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Cyclohexanone, 5-methyl-2-(1-methylethenyl)-, trans-


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

Spectrum

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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.
NIST MS number 4818

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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, temperature ramp

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Column type Active phase I Reference Comment
CapillaryOV-1011157.von Poser, Menut, et al., 199625. m/0.25 mm/0.25 «mu»m, N2, 5. K/min; Tstart: 50. C; Tend: 200. C

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

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Column type Active phase I Reference Comment
CapillaryAT-51188.Rojas and Usubillaga, 200060. m/0.25 mm/0.25 «mu»m, He; Program: 60 C (1 min) 4 K/min -> 200 C 10 K/min -> 280 C

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

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Column type Active phase I Reference Comment
CapillaryHP-51177.Benzo, Gilardoni, et al., 200730. m/0.25 mm/0.25 «mu»m, He, 40. C @ 1. min, 5. K/min, 250. C @ 10. min
CapillaryBP-11159.Castilho, Liu, et al., 200750. m/0.22 mm/0.25 «mu»m, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryBPX-51192.Cardeal, da Silva, et al., 200630. m/0.25 mm/0.25 «mu»m; Program: 35C(5min) => 3C/min => 210C => 40C/min => 240C (4min)
CapillarySE-521167.Lorenzo, Paz, et al., 200230. m/0.32 mm/0.42 «mu»m, H2; Program: 60C(8min) => 3C/min => 180C => 20C/min => 250C(10min)

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

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Column type Active phase I Reference Comment
CapillaryBP-201592.Castilho, Liu, et al., 200750. m/0.22 mm/0.25 «mu»m, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-51193.Bertoli, Lepnardi, et al., 201130. m/0.25 mm/0.25 «mu»m, Helium, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryHP-51208.Bertoli, Lepnardi, et al., 201130. m/0.25 mm/0.25 «mu»m, Helium, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryHP-5MS1160.Li and Jiang, 200430. m/0.25 mm/0.25 «mu»m, He, 50. C @ 2. min, 5. K/min, 230. C @ 10. min
CapillaryBPX-51199.Vilaseca, Guy, et al., 200425. m/0.22 mm/1. «mu»m, He, 60. C @ 5. min, 3. K/min, 250. C @ 10. min
CapillaryDB-51155.Phatak and Heble, 200230. m/0.25 mm/0.25 «mu»m, He, 70. C @ 3. min, 3. K/min, 250. C @ 2. min
CapillaryOV-11152.Oberhofer, Nikiforov, et al., 199925. m/0.25 mm/0.25 «mu»m, H2, 40. C @ 5. min, 3. K/min, 220. C @ 5. min

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

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Column type Active phase I Reference Comment
CapillarySPB-11155.Díaz-Maroto, Castillo, et al., 200750. m/0.25 mm/0.25 «mu»m; Program: 70C(3min) => 4C/min => 120C => 8C/min => 250C(5min)
CapillarySPB-11155.Díaz-Maroto, Castillo, et al., 200750. m/0.25 mm/0.25 «mu»m; Program: 70C(3min) => 4C/min => 120C => 8C/min => 250C(5min)
CapillaryHP-5 MS1175.Formisano, Rigano, et al., 200730. m/0.25 mm/0.25 «mu»m, Helium; Program: 40 0C (5 min) 2 0C/min -> 250 0C (15 min) 10 0C/min -> 270 0C
CapillaryDB-51175.Vilaseca, Guy, et al., 2004Program: not specified

Normal alkane RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-Innowax1582.Formisano, Rigano, et al., 200730. m/0.25 mm/0.25 «mu»m, Helium, 40. C @ 5. min, 2. K/min; Tend: 250. C
CapillaryHP-Innowax1597.Kaya, Baser, et al., 199960. m/0.25 mm/0.25 «mu»m, He, 60. C @ 10. min; Tend: 220. C
CapillaryHP-Innowax FSC1597.Baser, Kirimer, et al., 1997He, 60. C @ 10. min, 4. K/min, 240. C @ 10. min; Column length: 60. m; Column diameter: 0.25 mm

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryInnowax FSC1598.Demirci, Temel, et al., 201160. m/0.25 mm/0.25 «mu»m, Helium; Program: 60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C
CapillaryInnowax FSC1597.Baser, Özek, et al., 200460. m/0.25 mm/0.25 «mu»m, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryHP-Innowax1598.Baser, Demirci, et al., 200260. m/0.25 mm/0.25 «mu»m, He; Program: 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/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.

von Poser, Menut, et al., 1996
von Poser, G.L.; Menut, C.; Toffoli, M.E.; Vérin, P.; Sobral, M.; Bessière, J.-M.; Lamaty, G.; Henriques, A.T., Essential oil composition and allelopathic effect of the Brazilian Lamiaceae Hesperozygis ringens (Benth.) Epling and Hesperozygis rhododon Epling, J. Agric. Food Chem., 1996, 44, 7, 1829-1832, https://doi.org/10.1021/jf950653c . [all data]

Rojas and Usubillaga, 2000
Rojas, L.B.; Usubillaga, A., Composition of the essential oil fo Satureja brownei (SW.) Briq. from Venezuela, Flavour Fragr. J., 2000, 15, 1, 21-22, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<21::AID-FFJ861>3.0.CO;2-G . [all data]

Benzo, Gilardoni, et al., 2007
Benzo, M.; Gilardoni, G.; Gandini, C.; Caccialanza, G.; Finzi, P.V.; Vidari, G.; Abdo, S.; Layedra, P., Determination of the threshold odor concentration of main odorants in essential oils using gas chromatography-olfactometry incremental dilution technique, J. Chromatogr. A, 2007, 1150, 1-2, 131-135, https://doi.org/10.1016/j.chroma.2007.02.031 . [all data]

Castilho, Liu, et al., 2007
Castilho, P.; Liu, K.; Rodrigues, A.I.; Feio, S.; Tomi, F.; Casanova, J., Composition and antimicrobial activity of the essential oil of Clinopodium ascendens (Jordan) Sampaio from Madeira, Flavour Fragr. J., 2007, 22, 2, 139-144, https://doi.org/10.1002/ffj.1771 . [all data]

Cardeal, da Silva, et al., 2006
Cardeal, Z.L.; da Silva, M.D.R.G.; Marriott, P.J., Comprehensive two-dimensional gas chromatography/mass spectrometric analysis of pepper volatiles, Rapid Commun. Mass Spectrom., 2006, 20, 19, 2823-2836, https://doi.org/10.1002/rcm.2665 . [all data]

Lorenzo, Paz, et al., 2002
Lorenzo, D.; Paz, D.; Dellacassa, E.; Davies, P.; Vila, R.; Cañigueral, S., Essential oils of Mentha pulegium and Mentha rotundifolia from Uruguay, Braz. Arch. Biol. Technol., 2002, 45, 4, 519-524, https://doi.org/10.1590/S1516-89132002000600016 . [all data]

Bertoli, Lepnardi, et al., 2011
Bertoli, A.; Lepnardi, M.; Krzyzanowska, J.; Oleszek, W.; Pistelli, L., Mentha longifolia in vitro cultures as safe source of flavouring ingradients, Acta Biochem. Polonica, 2011, 58, 4, 581-587. [all data]

Li and Jiang, 2004
Li, R.; Jiang, Z.-T., Chemical composition of the essential oil of Cuminum cyminum L. from China, Flavour Fragr. J., 2004, 19, 4, 311-313, https://doi.org/10.1002/ffj.1302 . [all data]

Vilaseca, Guy, et al., 2004
Vilaseca, A.; Guy, I.; Charles, B.; Guinaudeau, H.; de Arias, A.R.; Fournet, A., Chemical composition and insecticidal activity of Hedeoma mandoniana essential oils, J. Essent. Oil Res., 2004, 16, 4, 380-383, https://doi.org/10.1080/10412905.2004.9698749 . [all data]

Phatak and Heble, 2002
Phatak, S.V.; Heble, M.R., Organogenesis and terpenoid synthesis in Mentha arvensis, Fitoterapia, 2002, 73, 1, 32-39, https://doi.org/10.1016/S0367-326X(01)00347-1 . [all data]

Oberhofer, Nikiforov, et al., 1999
Oberhofer, B.; Nikiforov, A.; Buchbauer, G.; Jirovetz, L.; Bicchi, C., Investigation of the alteration of the composition of various essential oils used in aroma lamp applications, Flavour Fragr. J., 1999, 14, 5, 293-299, https://doi.org/10.1002/(SICI)1099-1026(199909/10)14:5<293::AID-FFJ829>3.0.CO;2-T . [all data]

Díaz-Maroto, Castillo, et al., 2007
Díaz-Maroto, M.C.; Castillo, N.; Castro-Vázquez, L.; González-Viñas, M.A.; Pérez-Coello, M.S., Volatile composition and olfactory profile of pennyroyal (Mentha pulegium L.) plants, Flavour Fragr. J., 2007, 22, 2, 114-118, https://doi.org/10.1002/ffj.1766 . [all data]

Formisano, Rigano, et al., 2007
Formisano, C.; Rigano, D.; Napolitano, F.; Senatore, F.; Arnold, N.A.; Piozzi, F.; Rosselli, S., Volatile constituents of Calamintha ariganifolia Boiss. growing wild in Lebanon, Natural Product Communications, 2007, 2, 12, 1253-1256. [all data]

Kaya, Baser, et al., 1999
Kaya, A.; Baser, K.H.C.; Tümen, G.; Koca, F., The essential oil of Acinos suaveolens (Sm.) G. Don fil. Acinos arvensis (Lam.) Dandy and Acinos rotundifolius Pers. growing wild in Turkey, Flavour Fragr. J., 1999, 14, 1, 60-64, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<60::AID-FFJ785>3.0.CO;2-0 . [all data]

Baser, Kirimer, et al., 1997
Baser, K.H.C.; Kirimer, N.; Duman, H., Composition of the essential oil of Micromeria dolichodontha P. H. Davis, Flavour Fragr. J., 1997, 12, 4, 289-291, https://doi.org/10.1002/(SICI)1099-1026(199707)12:4<289::AID-FFJ640>3.0.CO;2-A . [all data]

Demirci, Temel, et al., 2011
Demirci, B.; Temel, H.E.; Portakai, T.; Kirmizibekmez, H.; Demirci, F.; Baser, K.H.C., Inhibitory effect of Calamintha neleta subsp. glandulosa essential oil on lipoxygenase, Turk. J. Biochem., 2011, 36, 4, 290-295. [all data]

Baser, Özek, et al., 2004
Baser, K.H.C.; Özek, T.; Kirimer, N.; Deliorman, D.; Ergun, F., Composition of the essential oils of Galium aparine L. and Galium odoratum (L.) Scop. from Turkey, J. Essent. Oil Res., 2004, 16, 4, 305-307, https://doi.org/10.1080/10412905.2004.9698728 . [all data]

Baser, Demirci, et al., 2002
Baser, K.H.C.; Demirci, B.; Kirimer, N.; Satil, F.; Tumen, G., The essential oils of Thymus migricus and T. fedtschenkoi var. handelii from Turkey, Flavour Fragr. J., 2002, 17, 1, 41-45, https://doi.org/10.1002/ffj.1036 . [all data]


Notes

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