Cyclohexene, 3-methyl-6-(1-methylethylidene)-


Mass spectrum (electron ionization)

Go To: Top, Gas Chromatography, 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

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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 NIST Mass Spectrometry Data Center
NIST MS number 413616

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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
CapillaryApiezon L100.1106.Morishita, Okano, et al., 1980Column length: 45. m; Column diameter: 0.25 mm

Kovats' RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-51090.Lucero, Fredrickson, et al., 200630. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C
CapillaryDB-5MS1057.Marongiu, Porcedda, et al., 200630. m/0.25 mm/0.25 μm, He, 3. K/min, 280. C @ 30. min; Tstart: 60. C
CapillaryDB-51088.Adams, Morris, et al., 200530. m/0.26 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 246. C
CapillaryHP-51088.Lopes, Strobl, et al., 200430. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 260. C
CapillaryDB-51084.Viña and Murillo, 200330. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 0.5 K/min, 250. C @ 10. min
CapillaryDB-51082.El-Ghorab, Fadel, et al., 200225. m/0.22 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryDB-51090.Moreira, Sousa, et al., 2001H2, 3. K/min; Column length: 30. m; Column diameter: 0.20 mm; Tstart: 60. C; Tend: 240. C
CapillarySE-541086.Adams, 200030. m/0.26 mm/0.25 μm, 3. K/min; Tstart: 60. C; Tend: 246. C
CapillaryDB-51086.Adams, 2000, 230. m/0.26 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 246. C

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

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Column type Active phase I Reference Comment
CapillaryDB-51086.Moreira, Sousa, et al., 2001H2; Column length: 30. m; Column diameter: 0.20 mm; Program: not specified

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryPEG-20M100.1296.Morishita, Okano, et al., 1980Column length: 75. m; Column diameter: 0.25 mm

Kovats' RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-Wax1270.Lopes, Strobl, et al., 200430. m/0.32 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min; 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
CapillaryDB-51081.Batista-Pereira, Fernandes, et al., 200630. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 3. K/min; Tend: 240. C
CapillaryDB-51081.Batista-Pereira, Fernandes, et al., 200630. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 3. K/min; Tend: 240. C
CapillaryDB-51088.Su, Ho, et al., 200630. m/0.25 mm/0.25 μm, He, 50. C @ 2. min, 5. K/min; Tend: 250. C
CapillaryHP-51068.Couladis, Tsortanidou, et al., 200130. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 380. C
CapillaryMega 5MS1077.Verzera, Trozzi, et al., 200030. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 3. K/min; 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-5MS1087.3Andriamaharavo, 201430. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)
CapillaryCBP-51085.Oliveira, Campos, et al., 200530. m/0.25 mm/0.25 μm, He; Program: 60C => 3C/min => 240C => 10C/min => 280C(10min)
CapillaryCBP-51081.Azevedo, Campos, et al., 200250. m/0.25 mm/0.25 μm, He; Program: 60C(2min) => 3C/min => 240C => 10C/min => 280C(10min)
CapillaryBPX-51108.Elmore, Erbahadir, et al., 199750. m/0.32 mm/0.5 μm, He; Program: 0C (5min) => 40C/min => 40C (2min) => 10C/min => 280C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryOptima-51087.Al-Qudah, Muhaidat, et al., 201230. m/0.25 mm/0.25 μm, Helium, 60. C @ 1. min, 3. K/min; Tend: 246. C
CapillaryHP-5 MS1085.Kotowska, Zalikowski, et al., 201230. m/0.25 mm/0.25 μm, Helium, 35. C @ 5. min, 3. K/min, 300. C @ 15. min
CapillaryHP-5 MS1088.Phungpanya, Thongpoon, et al., 201230. m/0.25 mm/0.25 μm, Helium, 2. K/min; Tstart: 50. C; Tend: 180. C
CapillaryZB-51091.Vazques, Aimar, et al., 201130. m/0.25 mm/0.25 μm, Nitrogen, 40. C @ 5. min, 5. K/min; Tend: 200. C
CapillaryZB-5 MS1082.Boix, Victorio, et al., 201030. m/0.25 mm/0.25 μm, Helium, 5. K/min; Tstart: 60. C; Tend: 290. C
CapillaryDB-5 MS1081.Chalchat, Figueredo, et al., 201025. m/0.30 mm/0.25 μm, Helium, 3. K/min; Tstart: 50. C; Tend: 240. C
CapillaryHP-51086.Miyazawa, Kawauchi, et al., 201030. m/0.25 mm/0.25 μm, Helium, 4. K/min, 260. C @ 5. min; Tstart: 40. C
CapillaryHP-51090.Miyazawa, Kawauchi, et al., 201030. m/0.25 mm/0.25 μm, Helium, 4. K/min, 260. C @ 5. min; Tstart: 40. C
CapillaryDB-5 MS1079.Noudogbessi, Yedomonhan, et al., 200830. m/0.25 mm/0.25 μm, Helium, 50. C @ 5. min, 5. K/min, 300. C @ 5. min
CapillaryDB-5MS1055.Marongiu B., Piras A., et al., 200730. m/0.25 mm/0.25 μm, He, 3. K/min, 280. C @ 30. min; Tstart: 60. C
CapillaryHP-51089.Shafi, Jose, et al., 200625. m/0.2 mm/0.33 μm, N2, 3. K/min; Tstart: 30. C; Tend: 280. C
CapillaryDB-11073.Palá-Paúl, Pérez-Alonso, et al., 200550. m/0.25 mm/0.25 μm, N2, 4. K/min; Tstart: 95. C; Tend: 240. C
CapillaryHP-5MS1083.Setzer, Noletto, et al., 200530. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 3. K/min; Tend: 280. C
CapillaryDB-51083.Maia, da Silva, et al., 200230. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryDB-51080.Ruberto, Biondi, et al., 200230. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 60. C; Tend: 300. C
CapillaryDB-51086.Tellez M., Estell R., et al., 200130. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryDB-51086.Zoghbi, Andrade, et al., 199930. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryDB-51087.Tellez, Estell, et al., 199730. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 240. C

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

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Column type Active phase I Reference Comment
CapillaryDB-11064.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-5 MS1086.Kotowska, Zalikowski, et al., 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryZB-51091.Vazques, Aimar, et al., 201130. m/0.25 mm/0.25 μm, Nitrogen; Program: not specified
CapillaryHP-5MS1071.Ning, Zheng, et al., 200830. m/0.25 mm/0.25 μm, He; Program: 40 0C (2 min) 3 0C/min -> 180 0C (2 min) 15 0C -> 280 0C
CapillaryDB-11064.Nogueira, Marcelo-Curto, et al., 200830. m/0.25 mm/0.25 μm, He; Program: 45C => 3C/min => 175C => 15C/min => 300C (10min)
CapillaryCP Sil 8 CB1088.Mockute, Bernotiene, et al., 200750. m/0.32 mm/0.25 μm, He; Program: 60 0C (2 min) 5 0C/min -> 160 0C 5 0C/min -> 250 0C (10 min)
CapillarySPB-51078.Iriti, Colnaghi, et al., 200660. m/0.32 mm/1. μm, He; Program: 60C => 1C/min => 130C => 2C/min => 200C => 4C/min => 250C(40min)
CapillaryCP Sil 8 CB1088.Mockute, Bernotiene, et al., 200650. m/0.32 mm/0.25 μm, He; Program: 60 0C (2 min) 5 0C/min -> 160 0C 10 0C/min -> 250 0C (5 min)
CapillarySE-521088.Tognolini, Barocelli, et al., 200630. m/0.32 mm/0.15 μm, He; Program: 45C => 1C/min => 100C => 5C/min => 250C (10min)
CapillaryCP Sil 8 CB1088.Radudienë, Judpintienë, et al., 200550. m/0.32 mm/0.25 μm, He; Program: 60C(2min) => 5C/min => 160C(1min) => 10C/min => 250C (3min)
CapillarySE-301068.Vinogradov, 2004Program: not specified
CapillaryDB-51085.Isidorov, Zenkevich, et al., 1997Program: not specified
CapillaryMethyl Silicone1067.Zenkevich, 1996Program: not specified

Normal alkane RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-Wax1272.Miyazawa, Kawauchi, et al., 201015. m/0.25 mm/0.25 μm, Helium, 4. K/min, 260. C @ 5. min; Tstart: 40. C
CapillaryDB-Wax1331.Chida, Sone, et al., 200460. m/0.25 mm/0.5 μm, 35. C @ 5. min, 4. K/min, 240. C @ 10. min

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryHP Innowax FSP1286.Wedge, Klun, et al., 200960. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C (20 min)
CapillaryCarbowax 20M1286.Vinogradov, 2004Program: not specified
CapillaryInnowax FSC1286.Baser, Demirei, et al., 200260. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryInnowax FSC1286.Kirimer, Tabanca, et al., 199960. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C

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.

Morishita, Okano, et al., 1980
Morishita, F.; Okano, T.; Kojima, T., Retention indices of monocyclic monoterpene hydrocarbons, Bunseki Kagaku, 1980, 29, 1, 48-53, https://doi.org/10.2116/bunsekikagaku.29.48 . [all data]

Lucero, Fredrickson, et al., 2006
Lucero, M.E.; Fredrickson, E.L.; Estell, R.E.; Morrison, A.A.; Richman, D.B., Volatile Composition of Gutierrezia sarothrae (Broom Snakeweed) as Determined by Steam Distillation and Solid Phase Microextraction, J. Essent. Oil Res., 2006, 18, 2, 121-125, https://doi.org/10.1080/10412905.2006.9699039 . [all data]

Marongiu, Porcedda, et al., 2006
Marongiu, B.; Porcedda, S.; Piras, A.; Sanna, G.; Murreddu, M.; Loddo, R., Extraction of Juniperus communis L. ssp. nana Willd. essential oil by supercritical carbon dioxide, Flavour Fragr. J., 2006, 21, 1, 148-154, https://doi.org/10.1002/ffj.1549 . [all data]

Adams, Morris, et al., 2005
Adams, R.P.; Morris, J.A.; Pandey, R.N.; Schwarzbach, A.E., Cryptic speciation between Juniperus deltoides and Juniperus oxycedrus (Cupressaceae) in the Mediterranean, Biochem. Syst. Ecol., 2005, 33, 8, 771-787, https://doi.org/10.1016/j.bse.2005.01.001 . [all data]

Lopes, Strobl, et al., 2004
Lopes, D.; Strobl, H.; Kolodziejczyk, P., 14-Methylpentadecano-15-lactone (Muscolide): a new macrocyclic lactone from the oil of Angelica archangelica L., Chemistry and Biodiversity, 2004, 1, 12, 1880-1887, https://doi.org/10.1002/cbdv.200490144 . [all data]

Viña and Murillo, 2003
Viña, A.; Murillo, E., Essential oil composition from twelve varieties of basil (Ocimum spp) grown in Columbia, J. Braz. Chem. Soc., 2003, 14, 5, 744-749, https://doi.org/10.1590/S0103-50532003000500008 . [all data]

El-Ghorab, Fadel, et al., 2002
El-Ghorab, A.H.; Fadel, H.M.; El-Massry, K.F., The Egyptian Eucalyptus camaldulensis var. brevirostris: chemical compositions of the fruit volatile oil and antioxidant activity, Flavour Fragr. J., 2002, 17, 4, 306-312, https://doi.org/10.1002/ffj.1085 . [all data]

Moreira, Sousa, et al., 2001
Moreira, D.L.; Sousa, P.O.; Pereira, N.A.; Cardoso, G.L., Effect of leaf essential oil from Piper solmsianum C.DC. in mice behaviour, An. Acad. Bras. Cienc., 2001, 73, 1, 1-7, https://doi.org/10.1590/S0001-37652001000100004 . [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]

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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]

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Batista-Pereira, L.G.; Fernandes, J.B.; Correa, A.G.; da Silva, M.F.G.F.; Vieira, P.C., Electrophysiological responses of eucalyptus brown looper Thyrinteina arnobia to essential oils of seven Eucalyptus species, J. Braz. Chem. Soc., 2006, 17, 3, 555-561, https://doi.org/10.1590/S0103-50532006000300019 . [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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Couladis, M.; Tsortanidou, V.; Francisco-Ortega, J.; Santos-Guerra, A.; Harvala, C., Composition of the essential oils of Argyranthemum species growing in the Canary Islands, Flavour Fragr. J., 2001, 16, 2, 103-106, https://doi.org/10.1002/ffj.954 . [all data]

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Verzera, A.; Trozzi, A.; Cotroneo, A.; Lorenzo, D.; Dellacassa, E., Uruguayan essential oil. 12. Composition of Nova and Satsuma mandarin oils, J. Agric. Food Chem., 2000, 48, 7, 2903-2909, https://doi.org/10.1021/jf990734z . [all data]

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Chalchat, J.-C.; Figueredo, G.; Ozcan, M.M.; Unver, A., Effect of hydrodistillation and microwave distillation extraction methods on chemical composition of essential oil of pickling herb and myrtle plants, South Western J. of Agriculture, 2010, 1, 2, 133-141. [all data]

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Shafi, P.M.; Jose, B.; Radhamani, K.T.; Clery, R.A., Influence of pH on essential oil composition of Zanthoxylum rhetsa seeds obtained by steam distillation, Flavour Fragr. J., 2006, 21, 2, 317-318, https://doi.org/10.1002/ffj.1598 . [all data]

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Palá-Paúl, J.; Pérez-Alonso, M.; Velasco-Negueruela, A.; Vadaré, J.; Villa, A.M.; Sanz, J.; Brophy, J.J., Analysis of the essential oil composition from the different parts of Eryngium glaciale Boiss. from Spain, J. Chromatogr. A, 2005, 1094, 1-2, 179-182, https://doi.org/10.1016/j.chroma.2005.09.029 . [all data]

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Maia, J.G.S.; da Silva, M.H.L.; Andrade, E.H.A.; Zoghbi, M.G.B.; Carreira, L.M.M., Essential oils from Astronium urundeuva (Allemao) Engl. and A. fraxinifolium Schott ex Spreng., Flavour Fragr. J., 2002, 17, 1, 72-74, https://doi.org/10.1002/ffj.1046 . [all data]

Ruberto, Biondi, et al., 2002
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Tellez M., Estell R., et al., 2001
Tellez M.; Estell R.; Fredrickson E.; Powell J.; Wedge D.; Schrader K.; Kobaisy M., Extracts of Flourensia cernua (L): Volatile constituents and antifungal, antialgal, and antitermite bioactivities, J. Chem. Ecol., 2001, 27, 11, 2263-2273, https://doi.org/10.1023/A:1012283005014 . [all data]

Zoghbi, Andrade, et al., 1999
Zoghbi, M.G.B.; Andrade, E.H.A.; Maia, J.G.S., The essential oil of Vitex angus-castus L. growing in the Amazon region, Flavour Fragr. J., 1999, 14, 4, 211-213, https://doi.org/10.1002/(SICI)1099-1026(199907/08)14:4<211::AID-FFJ812>3.0.CO;2-W . [all data]

Tellez, Estell, et al., 1997
Tellez, M.R.; Estell, R.E.; Frederickson, E.L.; Havstad, K.M., Essntial oil of Flourensia cernua DC, J. Essent. Oil Res., 1997, 9, 6, 619-624, https://doi.org/10.1080/10412905.1997.9700799 . [all data]

Albano, Lima, et al., 2012
Albano, S.M.; Lima, A.S.; Miguel, M.G.; Pedro, L.G.; Barroso, J.G.; Figueiredo, A.C., Antioxidant, anti-5-lipoxygenase and antiacetylcholinesterase activities of essential oils and decoction water of some aromatic plants, Rec. Nat. Prod., 2012, 6, 1, 35-48. [all data]

Ning, Zheng, et al., 2008
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Notes

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