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2-Cyclohexen-1-one, 2-methyl-5-(1-methylethyl)-, (S)-


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.
Origin NIST Mass Spectrometry Data Center
NIST MS number 413217

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, temperature ramp

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Column type Active phase I Reference Comment
CapillarySPB-51256.Gauvin, Lecomte, et al., 200460. m/0.32 mm/1. «mu»m, He, 4. K/min, 200. C @ 30. min; Tstart: 60. C

Kovats' RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-Wax1716.Gauvin, Lecomte, et al., 200450. m/0.2 mm/0.4 «mu»m, He, 4. K/min, 230. C @ 30. min; Tstart: 60. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryRTX-11221.Paolini, Costa, et al., 200560. m/0.22 mm/0.25 «mu»m, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C
CapillarySE-541243.Alma, Nitz, et al., 200430. m/0.25 mm/0.25 «mu»m, He, 60. C @ 5. min, 2. K/min; Tend: 260. C
CapillaryCP Sil 5 CB1213.Pino, Marbot, et al., 200225. m/0.25 mm/0.25 «mu»m, N2, 60. C @ 6. min, 4. K/min; Tend: 280. C
CapillaryCP Sil 5 CB1213.Pino, Marbot, et al., 2002, 230. m/0.25 mm/0.25 «mu»m, H2, 60. C @ 10. min, 2. K/min, 280. C @ 40. min

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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5MS1250.2Andriamaharavo, 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

View large format table.

Column type Active phase I Reference Comment
CapillaryRTX-Wax1669.Paolini, Costa, et al., 200560. m/0.22 mm/0.25 «mu»m, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-51247.Ho, Wang, et al., 201030. m/0.25 mm/0.25 «mu»m, Helium, 2. K/min; Tstart: 50. C; Tend: 250. C
CapillarySPB-11218.Pinto, Salgueiro, et al., 200730. m/0.2 mm/0.2 «mu»m, He, 3. K/min, 220. C @ 15. min; Tstart: 70. C
Capillary5 % Phenyl methyl siloxane1218.Marongiu, Piras, et al., 200630. m/0.25 mm/0.25 «mu»m, Helium, 3. K/min, 280. C @ 30. min; Tstart: 60. C
CapillaryDB-51246.Pino, Marbot, et al., 200630. m/0.25 mm/0.25 «mu»m, Hydrogen, 70. C @ 4. min, 4. K/min; Tend: 280. C
CapillaryDB-11225.Velasco-Negueruela, Pérez-Alonso, et al., 200550. m/0.25 mm/0.25 «mu»m, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryDB-5MS1247.Maia, Taveira, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryHP-51230.Pitarokili, Tzakou, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 280. C
CapillarySPB-51249.Doneanu and Anitescu, 199850. m/0.32 mm/0.25 «mu»m, He, 3. K/min, 240. C @ 20. min; Tstart: 60. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5MS1244.Cole, Haber, et al., 200730. m/0.25 mm/0.25 «mu»m, He; Program: 40C(10min) => 3C/min => 200C => 2C/min => 220C
CapillarySE-521246.Lorenzo, Loayza, et al., 200625. m/0.32 mm/0.42 «mu»m, H2; Program: 60C(8min) => 3C/min => 180C => 20C/min => 250C (10min)
Capillary 1218.El-Shazily, Hafez, et al., 2004Program: not specified
CapillaryCP Sil 8 CB1246.Judpentienë and Mockutë, 2004He; Column length: 50. m; Column diameter: 0.32 mm; Program: 60C(2min) => 5C/min => 160C (1min) => 10C/min => 250C (2min)
CapillarySE-301236.Vinogradov, 2004Program: not specified
CapillaryCP Sil 8 CB1246.Mockute and Judzentiene, 200350. m/0.32 mm/0.25 «mu»m, He; Program: 70C(5min) => 3C/min => 100C (1min) => 25C/min => 250C (10min)

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-20M1686.Mastelic, Jerkovic, et al., 200650. m/0.2 mm/0.2 «mu»m, He, 70. C @ 4. min, 4. K/min, 180. C @ 15. min
CapillaryInnowax1697.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

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryCarbowax 20M1652.Lorenzo, Loayza, et al., 200625. m/0.32 mm/0.25 «mu»m, H2; Program: 40C(8min) => 3C/min => 180C => 20C/min => 230C (10min)
CapillaryInnowax FSC1697.Baser, Demirci, et al., 200360. m/0.25 mm/0.25 «mu»m, He; Program: 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C
CapillaryHP-Innowax1697.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
CapillaryInnowax FSC1697.Tunalier, Kirimer, et al., 200260. m/0.25 mm/0.25 «mu»m; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryHP-Innowax1697.Gören, Demirci, et al., 200160. 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.

Gauvin, Lecomte, et al., 2004
Gauvin, A.; Lecomte, H.; Smadja, J., Comparative investigations of the essential oils of two scented geranium (Pelargonium spp.) cultivars grown on Reunion Island, Flavour Fragr. J., 2004, 19, 5, 455-460, https://doi.org/10.1002/ffj.1354 . [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]

Alma, Nitz, et al., 2004
Alma, M.H.; Nitz, S.; Kollmannsberger, H.; Digrak, M.; Efe, F.T.; Yilmaz, N., Chemical composition and antimicrobial activity of the essential oils from the gum of Turkish Pistachio (Pistacia vera L.), J. Agric. Food Chem., 2004, 52, 12, 3911-3914, https://doi.org/10.1021/jf040014e . [all data]

Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Quert, R.; García, H., Study of essential oils of Eucalyptus resinifera Smith, E. tereticornis Smith and Corymbia maculata (Hook.) K.D. Hill L.A.S. Johnson, grown in Cuba, Flavour Fragr. J., 2002, 17, 1, 1-4, https://doi.org/10.1002/ffj.1026 . [all data]

Pino, Marbot, et al., 2002, 2
Pino, J.A.; Marbot, R.; Bello, A., Volatile compounds of Psidium salutare (H.B.K.) Berg. fruit, J. Agric. Food Chem., 2002, 50, 18, 5146-5148, https://doi.org/10.1021/jf0116303 . [all data]

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

Ho, Wang, et al., 2010
Ho, C.-L.; Wang, E.I.-C.; Yu, H.-T.; Yu, H.-M.; Su, Y.-C., Composition amd antioxidant activities of essential oils of different tissues from Cryptomeria japonica D. Don, Quarterly J. Chin. Forestry, 2010, 32, 1, 63-76. [all data]

Pinto, Salgueiro, et al., 2007
Pinto, E.; Salgueiro, L.R.; Cavaleiro, C.; Palmeira, A.; Goncalves, M.J., In vitro susceptibility of some species of yeasts and filamentous fungi to essential oils of Salvia of?cinalis, Ind. Crops Prod., 2007, 26, 2, 135-141, https://doi.org/10.1016/j.indcrop.2007.02.004 . [all data]

Marongiu, Piras, et al., 2006
Marongiu, B.; Piras, A.; Porcedda, S.; Tuveri, E.; Maxia, A., Isolation of Seseli bocconi Guss. volatile oil by supercritical carbon dioxide extraction, Natural Product Research, 2006, 20, 9, 820-826, https://doi.org/10.1080/14786410500364684 . [all data]

Pino, Marbot, et al., 2006
Pino, J.A.; Marbot, R.; Payo, A.; Chao, D.; Herrera, P., Aromatic Plants from Western Cuba VII. Composition of the Leaf Oil of Psidium wrightii KRug et Urb., Lantana involucrata L., Cinnamonum montanum (Sw.) Berchtold et J. Persl. and Caesalpinia violacea (Mill.) Standley, J. Essent. Oil. Res., 2006, 18, 2, 170-174, https://doi.org/10.1080/10412905.2006.9699058 . [all data]

Velasco-Negueruela, Pérez-Alonso, et al., 2005
Velasco-Negueruela, A.; Pérez-Alonso, M.J.; Palá-Paúl, J.; Iñigo, A.; López, G., The volatile oil composition of the berries of Juniperus macrocarpa Sibth. and Sm., gathered in Spain, J. Essent. Oil Res., 2005, 17, 1, 61-63, https://doi.org/10.1080/10412905.2005.9698831 . [all data]

Maia, Taveira, et al., 2003
Maia, J.G.S.; Taveira, F.S.N.; Andrade, E.H.A.; da Silva, M.H.L.; Zoghbi, M.G.B., Essential oils of Lippia grandis Schau., Flavour Fragr. J., 2003, 18, 5, 417-420, https://doi.org/10.1002/ffj.1241 . [all data]

Pitarokili, Tzakou, et al., 2003
Pitarokili, D.; Tzakou, O.; Loukis, A.; Harvala, C., Volatile metabolites from Salvia fruticosa as antifungal agents in soilborne pathogens, J. Agric. Food Chem., 2003, 51, 11, 3294-3301, https://doi.org/10.1021/jf0211534 . [all data]

Doneanu and Anitescu, 1998
Doneanu, C.; Anitescu, G., Supercritical carbon dioxide extraction of Angelica archangelica L. root oil, J. Supercrit. Fluids, 1998, 12, 1, 59-67, https://doi.org/10.1016/S0896-8446(97)00040-5 . [all data]

Cole, Haber, et al., 2007
Cole, R.A.; Haber, W.A.; Setzer, W.N., Chemical composition of essential oils of seven species of Eugenia from Monteverde, Costa Rica, Biochem. Syst. Ecol., 2007, 35, 12, 877-886, https://doi.org/10.1016/j.bse.2007.06.013 . [all data]

Lorenzo, Loayza, et al., 2006
Lorenzo, D.; Loayza, I.; Dellacassa, E., Composition and chiral characterization of the essential oil of Buddleja tucumanensis from Bolivia, Flavour Fragr. J., 2006, 21, 1, 95-98, https://doi.org/10.1002/ffj.1526 . [all data]

El-Shazily, Hafez, et al., 2004
El-Shazily, A.M.; Hafez, S.S.; Wink, M., Comparative study of the essential oils and extracts of Achillea fragrantissima (Forssk.) Sch. Bip. and Achillea santolina L. (Asteraceae) from Egypt, Pharmazie, 2004, 59, 226-230. [all data]

Judpentienë and Mockutë, 2004
Judpentienë, A.; Mockutë, D., Chemical composition of essential oils produced by pink flower inflorescences of wild Achillea millefolium L., Chemija, 2004, 15, 28-32. [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Mockute and Judzentiene, 2003
Mockute, D.; Judzentiene, A., The myrtenol chemotype of essential oil of Tanacetum vulgare L. var. vulgare (tansy) growing wild in the Vilnius region, Chemija, 2003, 14, 2, 103-107. [all data]

Mastelic, Jerkovic, et al., 2006
Mastelic, J.; Jerkovic, I.; Mesic, M., Volatile constituents from flowers, leaves, bark and wood of Prunus mahaleb L., Flavour Fragr. J., 2006, 21, 2, 306-313, https://doi.org/10.1002/ffj.1596 . [all data]

Suleimenov, Atazharova, et al., 2003
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]

Baser, Demirci, et al., 2003
Baser, K.H.C.; Demirci, B.; Dekebo, A.; Dagne, E., Essential oils of some Boswellia spp., myrrh and opopanax, Flavour Fragr. J., 2003, 18, 2, 153-156, https://doi.org/10.1002/ffj.1166 . [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]

Tunalier, Kirimer, et al., 2002
Tunalier, Z.; Kirimer, N.; Baser, K.H.C., The composition of essential oils from various parts of Juniperus foetidissima, Chem. Nat. Compd. (Engl. Transl.), 2002, 38, 1, 43-47, https://doi.org/10.1023/A:1015725630556 . [all data]

Gören, Demirci, et al., 2001
Gören, N.; Demirci, B.; Baser, K.H.C., Composition of the essential oils of Tanacetum spp. from Turkey, Flavour Fragr. J., 2001, 16, 3, 191-194, https://doi.org/10.1002/ffj.976 . [all data]


Notes

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