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1-Butanol, 3-methyl-, acetate

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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 DB-Wax EtrDB-WaxInnowaxDB-WaxDB-Wax Etr
Column length (m) 30.30.30.30.30.
Carrier gas  HeH2HeHe
Substrate      
Column diameter (mm) 0.250.250.250.320.25
Phase thickness (mum) 0.250.250.250.50.25
Tstart (C) 40.50.45.40.40.
Tend (C) 250.180.210.240.250.
Heat rate (K/min) 5.3.53.57.5.
Initial hold (min) 3.2.5. 3.
Final hold (min) 15.25.20.5.15.
I 1115.1121.1132.1143.1123.
ReferenceAubert and Chanforan, 2007Botelho, Caldeira, et al., 2007Botelho, Caldeira, et al., 2007Mahattanatawee K., Perez-Cacho P.R., et al., 2007Aubert C. and Pitrat M., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxDB-WaxDB-WaxStabilwax
Column length (m) 60.30.30.30.30.
Carrier gas HeHeHe N2
Substrate      
Column diameter (mm) 0.250.320.250.320.32
Phase thickness (mum) 0.250.50.250.51.
Tstart (C) 40.40.50.40.40.
Tend (C) 265.265.220.200.230.
Heat rate (K/min) 7.7.4.5.4.
Initial hold (min)   4.3.2.
Final hold (min) 5.5.20.8.10.
I 1126.1125.1112.1134.1114.
ReferenceGurbuz O., Rouseff J.M., et al., 2006Gurbuz O., Rouseff J.M., et al., 2006Osorio, Alarcon, et al., 2006Petka, Ferreira, et al., 2006Fang and Qian, 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase InnowaxSupelcowax-10CP-Wax 52CBZB-WaxDB-Wax Etr
Column length (m) 30.30.30.30.30.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (mum) 0.250.250.20.150.25
Tstart (C) 40.60.80.35.40.
Tend (C) 200.240.240.220.245.
Heat rate (K/min) 5.3.10.1.83.
Initial hold (min) 5.5.4.10.3.
Final hold (min) 2.10. 10.20.
I 1125.1139.1121.1117.1118.
ReferencePena, Barciela, et al., 2005Riu-Aumatell, Lopez-Tamames, et al., 2005Ferrari, Lablanquie, et al., 2004Ledauphin, Saint-Clair, et al., 2004Ménager, Jost, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxAT-WaxDB-FFAPSupelcowax-10Supelcowax-10
Column length (m) 30.60.30.60.60.
Carrier gas HeHeH2HeHe
Substrate      
Column diameter (mm) 0.250.320.320.250.25
Phase thickness (mum) 0.250.250.250.250.25
Tstart (C) 40.65.40.35.35.
Tend (C) 240.250.240.195.195.
Heat rate (K/min) 6.2.5.2.2.
Initial hold (min) 10.10.2. 5.
Final hold (min) 25.60. 90.90.
I 1115.1107.1116.1126.1126.
ReferenceVarming, Petersen, et al., 2004Pino, Marbot, et al., 2001Charles, Martin, et al., 2000Chung, 2000Chung, 1999
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP-Wax 52CBCarbowax 20MDB-WaxDB-WaxDB-Wax
Column length (m) 50.60.60.60.30.
Carrier gas H2HeHeHeHe
Substrate      
Column diameter (mm) 0.230.320.250.250.25
Phase thickness (mum) 0.120.425   
Tstart (C) 50.45.40.35.40.
Tend (C) 200.300.200.180.200.
Heat rate (K/min) 1.53.3.3.2.
Initial hold (min) 10.3.5.5.10.
Final hold (min) 10.20.   
I 1118.1119.1123.1127.1123.
ReferenceChyau, Mau, et al., 1996Mondello, Dugo, et al., 1995Sumitani, Suekane, et al., 1994Stashenko, Macku, et al., 1992Umano, Hagi, et al., 1992
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Carbowax 20MCarbowax 20MDB-WaxDB-WaxOV-351
Column length (m) 25.25.30.30.25.
Carrier gas   HeHe 
Substrate      
Column diameter (mm) 0.310.310.250.250.32
Phase thickness (mum)   0.250.25 
Tstart (C) 50.50.50.50.50.
Tend (C) 200.200.250.250. 
Heat rate (K/min) 2.2.4.4.6.
Initial hold (min)   3.3. 
Final hold (min)      
I 1120.1120.1115.1115.1117.
ReferenceSuárez and Duque, 1991Suárez and Duque, 1991Fröhlich, Duque, et al., 1989Fröhlich, Duque, et al., 1989Korhonen, 1984
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryPacked
Active phase OV-351Carbowax 20M
Column length (m) 25. 
Carrier gas   
Substrate  Celite 545
Column diameter (mm) 0.32 
Phase thickness (mum)   
Tstart (C) 50.75.
Tend (C)  228.
Heat rate (K/min) 6.4.6
Initial hold (min)   
Final hold (min)   
I 1117.1116.
ReferenceKorhonen, 1984van den Dool and Kratz, 1963
Comment 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.

Aubert and Chanforan, 2007
Aubert, C.; Chanforan, C., Postharvest Changes in Physicochemical Properties and Volatile Constituents of Apricot (Prunus armeniaca L.). Characterization of 28 Cultivars, J. Agric. Food Chem., 2007, 55, 8, 3074-3082, https://doi.org/10.1021/jf063476w . [all data]

Botelho, Caldeira, et al., 2007
Botelho, G.; Caldeira, I.; Mendes-Faia, A.; Clímaco, M.C., Evaluation of two quantitative gas chromatography-olfactometry methods for clonal red wines differentiation, Flavour Fragr. J., 2007, 22, 5, 414-420, https://doi.org/10.1002/ffj.1815 . [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]

Aubert C. and Pitrat M., 2006
Aubert C.; Pitrat M., Volatile compounds in the skin and pulp of Queen Anne's pocket melon, J. Agric. Food Chem., 2006, 54, 21, 8177-8182, https://doi.org/10.1021/jf061415s . [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]

Osorio, Alarcon, et al., 2006
Osorio, C.; Alarcon, M.; Moreno, C.; Bonilla, A.; Barrios, J.; Garzon, C.; Duque, C., Characterization of Odor-Active Volatiles in Champa ( Campomanesia lineatifolia R. P.), J. Agric. Food Chem., 2006, 54, 2, 509-516, https://doi.org/10.1021/jf052098c . [all data]

Petka, Ferreira, et al., 2006
Petka, J.; Ferreira, V.; González-Viñas, M.A.; Cacho, J., Sensory and Chemical Characterization of the Aroma of a White Wine Made with Devín Grapes, J. Agric. Food Chem., 2006, 54, 3, 909-915, https://doi.org/10.1021/jf0518397 . [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]

Pena, Barciela, et al., 2005
Pena, R.M.; Barciela, J.; Herrero, C.; Garcia-Martin, S., Optimization of solid-phase microextraction methods for GC-MS determination of terpenes in wine, J. Sci. Food Agric., 2005, 85, 7, 1227-1234, https://doi.org/10.1002/jsfa.2121 . [all data]

Riu-Aumatell, Lopez-Tamames, et al., 2005
Riu-Aumatell, M.; Lopez-Tamames, E.; Buxaderas, S., Assessment of the Volatile Composition of Juices of Apricot, Peach, and Pear According to Two Pectolytic Treatments, J. Agric. Food Chem., 2005, 53, 20, 7837-7843, https://doi.org/10.1021/jf051397z . [all data]

Ferrari, Lablanquie, et al., 2004
Ferrari, G.; Lablanquie, O.; Cantagrel, R.; Ledauphin, J.; Payot, T.; Fournier, N.; Guichard, E., Determination of key odorant compounds in freshly distilled cognac using GC-O, GC-MS, and sensory evaluation, J. Agric. Food Chem., 2004, 52, 18, 5670-5676, https://doi.org/10.1021/jf049512d . [all data]

Ledauphin, Saint-Clair, et al., 2004
Ledauphin, J.; Saint-Clair, J.-F.; Lablanquie, O.; Guichard, H.; Founier, N.; Guichard, E.; Barillier, D., Identification of trace volatile compounds in freshly distilled calvados and cognac using preparative separations coupled with gas chromatography-mass spectrometry, J. Agric. Food Chem., 2004, 52, 16, 5124-5134, https://doi.org/10.1021/jf040052y . [all data]

Ménager, Jost, et al., 2004
Ménager, I.; Jost, M.; Aubert, C., Changes in physicochemical characteristics and volatile constituents of strawberry (Cv. Cigaline) during maturation, J. Agric. Food Chem., 2004, 52, 5, 1248-1254, https://doi.org/10.1021/jf0350919 . [all data]

Varming, Petersen, et al., 2004
Varming, C.; Petersen, M.A.; Poll, L., Comparison of isolation methods for the determination of important aroma compounds in black currant (Ribes nigrum L.) juice, using nasal impact frequency profiling, J. Agric. Food Chem., 2004, 52, 6, 1647-1652, https://doi.org/10.1021/jf035133t . [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]

Charles, Martin, et al., 2000
Charles, M.; Martin, B.; Ginies, C.; Etievant, P.; Coste, G.; Guichard, E., Potent aroma compounds of two red wine vinegars, J. Agric. Food Chem., 2000, 48, 1, 70-77, https://doi.org/10.1021/jf9905424 . [all data]

Chung, 2000
Chung, H.Y., Volatile flavor components in red fermented soybean (Glycine max) curds, J. Agric. Food Chem., 2000, 48, 5, 1803-1809, https://doi.org/10.1021/jf991272s . [all data]

Chung, 1999
Chung, H.Y., Volatile components in fermented soybean (Glycine max) curds, J. Agric. Food Chem., 1999, 47, 7, 2690-2696, https://doi.org/10.1021/jf981166a . [all data]

Chyau, Mau, et al., 1996
Chyau, C.-C.; Mau, J.-L.; Wu, C.-M., Characteristics of the steam-distilled oil and carbon dioxide extract of Zanthoxylum simulans and fruits, J. Agric. Food Chem., 1996, 44, 4, 1096-1099, https://doi.org/10.1021/jf950577d . [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]

Sumitani, Suekane, et al., 1994
Sumitani, H.; Suekane, S.; Nakatani, A.; Tatsuka, K., Changes in composition of volatile compounds in high pressure treated peach, J. Agric. Food Chem., 1994, 42, 3, 785-790, https://doi.org/10.1021/jf00039a037 . [all data]

Stashenko, Macku, et al., 1992
Stashenko, H.; Macku, C.; Shibamato, T., Monitoring volatile chemicals formed from must during yeast fermentation, J. Agric. Food Chem., 1992, 40, 11, 2257-2259, https://doi.org/10.1021/jf00023a040 . [all data]

Umano, Hagi, et al., 1992
Umano, K.; Hagi, Y.; Nakahara, K.; Shoji, A.; Shibamoto, T., Volatile constituents of green and ripened pineapple (Aanas comosus [L.] Merr.), J. Agric. Food Chem., 1992, 40, 4, 599-603, https://doi.org/10.1021/jf00016a014 . [all data]

Suárez and Duque, 1991
Suárez, M.; Duque, C., Volatile constituents of lulo (Salanum vestissimum D.) fruit, J. Agric. Food Chem., 1991, 39, 8, 1498-1500, https://doi.org/10.1021/jf00008a026 . [all data]

Fröhlich, Duque, et al., 1989
Fröhlich, O.; Duque, C.; Schreier, P., Volatile constituents of curuba (Passiflora mollissima) fruit, J. Agric. Food Chem., 1989, 37, 2, 421-425, https://doi.org/10.1021/jf00086a033 . [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]

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