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2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-


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

Spectrum

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Mass spectrum
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Additional Data

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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 Japan AIST/NIMC Database- Spectrum MS-IW-6332
NIST MS number 233268

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
CapillarySPB-1132.1395.Misharina, Samusenko, et al., 200237. m/0.32 mm/0.25 «mu»m, He
CapillarySPB-1143.1400.Misharina, Samusenko, et al., 200237. m/0.32 mm/0.25 «mu»m, He
CapillarySPB-1152.1406.Misharina, Samusenko, et al., 200237. m/0.32 mm/0.25 «mu»m, He
CapillarySPB-1162.1408.Misharina, Samusenko, et al., 200237. m/0.32 mm/0.25 «mu»m, He

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Petro1391.6Pang T., Zhu S., et al., 200750. m/0.2 mm/0.5 «mu»m, 2. K/min; Tstart: 50. C; Tend: 270. C
CapillaryDB-Petro1393.Pang T., Zhu S., et al., 200750. m/0.2 mm/0.5 «mu»m, 2. K/min; Tstart: 50. C; Tend: 270. C
CapillaryHP-51409.Mahattanatawee, Goodner, et al., 200530. m/0.25 mm/0.25 «mu»m, He, 50. C @ 5. min, 4. K/min, 250. C @ 15. min
CapillaryZB-51403.Gocmen, Gurbuz, et al., 20040. m/0.32 mm/0.5 «mu»m, 7. K/min, 265. C @ 5. min; Tstart: 40. C
CapillaryHP-51383.Skaltsa, Demetzos, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 60. C @ 5. min, 4. K/min; Tend: 280. C
CapillarySPB-11401.Misharina, Samusenko, et al., 200237. m/0.32 mm/0.25 «mu»m, He, 8. K/min; Tstart: 100. C; Tend: 250. C
CapillaryDB-11366.6Chang, Sheng, et al., 19892. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 300. C
CapillaryDB-11366.8Chang, Sheng, et al., 19892. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 300. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryZB-Wax1797.Ledauphin, Basset, et al., 200630. m/0.25 mm/0.15 «mu»m, He, 35. C @ 5. min, 5. K/min, 220. C @ 10. min
CapillaryDB-Wax1782.Gocmen, Gurbuz, et al., 20040. m/0.32 mm/0.5 «mu»m, 7. K/min, 240. C @ 5. min; Tstart: 40. C

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5 MS1394.Feizbakhsh and Naeemy, 201130. m/0.25 mm/0.25 «mu»m, Helium, 60. C @ 20. min, 4. K/min, 220. C @ 20. min
CapillaryHP-5 MS1412.Miyazawa, Marumoto, et al., 201130. m/0.25 mm/0.25 «mu»m, Helium, 4. K/min, 260. C @ 5. min; Tstart: 40. C
CapillaryHP-5 MS1420.Radulovic, Blagojevic, et al., 201030. m/0.25 mm/0.25 «mu»m, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C
CapillaryHP-5 MS1411.Radulovic, Dordevic, et al., 201030. m/0.25 mm/0.25 «mu»m, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C
CapillaryDB-51415.Ozel, Gogus, et al., 200630. m/0.32 mm/0.25 «mu»m, He, 60. C @ 0.5 min, 5. K/min, 280. C @ 2. min
CapillaryHP-51419.3Leffingwell and Alford, 200560. m/0.32 mm/0.25 «mu»m, He, 30. C @ 2. min, 2. K/min, 260. C @ 28. min
CapillaryHP-11392.Valette, Fernandez, et al., 200350. m/0.2 mm/0.5 «mu»m, He, 2. K/min, 220. C @ 40. min; Tstart: 60. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryTR-5 MS1456.Kurashov, Mitrukova, et al., 201415. m/0.25 mm/0.25 «mu»m, Helium; Program: 35 0C (3 min) 2 0C/min -> 60 0C (3 min) 2 0C/min -> 80 0C (3 min) 4 0C/min -> 120 0C (3 min) 5 0C/min -> 150 0C (3 min) 15 0C/min -> 240 0C (10 min)
CapillaryPolydimethyl siloxane with 5 % Ph groups1419.Robinson, Adams, et al., 2012Program: not specified
CapillaryPolydimethyl siloxane with 5 % Ph groups1422.Robinson, Adams, et al., 2012Program: not specified
CapillarySiloxane, 5 % Ph1431.VOC BinBase, 2012Program: not specified
CapillaryPolydimethyl siloxane, 5 % phenyl1431.Skogerson, Wohlgemuth, et al., 2011Program: not specified
CapillarySF-961400.Kawasaki, Matsui, et al., 1998Column length: 40. m; Column diameter: 0.28 mm; Program: 75C => 3C/min => 190C(25min) => 3C/min => 210C

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryStabilwax1836.Jirovetz, Buchbauer, et al., 200530. m/0.32 mm/0.5 «mu»m, 40. C @ 5. min, 6. K/min, 280. C @ 5. min
CapillaryInnowax1830.Kaya, Baser, et al., 199960. m/0.25 mm/0.25 «mu»m, He, 60. C @ 10. min; Tend: 220. C
CapillaryHP-Innowax1830.Kaya, Baser, et al., 1999, 260. m/0.25 mm/0.25 «mu»m, He, 60. C @ 10. min; Tend: 220. C
CapillaryDB-Wax1824.Kumazawa and Masuda, 199930. m/0.53 mm/1. «mu»m, 5. K/min; Tstart: 40. C; Tend: 210. C
CapillaryDB-Wax1822.Kumazawa and Masuda, 199960. m/0.25 mm/0.25 «mu»m, 5. K/min; Tstart: 40. C; Tend: 210. C
CapillaryHP-Innowax FSC1830.Tümen, Baser, et al., 199860. m/0.25 mm/0.25 «mu»m, He, 60. C @ 10. min, 4. K/min, 220. C @ 10. min
CapillaryCarbowax 20M1815.Kanasawud and Crouzet, 199050. C @ 10. min, 4. K/min; Column length: 40. m; Column diameter: 0.4 mm; Tend: 170. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-Innowax FSC1830.Kivcak B., Mert T., et al., 200160. m/0.25 mm/0.25 «mu»m, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryInnowax FSC1830.Tabanca N., Demirci F., et al., 200160. m/0.25 mm/0.25 «mu»m, He; 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.

Misharina, Samusenko, et al., 2002
Misharina, T.A.; Samusenko, A.L.; Belyaeva, N.V., Gas chromatographic and IR spectroscopic characteristics of tri- and tetramethylcyclohexenyl butenyl ketones, Russ. Chem. Bull. (Engl. Transl.), 2002, 51, 9, 1684-1688, https://doi.org/10.1023/A:1021347404479 . [all data]

Pang T., Zhu S., et al., 2007
Pang T.; Zhu S.; Lu X.; Xu G., Identification of unknown compounds on the basis of retention index data in comprehensive two-dimensional gas chromatography, J. Sep. Sci., 2007, 30, 6, 868-874, https://doi.org/10.1002/jssc.200600471 . [all data]

Mahattanatawee, Goodner, et al., 2005
Mahattanatawee, K.; Goodner, K.L.; Baldwin, E.A., Volatile constituents and character impact compounds of selected Florida's tropical fruit, Proc. Fla. State Hort. Soc., 2005, 118, 414-418. [all data]

Gocmen, Gurbuz, et al., 2004
Gocmen, D.; Gurbuz, O.; Rouseff, R.L.; Smoot, J.M.; Dagdelen, A.F., Gas chromatographic-olfactometric characterization of aroma active compounds in sun-dried and vacuum-dried tarhana, Eur. Food Res. Technol., 2004, 218, 6, 573-578, https://doi.org/10.1007/s00217-004-0913-6 . [all data]

Skaltsa, Demetzos, et al., 2003
Skaltsa, H.D.; Demetzos, C.; Lazari, D.; Sokovic, M., Essential oil analysis and antimicrobial activity of eight Stachys species from Greece, Phytochemistry, 2003, 64, 3, 743-752, https://doi.org/10.1016/S0031-9422(03)00386-8 . [all data]

Chang, Sheng, et al., 1989
Chang, L.P.; Sheng, L.S.; Yang, M.Z.; An, D.K., Retention index of essential oil in temperature-programmed capillary column gas chromatography, Acta Pharm. Sin., 1989, 24, 11, 847-852. [all data]

Ledauphin, Basset, et al., 2006
Ledauphin, J.; Basset, B.; Cohen, S.; Payot, T.; Barillier, D., Identification of trace volatile compounds in freshly distilled Calvados and Cognac: Carbonyl and sulphur compounds, J. Food Comp. Anal., 2006, 19, 1, 28-40, https://doi.org/10.1016/j.jfca.2005.03.001 . [all data]

Feizbakhsh and Naeemy, 2011
Feizbakhsh, A.; Naeemy, A., Volatile constituents of essential oils of Eleocharis pauciflora (Light) Link and Eleocharis uniglumis (Link) J.A. Schultes growing wild in Iran, Bull. Chem. Soc. Ethiop., 2011, 25, 3, 461-464, https://doi.org/10.4314/bcse.v25i3.68606 . [all data]

Miyazawa, Marumoto, et al., 2011
Miyazawa, M.; Marumoto, S.; Kobayashi, T.; Yoshida, S.; Utsumi, Y., Determination of characteristic components in essential oils from Wisteria braphybotrys using gas chromatography - olfactometry incremental dilution technique, Rec. Nat. Prod., 2011, 5, 3, 221-227. [all data]

Radulovic, Blagojevic, et al., 2010
Radulovic, N.; Blagojevic, P.; Palic, R., Comparative study of the leaf volatiles of Arctostaphylos uva-ursi (L.) Spreng. and Vaccinium vitis-idaea L. (Ericaceae), Molecules, 2010, 15, 9, 6168-6185, https://doi.org/10.3390/molecules15096168 . [all data]

Radulovic, Dordevic, et al., 2010
Radulovic, N.; Dordevic, N.; Markovic, M.; Palic, R., Volatile constituents of Glechoma Hirsuta Waldst. Kit. and G. Hederacea L. (Lamiaceae), Bull. Chem. Soc. Ethiop., 2010, 24, 1, 67-76, https://doi.org/10.4314/bcse.v24i1.52962 . [all data]

Ozel, Gogus, et al., 2006
Ozel, M.Z.; Gogus, F.; Lewis, A.C., Comparison of direct thermal desorption with water distillation and superheated water extraction for the analysis of volatile components of Rosa damascena Mill. using GCxGC-TOF/MS, Anal. Chim. Acta., 2006, 566, 2, 172-177, https://doi.org/10.1016/j.aca.2006.03.014 . [all data]

Leffingwell and Alford, 2005
Leffingwell, J.C.; Alford, E.D., Volatile constituents of Perique tobacco, Electron. J. Environ. Agric. Food Chem., 2005, 4, 2, 899-915. [all data]

Valette, Fernandez, et al., 2003
Valette, L.; Fernandez, X.; Poulain, S.; Loiseau, A.-M.; Lizzani-Cuvelier, L.; Levieil, R.; Restier, L., Volatile constituents from Romanesco cauliflower, Food Chem., 2003, 80, 3, 353-358, https://doi.org/10.1016/S0308-8146(02)00272-8 . [all data]

Kurashov, Mitrukova, et al., 2014
Kurashov, E.A.; Mitrukova, G.G.; Krylova, Yu.V., Variations in the component composition of essential oil of Ceratophyllum demersum (Ceratophyllaceae) during vegetation (in press), Plant Resources (Rastitel'nye Resursy), 2014, 1, 000-000. [all data]

Robinson, Adams, et al., 2012
Robinson, A.L.; Adams, D.O.; Boss, P.K.; Heymann, H.; Solomon, P.S.; Trengove, R.D., Influence of geographic origine on the sensory characteristics and wine composition of Vitus viniferas cv. Cabernet Sauvignon wines from Australia (Supplemental data), Am. J. Enol. Vitic., 2012, 64, 4, 467-476, https://doi.org/10.5344/ajev.2012.12023 . [all data]

VOC BinBase, 2012
VOC BinBase, The volatile compound BinBase (VOC BinBase), 2012, retrieved from http://fiehnlab.ucdavis.edu/projects/VocBinBase and http://binbase.sourceforge.net. [all data]

Skogerson, Wohlgemuth, et al., 2011
Skogerson, K.; Wohlgemuth, G.; Fiehn, O., VocBinNase, 2011, retrieved from http://fiehnlab.ucdavis.edu/projects//VocBinBase. [all data]

Kawasaki, Matsui, et al., 1998
Kawasaki, W.; Matsui, K.; Akakabe, Y.; Itai, N.; Kajiwara, T., Long-chain aldehyde-forming activity in tobacco leaves, Phytochemistry, 1998, 49, 6, 1565-1568, https://doi.org/10.1016/S0031-9422(98)00236-2 . [all data]

Jirovetz, Buchbauer, et al., 2005
Jirovetz, L.; Buchbauer, G.; Stoyanova, A.; Balinova, A.; Guangjiun, Z.; Xihan, M., Solid phase microextraction/gas chromatographic and olfactory analysis of the scent and fixative properties of the essential oil of Rosa damascena L. from China, Flavour Fragr. J., 2005, 20, 1, 7-12, https://doi.org/10.1002/ffj.1375 . [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
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]

Kumazawa and Masuda, 1999
Kumazawa, K.; Masuda, H., Identification of potent odorants in Japanese green tea (Sen-cha), J. Agric. Food Chem., 1999, 47, 12, 5169-5172, https://doi.org/10.1021/jf9906782 . [all data]

Tümen, Baser, et al., 1998
Tümen, G.; Baser, K.H.C.; Demirci, B.; Ermin, N., The essential oils of Satureja coerulea Janka and Thymus aznavourii Velen., Flavour Fragr. J., 1998, 13, 1, 65-67, https://doi.org/10.1002/(SICI)1099-1026(199801/02)13:1<65::AID-FFJ695>3.0.CO;2-Q . [all data]

Kanasawud and Crouzet, 1990
Kanasawud, P.; Crouzet, J.C., Mechanism of formation of volatile compounds by thermal degradation of carotenoids in aqueous medium. 1. «beta»-Carotene degradation, J. Agric. Food Chem., 1990, 38, 1, 237-243, https://doi.org/10.1021/jf00091a052 . [all data]

Kivcak B., Mert T., et al., 2001
Kivcak B.; Mert T.; Demirci B.; Baser K.H.C., Composition of the essential oil of Arbutus unedo, Chem. Nat. Compd. (Engl. Transl.), 2001, 37, 5, 445-446, https://doi.org/10.1023/A:1014419309885 . [all data]

Tabanca N., Demirci F., et al., 2001
Tabanca N.; Demirci F.; Ozek T.; Tumen G.; Baser K.H.C., Composition and antimicrobial activity of the essential oil of Origanum x dolichosiphon P. H. Davis, Chem. Nat. Compd. (Engl. Transl.), 2001, 37, 3, 238-241, https://doi.org/10.1023/A:1012513922871 . [all data]


Notes

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