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Bicyclo[3.1.1]heptan-3-ol, 6,6-dimethyl-2-methylene-


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 N.W. DAVIES, UNIVERSITY OF TASMANIA, TASMANIA, AUSTRALIA
NIST MS number 70261

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


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, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryPB-1130.1146.Engewald, Knobloch, et al., 1991Column length: 42. m; Column diameter: 0.32 mm

Kovats' RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillarySSP-11109.Nagarajan, Rao, et al., 200130. m/0.32 mm/0.25 «mu»m, He, 50. C @ 2. min, 2. K/min, 250. C @ 5. min
CapillaryDB-51141.Loayza, Abujder, et al., 199540. C @ 2. min, 2. K/min, 210. C @ 120. min; Column length: 30. m

Kovats' RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillarySupelcowax-101642.Loayza, Abujder, et al., 199540. C @ 2. min, 2. K/min, 210. C @ 120. min; Column length: 30. m
CapillaryDB-Wax1651.Umano and Shibamoto, 198840. C @ 10. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 220. C

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

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Column type Active phase I Reference Comment
CapillaryRSL-2001147.Ngassoum, Ousmaila, et al., 200430. m/0.32 mm/0.25 «mu»m, H2, 40. C @ 5. min, 6. K/min, 280. C @ 5. min
CapillaryOptima 51134.Vérité, Nacer, et al., 200425. m/0.25 mm/0.25 «mu»m, He, 3. K/min, 280. C @ 20. min; Tstart: 60. C
CapillaryHP-51137.Aligiannis, Kalpoutzakis, et al., 200130. m/0.25 mm/0.25 «mu»m, He, 60. C @ 5. min, 3. K/min; Tend: 280. C
CapillaryHP-51134.Skaltsa, Lazari, et al., 200030. m/0.25 mm/0.25 «mu»m, He, 50. C @ 5. min, 4. K/min; Tend: 280. C
CapillaryHP-1011152.Chung, Eiserich, et al., 1993N2, 3. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 200. C

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

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Column type Active phase I Reference Comment
CapillaryHP-20M1632.Chung, Eiserich, et al., 1993He, 3. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 190. C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-5 MS1138.Zouari, Ayadi, et al., 201230. m/0.25 mm/0.25 «mu»m, Helium, 50. C @ 1. min, 7. K/min, 250. C @ 5. min
CapillaryDB-5 MS1152.Cui, Yang, et al., 201130. m/0.25 mm/0.25 «mu»m, Helium, 3. K/min; Tstart: 60. C; Tend: 270. C
CapillaryHP-5MS1139.Vichi, Riu-Aumatell, et al., 200730. m/0.25 mm/0.25 «mu»m, He, 40. C @ 5. min, 3. K/min, 250. C @ 10. min
CapillaryHP-11128.Fernandez, Lizzani-Cuvelier, et al., 200550. m/0.2 mm/0.25 «mu»m, 60. C @ 60. min, 2. K/min; Tend: 250. C
CapillaryRSL-2001132.Jirovetz, Ngassoum, et al., 200230. m/0.32 mm/0.25 «mu»m, H2, 50. C @ 5. min, 6. K/min, 280. C @ 5. min
CapillaryDB-51138.Schwob, Bessière, et al., 2002He, 3. K/min; Column length: 25. m; Column diameter: 0.2 mm; Tstart: 60. C; Tend: 220. C
CapillaryDB-11117.Sefidkon, Dabiri, et al., 2002He, 4. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tstart: 40. C; Tend: 250. C
CapillaryRSL-2001132.Jirovetz L., Buchbauer G., et al., 200130. m/0.32 mm/0.25 «mu»m, H2, 40. C @ 5. min, 6. K/min, 280. C @ 5. min
CapillaryOV-11141.Kökdil, Kurucu, et al., 199850. m/0.32 mm/0.25 «mu»m, He, 50. C @ 5. min, 10. K/min, 250. C @ 20. min
CapillaryHP-51142.Collin, Deslauriers, et al., 19932. K/min; Tstart: 40. C; Tend: 210. C
CapillaryHP-51143.Collin, Deslauriers, et al., 19932. K/min; Tstart: 40. C; Tend: 210. C
CapillaryOV-1011132.Sugisawa, Yang, et al., 1989N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C
CapillaryOV-1011135.Sugisawa, Yang, et al., 1989N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C

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

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Column type Active phase I Reference Comment
Capillary 1139.Karimi, Farmany, et al., 2011Program: not specified

Normal alkane RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryTC-FFAP1664.Kurose, Okamura, et al., 2007He, 3. K/min, 220. C @ 30. min; Column diameter: 0.25 mm; Phase thickness: 0.25 «mu»m; Tstart: 60. C
CapillaryTC-FFAP1661.Kurose, Okamura, et al., 2007He, 3. K/min, 220. C @ 30. min; Column diameter: 0.25 mm; Phase thickness: 0.25 «mu»m; Tstart: 60. C
CapillarySupelcowax-101690.Vichi, Riu-Aumatell, et al., 200730. m/0.25 mm/0.25 «mu»m, He, 40. C @ 5. min, 3. K/min, 250. C @ 10. min
CapillaryCP-Wax1637.Ka, Choi, et al., 200530. m/0.32 mm/0.25 «mu»m, He, 40. C @ 2. min, 5. K/min; Tend: 180. C
CapillaryDB-Wax1654.Buttery, Light, et al., 200060. m/0.25 mm/0.25 «mu»m, 30. C @ 4. min, 2. K/min, 170. C @ 30. min
CapillaryDB-Wax1654.Umano, Hagi, et al., 200060. m/0.25 mm/0.25 «mu»m, He, 40. C @ 2. min, 2. K/min; Tend: 200. C
CapillarySupelcowax-101653.Collin, Deslauriers, et al., 199340. C @ 2. min, 2. K/min, 210. C @ 120. min
CapillarySupelcowax-101653.Collin, Deslauriers, et al., 199340. C @ 2. min, 2. K/min, 210. C @ 120. min

Normal alkane RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryDB-Wax1661.Seo, Kim, et al., 200760. m/0.25 mm/0.25 «mu»m, He; Program: 40C(3min) => 2C/min => 150C => 4C/min => 200C (20min)

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.

Engewald, Knobloch, et al., 1991
Engewald, W.; Knobloch, T.; Haufe, G.; Muller, M.; Pohris, V., A Novel Method for Terpene Pattern Determination of Essential Oils by Selectivity Tuning in GC, Fresenius' J. Anal. Chem., 1991, 341, 10, 641-643, https://doi.org/10.1007/BF00322279 . [all data]

Nagarajan, Rao, et al., 2001
Nagarajan, S.; Rao, L.J.M.; Gurudutt, K.N., Chemical composition of the volatiles of Hemidesmus indicus R. Br., Flavour Fragr. J., 2001, 16, 3, 212-214, https://doi.org/10.1002/ffj.985 . [all data]

Loayza, Abujder, et al., 1995
Loayza, I.; Abujder, D.; Aranda, R.; Jakupovic, J.; Collin, G.; Deslauriers, H.; Jean, F.-I., Essential oils of Baccharis salicifolia, B. latifolia and B. dracunculifolia, Phytochemistry, 1995, 38, 2, 381-389, https://doi.org/10.1016/0031-9422(94)00628-7 . [all data]

Umano and Shibamoto, 1988
Umano, K.; Shibamoto, T., A new method of headspace sampling: grapefruit volatiles in Flavors and Fragrances: A World Perspective. Proceedings of the 10th International Congress of Essential Oils, Fragrances and Flavors, Lawrence,B.M.; Mookherjee,B.D.; Willis,B.J., ed(s)., Elsevier, New York, 1988, 981-998. [all data]

Ngassoum, Ousmaila, et al., 2004
Ngassoum, M.B.; Ousmaila, H.; Ngamo, L.T.; Maponmetsem, P.M.; Jirovetz, L.; Buchbauer, G., Aroma compounds of essential oils of two varieties of the spice plant Ocimum canum Sims from northern Cameroon, J. Food Comp. Anal., 2004, 17, 2, 197-204, https://doi.org/10.1016/j.jfca.2003.08.002 . [all data]

Vérité, Nacer, et al., 2004
Vérité, P.; Nacer, A.; Kabouche, Z.; Seguin, E., Composition of seeds and stems essential oils of Pituranthos scoparius (Coss. Dur.) Schinz, Flavour Fragr. J., 2004, 19, 6, 562-564, https://doi.org/10.1002/ffj.1353 . [all data]

Aligiannis, Kalpoutzakis, et al., 2001
Aligiannis, N.; Kalpoutzakis, E.; Chinou, I.B.; Mitaku, S.; Gikas, E.; Tsarbopoulos, A., Composition and antimicrobial activity of the essential oils of five taxa of Sideritis from Greece, J. Agric. Food Chem., 2001, 49, 2, 811-815, https://doi.org/10.1021/jf001018w . [all data]

Skaltsa, Lazari, et al., 2000
Skaltsa, H.D.; Lazari, D.M.; Loukis, A.E.; Constantinidis, T., Essential oil analysis of Nepeta argolica Bory Chaub. subsp. argolica (Lamiaceae) growing wild in Greece, Flavour Fragr. J., 2000, 15, 2, 96-99, https://doi.org/10.1002/(SICI)1099-1026(200003/04)15:2<96::AID-FFJ873>3.0.CO;2-F . [all data]

Chung, Eiserich, et al., 1993
Chung, T.Y.; Eiserich, J.P.; Shibamoto, T., Volatile compounds isolated from edible Korean chamchwi (Aster scaber Thunb), J. Agric. Food Chem., 1993, 41, 10, 1693-1697, https://doi.org/10.1021/jf00034a033 . [all data]

Zouari, Ayadi, et al., 2012
Zouari, N.; Ayadi, I.; Fakhfakh, N.; Rebai, A.; Zouari, S., Variations of chemical composition of essential oils in wild-populations of Thymus algeriensis Boiss et Reut., a North African endemic species, Lipids in Health and Desease, 2012, 11, 1, 28-39, https://doi.org/10.1186/1476-511X-11-28 . [all data]

Cui, Yang, et al., 2011
Cui, J.; Yang, X.; Dong, A.-J.; Cheng, D.-Y.; Wang, J.; Zhao, H.-T.; Xu, R.-B.; Wang, P.; Li, W.-J., Chemical composition and antioxidant activity of Wuphorbia fischeriana essential oil from China, J. Med. Plants Res., 2011, 5, 19, 4894-4798. [all data]

Vichi, Riu-Aumatell, et al., 2007
Vichi, S.; Riu-Aumatell, M.; Mora-Pons, M.; Guadayol, J.M.; Buxaderas, S.; López-Tamames, E., Analytical, Nutritional and Clinical Methods. HS-SPME coupled to GC/MS for quality control of Juniperus communis L. berries used for gin aromatization, Food Chem., 2007, 105, 4, 1748-1754, https://doi.org/10.1016/j.foodchem.2007.03.026 . [all data]

Fernandez, Lizzani-Cuvelier, et al., 2005
Fernandez, X.; Lizzani-Cuvelier, L.; Loiseau, A.-M.; Perichet, C.; Delbecque, C.; Arnaudo, J.-F., Chemical composition of the essential oils from Turkish and Honduras Styrax, Flavour Fragr. J., 2005, 20, 1, 70-73, https://doi.org/10.1002/ffj.1370 . [all data]

Jirovetz, Ngassoum, et al., 2002
Jirovetz, L.; Ngassoum, M.B.; Geissler, M., Analysis of the headspace aroma compounds of the seeds of the Cameroonian garlic plant Hua gabonii using SPME/GC/FID, SPME/GC/MS and olfactometry, Eur. Food Res. Technol., 2002, 214, 3, 212-215, https://doi.org/10.1007/s00217-001-0481-y . [all data]

Schwob, Bessière, et al., 2002
Schwob, I.; Bessière, J.-M.; Viano, J., Composition of the essential oils of Hypericum perforatum L. from southeastern France, C.R. Acad. Sci. Ser. 3:, 2002, 325, 781-785. [all data]

Sefidkon, Dabiri, et al., 2002
Sefidkon, F.; Dabiri, M.; Alamshahi, A., Analysis of the essential oil of Nepeta fissa C.A. Mey from Iran, Flavour Fragr. J., 2002, 17, 2, 89-90, https://doi.org/10.1002/ffj.1045 . [all data]

Jirovetz L., Buchbauer G., et al., 2001
Jirovetz L.; Buchbauer G.; Shafi P.M.; Rosamma M.K.; Geissler M., Analysis of the composition and aroma of the essential leaf oil of Syzygium travancoricum from South India by GC-FID, GC-MS, and olfactometry. Seasonal changes of composition, Chromatographia Sup., 2001, 53, S1, s372-s374, https://doi.org/10.1007/BF02490359 . [all data]

Kökdil, Kurucu, et al., 1998
Kökdil, G.; Kurucu, S.; Yildiz, A., Essential oil composition of Nepeta nuda L. ssp. nuda, Flavour Fragr. J., 1998, 13, 4, 233-234, https://doi.org/10.1002/(SICI)1099-1026(1998070)13:4<233::AID-FFJ730>3.0.CO;2-7 . [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]

Sugisawa, Yang, et al., 1989
Sugisawa, H.; Yang, R.H.; Kawabata, C.; Tamura, H., Volatile constituents in the peel oil of sudachi (Citrus sudachi), Agric. Biol. Chem., 1989, 53, 6, 1721-1723, https://doi.org/10.1271/bbb1961.53.1721 . [all data]

Karimi, Farmany, et al., 2011
Karimi, H.; Farmany, A.; Noorizadeh, H., Prediction of linear retention index of Teucrium chamaedrys volatiles in GCxGC-TOF/MS by linear model, World Appl. Sci. J., 2011, 15, 8, 1086-1088. [all data]

Kurose, Okamura, et al., 2007
Kurose, K.; Okamura, D.; Yatagai, M., Composition of the essential oils from the leaves of nine Pinus species and the cones of three of Pinus species, Flavour Fragr. J., 2007, 22, 1, 10-20, https://doi.org/10.1002/ffj.1609 . [all data]

Ka, Choi, et al., 2005
Ka, M.-H.; Choi, E.H.; Chun, H.-S.; Lee, K.-G., Antioxidative Activity of Volatile Extracts Isolated from Angelica tenuissimae Roots, Peppermint Leaves, Pine Needles, and Sweet Flag Leaves, J. Agric. Food Chem., 2005, 53, 10, 4124-4129, https://doi.org/10.1021/jf047932x . [all data]

Buttery, Light, et al., 2000
Buttery, R.G.; Light, D.M.; Nam, Y.; Merrill, G.B.; Roitman, J.N., Volatile components of green walnut husks, J. Agric. Food Chem., 2000, 48, 7, 2858-2861, https://doi.org/10.1021/jf000288b . [all data]

Umano, Hagi, et al., 2000
Umano, K.; Hagi, Y.; Nakahara, K.; Shoji, A.; Shibamoto, T., Volatile chemicals identified in extracts from leaves of Japanese mugwort (Artemisia princeps Pamp.), J. Agric. Food Chem., 2000, 48, 8, 3463-3469, https://doi.org/10.1021/jf0001738 . [all data]

Seo, Kim, et al., 2007
Seo, H.-Y.; Kim, J.-H.; Song, H.-P.; Kim, D.-H.; Byun, M.-W.; Kwon, J.-H.; Kima, K.-S., Effects of gamma irradiation on the yields of volatile extracts of Angelica gigas Nakai, Radiat. Phys. Chem., 2007, 76, 11-12, 1869-1874, https://doi.org/10.1016/j.radphyschem.2007.03.020 . [all data]


Notes

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