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Heptanal

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Van Den Dool and Kratz RI, non-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 BPX-5SPB-5DB-5MSDB-5MSDB-5MS
Column length (m) 30.30.30.30.30.
Carrier gas He HeHeHe
Substrate      
Column diameter (mm) 0.250.530.320.320.32
Phase thickness (mum) 0.251.50.50.50.5
Program 35C => 4C/min => 200C => 30C/min => 300C (3min)40C(1min) => 6C/min => 180C => 20C/min => 280C50C => 5C/min => 200C => 8C/min => 260C(5min)70C(1min) => 3C/min => 80C(1min) => 5C/min => 150C => 10C/min => 280C (4min)70C(1min) => 3C/min => 80C(1min) => 5C/min => 150C => 10C/min => 280C (4min)
I 910.893.902.914.914.
ReferenceDharmawan, Kasapis, et al., 2007Majcher and Jelen, 2007Selli, Rannou, et al., 2006Varlet V., Knockaert C., et al., 2006Varlet V., Knockaert C., et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5MSDB-5DB-5DB-5DB-5
Column length (m) 30.30.30.30.30.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.320.320.32
Phase thickness (mum) 0.250.251.1.1.
Program 5C(8min) => 3C/min => 20C => 10C/min => 150C(10min)40C(1min) => 6C/min => 180C => 20C/min => 280C40C(2min) => 5C/min => 100C => 4C/min => 230C (10min)40C(2min) => 5C/min => 100C => 4C/min => 230C (10min)40C (2min) => 5C/min => 100C => 4C/min => 230C (10min)
I 903.893.902.899.892.
ReferenceBonaiti, Irlinger, et al., 2005Majcher and Jelén, 2005Wang, Finn, et al., 2005Wang, Finn, et al., 2005Klesk, Qian, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5BPX-5HP-5HP-5CP Sil 8 CB
Column length (m) 50.50.50.30.60.
Carrier gas HeHe HeHe
Substrate      
Column diameter (mm) 0.20.250.320.250.25
Phase thickness (mum) 0.50.251.050.250.25
Program 40C(3min) => 10C/min => 60C =3C/min => 150C => 20C/min => 250C (5min)0C (5min) => 40C/min => 40C (2min) => 4C/min => 280C35C(5min) => 10C/min => 150C => 20C/min => 250C(10 min)5C(5min) => 3C/min => 20C => 5C/min => 100C 15C/min => 150C (5min)0C => rapidly => 40C(8min) => 4C/min => 250C(10min)
I 903.904.907.902.905.
ReferenceBoué, Shih, et al., 2003Byrne, Bredie, et al., 2002Carrapiso, Ventanas, et al., 2002Engel, Baty, et al., 2002Oruna-Concha, Bakker, et al., 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5CP Sil 8 CBCP-SIL8CP-Sil 8CB-MSDB-1
Column length (m) 30.60.60.60.60.
Carrier gas He HeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (mum) 0.250.250.250.250.25
Program 50C (1min) => 5C/min => 100C => 10C/min => 250C (9min)0C => rapidly => 40C(8min) => 4C/min => 250C(10min)40C(2min) => 4C/min => 200C => 10C/min => 250C (15min)0C(5min) => 40C/min => 40C (2min) => 4C/min => 280C-20C (5min) => 10C/min => 100C => 4C/min => 200C => 10C/min => 280C
I 902.910.902.908.878.
ReferenceBeaulieu and Grimm, 2001Duckham, Dodson, et al., 2001Woffenden, Ames, et al., 2001Elmore, Mottram, et al., 2000Eri, Khoo, et al., 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-1BPX-5BPX-5BPX-5
Column length (m) 50.15.50.50.50.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.320.530.320.320.32
Phase thickness (mum) 0.51.0.50.50.5
Program oC(5min) => 60C/min => 60C (5min) => 4C/min => 250C40C(3min) => 8C/min => 200(1min) => 5C/min => 300C(25min)0C(5min) => 40C/min => 40C(2min) => 4C/min => 280COC (5min) => 60C/min => 60C(5min) => 4C/min => 250C0C (10min) => 40C/min => 40C (2min) => 4C/min => 280C
I 912.880.917.910.913.
ReferenceParker, Hassell, et al., 2000Peng, 2000Elmore, Mottram, et al., 1999Bredie, Mottram, et al., 1998Elmore, Mottram, et al., 1997
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillary
Active phase SE-52DB-1
Column length (m) 60.15.
Carrier gas HeHe
Substrate   
Column diameter (mm) 0.320.32
Phase thickness (mum) 0.40 
Program 45 C (6 min) 3 C/min -> 111 0C 2 C/min -> 160 C 3 C/min -> 300 C (15 min)not specified
I 899.880.
ReferenceMondello, Dugo, et al., 1995Mikolajczak, Zilkowski, et al., 1984
Comment MSDC-RI MSDC-RI

References

Go To: Top, Van Den Dool and Kratz 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.

Dharmawan, Kasapis, et al., 2007
Dharmawan, J.; Kasapis, S.; Curran, P.; Johnson, J.R., Characterization of volatile compounds in selected citrus fruits from Asia. Part I: freshly-squeezed juice, Flavour Fragr. J., 2007, 22, 3, 228-232, https://doi.org/10.1002/ffj.1790 . [all data]

Majcher and Jelen, 2007
Majcher, M.A.; Jelen, H.H., Effect of Cysteine and Cystine Addition on Sensory Profile and Potent Odorants of Extruded Potato Snacks, J. Agric. Food Chem., 2007, 55, 14, 5754-5760, https://doi.org/10.1021/jf0703147 . [all data]

Selli, Rannou, et al., 2006
Selli, S.; Rannou, C.; Prost, C.; Robin, J.; Serot, T., Characterization of Aroma-Active Compounds in Rainbow Trout (Oncorhynchus mykiss) Eliciting an Off-Odor, J. Agric. Food Chem., 2006, 54, 25, 9496-9502, https://doi.org/10.1021/jf0619582 . [all data]

Varlet V., Knockaert C., et al., 2006
Varlet V.; Knockaert C.; Prost C.; Serot T., Comparison of odor-active volatile compounds of fresh and smoked salmon, J. Agric. Food Chem., 2006, 54, 9, 3391-3401, https://doi.org/10.1021/jf053001p . [all data]

Bonaiti, Irlinger, et al., 2005
Bonaiti, C.; Irlinger, F.; Spinnler, H.E.; Engel, E., An iterative sensory procedure to select odor-active associations in complex consortia of microorganisms: application to the construction of a cheese model, J. Dairy Sci., 2005, 88, 5, 1671-1684, https://doi.org/10.3168/jds.S0022-0302(05)72839-3 . [all data]

Majcher and Jelén, 2005
Majcher, M.A.; Jelén, H.H., Identification of potent odorants formed during the preparation of extruded potato snacks, J. Agric. Food Chem., 2005, 53, 16, 6432-6437, https://doi.org/10.1021/jf050412x . [all data]

Wang, Finn, et al., 2005
Wang, Y.; Finn, C.; Qian, M.C., Impact of Growing Environment on Chickasaw Blackberry ( Rubus L.) Aroma Evaluated by Gas Chromatography Olfactometry Dilution Analysis, J. Agric. Food Chem., 2005, 53, 9, 3563-3571, https://doi.org/10.1021/jf048102m . [all data]

Klesk, Qian, et al., 2004
Klesk, K.; Qian, M.; Martin, R.R., Aroma extract dilution analysis of cv. meeker (Rubus idaeus L.) red raspberries from Oregon and Washington, J. Agric. Food Chem., 2004, 52, 16, 5155-5161, https://doi.org/10.1021/jf0498721 . [all data]

Boué, Shih, et al., 2003
Boué, S.M.; Shih, B.Y.; Carter-Wientjes, C.H.; Cleveland, T.E., Identification of volatile compounds in soybean at various developmental stages using solid phase microextraction, J. Agric. Food Chem., 2003, 51, 17, 4873-4876, https://doi.org/10.1021/jf030051q . [all data]

Byrne, Bredie, et al., 2002
Byrne, D.V.; Bredie, W.L.P.; Mottram, D.S.; Martens, M., Sensory and chemical investigations on the effect of oven cooking on warmed-over flavour development in chicken meat, Meat Sci., 2002, 61, 2, 127-139, https://doi.org/10.1016/S0309-1740(01)00171-1 . [all data]

Carrapiso, Ventanas, et al., 2002
Carrapiso, A.I.; Ventanas, J.; García, C., Characterization of the most odor-active compounds of Iberian ham headspace, J. Agric. Food Chem., 2002, 50, 7, 1996-2000, https://doi.org/10.1021/jf011094e . [all data]

Engel, Baty, et al., 2002
Engel, E.; Baty, C.; le Corre, D.; Souchon, I.; Martin, N., Flavor-active compounds potentially implicated in cooked cauliflower acceptance, J. Agric. Food Chem., 2002, 50, 22, 6459-6467, https://doi.org/10.1021/jf025579u . [all data]

Oruna-Concha, Bakker, et al., 2002
Oruna-Concha, M.J.; Bakker, J.; Ames, J.M., Comparison of the volatile components of two cultivars of potato cooked by boiling, conventional baking and microwave baking, J. Sci. Food Agric., 2002, 82, 9, 1080-1087, https://doi.org/10.1002/jsfa.1148 . [all data]

Beaulieu and Grimm, 2001
Beaulieu, J.C.; Grimm, C.C., Identification of volatile compounds in cantaloupe at various developmental stages using solid phase microextraction, J. Agric. Food Chem., 2001, 49, 3, 1345-1352, https://doi.org/10.1021/jf0005768 . [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]

Woffenden, Ames, et al., 2001
Woffenden, H.M.; Ames, J.M.; Chandra, S., Relationships between antioxidant activity, color, and flavor compounds of crystal Malt extracts, J. Agric. Food Chem., 2001, 49, 11, 5524-5530, https://doi.org/10.1021/jf010583b . [all data]

Elmore, Mottram, et al., 2000
Elmore, J.S.; Mottram, D.S.; Enser, M.; Wood, J.D., The effects of diet and breed on the volatile compounds of cooked lamb, Meat Sci., 2000, 55, 2, 149-159, https://doi.org/10.1016/S0309-1740(99)00137-0 . [all data]

Eri, Khoo, et al., 2000
Eri, S.; Khoo, B.K.; Lech, J.; Hartman, T.G., Direct thermal desorption-gas chromatography and gas chromatography-mass spectrometry profiling of hop (Humulus lupulus L.) essential oils in support of varietal characterization, J. Agric. Food Chem., 2000, 48, 4, 1140-1149, https://doi.org/10.1021/jf9911850 . [all data]

Parker, Hassell, et al., 2000
Parker, J.K.; Hassell, G.M.E.; Mottram, D.S.; Guy, R.C.E., Sensory and instrumental analyses of volatiles generated during the extrusion cooking of oat flours, J. Agric. Food Chem., 2000, 48, 8, 3497-3506, https://doi.org/10.1021/jf991302r . [all data]

Peng, 2000
Peng, C.T., Prediction of retention indices. V. Influence of electronic effects and column polarity on retention index, J. Chromatogr. A, 2000, 903, 1-2, 117-143, https://doi.org/10.1016/S0021-9673(00)00901-8 . [all data]

Elmore, Mottram, et al., 1999
Elmore, J.S.; Mottram, D.S.; Enser, M.; Wood, J.D., Effect of the polyunsaturated fatty acid composition of beef muscle on the profile of aroma volatiles, J. Agric. Food Chem., 1999, 47, 4, 1619-1625, https://doi.org/10.1021/jf980718m . [all data]

Bredie, Mottram, et al., 1998
Bredie, W.L.P.; Mottram, D.S.; Guy, R.C.E., Aroma volatiles generated during extrusion cooking of maize flour, J. Agric. Food Chem., 1998, 46, 4, 1479-1487, https://doi.org/10.1021/jf9708857 . [all data]

Elmore, Mottram, et al., 1997
Elmore, J.S.; Mottram, D.S.; Enser, M.; Wood, J.D., Novel thiazoles and 3-thiazolines in cooked beef aroma, J. Agric. Food Chem., 1997, 45, 9, 3603-3607, https://doi.org/10.1021/jf970066m . [all data]

Mondello, Dugo, et al., 1995
Mondello, L.; Dugo, P.; Basile, A.; Dugo, G., Interactive use of linear retention indices, on polar and apolar columns, with a MS-library for reliable identification of complex mixtures, J. Microcolumn Sep., 1995, 7, 6, 581-591, https://doi.org/10.1002/mcs.1220070605 . [all data]

Mikolajczak, Zilkowski, et al., 1984
Mikolajczak, K.L.; Zilkowski, B.W.; Smith, C.R., Jr.; Burkholder, W.E., Volatile food attractants for Oryzaephilus surinamensis (L.) from oats, J. Chem. Ecol., 1984, 10, 2, 301-309, https://doi.org/10.1007/BF00987858 . [all data]


Notes

Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, References