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Acetic acid, hexyl ester

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Van Den Dool and Kratz RI, non-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 5 % Phenyl methyl siloxaneSPB-5CP Sil 5 CBDB-1HP-5
Column length (m) 30.30.25.30.30.
Carrier gas  HeHeN2N2
Substrate      
Column diameter (mm) 0.250.250.250.320.25
Phase thickness (mum) 0.250.250.40.250.25
Tstart (C) 60.50.60.50.60.
Tend (C) 270.220.260.260.220.
Heat rate (K/min) 15.20.5.2.5.
Initial hold (min)  2. 3.10.
Final hold (min) 15.2.20.5. 
I 1025.1014.990.1008.1011.
ReferenceZaikin, 2010Balbontin, Gaete-Eastman, et al., 2007Kafkas, Cabaroglu, et al., 2006Dob, Berramdane, et al., 2005Flamini, Luigi Cioni, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5SPB-5SPB-5HP-5DB-1
Column length (m) 30.30.30.30.30.
Carrier gas HeHeHe He
Substrate      
Column diameter (mm) 0.250.250.530.250.25
Phase thickness (mum)  0.251.51.0.25
Tstart (C) 60.60.100.-30.40.
Tend (C) 260.250.250.250.250.
Heat rate (K/min) 3.4.5.10.3.
Initial hold (min)  2. 1. 
Final hold (min)  20.  20.
I 1008.1008.1006.1014.987.
ReferenceJavidnia, Miri, et al., 2005Pino, Marbot, et al., 2004Rodríguez-Burruezo, Kollmannsberger, et al., 2004Siegmund, Derler, et al., 2004Brat, Rega, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Ultra-2DB-5Mega 5MSCP Sil 5 CBCP Sil 5 CB
Column length (m) 25.30.30.25.50.
Carrier gas H2HeHeN2He
Substrate      
Column diameter (mm) 0.250.250.250.250.32
Phase thickness (mum) 0.330.250.250.250.4
Tstart (C) 40.60.40.60.60.
Tend (C) 280.240.240.280.280.
Heat rate (K/min) 3.3.3.4.3.
Initial hold (min) 2. 2.6.10.
Final hold (min) 10.   60.
I 1010.1011.1000.989.993.
ReferenceCeva-Antunes, Bizzo, et al., 2003Flamini, Luigi Cioni, et al., 2003Verzera, Trozzi, et al., 2003Pino, Marbot, et al., 2002Pino and Marbot, 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP Sil 5 CBHP-5DB-1HP-5Mega 5MS
Column length (m) 50.30.30.30.30.
Carrier gas HeHeH2 He
Substrate      
Column diameter (mm) 0.320.250.320.320.25
Phase thickness (mum) 0.4 0.250.250.25
Tstart (C) 60.50.40.40.40.
Tend (C) 280.200.245.280.240.
Heat rate (K/min) 3.4.3.3.3.
Initial hold (min) 10.1.3.4.2.
Final hold (min) 60. 20.  
I 993.1013.997.1015.1000.
ReferencePino, Marbot, et al., 2001Shalit, Katzir, et al., 2001Brat, Brillouet, et al., 2000Ruther, 2000Verzera, la Rosa, et al., 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1DB-5OV-101OV-101DB-5
Column length (m) 60.30.50.50.0.32
Carrier gas HeHeN2N2H2
Substrate      
Column diameter (mm) 0.250.250.250.251.
Phase thickness (mum) 0.25    
Tstart (C) 50.50.80.80.30.
Tend (C) 220.250.200.200.180.
Heat rate (K/min) 4.4.2.2.1.5
Initial hold (min)     5.
Final hold (min)      
I 1002.1010.991.993.1018.
ReferenceMirza and Sefidkon, 1999Gómez, Ledbetter, et al., 1993Yang, Sugisawa, et al., 1992Yang, Sugisawa, et al., 1992Guichard and Souty, 1988
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryPacked
Active phase SE-30CP Sil 5 CBSE-52SE-30
Column length (m) 25.25.150. 
Carrier gas N2 He 
Substrate    Celite
Column diameter (mm) 0.300.220.6 
Phase thickness (mum)     
Tstart (C) 50.70.10.75.
Tend (C)  205.200.228.
Heat rate (K/min) 6.4.1. 
Initial hold (min)     
Final hold (min)     
I 990.996.1018.993.
ReferenceKorhonen, 1984Hendriks and Bruins, 1983de Pooter, Montens, et al., 1983van den Dool and Kratz, 1963
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI

References

Go To: Top, Van Den Dool and Kratz RI, non-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.

Zaikin, 2010
Zaikin, V.G., Personal communication: Retention indices measured during 2010, 2010. [all data]

Balbontin, Gaete-Eastman, et al., 2007
Balbontin, C.; Gaete-Eastman, C.; Vergara, M.; Herrera, R.; Moya-Leon, M.A., Treatment with 1-MCP and the role of ethylene in aroma development of mountain papaya fruit, Postharvest Biol. Technol., 2007, 43, 1, 67-77, https://doi.org/10.1016/j.postharvbio.2006.08.005 . [all data]

Kafkas, Cabaroglu, et al., 2006
Kafkas, E.; Cabaroglu, T.; Selli, S.; Bozdogan, A.; Kürkçüoglu, M.; Paydas, S.; Baser, K.H.C., Identification of volatile aroma compounds of strawberry wine using solid-phase microextraction techniques coupled with gas chromatography-mass spectrometry, Flavour Fragr. J., 2006, 21, 1, 68-71, https://doi.org/10.1002/ffj.1503 . [all data]

Dob, Berramdane, et al., 2005
Dob, T.; Berramdane, T.; Chelgoum, C., Chemical composition of essential oil of Pinus halepensis Miller growing in Algeria, C.R. Chim., 2005, 8, 11-12, 1939-1945, https://doi.org/10.1016/j.crci.2005.05.007 . [all data]

Flamini, Luigi Cioni, et al., 2005
Flamini, G.; Luigi Cioni, P.; Morelli, I., Composition of the essential oils and in vivo emission of volatiles of four Lamium species from Italy: L. purpureum, L. hybridum, L. bifidum and L. amplexicaule, Food Chem., 2005, 91, 1, 63-68, https://doi.org/10.1016/j.foodchem.2004.05.047 . [all data]

Javidnia, Miri, et al., 2005
Javidnia, K.; Miri, R.; Jamalian, A., Composition of the essential oil of Salvia macrosiphon Boiss. from Iran, Flavour Fragr. J., 2005, 20, 5, 542-543, https://doi.org/10.1002/ffj.1468 . [all data]

Pino, Marbot, et al., 2004
Pino, J.A.; Marbot, R.; Rosado, A.; Vázquez, C., Volatile constituents of Malay rose apple [Syzygium malaccense (L.) Merr. Perry], Flavour Fragr. J., 2004, 19, 1, 32-35, https://doi.org/10.1002/ffj.1269 . [all data]

Rodríguez-Burruezo, Kollmannsberger, et al., 2004
Rodríguez-Burruezo, A.; Kollmannsberger, H.; Prohens, J.; Nitz, S.; Nuez, F., Analysis of the volatile aroma constituents of parental and hybrid clones of pepino (Solanum muricatum), J. Agric. Food Chem., 2004, 52, 18, 5663-5669, https://doi.org/10.1021/jf040107w . [all data]

Siegmund, Derler, et al., 2004
Siegmund, B.; Derler, K.; Pfannhauser, W., Chemical and sensory effects of glass and laminated carton packages on fruit juice products. Still a controversial topic, Lebensm. Wiss. Technol., 2004, 37, 4, 481-488, https://doi.org/10.1016/j.lwt.2003.11.005 . [all data]

Brat, Rega, et al., 2003
Brat, P.; Rega, B.; Alter, P.; Reynes, M.; Brillouet, J.-M., Distribution of volatile compounds in the pulp, cloud, and serum of freshly squeezed orange juice, J. Agric. Food Chem., 2003, 51, 11, 3442-3447, https://doi.org/10.1021/jf026226y . [all data]

Ceva-Antunes, Bizzo, et al., 2003
Ceva-Antunes, P.M.N.; Bizzo, H.R.; Alves, S.M.; Antunes, O.A.C., Analysis of volatile compounds of taperebá (Spondias mombin L.) and Cajá (Spondias mombin L.) by simultaneous distillation and extraction (SDE) and solid phase microextraction (SPME), J. Agric. Food Chem., 2003, 51, 5, 1387-1392, https://doi.org/10.1021/jf025873m . [all data]

Flamini, Luigi Cioni, et al., 2003
Flamini, G.; Luigi Cioni, P.; Morelli, I., Volatiles from leaves, fruits, and virgin oil from Olea europaea Cv. Olivastra Seggianese from Italy, J. Agric. Food Chem., 2003, 51, 5, 1382-1386, https://doi.org/10.1021/jf020854y . [all data]

Verzera, Trozzi, et al., 2003
Verzera, A.; Trozzi, A.; Gazea, F.; Cicciarelloi, G.; Cotroneo, A., Effects of rootstock on the composition of bergamot (Citrus bergamia Risso et Poiteau) essential oil, J. Agric. Food Chem., 2003, 51, 1, 206-210, https://doi.org/10.1021/jf0206872 . [all data]

Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Quert, R.; García, H., Study of essential oils of Eucalyptus resinifera Smith, E. tereticornis Smith and Corymbia maculata (Hook.) K.D. Hill L.A.S. Johnson, grown in Cuba, Flavour Fragr. J., 2002, 17, 1, 1-4, https://doi.org/10.1002/ffj.1026 . [all data]

Pino and Marbot, 2001
Pino, J.A.; Marbot, R., Volatile flavor constituents of acerola (Malpighia emarginata DC.) fruit, J. Agric. Food Chem., 2001, 49, 12, 5880-5882, https://doi.org/10.1021/jf010270g . [all data]

Pino, Marbot, et al., 2001
Pino, J.A.; Marbot, R.; Vázquez, C., Characterization of volatiles in strawberry guava (Psidium cattleianum Sabine) fruit, J. Agric. Food Chem., 2001, 49, 12, 5883-5887, https://doi.org/10.1021/jf010414r . [all data]

Shalit, Katzir, et al., 2001
Shalit, M.; Katzir, N.; Tadmor, Y.; Larkov, O.; Burger, Y.; Shalekhet, F.; Lastochkin, E.; Ravid, U.; Amar, O.; Edelstein, M.; Karchi, Z.; Lewinsohn, E., Acetyl-CoA: alcohol acetyltransferase activity and aroma formation in ripening melon fruits, J. Agric. Food Chem., 2001, 49, 2, 794-799, https://doi.org/10.1021/jf001075p . [all data]

Brat, Brillouet, et al., 2000
Brat, P.; Brillouet, J.-M.; Reynes, M.; Cogat, P.-O.; Ollé, D., Free volatile components of passion fruit puree obtained by flash vacuum-expansion, J. Agric. Food Chem., 2000, 48, 12, 6210-6214, https://doi.org/10.1021/jf000645i . [all data]

Ruther, 2000
Ruther, J., Retention index database for identification of general green leaf volatiles in plants coupled capillary gas chromatography-mass spectrometry, J. Chromatogr. A, 2000, 890, 2, 313-319, https://doi.org/10.1016/S0021-9673(00)00618-X . [all data]

Verzera, la Rosa, et al., 2000
Verzera, A.; la Rosa, G.; Zappalà, M.; Cotroneo, A., Essential oil composition of different cultivars of bergamot grown in Sicily, Ital. J. Food Sci., 2000, 12, 4, 493-501. [all data]

Mirza and Sefidkon, 1999
Mirza, M.; Sefidkon, F., Essential oil composition of two Salvia species from Iran, Salvia nemorosa L. and Salvia reuterana Boiss., Flavour Fragr. J., 1999, 14, 4, 230-232, https://doi.org/10.1002/(SICI)1099-1026(199907/08)14:4<230::AID-FFJ816>3.0.CO;2-L . [all data]

Gómez, Ledbetter, et al., 1993
Gómez, E.; Ledbetter, C.A.; Hartsell, P.L., Volatile compounds in apricot, plum, and their interspecific hybrids, J. Agric. Food Chem., 1993, 41, 10, 1669-1676, https://doi.org/10.1021/jf00034a029 . [all data]

Yang, Sugisawa, et al., 1992
Yang, R.; Sugisawa, H.; Nakatani, H.; Tamura, H.; Takagi, N., Comparison of odor quality in peel oils of acid citrus, Nippon Shokuhin Kogyo Gakkaishi, 1992, 39, 1, 16-24, https://doi.org/10.3136/nskkk1962.39.16 . [all data]

Guichard and Souty, 1988
Guichard, E.; Souty, M., Comparison of the relative quantities of aroma compounds found in fresh apricot (Prunus armeniaca) from six different varieties, Z. Lebensm. Unters. Forsch., 1988, 186, 4, 301-307, https://doi.org/10.1007/BF01027031 . [all data]

Korhonen, 1984
Korhonen, I.O.O., Gas-Liquid Chromatographic Analyses. XXVI. Separation of Unsaturated Alcohols and Their Acetyl and Haloacetyl Derivatives on Capillary Columns Coated with SE-30 and OV-351, J. Chromatogr., 1984, 288, 329-346, https://doi.org/10.1016/S0021-9673(01)93710-0 . [all data]

Hendriks and Bruins, 1983
Hendriks, H.; Bruins, A.P., A tentative identification of components in the essential oil of Cannabis sativa L. by a combination of gas chromatography negative ion chemical ionization mass spectrometry and retention indices, Biomed. Mass Spectrom., 1983, 10, 6, 377-381, https://doi.org/10.1002/bms.1200100607 . [all data]

de Pooter, Montens, et al., 1983
de Pooter, H.L.; Montens, J.P.; Willaert, G.A.; Dirinck, P.J.; Schamp, N.M., Treatment of golden delicious apples with aldehydes and carboxylic acids: effect on the headspace composition, J. Agric. Food Chem., 1983, 31, 4, 813-818, https://doi.org/10.1021/jf00118a034 . [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, non-polar column, temperature ramp, References