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1-Butanol, 3-methyl-, acetate

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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 siloxaneDB-5HP-5DB-5HP-5MS
Column length (m) 30.30.30.30.30.
Carrier gas  HeHeN2He
Substrate      
Column diameter (mm) 0.250.320.250.320.25
Phase thickness (mum) 0.250.50.251.0.25
Tstart (C) 60.40.50.40.60.
Tend (C) 270.265.250.230.250.
Heat rate (K/min) 15.7.4.4.4.
Initial hold (min)   4.2.2.
Final hold (min) 15.5.10.10.20.
I 883.878.876.869.876.
ReferenceZaikin, 2010Mahattanatawee K., Perez-Cacho P.R., et al., 2007Quijano, Salamanca, et al., 2007Fang and Qian, 2005Pino, Mesa, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP-Sil 8CB-MSSPB-5SPB-5DB-5Ultra-2
Column length (m) 60.30.30.30.25.
Carrier gas  HeHeHeH2
Substrate      
Column diameter (mm) 0.250.250.530.250.25
Phase thickness (mum) 0.250.251.50.250.33
Tstart (C) 40.60.100.60.40.
Tend (C) 280.250.250.240.280.
Heat rate (K/min) 4.4.5.3.3.
Initial hold (min) 2.2.  2.
Final hold (min) 5.20.  10.
I 877.876.862.876.875.
ReferenceHierro, de la Hoz, et al., 2004Pino, Marbot, et al., 2004Rodríguez-Burruezo, Kollmannsberger, et al., 2004Bader, Flamini, et al., 2003Ceva-Antunes, Bizzo, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SPB-5DB-1CP Sil 5 CBSPB-5DB-5
Column length (m) 30.30.25.30.30.
Carrier gas HeHeN2HeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (mum) 0.250.250.250.25 
Tstart (C) 60.40.60.60.50.
Tend (C) 250.325.280.250.250.
Heat rate (K/min) 4.3.4.4.3.
Initial hold (min) 2. 6.2. 
Final hold (min) 20.  20. 
I 876.855.5851.876.876.
ReferencePino, Marbot, et al., 2003Sun and Stremple, 2003Pino, Marbot, et al., 2002Pino, Marbot, et al., 2002, 2Isidorov, Zenkevich, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SPB-1CP Sil 5 CBHP-5DB-5DB-5
Column length (m) 30.50.30.30.30.
Carrier gas HeHeHeH2H2
Substrate      
Column diameter (mm) 0.320.320.250.320.32
Phase thickness (mum) 4.0.4 1.1.
Tstart (C) 45.60.50.40.40.
Tend (C) 240.280.200.210.210.
Heat rate (K/min) 5.3.4.3.3.
Initial hold (min) 13.10.1.  
Final hold (min) 5.60.   
I 860.855.883.875.876.
ReferenceLarráyoz, Addis, et al., 2001Pino, Marbot, et al., 2001Shalit, Katzir, et al., 2001Moio, Piombino, et al., 2000Moio, Piombino, et al., 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5CP Sil 8 CBBPX-5DB-5DB-5
Column length (m) 30.25.50.20.30.
Carrier gas H2 HeHeH2
Substrate      
Column diameter (mm) 0.320.20.320.250.32
Phase thickness (mum) 1.0.250.50 1.
Tstart (C) 40.40.40.50.40.
Tend (C) 210.200.280.350.210.
Heat rate (K/min) 3.2.4.5.53.
Initial hold (min)  8.   
Final hold (min)      
I 878.867.884.874.6875.
ReferenceMoio, Piombino, et al., 2000Yassaa, Meklati, et al., 2000Aaslyng, Elmore, et al., 1998Komárek, Richter, et al., 1998Moio and Addeo, 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-5DB-1DB-1DB-1
Column length (m) 30.30.30.60.60.
Carrier gas H2H2HeHeHe
Substrate      
Column diameter (mm) 0.320.320.320.2480.248
Phase thickness (mum) 1.1.5.0.250.25
Tstart (C) 40.40.35.50.50.
Tend (C) 210.210.270.250.250.
Heat rate (K/min) 3.3.10.5.5.
Initial hold (min)   1.  
Final hold (min)      
I 876.876.858.858.858.
ReferenceMoio and Addeo, 1998Moio and Addeo, 1998Bartelt, 1997Lee, DeMilo, et al., 1997Lee, DeMilo, et al., 1997
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1DB-1DB-1OV-101DB-5
Column length (m) 60.30.30.15.0.32
Carrier gas HeHeHe H2
Substrate      
Column diameter (mm) 0.2480.2480.2480.321.
Phase thickness (mum) 0.250.250.25  
Tstart (C) 50.50.50.35.30.
Tend (C) 250.250.250.250.180.
Heat rate (K/min) 5.5.5.6.1.5
Initial hold (min)  5.5.3.5.
Final hold (min)      
I 859.855.856.859.860.
ReferenceLee, DeMilo, et al., 1997DeMilo, Lee, et al., 1996DeMilo, Lee, et al., 1996Chisholm, Guiher, et al., 1994Guichard and Souty, 1988
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryPacked
Active phase SE-30SE-30SE-52SE-30
Column length (m) 25.25.150. 
Carrier gas   He 
Substrate    Celite
Column diameter (mm) 0.30.30.6 
Phase thickness (mum)     
Tstart (C) 50.50.10.75.
Tend (C)   200.228.
Heat rate (K/min) 6.6.1. 
Initial hold (min)     
Final hold (min)     
I 853.853.885.853.
ReferenceKorhonen, 1984Korhonen, 1984de 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]

Mahattanatawee K., Perez-Cacho P.R., et al., 2007
Mahattanatawee K.; Perez-Cacho P.R.; Davenport T.; Rouseff R., Comparison of three lychee cultivar odor profiles using gas chromatography-olfactometry and gas chromatography-sulfur detection, J. Agric. Food Chem., 2007, 55, 5, 1939-1944, https://doi.org/10.1021/jf062925p . [all data]

Quijano, Salamanca, et al., 2007
Quijano, C.E.; Salamanca, G.; Pino, J.A., Aroma volatile constituents of Colombian varieties of mango (Mangifera indica L.), Flavour Fragr. J., 2007, 22, 5, 401-406, https://doi.org/10.1002/ffj.1812 . [all data]

Fang and Qian, 2005
Fang, Y.; Qian, M., Aroma compounds in Oregon Pinot Noir wine determined by aroma extract dilution analysis (AEDA), Flavour Fragr. J., 2005, 20, 1, 22-29, https://doi.org/10.1002/ffj.1551 . [all data]

Pino, Mesa, et al., 2005
Pino, J.A.; Mesa, J.; Muñoz, Y.; Martí, M.P.; Marbot, R., Volatile components from mango (Mangifera indica L.) cultivars, J. Agric. Food Chem., 2005, 53, 6, 2213-2223, https://doi.org/10.1021/jf0402633 . [all data]

Hierro, de la Hoz, et al., 2004
Hierro, E.; de la Hoz, L.; Ordóñez, J.A., Headspace volatile compounds from salted and occasionally smoked dried meats (cecinas) as affected by animal species, Food Chem., 2004, 85, 4, 649-657, https://doi.org/10.1016/j.foodchem.2003.07.001 . [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]

Bader, Flamini, et al., 2003
Bader, A.; Flamini, G.; Cioni, P.L.; Morelli, I., Essential oil composition of Achillea santolina L. and Achillea biebersteinii Afan. collected in Jordan, Flavour Fragr. J., 2003, 18, 1, 36-38, https://doi.org/10.1002/ffj.1147 . [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]

Pino, Marbot, et al., 2003
Pino, J.; Marbot, R.; Rosado, A.; Vázquez, C., Volatile constituents of fruits of Garcinia dulcis Kurz. from Cuba, Flavour Fragr. J., 2003, 18, 4, 271-274, https://doi.org/10.1002/ffj.1187 . [all data]

Sun and Stremple, 2003
Sun, G.; Stremple, P., Retention index characterization of flavor, fragrance, and many other compounds on DB-1 and DB-XLB, 2003, retrieved from http://www.chem.agilent.com/cag/cabu/pdf/b-0279.pdf. [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, Marbot, et al., 2002, 2
Pino, J.; Marbot, R.; Rosado, A., Volatile constituents of star apple (Chrysophyllum cainito L.) from Cuba, Flavour Fragr. J., 2002, 17, 5, 401-403, https://doi.org/10.1002/ffj.1116 . [all data]

Isidorov, Zenkevich, et al., 2001
Isidorov, V.A.; Zenkevich, I.G.; Krajewska, U.; Dubis, E.N.; Jaroszynska, J.; Bal, K., Gas chromatographic analysis of essential oils with preliminary partition of components, Phytochem. Anal., 2001, 12, 2, 87-90, https://doi.org/10.1002/pca.564 . [all data]

Larráyoz, Addis, et al., 2001
Larráyoz, P.; Addis, M.; Gauch, R.; Bosset, J.O., Comparison of dynamic headspace and simultaneous distillation extraction techniques used for the analysis of the volatile components in three European PDO ewes milk cheeses, Int. Dairy J., 2001, 11, 11-12, 911-926, https://doi.org/10.1016/S0958-6946(01)00144-3 . [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]

Moio, Piombino, et al., 2000
Moio, L.; Piombino, P.; Addeo, F., Odour-impact compounds of Gorgonzola cheese, J. Dairy Res., 2000, 67, 2, 273-285, https://doi.org/10.1017/S0022029900004106 . [all data]

Yassaa, Meklati, et al., 2000
Yassaa, N.; Meklati, B.Y.; Cecinato, A., Evaluation of monoterpenic biogenic volatile organic compounds in ambient air around Eucalyptus globulus, Pinus halepensis and Cedrus atlantica trees growing in Algiers city area by chiral and achiral capillary gas chromatography, Atmos. Environ., 2000, 34, 17, 2809-2816, https://doi.org/10.1016/S1352-2310(99)00436-7 . [all data]

Aaslyng, Elmore, et al., 1998
Aaslyng, M.D.; Elmore, J.S.; Mottram, D.S., Comparison of the aroma characteristics of acid-hydrolyzed and enzyme-hydrolyzed vegetable proteins produced from soy, J. Agric. Food Chem., 1998, 46, 12, 5225-5231, https://doi.org/10.1021/jf9806816 . [all data]

Komárek, Richter, et al., 1998
Komárek, K.; Richter, P.; Hoffmann, J., Capillary gas chromatography of n-butyl and isobutyl-, n-amyl and isoamyl polyethylene glycol ethers and their derivatives, J. Chromatogr. A, 1998, 800, 2, 305-315, https://doi.org/10.1016/S0021-9673(97)01144-8 . [all data]

Moio and Addeo, 1998
Moio, L.; Addeo, F., Grana Padano cheese aroma, J. Dairy Res., 1998, 65, 2, 317-333, https://doi.org/10.1017/S0022029997002768 . [all data]

Bartelt, 1997
Bartelt, R.J., Calibration of a commercial solid-phase microextraction device for measuring headspace concentrations of organic volatiles, Anal. Chem., 1997, 69, 3, 364-372, https://doi.org/10.1021/ac960820n . [all data]

Lee, DeMilo, et al., 1997
Lee, C.-J.; DeMilo, A.B.; Moreno, D.S.; Mangan, R.L., Identification of the volatile components of E802 Mazoferm steepwater, a condensed fermented corn extractive highly attractive to the Mexican fruit fly (Diptera: Tephritidae), J. Agric. Food Chem., 1997, 45, 6, 2327-2331, https://doi.org/10.1021/jf960632y . [all data]

DeMilo, Lee, et al., 1996
DeMilo, A.B.; Lee, C.-J.; Moreno, D.S.; Martinez, A.J., Identification of volatiles derived from Citrobacter freundii fermentation of a trypticase soy broth, J. Agric. Food Chem., 1996, 44, 2, 607-612, https://doi.org/10.1021/jf950525o . [all data]

Chisholm, Guiher, et al., 1994
Chisholm, M.G.; Guiher, L.A.; Vonah, T.M.; Beaumont, J.L., Comparison of some French-American hybrid wines with white Riesling using gas chromatography-olfactometry, Am. J. Enol. Vitic, 1994, 45, 2, 201-212. [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. XXV. Branched-Chain C3-C5 Alkyl Esters of Halogenated Acetic Acids, J. Chromatogr., 1984, 288, 51-69, https://doi.org/10.1016/S0021-9673(01)93681-7 . [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