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Dodecanal

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Van Den Dool and Kratz RI, polar column, temperature ramp

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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 BP-20RTX-WaxDB-WaxDB-WaxDB-Wax
Column length (m) 50.60.60.30.60.
Carrier gas HeHeHeHeN2
Substrate      
Column diameter (mm) 0.220.220.250.320.25
Phase thickness (mum) 0.250.250.250.50.25
Tstart (C) 60.60.40.40.70.
Tend (C) 220.230.265.265.230.
Heat rate (K/min) 2.2.7.7.2.
Initial hold (min)     2.
Final hold (min) 20.35.5.5.20.
I 1710.1715.1729.1729.1718.
ReferenceDuquesnoy, Castola, et al., 2007Paolini, Muselli, et al., 2007Gurbuz O., Rouseff J.M., et al., 2006Gurbuz O., Rouseff J.M., et al., 2006Choi, 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxCarbowax 20MInnowaxSupelcowax
Column length (m) 30.60.60.15.25.
Carrier gas HeN2HeHe 
Substrate      
Column diameter (mm) 0.320.250.250.250.25
Phase thickness (mum) 0.50.250.250.250.25
Tstart (C) 40.70.45.35.35.
Tend (C) 240.230.250.225.225.
Heat rate (K/min) 7.2.2.4.4.
Initial hold (min)  2.0.175.5.
Final hold (min) 5.20. 20.10.
I 1722.1716.1685.1708.1728.
ReferenceMahattanatawee, Rouseff, et al., 2005Njoroge, Koaze, et al., 2005Verzera, Campisi, et al., 2005Chisholm, Jell, et al., 2003Chisholm, Wilson, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SupelcowaxDB-WaxDB-WaxZB-WaxDB-Wax
Column length (m) 25.60.30.60.60.
Carrier gas  N2 HeN2
Substrate      
Column diameter (mm) 0.250.250.320.320.25
Phase thickness (mum) 0.250.250.50.250.25
Tstart (C) 35.70.40.40.70.
Tend (C) 225.230.240.220.230.
Heat rate (K/min) 4.2.7.3.2.
Initial hold (min) 5.2.   
Final hold (min) 10.20.5. 20.
I 1728.1718.1722.1698.1711.
ReferenceChisholm, Wilson, et al., 2003Choi, 2003Högnadóttir and Rouseff, 2003Brunton, Cronin, et al., 2002Choi, Kim. M.-S.L., et al., 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase BP-20DB-WaxCP-Wax 52CBDB-WaxDB-Wax
Column length (m) 50.30.60.60.30.
Carrier gas HeHeHeN2 
Substrate      
Column diameter (mm) 0.220.320.250.250.32
Phase thickness (mum) 0.250.500.250.250.25
Tstart (C) 60.40.45.70.100.
Tend (C) 220.240.250.230.240.
Heat rate (K/min) 2.7.2.2.5.
Initial hold (min)   0.172.1.
Final hold (min) 20.5. 20. 
I 1708.1720.1685.1718.1700.
ReferenceLota, de Rocca Serra, et al., 2002Lin and Rouseff, 2001Verzera, Campisi, et al., 2001Choi and Sawamura, 2000Marques, McElfresh, et al., 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxHP-WaxBP-20Carbowax 20MDB-Wax
Column length (m) 15.15.50.60.60.
Carrier gas HeHeHeHe 
Substrate      
Column diameter (mm) 0.530.530.220.320.25
Phase thickness (mum) 1.1.0.250.4250.25
Tstart (C) 40.40.60.45.50.
Tend (C) 220.220.230.300.230.
Heat rate (K/min) 5.5.2.3.2.
Initial hold (min) 3.3. 3. 
Final hold (min) 30.30.35.20.60.
I 1735.1724.1708.1704.1708.
ReferencePeng, 2000Peng, 2000Lota, Serra, et al., 1999Mondello, Dugo, et al., 1995Shiratsuchi, Shimoda, et al., 1994
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryPacked
Active phase DB-WaxDB-WaxCarbowax 20M
Column length (m) 60.60. 
Carrier gas HeHe 
Substrate   Celite 545
Column diameter (mm) 0.250.32 
Phase thickness (mum) 0.25  
Tstart (C) 50.50.75.
Tend (C) 230.225.228.
Heat rate (K/min) 2.1.54.6
Initial hold (min)    
Final hold (min) 60.50. 
I 1708.1696.1710.
ReferenceShiratsuchi, Shimoda, et al., 1994, 2Chen and Ho, 1987van den Dool and Kratz, 1963
Comment MSDC-RI MSDC-RI MSDC-RI

References

Go To: Top, Van Den Dool and Kratz RI, polar column, temperature ramp, Notes

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

Duquesnoy, Castola, et al., 2007
Duquesnoy, E.; Castola, V.; Casanova, J., Composition and chemical variability of the twig oil of Abies alba Miller from Corsica, Flavour Fragr. J., 2007, 22, 4, 293-299, https://doi.org/10.1002/ffj.1796 . [all data]

Paolini, Muselli, et al., 2007
Paolini, J.; Muselli, A.; Bernardini, A.-F.; Bighelli, A.; Casanova, J.; Costa, J., Thymol derivatives from essential oil of Doronicum corsicum L., Flavour Fragr. J., 2007, 22, 6, 479-487, https://doi.org/10.1002/ffj.1824 . [all data]

Gurbuz O., Rouseff J.M., et al., 2006
Gurbuz O.; Rouseff J.M.; Rouseff R.L., Comparison of aroma volatiles in commercial Merlot and Cabernet Sauvignon wines using gas chromatography - Olfactometry and gas chromatography - Mass spectrometry, J. Agric. Food Chem., 2006, 54, 11, 3990-3996, https://doi.org/10.1021/jf053278p . [all data]

Choi, 2005
Choi, H.-S., Characteristic odor components of kumquat (Fortunella japonica Swingle) peel oil, J. Agric. Food Chem., 2005, 53, 5, 1642-1647, https://doi.org/10.1021/jf040324x . [all data]

Mahattanatawee, Rouseff, et al., 2005
Mahattanatawee, K.; Rouseff, R.; Filomena Valim, M.; Naim, M., Identification and aroma impact of norisoprenoids in orange juice, J. Agric. Food Chem., 2005, 53, 2, 393-397, https://doi.org/10.1021/jf049012k . [all data]

Njoroge, Koaze, et al., 2005
Njoroge, S.M.; Koaze, H.; Karanja, P.N.; Sawamura, M., Volatile Constituents of Redblush Grapefruit ( Citrus paradisi) and Pummelo ( Citrus grandis) Peel Essential Oils from Kenya, J. Agric. Food Chem., 2005, 53, 25, 9790-9794, https://doi.org/10.1021/jf051373s . [all data]

Verzera, Campisi, et al., 2005
Verzera, A.; Campisi, S.; Zappalá, M., SUPELCO. Using SPME-GC-MS to characterize volatile components of honey as indicators of botanical origin, 2005, retrieved from http://www.sigmaaldrich.com/Brands/SupelcoHome/TheReporter.html. [all data]

Chisholm, Jell, et al., 2003
Chisholm, M.G.; Jell, J.A.; Cass, D.M., Jr., Characterization of the major odorants found in the peel oil of Citrus reticulata Blanco cv. Clementine using gas chromatography-olfactometry, Flavour Fragr. J., 2003, 18, 4, 275-281, https://doi.org/10.1002/ffj.1188 . [all data]

Chisholm, Wilson, et al., 2003
Chisholm, M.G.; Wilson, M.A.; Gaskey, G.M., Characterization of aroma volatiles in key lime essential oils (Cirtrus aurantifolia Swingle), Flavour Fragr. J., 2003, 18, 2, 106-115, https://doi.org/10.1002/ffj.1172 . [all data]

Choi, 2003
Choi, H.-S., Character impact odorants of Citrus Hallabong [(C. unshiu Marcov × C. sinensis Osbeck) × C. reticulata Blanco] cold-pressed peel oil, J. Agric. Food Chem., 2003, 51, 9, 2687-2692, https://doi.org/10.1021/jf021069o . [all data]

Högnadóttir and Rouseff, 2003
Högnadóttir, Á.; Rouseff, R.L., Identification of aroma active compounds in organce essence oil using gas chromatography-olfactometry and gas chromatography-mass spectrometry, J. Chromatogr. A, 2003, 998, 1-2, 201-211, https://doi.org/10.1016/S0021-9673(03)00524-7 . [all data]

Brunton, Cronin, et al., 2002
Brunton, N.P.; Cronin, D.A.; Monahan, F.J., Volatile components associated with freshly cooked and oxidized off-flavours in turkey breast meat, Flavour Fragr. J., 2002, 17, 5, 327-334, https://doi.org/10.1002/ffj.1087 . [all data]

Choi, Kim. M.-S.L., et al., 2002
Choi, H.-S.; Kim. M.-S.L.; Sawamura, M., Constituents of the essential oil of cnidium officinale Makino, a Korean medicinal plant, Flavour Fragr. J., 2002, 17, 1, 49-53, https://doi.org/10.1002/ffj.1038 . [all data]

Lota, de Rocca Serra, et al., 2002
Lota, M.-L.; de Rocca Serra, D.; Tomi, F.; Jacquemond, C.; Casanova, J., Volatile components of peel and leaf oils of lemon and lime species, J. Agric. Food Chem., 2002, 50, 4, 796-805, https://doi.org/10.1021/jf010924l . [all data]

Lin and Rouseff, 2001
Lin, J.; Rouseff, R.L., Characterization of aroma-impact compounds in cold-pressed grapefruit oil using time-intensity GC-olfactometry and GC-MS, Flavour Fragr. J., 2001, 16, 6, 457-463, https://doi.org/10.1002/ffj.1041 . [all data]

Verzera, Campisi, et al., 2001
Verzera, A.; Campisi, S.; Zappalá, M.; Bonaccorsi, I., SPME-GC-MS analysis of honey volatile components for the characterization of different floral origin, Am. Lab. Fairfield Conn., 2001, 33, 15, 18-21. [all data]

Choi and Sawamura, 2000
Choi, H.-S.; Sawamura, M., Composition of the essential oil of Citrus tamurana Hort. ex Tanaka (Hyuganatsu), J. Agric. Food Chem., 2000, 48, 10, 4868-4873, https://doi.org/10.1021/jf000651e . [all data]

Marques, McElfresh, et al., 2000
Marques, F.A.; McElfresh, J.S.; Millar, J.G., Kováts retention indexes of monounsaturated C12, C14, and C16 alcohols, acetates and aldehydes commonly found in lepidopteran pheromone blends, J. Braz. Chem. Soc., 2000, 11, 6, 592-599, https://doi.org/10.1590/S0103-50532000000600007 . [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]

Lota, Serra, et al., 1999
Lota, M.-L.; Serra, D.R.; Tomi, F.; Bessiere, J.-M.; Casanova, J., Chemical composition of peel and leaf essential oils of Citrus medica L. and C. limonimedica Lush., Flavour Fragr. J., 1999, 14, 3, 161-166, https://doi.org/10.1002/(SICI)1099-1026(199905/06)14:3<161::AID-FFJ801>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]

Shiratsuchi, Shimoda, et al., 1994
Shiratsuchi, H.; Shimoda, M.; Imayoshi, K.; Noda, K.; Osajima, Y., Off-flavor compounds in spray-dried skim milk powder, J. Agric. Food Chem., 1994, 42, 6, 1323-1327, https://doi.org/10.1021/jf00042a014 . [all data]

Shiratsuchi, Shimoda, et al., 1994, 2
Shiratsuchi, H.; Shimoda, M.; Imayoshi, K.; Noda, K.; Osajima, Y., Volatile flavor compounds in spray-dried skim milk powder, J. Agric. Food Chem., 1994, 42, 4, 984-988, https://doi.org/10.1021/jf00040a028 . [all data]

Chen and Ho, 1987
Chen, C.-C.; Ho, C.-T., Gas chromatographic analysis of thermal degradation products of gingerol compounds in steam-distilled oil from ginger (Zingiber officinale Roscoe), J. Chromatogr., 1987, 387, 499-504, https://doi.org/10.1016/S0021-9673(01)94559-5 . [all data]

van den Dool and Kratz, 1963
van den Dool, H.; Kratz, P. Dec., A generalization of the retention index system including linear temperature programmed gas-liquid partition chromatography, J. Chromatogr., 1963, 11, 463-471, https://doi.org/10.1016/S0021-9673(01)80947-X . [all data]


Notes

Go To: Top, Van Den Dool and Kratz RI, polar column, temperature ramp, References