Decanal

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Van Den Dool and Kratz 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 HP-5MSBPX-5VF-5MSVF-5MSVF-5MS
Column length (m) 30.30.30.30.30.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.250.250.250.25
Program 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)35C => 4C/min => 200C => 30C/min => 300C (3min)40C(2min) => 5C/min => 200C (2min) => 30C/min => 260C40C(2min) => 5C/min => 200C (2min) => 30C/min => 260C40C(2min) => 5C/min => 200C (2min) => 30C/min => 260C
I 1209.11214.1199.1199.1199.
ReferenceAndriamaharavo, 2014Dharmawan, Kasapis, et al., 2007Carasek and Pawliszyn, 2006Carasek and Pawliszyn, 2006Carasek and Pawliszyn, 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase VF-5MSDB-5DB-5DB-5DB-5MS
Column length (m) 30.30. 30.30.
Carrier gas HeHe  He
Substrate      
Column diameter (mm) 0.250.32 0.250.32
Phase thickness (μm) 0.250.25 0.250.5
Program 40C(2min) => 5C/min => 200C (2min) => 30C/min => 260C40C(3min) => 3C/min => 180C => 10C/min => 260C(2min)not specified40C(2min) => 4C/min => 220C => 20C/min => 280C50C => 5C/min => 200C => 8C/min => 260C(5min)
I 1199.1198.1209.1204.1206.
ReferenceCarasek and Pawliszyn, 2006Moon, Cliff, et al., 2006Özel, Gögüs, et al., 2006Sampaio and Nogueira, 2006Selli, Rannou, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5MSHP-5MSSE-52LM-5DB-5
Column length (m) 30.30.30.30.30.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.320.250.320.250.32
Phase thickness (μm) 0.50.250.150.251.
Program 70C(1min) => 3C/min => 80C(1min) => 5C/min => 150C => 10C/min => 280C (4min)5C(8min) => 3C/min => 20C => 10C/min => 150C(10min)45C => 1C/min => 100C => 5C/min => 250C(10min)60C(2min) => 15C/min => 180C => 5C/min => 280C (10min)40C(2min) => 5C/min => 100C => 4C/min => 230C (10min)
I 1213.1206.1202.1204.1206.
ReferenceVarlet V., Knockaert C., et al., 2006Bonaiti, Irlinger, et al., 2005Bruni, Pellati, et al., 2005Ré-Poppi and Santiago-Silva, 2005Wang, Finn, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-52DB-5MSDB-5MSBPX-5HP-5
Column length (m) 25.30.30.50.30.
Carrier gas H2HeHeHeHe
Substrate      
Column diameter (mm) 0.320.250.250.250.25
Phase thickness (μm) 0.430.250.250.250.25
Program 60C(8min) => 3C/min => 180C => 20C/min => 250C(10min)40C(5min) => 4C/min => 160C => 8C/min => 240C (15min)40C(5min) => 4C/min => 160C => 8C/min => 240C (15min)0C (5min) => 40C/min => 40C (2min) => 4C/min => 280C5C(5min) => 3C/min => 20C => 5C/min => 100C 15C/min => 150C (5min)
I 1205.1206.1202.1209.1204.
ReferenceFrizzo, Lorenzo, et al., 2004Kim, Lee, et al., 2003Kim, Lee, et al., 2003Byrne, Bredie, et al., 2002Engel, Baty, et al., 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5SE-52CP Sil 8 CBDB-5DB-5
Column length (m) 30.25.60.30.30.
Carrier gas HeH2HeHeHe
Substrate      
Column diameter (mm) 0.320.320.250.250.25
Phase thickness (μm) 0.250.400.250.250.25
Program 40C(1min) => 40C/min => 50C(2min) => 6C/min => 240C60 C (8 min) 3 C/min -> 180 C 20 C/min -> 250 C (10 min)0C => rapidly => 40C(8min) => 4C/min => 250C(10min)35 C (2 min) 40 C/min -> 50 C (2 min) 4 C/min -> 230 C50C (1min) => 5C/min => 100C => 10C/min => 250C (9min)
I 1206.1200.1209.1209.1205.
ReferenceJezussek, Juliano, et al., 2002Lorenzo, Loayza, et al., 2002Oruna-Concha, Bakker, et al., 2002Zehentbauer and Reineccius, 2002Beaulieu and Grimm, 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP Sil 8 CBUltra-2DB-1DB-1BP-1
Column length (m) 60.50.60.60. 
Carrier gas   HeHe 
Substrate      
Column diameter (mm) 0.250.20.250.25 
Phase thickness (μm) 0.250.110.250.25 
Program 0C => rapidly => 40C(8min) => 4C/min => 250C(10min)35C (1min) => 4C/min => 160C => 45C/min => 300C (10min)-20C (5min) => 10C/min => 100C => 4C/min => 200C => 10C/min => 280C-20C (5min) => 10C/min => 100C => 4C/min => 200C => 10C/min => 280Cnot specified
I 1213.1206.1183.1185.1184.
ReferenceDuckham, Dodson, et al., 2001Sartin, Halsall, et al., 2001Eri, Khoo, et al., 2000Eri, Khoo, et al., 2000Filippini, Tomi, et al., 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-52DB-5DB-1SE-54SE-52
Column length (m) 25.50.15.30.25.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.320.530.320.25
Phase thickness (μm) 0.250.51.0.250.25
Program 60C(8min) => 3C/min => 180C => 20C/min => 230CoC(5min) => 60C/min => 60C (5min) => 4C/min => 250C40C(3min) => 8C/min => 200(1min) => 5C/min => 300C(25min)35C (2min) => 40C/min => 50C (2min) => 6C/min => 180C => 10C/min => 230C (10min)60 0C (8 min) 3 K/min -> 180 0C 20 K/min -> 230 0C
I 1204.1216.1184.1204.1206.
ReferenceLorenzo, Dellacassa, et al., 2000Parker, Hassell, et al., 2000Peng, 2000Buettner and Schieberle, 1999Loayza, de Groot, et al., 1999
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase RTX-5SE-54SE-54BPX-5SE-54
Column length (m)  30.30.50.30.
Carrier gas  HeHeHeHe
Substrate      
Column diameter (mm)  0.320.320.320.32
Phase thickness (μm)  0.250.250.50.25
Program not specified35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 230C (5min)35 0C 40 0C/min -> 60 0C (2 min) 6 0C/min -> 180 0C 10 0C/min -> 230 0COC (5min) => 60C/min => 60C(5min) => 4C/min => 250C35C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 10C/min => 230C(10min)
I 1204.1207.1207.1215.1204.
ReferenceMutti and Grosch, 1999Tairu, Hofmann, et al., 1999Tairu, Hofmann, et al., 1999, 2Bredie, Mottram, et al., 1998Hinterholzer and Schieberie, 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase BPX-5BPX-5SE-52DB-5SE-54
Column length (m) 50.50.60.30. 
Carrier gas HeHeHeHe 
Substrate      
Column diameter (mm) 0.320.320.320.25 
Phase thickness (μm) 0.50.50.401. 
Program 0C (10min) => 40C/min => 40C (2min) => 4C/min => 280COC => 60C/min => 60C(5min) => 4C/min => 250C(20min)45 C (6 min) 3 C/min -> 111 0C 2 C/min -> 160 C 3 C/min -> 300 C (15 min)35C (2min) => 40C/min => 50C (1min) => 6C/min => 250C (10min)35C (2min) => 40C/min => 50C (1min) => 6C/min => 250C (10min)
I 1218.1194.1204.1208.1208.
ReferenceElmore, Mottram, et al., 1997Owens J.D., Allagheny N., et al., 1997Mondello, Dugo, et al., 1995Triqui and Reineccius, 1995Triqui and Reineccius, 1995
Comment MSDC-RI MSDC-RI MSDC-RI 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.

Andriamaharavo, 2014
Andriamaharavo, N.R., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [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]

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]

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]

Sampaio and Nogueira, 2006
Sampaio, T.S.; Nogueira, P.C.L., Volatile components of mangaba fruit (Hancornia speciosa Gomes) at three stages of maturity, Food Chem., 2006, 95, 4, 606-610, https://doi.org/10.1016/j.foodchem.2005.01.038 . [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]

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]

Ré-Poppi and Santiago-Silva, 2005
Ré-Poppi, N.; Santiago-Silva, M., Polycyclic aromatic hydrocarbons and other selected organic compounds in ambient air of Campo Grande City, Brazil, Atmos. Environ., 2005, 39, 16, 2839-2850, https://doi.org/10.1016/j.atmosenv.2004.10.006 . [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]

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]

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]

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]

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]

Jezussek, Juliano, et al., 2002
Jezussek, M.; Juliano, B.O.; Schieberle, P., Comparison of key aroma compounds in cooked brown rice varieties based on aroma extract dilution analysis, J. Agric. Food Chem., 2002, 50, 5, 1101-1105, https://doi.org/10.1021/jf0108720 . [all data]

Lorenzo, Loayza, et al., 2002
Lorenzo, D.; Loayza, I.; Dellacassa, E., Composition of the essential oil of Tagetes maxima Kuntze from Bolivia, Flavour Fragr. J., 2002, 17, 2, 115-118, https://doi.org/10.1002/ffj.1062 . [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]

Zehentbauer and Reineccius, 2002
Zehentbauer, G.; Reineccius, G.A., Determination of key aroma components of cheddar cheese using dynamic headspace dilution assay, Flavour Fragr. J., 2002, 17, 4, 300-305, https://doi.org/10.1002/ffj.1102 . [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]

Sartin, Halsall, et al., 2001
Sartin, J.H.; Halsall, C.J.; Davison, B.; Owen, S.; Hewitt, C.N., Determination of biogenic volatile organic compounds (C8-C16) in the coastal atmosphere at Mace Head, Ireland, Anal. Chim. Acta., 2001, 428, 1, 61-72, https://doi.org/10.1016/S0003-2670(00)01214-9 . [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]

Filippini, Tomi, et al., 2000
Filippini, M.-H.; Tomi, F.; Casanova, J., Composition of the leaf oil of Ferula arrigonii Bocchieri, Flavour Fragr. J., 2000, 15, 3, 195-198, https://doi.org/10.1002/1099-1026(200005/06)15:3<195::AID-FFJ891>3.0.CO;2-6 . [all data]

Lorenzo, Dellacassa, et al., 2000
Lorenzo, D.; Dellacassa, E.; Atti-Serafini, L.; Santos, A.C.; Frizzo, C.; Paroul, N.; Moyna, P.; Mondello, L.; Dugo, G., Composition and stereoanalysis of Cymbopogon winterianus Jowitt oil from Southern Brazil, Flavour Fragr. J., 2000, 15, 3, 177-181, https://doi.org/10.1002/1099-1026(200005/06)15:3<177::AID-FFJ887>3.0.CO;2-M . [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]

Buettner and Schieberle, 1999
Buettner, A.; Schieberle, P., Characterization of the most odor-active volatiles in fresh, hand squeezed juice of grapefruit (Citrus paradise Macfayden), J. Agric. Food Chem., 1999, 47, 12, 5189-5193, https://doi.org/10.1021/jf990071l . [all data]

Loayza, de Groot, et al., 1999
Loayza, I.; de Groot, W.; Lorenzo, D.; Dellacassa, E.; Mondello, L.; Dugo, G., Composition of the essential oil of Porophyllum ruderale (Jacq.) Cass. from Bolivia, Flavour Fragr. J., 1999, 14, 6, 393-398, https://doi.org/10.1002/(SICI)1099-1026(199911/12)14:6<393::AID-FFJ849>3.0.CO;2-5 . [all data]

Mutti and Grosch, 1999
Mutti, B.; Grosch, W., Potent odorants of boiled potatoes, Nahrung, 1999, 43, 5, 302-306, https://doi.org/10.1002/(SICI)1521-3803(19991001)43:5<302::AID-FOOD302>3.0.CO;2-8 . [all data]

Tairu, Hofmann, et al., 1999
Tairu, A.O.; Hofmann, T.; Schieberle, P., Characterization of the key aroma compounds in dried fruits of the West African peppertree Xylopia aethiopica (Dunal) A. Rich (Annonaceae) using aroma extract dilution analysis, J. Agric. Food Chem., 1999, 47, 8, 3285-3287, https://doi.org/10.1021/jf990228+ . [all data]

Tairu, Hofmann, et al., 1999, 2
Tairu, A.O.; Hofmann, T.; Schieberle, P., Identification of the key aroma compounds in dried fruits of Xylopia aethiopica in Perspectives on new crops and new users, Janick, J., ed(s)., ASHS Press, Alexandria, VA, USA, 1999, 474-478. [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]

Hinterholzer and Schieberie, 1998
Hinterholzer, A.; Schieberie, P., Identification of the most odour-active volatiles in fresh, hand-extracted juice of valencia late oranges by odour dilution techniques, Flavour Fragr. J., 1998, 13, 1, 49-55, https://doi.org/10.1002/(SICI)1099-1026(199801/02)13:1<49::AID-FFJ691>3.0.CO;2-S . [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]

Owens J.D., Allagheny N., et al., 1997
Owens J.D.; Allagheny N.; Kipping G.; Ames J.M., Formation of volatile compounds during Bacillus subtilis fermentation of soya beans, J. Sci. Food Agric., 1997, 74, 1, 132-140, https://doi.org/10.1002/(SICI)1097-0010(199705)74:1<132::AID-JSFA779>3.0.CO;2-8 . [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]

Triqui and Reineccius, 1995
Triqui, R.; Reineccius, G.A., Changes in flavor profiles with ripening of anchovy (Engraulis encrasicholus), J. Agric. Food Chem., 1995, 43, 7, 1883-1889, https://doi.org/10.1021/jf00055a024 . [all data]


Notes

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