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 (μm) 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 (μm) 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 (μm) 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 (μm) 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 (μm) 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 (μm) 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 (μm) 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 (μm) 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 (μm) 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 (μm) 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 (μm)   
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.

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Kaya, Baser, et al., 1999, 2
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Kaya, Baser, et al., 1999, 3
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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
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Ngassoum, Yonkeu, et al., 1999
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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
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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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