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2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (E)-


Normal alkane RI, polar column, temperature ramp

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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

Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxTC-WaxDB-FFAPDB-WaxDB-Wax
Column length (m) 30.60.30.30.30.
Carrier gas HeliumHelium HeliumHe
Substrate      
Column diameter (mm) 0.250.250.320.250.25
Phase thickness (mum) 0.25 0.250.250.25
Tstart (C) 40.40.0.40.30.
Tend (C) 210.230.200.230.210.
Heat rate (K/min) 3.3.6.3.5.
Initial hold (min)  3.2.2. 
Final hold (min)    5. 
I 1823.1826.1823.1820.1842.
ReferenceKumazawa, Sakai, et al., 2010Miyazawa, Fujita, et al., 2010Laselan, Buettner, et al., 2009Zhao, Xu, et al., 2009Kumazawa, Itobe, et al., 2008
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-InnowaxCarbowaxDB-Wax EtrDB-WaxHP-Innowax
Column length (m) 50.60.60.15.30.
Carrier gas HeliumHeHeHeHe
Substrate      
Column diameter (mm) 0.200.20.250.320.25
Phase thickness (mum) 0.200.250.250.250.5
Tstart (C) 45.60.40.40.40.
Tend (C) 190.250.230.230.200.
Heat rate (K/min) 4.2.2.6.2.
Initial hold (min) 2.8.5. 3.
Final hold (min) 50.15.100.20.15.
I 1834.1823.1829.1789.1811.
ReferenceSoria, Sanz, et al., 2008Ferhat, Tigrine-Kordjani, et al., 2007Ibarz, Ferreira, et al., 2006Kishimoto, Wanikawa, et al., 2006Komes, Ulrich, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-20MDB-Wax EtrCarbowax-PEGInnowaxCarbowax 20M
Column length (m) 50.30.60.50.50.
Carrier gas HeHeHeliumHeHelium
Substrate      
Column diameter (mm) 0.20.250.200.20.25
Phase thickness (mum) 0.20.250.250.50.25
Tstart (C) 70.40.60.60.40.
Tend (C) 180.220.250.250.190.
Heat rate (K/min) 4.2.2.2.4.
Initial hold (min) 4.1.8. 2.
Final hold (min) 15.10.15.60.30.
I 1783.1845.1823.1797.1823.
ReferenceMastelic, Jerkovic, et al., 2006Perestrelo, Fernandes, et al., 2006Tigrine-Kordiani, Meklati, et al., 2006Bendimerad and Bendiab, 2005de la Fuente, Martinez-Castro, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxTC-WaxDB-WaxHP-InnowaxDB-Wax
Column length (m) 30.60.60.50.60.
Carrier gas H2HeHeHeHe
Substrate      
Column diameter (mm) 0.320.250.250.20.32
Phase thickness (mum) 0.50.50.250.20.25
Tstart (C) 40.40.40.45.40.
Tend (C) 200.230.220.190.230.
Heat rate (K/min) 4.3.3.4.6.
Initial hold (min) 5.8.5.2. 
Final hold (min)    50.20.
I 1836.1825.1834.1841.1789.
ReferenceCulleré, Escudero, et al., 2004Ishikawa, Ito, et al., 2004López, Ezpeleta, et al., 2004Soria, Gonzalez, et al., 2004Akiyama, Murakami, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxCarbowax 20MInnowaxDB-Wax
Column length (m) 30.30.50.60.30.
Carrier gas HeH2HeHeH2
Substrate      
Column diameter (mm) 0.250.320.250.250.32
Phase thickness (mum) 0.250.50.25 0.5
Tstart (C) 40.40.45.60.40.
Tend (C) 185.200.190.220.200.
Heat rate (K/min) 4.4.4.4.4.
Initial hold (min) 4.5.2.10.5.
Final hold (min) 20. 50.10. 
I 1813.1841.1841.1838.1842.
ReferenceLee and Noble, 2003López, Ortín, et al., 2003Soria, Martinez-Castro, et al., 2003Suleimenov, Atazharova, et al., 2003Ferreira, Ortín, et al., 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxDB-WaxDB-FFAPDB-Wax
Column length (m) 30.60.30.30.30.
Carrier gas HeHeHeHeH2
Substrate      
Column diameter (mm) 0.250.250.320.320.32
Phase thickness (mum) 0.250.250.50.250.5
Tstart (C) 40.40.40.40.40.
Tend (C) 210.210.240.230.200.
Heat rate (K/min) 5.5.7.6.4.
Initial hold (min)    2.5.
Final hold (min)   5.5.60.
I 1825.1829.1845.1807.1832.
ReferenceKumazawa and Masuda, 2002Kumazawa and Masuda, 2002Lin, Rouseff, et al., 2002Sanz, Czerny, et al., 2002Aznar, López, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxDB-WaxDB-FFAPSupelcowax-10
Column length (m) 30.30.30.30.60.
Carrier gas HeH2HeHeHe
Substrate      
Column diameter (mm) 0.530.320.530.320.25
Phase thickness (mum) 1.0.51.0.250.25
Tstart (C) 40.40.40.40.60.
Tend (C) 225.200.210.195.280.
Heat rate (K/min) 6.4.5.5.4.
Initial hold (min) 5.5. 5. 
Final hold (min) 30.60. 40. 
I 1821.1832.1824.1809.1811.
ReferenceCadwallader and Heo, 2001Ferreira, Aznar, et al., 2001Kumazawa and Masuda, 2001Suriyaphan, Drake, et al., 2001Korány, Mednyánszky, et al., 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxHP Innowax FSPInnowaxHP-InnowaxHP-Innowax
Column length (m) 30.60.60.60.60.
Carrier gas H2HeHeHeHe
Substrate      
Column diameter (mm) 0.320.250.250.250.25
Phase thickness (mum) 0.50.250.250.250.25
Tstart (C) 60.60.60.60.60.
Tend (C) 245.220.220.220.220.
Heat rate (K/min) 3.    
Initial hold (min) 3.10.10.10.10.
Final hold (min) 20.10.   
I 1820.1838.1838.1838.1838.
ReferenceKotseridis and Baumes, 2000Kaya, Baser, et al., 1999Kaya, Baser, et al., 1999, 2Kaya, Baser, et al., 1999, 3Kaya, Baser, et al., 1999, 3
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxCarbowax 20MDB-WaxHP-Innowax
Column length (m) 30.60.60.60.25.
Carrier gas   HeHe 
Substrate      
Column diameter (mm) 0.530.250.320.250.25
Phase thickness (mum) 1.0.250.50.25 
Tstart (C) 40.40.40.60.35.
Tend (C) 210.210.190.240.250.
Heat rate (K/min) 5.5.2.4.4.
Initial hold (min)   5.  
Final hold (min)      
I 1824.1823.1857.1827.1790.
ReferenceKumazawa and Masuda, 1999Kumazawa and Masuda, 1999Lopez, Ferreira, et al., 1999Ngassoum, Yonkeu, et al., 1999Ong and Acree, 1999
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Carbowax 20MHP-InnowaxHP-InnowaxCarbowax 20MCarbowax 20M
Column length (m) 60.25.25.15.60.
Carrier gas He    
Substrate      
Column diameter (mm) 0.320.320.320.320.25
Phase thickness (mum) 0.5    
Tstart (C) 40.35.35.50.60.
Tend (C) 190.250.250.225.180.
Heat rate (K/min) 2.4.4.6.2.
Initial hold (min) 5.  3.4.
Final hold (min)      
I 1857.1790.1790.1816.1792.
ReferenceFerreira, Lopez, et al., 1998Ong and Acree, 1998Ong, Acree, et al., 1998Roberts and Acree, 1996Kawakami, Ganguly, et al., 1995
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillary
Active phase Carbowax 20MDB-Wax
Column length (m) 50.60.
Carrier gas He 
Substrate   
Column diameter (mm) 0.250.32
Phase thickness (mum)   
Tstart (C) 60.50.
Tend (C) 180.230.
Heat rate (K/min) 2.4.
Initial hold (min) 4. 
Final hold (min)  10.
I 1792.1819.
ReferenceKawakami, Kobayashi, et al., 1993Binder, Turner, et al., 1990
Comment MSDC-RI MSDC-RI

References

Go To: Top, Normal alkane RI, polar column, temperature ramp, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Kumazawa, Sakai, et al., 2010
Kumazawa, K.; Sakai, N.; Amma, H.; Sakamoto, S.; Kodama, M.; Wada, Y.; Nishimura, O., Identification and formation of volatile components responsible for the characteristic aroma of Mat Rush (Igusa), Biosci. Biotechnol. Biochem., 2010, 74, 6, 1231-1236, https://doi.org/10.1271/bbb.100053 . [all data]

Miyazawa, Fujita, et al., 2010
Miyazawa, N.; Fujita, A.; Kubota, K., Aroma character impact compounds in Kinokuni Mandarin Orange (Citrus kinikuni) compared with Satsuma Mandarin Orange, Biosci. Biotechnol. Biochem., 2010, 74, 4, 835-842, https://doi.org/10.1271/bbb.90937 . [all data]

Laselan, Buettner, et al., 2009
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Zhao, Y.; Xu, Y.; Li, J.; Fan, W.; Jiang, W., Profile of volatile compounds in 11 brandies by headspace solid-phase microextraction followed by gas chromatography-mass spectrometry, J. Food. Sci., 2009, 74, 2, c90-c99, https://doi.org/10.1111/j.1750-3841.2008.01029.x . [all data]

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Bendimerad, N.; Bendiab, S.A.T., Composition and antibacterial activity of Pseudocytisus integrifolius (Salisb.) essential oil from Algeria, J. Agric. Food Chem., 2005, 53, 8, 2947-2952, https://doi.org/10.1021/jf047937u . [all data]

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Soria, A.C.; Gonzalez, M.; de Lorenzo, C.; Martinez-Castro, I.; Sanza, J., Characterization of artisanal honeys from Madrid (Central Spain) on the basis of their melissopalynological, physicochemical and volatile composition data, Food Chem., 2004, 85, 1, 121-130, https://doi.org/10.1016/j.foodchem.2003.06.012 . [all data]

Akiyama, Murakami, et al., 2003
Akiyama, M.; Murakami, K.; Ohtani, N.; Iwatsuki, K.; Sotoyama, K.; Wada, A.; Tokuno, K.; Iwabuchi, H.; Tanaka, K., Analysis of volatile compounds released during the grinding of roasted coffee beans using solid-phase microextraction, J. Agric. Food Chem., 2003, 51, 7, 1961-1969, https://doi.org/10.1021/jf020724p . [all data]

Lee and Noble, 2003
Lee, S.-J.; Noble, A.C., Characterization of odor-active compounds in Californian Chardonnay wines using GC-olfactometry and GC-mass spectrometry, J. Agric. Food Chem., 2003, 51, 27, 8036-8044, https://doi.org/10.1021/jf034747v . [all data]

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Soria, Martinez-Castro, et al., 2003
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Ferreira, Ortín, et al., 2002
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Kumazawa and Masuda, 2002
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Lin, Rouseff, et al., 2002
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Cadwallader and Heo, 2001
Cadwallader, K.R.; Heo, J., Aroma of roasted sesame oil: characterization by direct thermal desorption-gas chromatography-olfactometry and sample dilution analysis, Am. Chem. Soc. Symp. Ser., 2001, 782, 187-202. [all data]

Ferreira, Aznar, et al., 2001
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Kumazawa and Masuda, 2001
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Suriyaphan, Drake, et al., 2001
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Kotseridis and Baumes, 2000
Kotseridis, Y.; Baumes, R., Identification of impact odorants in Bordeaux red grape juice, in the commercial yeast used for its fermentation, and in the produced wine, J. Agric. Food Chem., 2000, 48, 2, 400-406, https://doi.org/10.1021/jf990565i . [all data]

Kaya, Baser, et al., 1999
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Kaya, Baser, et al., 1999, 2
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, 3
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]

Lopez, Ferreira, et al., 1999
Lopez, R.; Ferreira, V.; Hernandez, P.; Cacho, J.F., Identification of impact odorants of young red wines made with Merlot, Cabernet Sauvignon and Grenache grape varieties: a comparative study, J. Sci. Food Agric., 1999, 79, 11, 1461-1467, https://doi.org/10.1002/(SICI)1097-0010(199908)79:11<1461::AID-JSFA388>3.0.CO;2-K . [all data]

Ngassoum, Yonkeu, et al., 1999
Ngassoum, M.B.; Yonkeu, S.; Jirovetz, L.; Buchbauer, G.; Schmaus, G.; Hammerschmidt, F.-J.H., Chemical composition of essential oils of Lantana camara leaves and flowers from Cameroon and Madagascar, Flavour Fragr. J., 1999, 14, 4, 245-250, https://doi.org/10.1002/(SICI)1099-1026(199907/08)14:4<245::AID-FFJ819>3.0.CO;2-X . [all data]

Ong and Acree, 1999
Ong, P.K.C.; Acree, T.E., Similarities in the aroma chemistry of Gewürztraminer variety wines and lychee (Litchi chinesis Sonn.) fruit, J. Agric. Food Chem., 1999, 47, 2, 665-670, https://doi.org/10.1021/jf980452j . [all data]

Ferreira, Lopez, et al., 1998
Ferreira, V.; Lopez, R.; Escudero, A.; Cacho, J.F., The Aroma of Red Wine: Hierarchy Grenache and Nature of its Main Odorants, J. Sci. Food Agric., 1998, 77, 2, 259-267, https://doi.org/10.1002/(SICI)1097-0010(199806)77:2<259::AID-JSFA36>3.0.CO;2-Q . [all data]

Ong and Acree, 1998
Ong, P.K.C.; Acree, T.E., Gas chromatography/olfactory analysis of lychee (Litchi chinesis Sonn.), J. Agric. Food Chem., 1998, 46, 6, 2282-2286, https://doi.org/10.1021/jf9801318 . [all data]

Ong, Acree, et al., 1998
Ong, P.K.C.; Acree, T.E.; Lavin, E.H., Characterization of volatiles in rambutan fruit (Nephelium lappaceum L.), J. Agric. Food Chem., 1998, 46, 2, 611-615, https://doi.org/10.1021/jf970665t . [all data]

Roberts and Acree, 1996
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Kawakami, Ganguly, et al., 1995
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Notes

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