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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 DB-5BPX-5BP-5CBP-5VF-5MS
Column length (m) 30.30.25.30.30.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.220.250.25
Phase thickness (mum) 0.250.250.250.250.25
Program 40C(2min) => 4C/min => 220C => 20C/min => 280C35C => 4C/min => 200C => 30C/min => 300C (3min)30C(1min) => 50C/min => 105C => 1.5C/min => 150C => 30C/min => 280C (10min)60C => 3C/min => 246C => 10C/min => 270C (5min)40C(2min) => 5C/min => 200C (2min) => 30C/min => 260C
I 1379.1380.1380.1376.1393.
ReferenceAndrade, Sampaio, et al., 2007Dharmawan, Kasapis, et al., 2007Sant'Anna, Fontes, et al., 2007Silva, Oliveira, et al., 2007Carasek and Pawliszyn, 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase VF-5MSVF-5MSBPX-5DB-5MSSE-52
Column length (m) 30.30.30.30.30.
Carrier gas HeHe HeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.32
Phase thickness (mum) 0.250.250.250.250.15
Program 40C(2min) => 5C/min => 200C (2min) => 30C/min => 260C40C(2min) => 5C/min => 200C (2min) => 30C/min => 260C35C(5min) => 3C/min => 210C => 40C/min => 240C (4min)50C(3min) => 200C(2min) => 15C/min => 300C(5min)45C => 1C/min => 100C => 5C/min => 250C (10min)
I 1393.1366.1387.1377.1377.
ReferenceCarasek and Pawliszyn, 2006Carasek and Pawliszyn, 2006Cardeal, da Silva, et al., 2006Eom S.H., Yang H.S., et al., 2006Guerrini, Sacchetti, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-5SE-52DB-1SE-52
Column length (m) 30. 30.30.30.
Carrier gas He HeHeHe
Substrate      
Column diameter (mm) 0.32 0.320.250.32
Phase thickness (mum) 0.25 0.150.250.15
Program 40C(3min) => 3C/min => 180C => 10C/min => 260C(2min)not specified45C => 1C/min => 100C => 5C/min => 250C(10min)35C => 2C/min => 200C => 5C/min => 240C45C => 1C/min => 100C => 5C/min => 250C(10min)
I 1367.1377.1377.1359.1377.
ReferenceMoon, Cliff, et al., 2006Özel, Gögüs, et al., 2006Sacchetti, Guerrini, et al., 2006Suliman F.E.O., Fatope M.O., et al., 2006Bruni, Pellati, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-525 % Phenyl methyl siloxaneDB-5MSZB-5SPB-1
Column length (m) 25.30.30.30.50.
Carrier gas H2HeHeHelium 
Substrate      
Column diameter (mm) 0.320.320.250.320.25
Phase thickness (mum) 0.430.150.250.500.25
Program 60C(8min) => 3C/min => 180C => 20C/min => 250C(10min)45C => 1C/min => 100C => 5C/min => 250C (10min)40 (5min) => 4C/min => 140C => 4C/min => 200C (20min)not specified70C(3min) => 4C/min => 120C => 8C/min => 250C
I 1369.1377.1374.1376.1383.
ReferenceLorenzo, Paz, et al., 2005Sacchetti, Maietti, et al., 2005Zheng, Kim, et al., 2005Bell, 2004Díaz-Maroto, Sánchez Palomo, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-52CP-Sil5 CB MSDB-1DB-1SE-52
Column length (m) 25.60.30.30.25.
Carrier gas H2HeHeHe 
Substrate      
Column diameter (mm) 0.320.320.320.320.32
Phase thickness (mum) 0.430.250.10.250.4
Program 60C(8min) => 3C/min => 180C => 20C/min => 250C(10min)40C(1min) => 25C/min => 120C => 2C/min => 190C => 25C/min => 250C (5min)40C(5min) => 20C/min => 100C => 2C/min => 160C => 40C/min => 250C (5min)40C(5min) => 20C/min => 100C => 2C/min => 160C => 40C/min => 250C (5min)60C(8min) => 3C/min => 180C => 20C/min => 250C(10min)
I 1371.1375.71354.01363.51373.
ReferenceFrizzo, Lorenzo, et al., 2004Helmig, Bocquet, et al., 2004Helmig, Bocquet, et al., 2004Helmig, Bocquet, et al., 2004Lorenzo, Paz, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-52DB-5MSCP Sil 8 CBBP-1CP Sil 8 CB
Column length (m) 30.30.60.50.60.
Carrier gas HeHeHe  
Substrate      
Column diameter (mm) 0.520.250.250.220.25
Phase thickness (mum) 0.150.250.250.250.25
Program 45C => 1C/min => 100C => 5C/min => 250C (10min)40C(5min) => 4C/min => 160C => 8C/min => 240C (15min)0C => rapidly => 40C(8min) => 4C/min => 250C(10min)not specified0C => rapidly => 40C(8min) => 4C/min => 250C(10min)
I 1377.1378.1389.1376.1385.
ReferenceSacchetti, Medici, et al., 2004Kim, Lee, et al., 2003Oruna-Concha, Bakker, et al., 2002Cavalli, Ranarivelo, et al., 2001Duckham, Dodson, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-52SE-52DB-1DB-1HP-5
Column length (m) 30.25.60.60.30.
Carrier gas H2HeHeHe 
Substrate      
Column diameter (mm) 0.320.250.250.250.25
Phase thickness (mum) 0.400.250.250.250.25
Program 60 0C (8 min) 3 K/min -> 180 0C 20 K/min -> 250 0C (10 min)60 0C (8 min) 3 K/min -> 180 0C 20 K/min -> 230 0C-20C (5min) => 10C/min => 100C => 4C/min => 200C => 10C/min => 280C-20C (5min) => 10C/min => 100C => 4C/min => 200C => 10C/min => 280C40C(1min) => 3C/min => 120C => 5C/min => 280C
I 1369.1376.1395.1391.1375.
ReferenceLorenzo, Paz, et al., 2001Lorenzo, Saavedra, et al., 2001Eri, Khoo, et al., 2000Eri, Khoo, et al., 2000Isidorov, Krajewska, et al., 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillary
Active phase CP Sil 5 CBBPX-5
Column length (m)  50.
Carrier gas  He
Substrate   
Column diameter (mm)  0.32
Phase thickness (mum)  0.5
Program not specified0C (5min) => 40C/min => 40C (2min) => 10C/min => 280C
I 1398.1412.
ReferenceChanegriha, Baaliouamer, et al., 1998Elmore, Erbahadir, et al., 1997
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.

Andrade, Sampaio, et al., 2007
Andrade, M.S.; Sampaio, T.S.; Nogueira, P.C.L.; Ribeiro, A.S.; Bittrich, V.; Amaral, M.C.E., Volatile compounds of the leaves, flowers and fruits of Kielmeyera rugosa Choisy (Clusiaceae), Flavour Fragr. J., 2007, 22, 1, 49-52, https://doi.org/10.1002/ffj.1751 . [all data]

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]

Sant'Anna, Fontes, et al., 2007
Sant'Anna, B.M.P.; Fontes, S.P.; Pinto, A.C.; Rezende, C.M., Characterization of woody odorant contributors in copaiba oil (Copaifera multijuga Hayne), J. Braz. Chem. Soc., 2007, 18, 5, 984-989, https://doi.org/10.1590/S0103-50532007000500016 . [all data]

Silva, Oliveira, et al., 2007
Silva, F.G.; Oliveira, C.B.A.; Pinto, J.E.B.P.; Nascimento, V.E.; Santos, S.C.; Seraphin, J.C.; Ferri, P.H., Seasonal Variability in the Essential Oils of Wild and Cultivated Baccharis trimera, J. Braz. Chem. Soc., 2007, 18, 5, 990-997, https://doi.org/10.1590/S0103-50532007000500017 . [all data]

Carasek and Pawliszyn, 2006
Carasek, E.; Pawliszyn, J., Screening of Tropical Fruit Volatile Compounds Using Solid-Phase Microextraction (SPME) Fibers and Internally Cooled SPME Fiber, J. Agric. Food Chem., 2006, 54, 23, 8688-8696, https://doi.org/10.1021/jf0613942 . [all data]

Cardeal, da Silva, et al., 2006
Cardeal, Z.L.; da Silva, M.D.R.G.; Marriott, P.J., Comprehensive two-dimensional gas chromatography/mass spectrometric analysis of pepper volatiles, Rapid Commun. Mass Spectrom., 2006, 20, 19, 2823-2836, https://doi.org/10.1002/rcm.2665 . [all data]

Eom S.H., Yang H.S., et al., 2006
Eom S.H.; Yang H.S.; Weston L.A., An evaluation of the allelopathic potential of selected perennial groundcovers: Foliar volatiles of catmint (Nepeta x faassenii) inhibit seedling growth, J. Chem. Ecol., 2006, 32, 8, 1835-1848, https://doi.org/10.1007/s10886-006-9112-1 . [all data]

Guerrini, Sacchetti, et al., 2006
Guerrini, A.; Sacchetti, G.; Muzzoli, M.; Rueda, G.M.; Medici, A.; Besco, E.; Bruni, R., Composition of the Volatile Fraction of Ocotea bofo Kunth (Lauraceae) Calyces by GC-MS and NMR Fingerprinting and Its Antimicrobial and Antioxidant Activity, J. Agric. Food Chem., 2006, 54, 20, 7778-7788, https://doi.org/10.1021/jf0605493 . [all data]

Moon, Cliff, et al., 2006
Moon, S.-Y.; Cliff, M.A.; Li-Chan, E.C.Y., Odour-active components of simulated beef flavour analysed by solid phase microextraction and gas chromatography-mass spectrometry and -olfactometry, Food Res. Int., 2006, 39, 3, 294-308, https://doi.org/10.1016/j.foodres.2005.08.002 . [all data]

Özel, Gögüs, et al., 2006
Özel, M.Z.; Gögüs, F.; Lewis, A.C., Determination of Teucrium chamaedrys volatiles by using direct thermal desorption-comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry, J. Chromatogr. A, 2006, 1114, 1, 164-169, https://doi.org/10.1016/j.chroma.2006.02.036 . [all data]

Sacchetti, Guerrini, et al., 2006
Sacchetti, G.; Guerrini, A.; Noriega, P.; Bianchi, A.; Bruni, R., Essential oil of wild Ocotea quixos (Lam.) Kosterm. (Lauraceae) leaves from Amazonian Ecuador, Flavour Fragr. J., 2006, 21, 4, 674-676, https://doi.org/10.1002/ffj.1648 . [all data]

Suliman F.E.O., Fatope M.O., et al., 2006
Suliman F.E.O.; Fatope M.O.; Al-Saidi S.H.; Al-Kindy S.M.Z.; Marwah R.G., Composition and antimicrobial activity of the essential oil of Pluchea arabica from Oman, Flavour Fragr. J., 2006, 21, 3, 469-471, https://doi.org/10.1002/ffj.1616 . [all data]

Bruni, Pellati, et al., 2005
Bruni, R.; Pellati, F.; Grazia Bellardi, M.; Benvenuti, S.; Paltrinieri, S.; Bertaccini, A.; Bianchi, A., Herbal drug quality and phytochemical composition of Hypericum perforatum L. affected by ash yellows phytoplasma infection, J. Agric. Food Chem., 2005, 53, 4, 964-968, https://doi.org/10.1021/jf0487654 . [all data]

Lorenzo, Paz, et al., 2005
Lorenzo, D.; Paz, D.; Davies, P.; Villamil, J.; Vila, R.; Canigueral, S.; Dellacassa, E., Application of Multidimensional Gas Chromatography to the Enantioselective Characterisation of the Essential Oil of Eupatorium buniifolium Hooker et Arnott, Phytochem. Anal., 2005, 16, 1, 39-44, https://doi.org/10.1002/pca.808 . [all data]

Sacchetti, Maietti, et al., 2005
Sacchetti, G.; Maietti, S.; Muzzoli, M.; Scaglianti, M.; Manfredini, S.; Radice, M.; Bruni, R., Comparative evaluation of 11 essential oils of different origin as functional antioxidants, antiradicals and antimicrobials in foods, Food Chem., 2005, 91, 4, 621-632, https://doi.org/10.1016/j.foodchem.2004.06.031 . [all data]

Zheng, Kim, et al., 2005
Zheng, C.H.; Kim, K.H.; Kim, T.H.; Lee, H.J., Analysis and characterization of aroma-active compounds of Schizandra chinensis (omija) leaves, J. Sci. Food Agric., 2005, 85, 1, 161-166, https://doi.org/10.1002/jsfa.1975 . [all data]

Bell, 2004
Bell, W.A.-M., Examination of Aroma Volatiles Formed from Thermal Processing of Florida Reconstituted Grapefruit Juice. A Thesis presented to the graduate school of the university of Florida in partial fulfillment of the requirements for the degree of master of science, 2004. [all data]

Díaz-Maroto, Sánchez Palomo, et al., 2004
Díaz-Maroto, M.C.; Sánchez Palomo, E.; Castro, L.; González Viñas, M.A.; Pérez-Coello, M.S., Changes produced in the aroma compounds and structural integrity of basil (Ocimum basilicum L) during drying, J. Sci. Food Agric., 2004, 84, 15, 2070-2076, https://doi.org/10.1002/jsfa.1921 . [all data]

Frizzo, Lorenzo, et al., 2004
Frizzo, C.D.; Lorenzo, D.; Dellacassa, E., Composition and seasonal variation of the essential oils from two mandarin cultivars of Southern Brazil, J. Agric. Food Chem., 2004, 52, 10, 3036-3041, https://doi.org/10.1021/jf030685x . [all data]

Helmig, Bocquet, et al., 2004
Helmig, D.; Bocquet, F.; Pollmann, J.; Revermann, T., Analytical techniques for sesquiterpene emission rate studies in vegetation enclosure experiments, Atmos. Environ., 2004, 38, 4, 557-572, https://doi.org/10.1016/j.atmosenv.2003.10.012 . [all data]

Lorenzo, Paz, et al., 2004
Lorenzo, D.; Paz, D.; Davies, P.; Villamil, J.; Vila, R.; Cañigueral, S.; Dellacassa, E., Characterization and enantiomeric distribution of some terpenes in the essential oil of a Uruguayan biotype of Salvia sclarea L., Flavour Fragr. J., 2004, 19, 4, 303-307, https://doi.org/10.1002/ffj.1282 . [all data]

Sacchetti, Medici, et al., 2004
Sacchetti, G.; Medici, A.; Maietti, S.; Radice, M.; Muzzoli, M.; Manfredini, S.; Braccioli, E.; Bruni, R., Composition and functional properties of the essential oil of Amazonian basil, Ocimum micranthum Willd., Labiatae in comparison with commercial essential oils, J. Agric. Food Chem., 2004, 52, 11, 3486-3491, https://doi.org/10.1021/jf035145e . [all data]

Kim, Lee, et al., 2003
Kim, T.H.; Lee, S.M.; Kim, Y.-S.; Kim, K.H.; Oh, S.; Lee, H.J., Aroma dilution method using GC injector split ratio for volatile compounds extracted by headspace solid phase microextraction, Food Chem., 2003, 83, 1, 151-158, https://doi.org/10.1016/S0308-8146(03)00221-8 . [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]

Cavalli, Ranarivelo, et al., 2001
Cavalli, J.-F.; Ranarivelo, L.; Ratsimbason, M.; Bernardini, A.-F.; Casanova, J., Constituents of the essential oil of six Helichrysum species from Madagascar, Flavour Fragr. J., 2001, 16, 4, 253-256, https://doi.org/10.1002/ffj.994 . [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]

Lorenzo, Paz, et al., 2001
Lorenzo, D.; Paz, D.; Davies, P.; Vila, R.; Canigueral, S.; Dellacassa, E., Composition of a new essential oil type of Lippia alba (Mill.) N.E. Brown from Uruguay, Flavour Fragr. J., 2001, 16, 5, 356-359, https://doi.org/10.1002/ffj.1011 . [all data]

Lorenzo, Saavedra, et al., 2001
Lorenzo, D.; Saavedra, G.; Loayza, I.; Dellacassa, E., Composition of the essential oil of Erechtites hieracifolia from Bolivia, Flavour Fragr. J., 2001, 16, 5, 353-355, https://doi.org/10.1002/ffj.1010 . [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]

Isidorov, Krajewska, et al., 2000
Isidorov, V.; Krajewska, U.; Bal, K.; Jaroszynska, J.; Niesluchowska, A.; Fuksman, I., GC-MS identification of multicomponent organic compounds mixtures using extra column phase equilibrium, Chem. Anal. (Warsaw), 2000, 45, 513-520. [all data]

Chanegriha, Baaliouamer, et al., 1998
Chanegriha, N.; Baaliouamer, A.; Rolando, C., Polarity changes during capillary gas chromatographic and gas chromatographic-mass spectrometric analysis using serially coupled columns of different natures and temperature programming. Application to the identification of constituents of essential oils, J. Chromatogr. A, 1998, 819, 1-2, 61-65, https://doi.org/10.1016/S0021-9673(98)00449-X . [all data]

Elmore, Erbahadir, et al., 1997
Elmore, J.S.; Erbahadir, M.A.; Mottram, D.S., Comparison of dynamic headspace concentration on Tenax with solid phase microextraction for the analysis of aroma volatiles, J. Agric. Food Chem., 1997, 45, 7, 2638-2641, https://doi.org/10.1021/jf960835m . [all data]


Notes

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