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


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

Go To: Top, 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

Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SLB-5 MSSLB-5 MSSLB-5 MSSLB-5 MSPolydimethyl siloxane with 5 % Ph groups
Column length (m) 30.30.30.30. 
Carrier gas HeliumHeliumHeliumHelium 
Substrate      
Column diameter (mm) 0.250.250.250.25 
Phase thickness (mum) 0.250.250.250.25 
Program not specifiednot specifiednot specifiednot specifiednot specified
I 1413.1417.1383.1387.1387.
ReferenceMondello, 2012Mondello, 2012Mondello, 2012Mondello, 2012Robinson, Adams, et al., 2012
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Polydimethyl siloxane with 5 % Ph groupsHP-5 MSCP Sil-5 CBDB-5CP-Sil 5 CB
Column length (m)  30.50.30.50.
Carrier gas  HeliumNitrogenHydrogenNitrogen
Substrate      
Column diameter (mm)  0.250.320.320.32
Phase thickness (mum)  0.251.200.501.20
Program not specified60 0C (1 min) 10 0C -> 180 0C (1 min) 20 0C/min -> 280 0C (15 min)36 0C 20 0C/min -> 85 0C 1 0C/min -> 145 0C 3 0C/min -> 250 0C40 0C (5 min) 4 0C/min -> 100 0C 6 0C/min -> 220 0C (20 min)36 0C 20 0C/min -> 85 0C 1 0C -> 145 0C 3 0C/min -> 250 0C
I 1389.1382.1368.1392.1368.
ReferenceRobinson, Adams, et al., 2012Chu, Liu, et al., 2011Bailly and Collin, 2010San-Juan, Petka, et al., 2010Bailly, Jerkovic, et al., 2009
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP-Sil 5 CbSLB-5MSRTX-5RTX-5HP-5
Column length (m) 50.10.30.30.30.
Carrier gas NitrogenHeliumHeliumHelium 
Substrate      
Column diameter (mm) 0.320.180.250.250.25
Phase thickness (mum) 1.200.180.250.250.25
Program 40 0C 20 0C/min -> 85 0C 1 0C/min -> 145 0C 3 0C/min -> 250 0C (30 min)not specified60 0C (5 min) 5 0C/min -> 110 0C 3 0C/min -> 220 0C (5 min)not specified40 0C (2 min) 5 0C/min -> 80 0C 7 oC/min -> 160 0C 9 0C/min -> 200 0C 20 0C/min -> 280 0C (10 min)
I 1358.1379.1389.1385.1387.
ReferenceCollin, Nizet, et al., 2008Risticevic, Carasek, et al., 2008Zachariah, Leela, et al., 2008Zachariah, Leela, et al., 2008Zhao, Li, et al., 2008
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5DB-5SPB-1SPB-1DB-5
Column length (m) 30.30.50.50.30.
Carrier gas     He
Substrate      
Column diameter (mm) 0.250.320.250.250.25
Phase thickness (mum) 0.250.250.250.250.25
Program not specified40C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C(10min)70C(3min) => 4C/min => 120C => 8C/min => 250C(5min)70C(3min) => 4C/min => 120C => 8C/min => 250C(5min)40C(1min) => 7C/min => 110C => 5C/min => 180C => 10C/min => 240C(10min)
I 1381.1389.1367.1367.1380.
ReferenceZhao, Li, et al., 2008Buettner, 2007Díaz-Maroto, Castillo, et al., 2007Díaz-Maroto, Castillo, et al., 2007Greger and Schieberle, 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-54HP-5DB-5HP-5 MSCP-Sil 5 CB
Column length (m) 30. 30.30.50.
Carrier gas   HeHeliumHelium
Substrate      
Column diameter (mm) 0.32 0.250.250.32
Phase thickness (mum) 0.25 0.250.251.20
Program 35C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 10C/min => 230C(10min)not specifiednot specifiednot specified36 0C 20 0C/min -> 85 0C 1 0C/min -> 1345 0C 3 0C/min -> 250 0C
I 1389.1387.1380.1357.1368.
ReferenceLasekan, Buettner, et al., 2007Liolios, Laouer, et al., 2007Machado, Bastos, et al., 2007Sharififar, Mozaffarian, et al., 2007Bailly, Jerkovic, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP Sil 5 CBCP-Sil5 CB MSHP-5HP-5HP-5MS
Column length (m) 50.50.30.30.30.
Carrier gas HeN2  He
Substrate      
Column diameter (mm) 0.320.320.250.250.25
Phase thickness (mum) 1.21.20.250.250.25
Program 36C => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C36C => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C(30min)>2.5C/min => 180C => 100C/min => 250C (7.3min)>2.5C/min => 180C => 100C/min => 250C (7.3min)40C(5min) => 2C/min => 250C (15min) => 10C/min => 270C
I 1368.1369.1395.1395.1382.
ReferenceBailly, Jerkovic, et al., 2006, 2Callemien, Dasnoy, et al., 2006Goodner, Mahattanatawee, et al., 2006Goodner, Mahattanatawee, et al., 2006Senatore, Apostolides Arnold, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP-Sil 5 CBCP-Sil 5 CBPolydimethyl siloxane with 5 % Ph groupsHP-5DB-5
Column length (m) 50.50.  30.
Carrier gas NitrogenNitrogen  Helium
Substrate      
Column diameter (mm) 0.320.32  0.32
Phase thickness (mum) 1.21.20  0.25
Program 36 0C 20 0C/min -> 85 0C 1 iC/min -> 145 0C 3 0C/min -> 250 0C36 0C 20 0C/min -> 85 0C 1 0C/min -> 145 0C 3 0C/min -> 250 0Cnot specifiednot specified40 0C (2 min) 40 0C/min -> 60 0C (2 min) 6 0C/min -> 180 0C 10 0C/min -> 240 0C (5 min)
I 1369.1369.1380.1386.1394.
ReferenceCallamien, Dasnoy, et al., 2005Callemien, Dasnoy, et al., 2005Pino, Marbot, et al., 2005Riu-Aumatell, Lopez-Tamames, et al., 2005Tokitomo, Steihaus, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-54SE-54SE-54MFE-73SE-30
Column length (m) 30.30.30.  
Carrier gas HeHeHe  
Substrate      
Column diameter (mm) 0.320.320.32  
Phase thickness (mum) 0.250.250.25  
Program 40C (2min) => 40C/min => 50C(2min) => 6C/min => 180C => 15C/min => 230C(10min)40C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 15C/min => 230C (10min)40C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 15C/min => 230C (10min)not specifiednot specified
I 1389.1389.1389.1392.1361.
ReferenceBuettner and Welle, 2004Buettner, 2004Buettner, 2004Escudero, Gogorza, et al., 2004Vinogradov, 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-30HP-5MSDB-1MFE-73CP-Sil 5 CB
Column length (m)  30.30. 50.
Carrier gas  HeHeH2Helium
Substrate      
Column diameter (mm)  0.250.25 0.32
Phase thickness (mum)  0.250.25 1.20
Program not specified40C(5min) => 2C/min => 120C => 10C/min => 210C (30min)60C => 4C/min => 200C (5min) => 10C/min => 280C (20min)not specified36 0C 20 0C/min -> 85 0C 1 0C/min -> 145 0C 3 0C/min -> 250 0C (30 min)
I 1360.1380.1363.1392.1372.
ReferenceVinogradov, 2004Martí, Mestres, et al., 2003Variyar, Ahmad, et al., 2003Ferreira, Ortín, et al., 2002Gijs, Chevanese, et al., 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP Sil 8 CBDB-5MFE-73CP Sil 8 CBMFE-73
Column length (m) 60. 30.60.30.
Carrier gas He H2 H2
Substrate      
Column diameter (mm) 0.32 0.320.250.32
Phase thickness (mum) 0.25 0.10.250.1
Program 40C(2min) => 40C/min => 60C(2min) => 6C/min => 250C(15min)not specified40C(5min) => 2C/min => 120C => 10C/min => 210C(30min)not specified40 C (5min) => 2C/min => 120C => 10 C/min => 210 C (30min)
I 1400.1386.1392.1385.1392.
ReferenceLandy, Boucon, et al., 2002Staples E.S., 2002Aznar, López, et al., 2001Duckham, Dodson, et al., 2001Ferreira, Aznar, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP Sil 5 CBCP Sil 5 CBDB-5SF-96OV-101
Column length (m) 50.50.30.40. 
Carrier gas   He  
Substrate      
Column diameter (mm) 0.320.320.250.28 
Phase thickness (mum) 1.21.20.25  
Program 36C => 20C/min => 120C(20min) => 2C/min => 250C(30min)36C => 20C/min => 120C(20min) => 2C/min => 250C(30min)40C => 2C/min => 60C => 4C/min => 260C75C => 3C/min => 190C(25min) => 3C/min => 210Cnot specified
I 1372.1372.1381.1369.1357.
ReferenceLermusieau, Bulens, et al., 2001Lermusieau, Bulens, et al., 2001Andrade, Maia, et al., 2000Kawasaki, Matsui, et al., 1998Licker, Acree, et al., 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5SE-54DB-5SE-54DB-5
Column length (m) 30.30.30.30.30.
Carrier gas He   He
Substrate      
Column diameter (mm) 0.320.320.320.320.32
Phase thickness (mum) 0.250.250.250.25 
Program 35C(1min) => 40C/min => 60C (1min) => 6C/min => 230C35 0C (2 min) 40 0C/min -> 50 0C (1 min) 6 0C/min -> 230 0C35C (1min) => 40C/min => 60C (1min) => 6C/min => 250C (10min)35C (1min) => 40C/min => 60C (1min) => 6C/min => 250C (10min)35C => 40C/min => 50C(2min) => 4C/min => 240C
I 1385.1388.1395.1395.1386.
ReferenceMatsui, Guth, et al., 1998Reiners and Grosch, 1998Guth, 1997Guth, 1997Schieberle and Grosch, 1994
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillary
Active phase SE-54SE-54
Column length (m) 30.30.
Carrier gas HeHe
Substrate   
Column diameter (mm) 0.320.32
Phase thickness (mum) 0.30.3
Program 35C(2min) => 40C/min => 50C(2min) => 6C/min => 230C(10min)35C(2min) => 40C/min => 50C(2min) => 6C/min => 230C(10min)
I 1395.1395.
ReferenceBlank, Fischer, et al., 1989Blank, Fischer, et al., 1989
Comment MSDC-RI MSDC-RI

References

Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes

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

Mondello, 2012
Mondello, L., HS-SPME-GCxGC-MS analysis of Yerba Mate (Ilex paraguariensis) in Shimadzu GC-GC application compendium of comprehensive 2D GC, Vol. 1-5, Shimadzu Corp., 2012, 1-29. [all data]

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Chu, S.S.; Liu, S.L.; Liu, Q.Z.; Liu, Z.L.; Du, S.S., Composition and toxicity of Chinese Dracocephalum moldavica (Labiatae) essential oil against two grain storage insects, J. Med. Plants Res., 2011, 5, 21, 5262-5267. [all data]

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Bailly, S.; Collin, S., Fate of polyunsaturated thiols in sauternes wines through ageing in Expression of Multidisciplinary Flavour Sci., Blank, I.; Wust, M.; Yertzian, C., ed(s)., Zhaw Ed., 2010, 227-230, retrieved from https://home.zhaw.ch/tildayere/pdf/Teil58-Expression of Multidisciplinary.pdf. [all data]

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Variyar, Ahmad, et al., 2003
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Ferreira, Ortín, et al., 2002
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Gijs, Chevanese, et al., 2002
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Landy, Boucon, et al., 2002
Landy, P.; Boucon, C.; Kooyman, G.M.; Musters, P.A.D.; Rosin, E.A.E.; de Joode, T.; Laan, J.; Haring, P.G.M., Sensory and chemical changes in tomato sauces during storage, J. Agric. Food Chem., 2002, 50, 11, 3262-3271, https://doi.org/10.1021/jf011249i . [all data]

Staples E.S., 2002
Staples E.S., The Chemistry of Black Tea Aroma, EST Internal Report, April, Electronic Sensor Technology, Newbury PAck, CA 91320, 2002, 16, retrieved from http://www.estcal.com/TechPapers/TeaSamples2.pdf. [all data]

Aznar, López, et al., 2001
Aznar, M.; López, R.; Cacho, J.F.; Ferreira, V., Identification and quantification of impact odorants of aged red wines from Rioja. GC-olfactometry, quantitative GC-MS, and odor evaluation of HPLC fractions, J. Agric. Food Chem., 2001, 49, 6, 2924-2929, https://doi.org/10.1021/jf001372u . [all data]

Duckham, Dodson, et al., 2001
Duckham, S.C.; Dodson, A.T.; Bakker, J.; Ames, J.M., Volatile flavour components of baked potato flesh. A comparison of eleven potato cultivars, Nahrung/Food, 2001, 45, 5, 317-323, https://doi.org/10.1002/1521-3803(20011001)45:5<317::AID-FOOD317>3.0.CO;2-4 . [all data]

Ferreira, Aznar, et al., 2001
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Notes

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