Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Acetic acid, hexyl ester

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, polar column, temperature ramp

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 DB-Wax EtrHP-InnowaxDB-Wax EtrDB-WaxDB-Wax
Column length (m) 30.60.30.60.30.
Carrier gas   HeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.32
Phase thickness (mum) 0.250.250.250.250.5
Tstart (C) 40.40.40.40.40.
Tend (C) 250.250.250.265.265.
Heat rate (K/min) 5.4.5.7.7.
Initial hold (min) 3.2.3.  
Final hold (min) 15.10.15.5.5.
I 1275.1269.1275.1279.1265.
ReferenceAubert and Chanforan, 2007Hashizume M., Gordon M.H., et al., 2007Aubert C. and Pitrat M., 2006Gurbuz O., Rouseff J.M., et al., 2006Gurbuz O., Rouseff J.M., et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP-Wax 52CBPEGStabilwaxDB-WaxDB-Wax
Column length (m) 60.30.30.60.60.
Carrier gas HeN2N2HeHe
Substrate      
Column diameter (mm) 0.250.320.320.320.32
Phase thickness (mum) 0.250.251.1.1.
Tstart (C) 40.50.40.45.45.
Tend (C) 250.220.230.250.250.
Heat rate (K/min) 4.2.4.5.5.
Initial hold (min)  3.2.1.1.
Final hold (min)  15.10.12.12.
I 1275.1268.1254.1293.1311.
ReferenceKourkoutas, Elmore, et al., 2006Dob, Berramdane, et al., 2005Fang and Qian, 2005Malliaa, Fernandez-Garcia, et al., 2005Malliaa, Fernandez-Garcia, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase InnowaxSupelcowax-10DB-WaxZB-WaxDB-Wax Etr
Column length (m) 30.30.30.30.30.
Carrier gas HeHeH2HeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (mum) 0.250.250.250.150.25
Tstart (C) 40.60.40.35.40.
Tend (C) 200.240.250.220.245.
Heat rate (K/min) 5.3.3.1.83.
Initial hold (min) 5.5.3.10.3.
Final hold (min) 2.10.20.10.20.
I 1271.1282.1277.1265.1270.
ReferencePena, Barciela, et al., 2005Riu-Aumatell, Lopez-Tamames, et al., 2005Aubert and Bourger, 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-WaxDB-WaxDB-WaxAT-WaxAT-Wax
Column length (m) 30.30.30.60.60.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.320.32
Phase thickness (mum) 0.250.250.250.250.25
Tstart (C) 40.40.40.65.65.
Tend (C) 240.240.250.250.250.
Heat rate (K/min) 6.6.3.2.2.
Initial hold (min) 10.10. 10.10.
Final hold (min) 25.25.20.60.60.
I 1261.1267.1251.1264.1265.
ReferenceVarming, Andersen, et al., 2004Varming, Petersen, et al., 2004Brat, Rega, et al., 2003Pino and Marbot, 2001Pino, Marbot, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxCarbowax 20MDB-WaxDB-WaxCarbowax 20M
Column length (m) 30.60.30.60.25.
Carrier gas  HeHeHe 
Substrate      
Column diameter (mm) 0.320.320.250.250.31
Phase thickness (mum) 0.250.425  0.3
Tstart (C) 40.45.40.40.50.
Tend (C) 230.300.200.200.200.
Heat rate (K/min) 3.3.2.3.2.
Initial hold (min) 4.3.5.5. 
Final hold (min)  20.   
I 1264.1267.1272.1275.1295.
ReferenceRuther, 2000Mondello, Dugo, et al., 1995Iwaoka, Hagi, et al., 1994Sumitani, Suekane, et al., 1994Suárez and Duque, 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   HeHeN2
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 1295.1295.1265.1267.1248.
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 Carbowax 20MCarbowax 20M
Column length (m)   
Carrier gas He 
Substrate  Celite 545
Column diameter (mm)   
Phase thickness (mum)   
Tstart (C) 50.75.
Tend (C) 160.228.
Heat rate (K/min) 1.4.6
Initial hold (min) 10. 
Final hold (min)   
I 1257.1264.
ReferenceChen, Kuo, et al., 1982van 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]

Hashizume M., Gordon M.H., et al., 2007
Hashizume M.; Gordon M.H.; Mottram D.S., Light-induced off-flavor development in cloudy apple juice, J. Agric. Food Chem., 2007, 55, 22, 9177-9182, https://doi.org/10.1021/jf0715727 . [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]

Kourkoutas, Elmore, et al., 2006
Kourkoutas, D.; Elmore, J.S.; Mottram, D.S., Comparison of the volatile compositions and flavour properties of cantaloupe, Galia and honeydew muskmelons, Food Chem., 2006, 97, 1, 95-102, https://doi.org/10.1016/j.foodchem.2005.03.026 . [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]

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]

Malliaa, Fernandez-Garcia, et al., 2005
Malliaa, S.; Fernandez-Garcia, E.; Bosset, J.O., Comparison of purge and trap and solid phase microextraction techniques for studying the volatile aroma compounds of three European PDO hard cheeses, Int. Dairy J., 2005, 15, 6-9, 741-758, https://doi.org/10.1016/j.idairyj.2004.11.007 . [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]

Aubert and Bourger, 2004
Aubert, C.; Bourger, N., Investigation of volatiles in charentais cantaloupe melons (Cucumis melo Var. cantalupensis). Characterization of aroma constituents in some cultivars, J. Agric. Food Chem., 2004, 52, 14, 4522-4528, https://doi.org/10.1021/jf049777s . [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, Andersen, et al., 2004
Varming, C.; Andersen, M.L.; Poll, L., Influence of thermal treatment on black currant (Ribes nigrum L.) juice aroma, J. Agric. Food Chem., 2004, 52, 25, 7628-7636, https://doi.org/10.1021/jf049435m . [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]

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]

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]

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]

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]

Iwaoka, Hagi, et al., 1994
Iwaoka, W.; Hagi, Y.; Umano, K.; Shibamoto, T., Volatile chemicals identified in fresh and cooked breadfruit, J. Agric. Food Chem., 1994, 42, 4, 975-976, https://doi.org/10.1021/jf00040a026 . [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]

Suárez and Duque, 1992
Suárez, M.; Duque, C., Change in volatile compounds during lulo (Solanum vestissimum D.) fruit maturation, J. Agric. Food Chem., 1992, 40, 4, 647-649, https://doi.org/10.1021/jf00016a025 . [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. 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]

Chen, Kuo, et al., 1982
Chen, C.-C.; Kuo, M.-C.; Hwang, L.S.; Wu, J.S.-B.; Wu, C.-M., Headspace components of passion fruit juice, J. Agric. Food Chem., 1982, 30, 6, 1211-1215, https://doi.org/10.1021/jf00114a052 . [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