Rain Forest), Brazilian Journal of Pharmacognosy, 2006, 16, 2, 246-251. [all data]

Tellez, Khan, et al., 2004
Tellez, M.R.; Khan, I.A.; Schaneberg, B.T.; Crockett, S.L.; Rimando, A.M.; Kobaisy, M., Steam distillation-solid-phase microextraction for the detection of Ephedra sinica in herbal preparations, J. Chromatogr. A, 2004, 1025, 1, 51-56, https://doi.org/10.1016/S0021-9673(03)01035-5 . [all data]

Quiroz, Fuentes-Contreras, et al., 1999
Quiroz, A.; Fuentes-Contreras, E.; Ramírez, C.C.; Russell, G.B.; Niemeyer, H.M., Host-plant chemicals and distribution of Neuquenaphis ON Nothofagus, J. Chem. Ecol., 1999, 25, 5, 1043-1054, https://doi.org/10.1023/A:1020825707922 . [all data]

Weyerstahl, Marschall, et al., 2000
Weyerstahl, P.; Marschall, H.; Splittgerber, U.; Wolf, D.; Surburg, H., Constituents of Haitian vetiver oil, Flavour Fragr. J., 2000, 15, 6, 395-412, https://doi.org/10.1002/1099-1026(200011/12)15:6<395::AID-FFJ930>3.0.CO;2-9 . [all data]

van Beek, Kleis, et al., 1989
van Beek, T.A.; Kleis, R.; Posthumus, M.A.; van Veldhuizen, A., Essential oil of Amyris balsamifera, Phytochemistry, 1989, 28, 7, 1909-1911, https://doi.org/10.1016/S0031-9422(00)97885-3 . [all data]


Notes

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