Bicyclo[3.1.1]heptane, 6-methyl-2-methylene-6-(4-methyl-3-pentenyl)-, [1R-(1α,5α,6β)]-


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 R.SELF AGRICULTURAL RES., FOOD RES. INSTITUTE, NORWICH, U.K.
NIST MS number 9221

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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, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryEC-1130.1475.Szafranek, Chrapkowska, et al., 200530. m/0.25 mm/0.25 μm
CapillaryEC-1150.1485.Szafranek, Chrapkowska, et al., 200530. m/0.25 mm/0.25 μm

Kovats' RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryBP-51486.Weissbecker B., Van Loon J.J.A., et al., 200025. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 200. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryEquity-5MS1433.Belsito E.L., Carbone C., et al., 200730. m/0.25 mm/0.25 μm, He, 3. K/min, 250. C @ 10. min; Tstart: 50. C
CapillaryRTX-11479.Paolini J., Costa J., et al., 200760. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C
CapillaryRTX-11479.Paolini, Muselli, et al., 200760. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C
CapillaryBP-11476.Boti J.B., Koukoua G., et al., 200550. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C
CapillaryRTX-11479.Paolini, Costa, et al., 200560. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C
CapillaryDB-51436.Nogueira, Bittrich, et al., 200130. m/0.25 mm/0.25 μm, H2, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryBP-11439.Sinyinda and Gramshaw, 1998He, 5. C @ 5. min, 5. K/min, 250. C @ 30. min; Column length: 25. m; Column diameter: 0.32 mm
CapillaryDB-11438.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, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1586.Stashenko, Wiame, et al., 199560. m/0.20 mm/0.20 μm, He, 70. C @ 5. min, 2. K/min; Tend: 180. C

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5 MS1470.Sandoval-Montemayor, Garcia, et al., 201225. m/0.20 mm/0.30 μm, Helium, 40. C @ 2. min, 10. K/min, 260. C @ 20. min
CapillaryCP Sil 5 CB1480.Ayoub, Al-Azizi, et al., 2006He, 10. K/min; Column length: 25. m; Tstart: 80. C; Tend: 270. C
CapillaryMethyl Silicone1471.Tonzibo, Coffy, et al., 200625. m/0.3 mm/0.15 μm, N2, 50. C @ 5. min, 2. K/min; Tend: 210. C
CapillaryRTX-51484.Szafranek, Chrapkowska, et al., 200530. m/0.25 mm/0.25 μm, 3. K/min; Tstart: 60. C; Tend: 220. C
CapillaryDB-51446.Limberger, Simões-Pires, et al., 200330. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 250. C
CapillaryOV-1011430.Boyom, Keumedjio, et al., 20025. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 50. C; Tend: 200. C
CapillaryDB-5MS1436.Phutdhawong, Korth, et al., 200230. m/0.32 mm/0.25 μm, He, 4. K/min, 280. C @ 5. min; Tstart: 40. C
CapillaryCP Sil 5 CB1467.Asekun and Ekundayo, 199925. m/0.25 mm/0.15 μm, H2, 3. K/min; Tstart: 50. C; Tend: 320. C
CapillaryOV-11424.Oberhofer, Nikiforov, et al., 199925. m/0.25 mm/0.25 μm, H2, 40. C @ 5. min, 3. K/min, 220. C @ 5. min
CapillaryDB-51435.Elias, Simoneit, et al., 199730. m/0.25 mm/0.25 μm, He, 65. C @ 2. min, 4. K/min; Tend: 300. C
CapillaryDB-11438.Sagrero-Nieves and Bartley, 199660. m/0.32 mm/0.50 μm, He, 50. C @ 1. min, 8. K/min, 250. C @ 6. min
CapillarySE-301427.Ramaswami, Briscese, et al., 198850. C @ 2. min, 4. K/min, 240. C @ 10. min; Column length: 30. m
CapillarySE-301427.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

View large format table.

Column type Active phase I Reference Comment
CapillaryCP-Sil 5 CB1475.Gros, Nizet, et al., 201150. m/0.32 mm/1.20 μm, Nitrogen; Program: 36 0C 20 0C/min -> 85 0C 1 0C/min -> 145 0C 3 0C/min -> 250 0C (30 min)
CapillaryCB-11490.Kannaste, Vongvanich, et al., 200830. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (2 min) 4 0C/min -> 180 0C 20 0C/min -> 220 0C (1 min)
CapillaryCB-11480.Kannaste, Vongvanich, et al., 200830. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryZB-51479.Piskorski R., Hanus R., et al., 200730. m/0.25 mm/0.25 μm; Program: 60C => 3C/min => 240C 20C/min => 320C
CapillaryMethyl Silicone1490.Zenkevich, 1996Program: not specified

Normal alkane RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-FFAP1596.Osorio, Carriazo, et al., 201130. m/0.32 mm/0.25 μm, Helium, 50. C @ 4. min, 4. K/min, 250. C @ 5. min
CapillaryTC-FFAP1588.Kurose and Yatagai, 200560. m/0.25 mm/0.4 μm, He, 3. K/min, 220. C @ 30. min; Tstart: 60. C
CapillaryInnowax FSC1594.Lourens, Reddy, et al., 2004Helium, 60. C @ 10. min, 4. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 220. C
CapillaryInnowax1594.Suleimenov, Atazharova, et al., 2003He, 60. C @ 10. min, 4. K/min, 220. C @ 10. min; Column length: 60. m; Column diameter: 0.25 mm
CapillaryCarbowax 20M1586.Kasali, Winterhalter, et al., 200230. m/0.25 mm/0.325 μm, He, 4. K/min, 215. C @ 20. min; Tstart: 50. C
CapillaryDB-Wax1593.Tu, Thanh, et al., 200260. m/0.25 mm/0.25 μm, N2, 2. K/min; Tstart: 70. C; Tend: 230. C
CapillaryInnowax1594.Kaya, Baser, et al., 199960. m/0.25 mm/0.25 μm, He, 60. C @ 10. min; Tend: 220. C
CapillaryHP-Innowax1594.Kaya, Baser, et al., 1999, 260. m/0.25 mm/0.25 μm, He, 60. C @ 10. min; Tend: 220. C
CapillaryDB-Wax1591.Sagrero-Nieves and Bartley, 199660. m/0.32 mm/0.50 μm, He, 50. C @ 1. min, 8. K/min, 250. C @ 6. min
CapillarySupelcowax-101586.Ramaswami, Briscese, et al., 198850. C @ 2. min, 4. K/min, 240. C @ 10. min; Column length: 30. m
CapillarySupelcowax-101586.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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-Innowax FSC1594.Tabanca N., Demirci B., et al., 200760. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryHP Innowax FSP1594.Tabanca N., Demirci B., et al., 2007, 260. m/0.25 mm/0.25 μm, N2; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryHP-Innowax FSC1594.Suleimenov Y.M., Atazhanova G.A., et al., 200660. m/0.25 mm/0.25 μm, He; Program: 60(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryHP-Innowax FSC1595.Tabanca, Demirci, et al., 200660. m/0.25 mm/0.25 μm; Program: 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C
CapillaryHP-Innowax FSC1594.Tabanca, Demirci, et al., 2006, 260. m/0.25 mm/0.25 μm, N2; Program: 60C(10min) => 4C/min => 220C => (10min) => 1C/min => 240C
CapillaryInnowax FSC1594.Tosun, Kürkcüoglu, et al., 200660. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C
CapillaryHP-Innowax1594.Duman, Kartal, et al., 200560. m/0.25 mm/0.25 μm, N2; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryHP-Innowax FSC1594.Tabanca, Demirci, et al., 200560. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryHP-Innowax FSC1594.Demirci, Paper, et al., 200460. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryInnowax FSC1594.Baser, Demirci, et al., 200360. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C
CapillaryHP-Innowax FSC1594.Tabanca, Kirimer, et al., 200160. m/0.25 mm/0.25 μm; Program: 60C(10min) => 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.

Szafranek, Chrapkowska, et al., 2005
Szafranek, B.; Chrapkowska, K.; Pawinska, M.; Szafranek, J., Analysis of leaf surface sesquiterpenes in potato varieties, J. Agric. Food Chem., 2005, 53, 8, 2817-2822, https://doi.org/10.1021/jf040437g . [all data]

Weissbecker B., Van Loon J.J.A., et al., 2000
Weissbecker B.; Van Loon J.J.A.; Posthumus M.A.; Bouwmeester H.J.; Dicke M., Identification of volatile potato sesquiterpenoids and their olfactory detection by the two-spotted stinkbug Perillus bioculatus, J. Chem. Ecol., 2000, 26, 6, 1433-1445, https://doi.org/10.1023/A:1005535708866 . [all data]

Belsito E.L., Carbone C., et al., 2007
Belsito E.L.; Carbone C.; Di Gioia M.L.; Leggio A.; Liguoiri A.; Perri F.; Siciliano C.; Viscomi M.C., Comparison of the volatile constituents in cold-pressed bergamot oil and a volatile oil isolated by vacuum distillation, J. Agric. Food Chem., 2007, 55, 19, 7847-7851, https://doi.org/10.1021/jf070997q . [all data]

Paolini J., Costa J., et al., 2007
Paolini J.; Costa J.; Bernardini A.F., Analysis of the essential oil from the roots of Eupatorium cannabinum subsp corsicum (L.) by GC, GC-MS and C-13-NMR, Phytochem. Anal., 2007, 18, 3, 235-244, https://doi.org/10.1002/pca.977 . [all data]

Paolini, Muselli, et al., 2007
Paolini, J.; Muselli, A.; Bernardini, A.-F.; Bighelli, A.; Casanova, J.; Costa, J., Thymol derivatives from essential oil of Doronicum corsicum L., Flavour Fragr. J., 2007, 22, 6, 479-487, https://doi.org/10.1002/ffj.1824 . [all data]

Boti J.B., Koukoua G., et al., 2005
Boti J.B.; Koukoua G.; N'Guessan T.Y.; Muselli A.; Bernardini A.F.; Casanova J., Composition of the leaf, stem bark and root bark oils of Isolona cooperi investigated by GC (retention index), GC-MS and C-13-NMR spectroscopy, Phytochem. Anal., 2005, 16, 5, 357-363, https://doi.org/10.1002/pca.857 . [all data]

Paolini, Costa, et al., 2005
Paolini, J.; Costa, J.; Bernardini, A., Analysis of the essential oil from aerial parts of Eupatorium cannabinum subsp. corsicum (L.) by gas chromatography with electron impact and chemical ionization mass spectrometry, J. Chromatogr. A, 2005, 1076, 1-2, 170-178, https://doi.org/10.1016/j.chroma.2005.03.131 . [all data]

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Nogueira, P.C.L.; Bittrich, V.; Shepherd, G.J.; Lopes, A.V.; Marsaioli, A.J., The ecological and taxonomic importance of flower volatiles of Clusia species (Guttiferae), Phytochemistry, 2001, 56, 5, 443-452, https://doi.org/10.1016/S0031-9422(00)00213-2 . [all data]

Sinyinda and Gramshaw, 1998
Sinyinda, S.; Gramshaw, J.W., Volatiles of avocado fruit, Food Chem., 1998, 62, 4, 483-487, https://doi.org/10.1016/S0308-8146(97)00190-8 . [all data]

Stashenko, Wiame, et al., 1995
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]

Sandoval-Montemayor, Garcia, et al., 2012
Sandoval-Montemayor, N.E.; Garcia, A.; Elizondo-Trevino, E.; Garza-Gonzales, E.; Alvarez, L.; Camacho-Corona, M. delR., Chemical composition of hexane extract of Citrus aurantifolia and anti-mycobacterium tuberculosis activity of some of its constituents, Molecules, 2012, 17, 12, 11173-11184, https://doi.org/10.3390/molecules170911173 . [all data]

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Ayoub, N.; Al-Azizi, M.; König, W.; Kubeczka, K.-H., Essential oils and a novel polyacetylene from Eryngium yuccifolium Michaux. (Apiaceae), Flavour Fragr. J., 2006, 21, 6, 864-868, https://doi.org/10.1002/ffj.1631 . [all data]

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Tonzibo, Z.F.; Coffy, A.A.; Chalachat, J.C.; N'guessan, Y.T., Chemical composition of essential oils of Hoslundia opposita Vahl. from Ivory Coast., Flavour Fragr. J., 2006, 21, 5, 789-791, https://doi.org/10.1002/ffj.1715 . [all data]

Limberger, Simões-Pires, et al., 2003
Limberger, R.P.; Simões-Pires, C.A.; Sobral, M.; Menut, C.; Bessiere, J.-M.; Henriques, A.T., Essential oils of six Gomidesia spp. from southern Brazil, Flavour Fragr. J., 2003, 18, 2, 144-147, https://doi.org/10.1002/ffj.1122 . [all data]

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Phutdhawong, W.; Korth, J.; Buddhasukh, D.; Pyne, S.G., Volatile components from Cephalotaxus griffithii growing in northern Thailand, Flavour Fragr. J., 2002, 17, 2, 153-155, https://doi.org/10.1002/ffj.1064 . [all data]

Asekun and Ekundayo, 1999
Asekun, O.T.; Ekundayo, O., Constituents of the leaf essential oil of Cedrela odorata L. from Nigeria, Flavour Fragr. J., 1999, 14, 6, 390-392, https://doi.org/10.1002/(SICI)1099-1026(199911/12)14:6<390::AID-FFJ850>3.0.CO;2-3 . [all data]

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Suleimenov, E.M.; Atazharova, G.A.; Demirchi, B.; Baser, K.H.C.; Adekenov, S.M., Essential oil composition of Artemisia Lercheana and A. Sieversiana of Kazakhstan flora in Recent problems of development of new medicines of natural origin, Proceedings of symposium, St.Petersburg - Pushkin, 2003, 382-385. [all data]

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Tu, Thanh, et al., 2002
Tu, N.T.M.; Thanh, L.X.; Une, A.; Ukeda, H.; Sawamura, M., Volatile constituents of Vietnamese pummelo, orange, tangerine and lime peel oils, Flavour Fragr. J., 2002, 17, 3, 169-174, https://doi.org/10.1002/ffj.1076 . [all data]

Kaya, Baser, et al., 1999
Kaya, A.; Baser, K.H.C.; Demirci, B.; Koca, F., The essential oil of Acinos alpinus (L.) Moench growing in Turkey, Flavour Fragr. J., 1999, 14, 1, 55-59, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<55::AID-FFJ784>3.0.CO;2-Q . [all data]

Kaya, Baser, et al., 1999, 2
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Tabanca N., Demirci B., et al., 2007
Tabanca N.; Demirci B.; Baser K.H.C.; Mincsovics E.; Khan S.I.; Jacob M.R.; Wedge D.E., Characterization of volatile constituents of Scaligeria tripartita and studies on the antifungal activity against phytopathogenic fungi, J. Chromatogr. B, 2007, 850, 1-2, 221-229, https://doi.org/10.1016/j.jchromb.2006.11.041 . [all data]

Tabanca N., Demirci B., et al., 2007, 2
Tabanca N.; Demirci B.; Crockett S.L.; Baser K.H.C.; Wedge D.E., Chemical composition and antifungal activity of Arnica longifolia, Aster hesperius, and Chrysothamnus nauseosus essential oils, J. Agric. Food Chem., 2007, 55, 21, 8430-8435, https://doi.org/10.1021/jf071379c . [all data]

Suleimenov Y.M., Atazhanova G.A., et al., 2006
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Tabanca, Demirci, et al., 2006
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Notes

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