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2-Heptanone

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Normal alkane RI, polar column, custom temperature program

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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 EC-1000CP-Wax 52 CBHP-InnowaxHP-InnowaxDB-FFAP
Column length (m)   60.30.30.
Carrier gas   HeliumHeliumHelium
Substrate      
Column diameter (mm)   0.250.250.25
Phase thickness (mum)   0.250.250.25
Program not specifiednot specified40 0C (2 min) 3 0C/min -> 150 0C 5 0C/min -> 220 0C (5 min)45 0C (1 min) 5 oC/min -> 170 0C 10 0C/min -> 260 0C (1 min)50 0C 2 0C/min -> 100 0C (5 min) 5 0C/min -> 250 0C
I 1195.1189.1189.1191.1178.
ReferenceDelabre and Bendall, 9999Povolo, Cabassi, et al., 2011Xiao, Dai, et al., 2011Cajka, Riddellova, et al., 2010Mebazaa, Mahmoudi, et al., 2009
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-FFAPSupelcowax 10Supelcowax 10Supelcowax-10Supelcowax-10
Column length (m) 30.50.50.30.30.
Carrier gas HeliumHeliumHeliumHeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (mum) 0.250.250.250.250.25
Program not specified45 0C (15 min) 3 0C/min -> 75 0C 5 0C/min -> 180 0C (10 min)45 0C (15 min) 3 0C/min -> 75 0C 5 0C/min -> 180 0C (10 min)35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min)35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min)
I 1177.1180.1180.1185.1188.
ReferenceMebazaa, Mahmoudi, et al., 2009Soria, Martinez-Castro, et al., 2008Soria, Martinez-Castro, et al., 2008Berard, Bianchi, et al., 2007Berard, Bianchi, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-FFAPHP-20MCarbowax 20MDB-WaxCarbowax 20M
Column length (m) 30.  30. 
Carrier gas    He 
Substrate      
Column diameter (mm) 0.32  0.25 
Phase thickness (mum) 0.25  0.25 
Program 35 0C (10 min) 10 0C/min -> 150 0C 20 0C/min -> 250 0C (10 min)not specifiednot specified50 0C (2 min) 6 0C/min -> 150 0C 8 0C/min -> 230 0C (15 min)not specified
I 1172.1172.1160.1170.1172.
ReferenceCarrapiso and Garsia, 2007Chaieb, Hajlaoui, et al., 2007Dury-Brun, Fournier, et al., 2007Tian, Zhang, et al., 2007Editorial paper, 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Carbowax 20MInnowax FSCInnowax FSCInnowaxCarbowax 20M
Column length (m)  60.60.  
Carrier gas  HeHe  
Substrate      
Column diameter (mm)  0.250.25  
Phase thickness (mum)  0.250.25  
Program not specified60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C60C(10min) => 4C/min => 220C(10min) => 1C/min => 240Cnot specifiednot specified
I 1173.1192.1192.1196.1172.
ReferenceEditorial paper, 2005Baser, Özek, et al., 2004Baser, Özek, et al., 2004Junkes, Amboni, et al., 2004Vinogradov, 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxDB-WaxCP-Wax 52CBFFAP
Column length (m)  60.30.50.30.
Carrier gas  HeHe  
Substrate      
Column diameter (mm)  0.320.250.320.32
Phase thickness (mum)  0.50.251.20.25
Program not specified35C(4min) => 2C/min => 130C => 4C/min => 250C25 0C (0.5 min) 50 K/min -> 50 0C 3.5 K/min -> 150 0C 7.5 K/min -> 240 0C40C(10min) => 3C/min => 190C => 10C/min => 250C(5min)not specified
I 1182.1160.1158.1192.1176.
ReferencePeterson and Reineccius, 2003Qian and Reineccius, 2003Miranda, Nogueira, et al., 2001Muresan, Eillebrecht, et al., 2000Lambert, Demazeau, et al., 1999
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Supelcowax 10Supelcowax 10Supelcowax 10CP-Wax 52CBDB-Wax
Column length (m) 60.60.60.50. 
Carrier gas HeliumHeliumHelium  
Substrate      
Column diameter (mm) 0.250.250.250.32 
Phase thickness (mum) 0.250.250.251.5 
Program 60 0C (10 min) 2 0C/min -> 80 0C 3 0C/min -> 100 0C 4 0C/min -> 220 0C (30 min)not specifiednot specified40C => 2C/min => 150C => 10C/min => 250Cnot specified
I 1174.1185.1185.1177.1180.
ReferenceCastioni and Kapetanidis, 1996Castioni and Kapetanidis, 1996Castioni and Kapetanidis, 1996Luning, de Rijk, et al., 1994Peng, Yang, et al., 1991
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type Capillary
Active phase DB-Wax
Column length (m)  
Carrier gas  
Substrate  
Column diameter (mm)  
Phase thickness (mum)  
Program not specified
I 1194.
ReferencePeng, Yang, et al., 1991
Comment MSDC-RI

References

Go To: Top, Normal alkane RI, 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.

Delabre and Bendall, 9999
Delabre, M.-L.; Bendall, J.F., Flavour ingredients from fermented dairy streams, Expression of Multidisciplinary Flavour Sci., 9999, 375-378. [all data]

Povolo, Cabassi, et al., 2011
Povolo, M.; Cabassi, G.; Profaizer, M.; Lanteri, S., Study on the use of evolved gas analysis FT-IR (EGA FT-IR) for the evaluation of cheese volatile fraction, The Open Food Sci. J., 2011, 5, 1, 10-16, https://doi.org/10.2174/1874256401105010010 . [all data]

Xiao, Dai, et al., 2011
Xiao, Z.; Dai, S.; Niu, Y.; Yu, H.; Zhu, J.; Tian, H.; Gu, Y., Discrimination of Chinese vinegars based on headspace solid-phase microextraction - gas chromatography mass spectrometry of volatile compounds and multivariate analysis, J. Food Sci., 2011, 76, 8, c1125-c1135, https://doi.org/10.1111/j.1750-3841.2011.02356.x . [all data]

Cajka, Riddellova, et al., 2010
Cajka, T.; Riddellova, K.; Klimankova, E.; Carna, M.; Pudil, F.; Hajslova, J., Traceability of olive oil based on volatiles pattern and multivariante analysis, Food Chem., 2010, 121, 1, 282-289, https://doi.org/10.1016/j.foodchem.2009.12.011 . [all data]

Mebazaa, Mahmoudi, et al., 2009
Mebazaa, R.; Mahmoudi, A.; Fouchet, M.; Dos Santos, M.; Kamissoko, F.; Nafti, A.; Ben Cheikh, R.; Rega, B.; Camel, V., Characterization of volatile compounds in Tunisian fenugreek seeds, Food Chem., 2009, 115, 4, 1326-1336, https://doi.org/10.1016/j.foodchem.2009.01.066 . [all data]

Soria, Martinez-Castro, et al., 2008
Soria, A.C.; Martinez-Castro, I.; Sanz, J., Some aspects of dynamic headspace analysis of volatile components in honey, Foog Res. International, 2008, 41, 8, 838-848, https://doi.org/10.1016/j.foodres.2008.07.010 . [all data]

Berard, Bianchi, et al., 2007
Berard, J.; Bianchi, F.; Careri, M.; Chatel, A.; Mangia, A.; Musci, M., Characterization of the volatile fraction and of free fatty acids of Fontina Valle d'Aosta, a protected designation of origin Italian cheese, Food Chem., 2007, 105, 1, 293-300, https://doi.org/10.1016/j.foodchem.2006.11.041 . [all data]

Carrapiso and Garsia, 2007
Carrapiso, A.I.; Garsia, C., Effect of sampling conditions on the odour-active compounds of iberian ham, Cienc. Technol. Aliment., 2007, 5, 4, 287-290, https://doi.org/10.1080/11358120709487703 . [all data]

Chaieb, Hajlaoui, et al., 2007
Chaieb, K.; Hajlaoui, H.; Zmantar, T.; Ben Kahla-Nakbi, A.; Rouabhia, M.; Mahdouani, K.; Bakhrouf, A., The chemical composition and biological activity of clove essential oil, Eugenia caryophyllata (Syzigium aromaticum L. Myrtaceae): a short review, Phytoterapy Res., 2007, 21, 6, 501-506, https://doi.org/10.1002/ptr.2124 . [all data]

Dury-Brun, Fournier, et al., 2007
Dury-Brun, C.; Fournier, N.; Pernin, K.; Guichard, E.; Voilley, A., A new approach to studying sponge cake aroma after storage in treated paper and plastic packaging by direct gas chromatography?olfactometry (D-GC-O), Flavour Fragr. J., 2007, 22, 4, 255-264, https://doi.org/10.1002/ffj.1788 . [all data]

Tian, Zhang, et al., 2007
Tian, Y.; Zhang, X.; Huang, T.; Zou, K.; Zhou, J., Research advances on the essential oils from leaves of Eucalyptus, Food Fermentation Ind. (Chinese), 2007, 33, 10, 143-147. [all data]

Editorial paper, 2005
Editorial paper, Solid Phase Microextraction (SPME) Application Guide, The Reporter Europe (Supelco), 2005, 16, 5, 12-12. [all data]

Baser, Özek, et al., 2004
Baser, K.H.C.; Özek, T.; Kirimer, N.; Deliorman, D.; Ergun, F., Composition of the essential oils of Galium aparine L. and Galium odoratum (L.) Scop. from Turkey, J. Essent. Oil Res., 2004, 16, 4, 305-307, https://doi.org/10.1080/10412905.2004.9698728 . [all data]

Junkes, Amboni, et al., 2004
Junkes, B.S.; Amboni, R.D.M.C.; Yunes, R.A.; Heinzen, V.E.F., Application of the semi-empirical topological index in quantitative structure-chromatographic retention relationship (QSRR) studies of aliphatic ketones and aldehydes on stationary phases of different polarity, J. Braz. Chem. Soc., 2004, 15, 2, 183-189, https://doi.org/10.1590/S0103-50532004000200005 . [all data]

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

Peterson and Reineccius, 2003
Peterson, D.G.; Reineccius, G.A., Determination of the aroma impact compounds in heated sweet cream butter, Flavour Fragr. J., 2003, 18, 4, 320-324, https://doi.org/10.1002/ffj.1228 . [all data]

Qian and Reineccius, 2003
Qian, M.; Reineccius, G., Potent aroma compounds in Parmigiano Reggiano cheese studied using a dynamic headspace (purge-trap) method, Flavour Fragr. J., 2003, 18, 3, 252-259, https://doi.org/10.1002/ffj.1194 . [all data]

Miranda, Nogueira, et al., 2001
Miranda, E.J.F.; Nogueira, R.I.; Pontes, S.M.; Rezende, C.M., Odour-active compounds of banana passa identified by aroma extract dilution analysis, Flavour Fragr. J., 2001, 16, 4, 281-285, https://doi.org/10.1002/ffj.997 . [all data]

Muresan, Eillebrecht, et al., 2000
Muresan, S.; Eillebrecht, M.A.J.L.; de Rijk, T.C.; de Jonge, H.G.; Leguijt, T.; Nijhuis, H.H., Aroma profile development of intermediate chocolate products. I. Volatile constituents of block-milk, Food Chem., 2000, 68, 2, 167-174, https://doi.org/10.1016/S0308-8146(99)00171-5 . [all data]

Lambert, Demazeau, et al., 1999
Lambert, Y.; Demazeau, G.; Largeteau, A.; Bouvier, J.-M., Changes in aromatic volatile composition of strawberry after high pressure treatment, Food Chem., 1999, 67, 1, 7-16, https://doi.org/10.1016/S0308-8146(99)00084-9 . [all data]

Castioni and Kapetanidis, 1996
Castioni, P.; Kapetanidis, I., Volatile constituents from Brunfelsia grandiflora ssp. grandiflora: qualitative analysis by GC-MS, Scientia Pharmaceutica, 1996, 64, 83-91. [all data]

Luning, de Rijk, et al., 1994
Luning, P.A.; de Rijk, T.; Wichers, H.J.; Roozen, J.P., Gas chromatography, mass spectrometry, and sniffing port analyses of volatile compounds of fresh bell peppers (Capsicum annuum) at different ripening stages, J. Agric. Food Chem., 1994, 42, 4, 977-983, https://doi.org/10.1021/jf00040a027 . [all data]

Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Ding, S.F., Prediction of rentention idexes. II. Structure-retention index relationship on polar columns, J. Chromatogr., 1991, 586, 1, 85-112, https://doi.org/10.1016/0021-9673(91)80028-F . [all data]


Notes

Go To: Top, Normal alkane RI, polar column, custom temperature program, References