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, non-polar column, custom temperature program

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 VF-5MSVF-5MSVF-5MSVF-5MSBPX-5
Column length (m) 30.30.30.30.30.
Carrier gas HeHeHeHe 
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (mum) 0.250.250.250.250.25
Program 40C(2min) => 5C/min => 200C (2min) => 30C/min => 260C40C(2min) => 5C/min => 200C (2min) => 30C/min => 260C40C(2min) => 5C/min => 200C (2min) => 30C/min => 260C40C(2min) => 5C/min => 200C (2min) => 30C/min => 260C35C(5min) => 3C/min => 210C => 40C/min => 240C (4min)
I 1007.1007.1007.1007.1019.
ReferenceCarasek and Pawliszyn, 2006Carasek and Pawliszyn, 2006Carasek and Pawliszyn, 2006Carasek and Pawliszyn, 2006Cardeal, da Silva, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-5DB-5DB-5DB-5
Column length (m) 30. 30.30.30.
Carrier gas   HeHeHe
Substrate      
Column diameter (mm) 0.25 0.320.250.32
Phase thickness (mum) 0.25 1.0.251.
Program 40C(2min) => 4C/min => 220C => 20C/min => 280Cnot specified40C(2min) => 5C/min => 100C => 4C/min => 230C (10min)40C(2min) => 5C/min => 100C => 4C/min => 230C(10min)40C(2min) => 2C/min => 100C => 10C/min => 230C (5min)
I 1014.1008.1022.999.1005.
ReferenceSampaio and Nogueira, 2006Campo, Ferreira, et al., 2005Wang, Finn, et al., 2005Klesk and Qian, 2003Klesk and Qian, 2003, 2
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5CP Sil 8 CBRTX-5DB-5HP-5
Column length (m) 60.25. 30.30.
Carrier gas HeHe HeHe
Substrate      
Column diameter (mm) 0.320.32 0.250.25
Phase thickness (mum) 1.0.25 0.250.25
Program 40 C(4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250C35C(2min) => 5C/min => 170C => 20C/min => 240C (10min)not specified50C (1min) => 5C/min => 100C => 10C/min => 250C (9min)50C => 6C/min => 100C => 4C/min => 280C
I 1011.1015.1011.1011.1008.
ReferenceMayr, van Ruth, et al., 2003Fuhrmann and Grosch, 2002Fuhrmann and Grosch, 2002Beaulieu and Grimm, 2001Isidorov, Krajewska, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillary
Active phase BPX-5SE-52
Column length (m) 50.60.
Carrier gas HeHe
Substrate   
Column diameter (mm) 0.320.32
Phase thickness (mum) 0.500.40
Program 0 0C (8 min) -> (1 min) -> 50 0C (2 min) 2.5 0C/min -> 100 0C 6 0C/min -> 250 0C45 C (6 min) 3 C/min -> 111 0C 2 C/min -> 160 C 3 C/min -> 300 C (15 min)
I 1013.1012.
ReferenceBauchot, Mottram, et al., 1998Mondello, Dugo, et al., 1995
Comment MSDC-RI MSDC-RI

References

Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, Notes

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

Carasek and Pawliszyn, 2006
Carasek, E.; Pawliszyn, J., Screening of Tropical Fruit Volatile Compounds Using Solid-Phase Microextraction (SPME) Fibers and Internally Cooled SPME Fiber, J. Agric. Food Chem., 2006, 54, 23, 8688-8696, https://doi.org/10.1021/jf0613942 . [all data]

Cardeal, da Silva, et al., 2006
Cardeal, Z.L.; da Silva, M.D.R.G.; Marriott, P.J., Comprehensive two-dimensional gas chromatography/mass spectrometric analysis of pepper volatiles, Rapid Commun. Mass Spectrom., 2006, 20, 19, 2823-2836, https://doi.org/10.1002/rcm.2665 . [all data]

Sampaio and Nogueira, 2006
Sampaio, T.S.; Nogueira, P.C.L., Volatile components of mangaba fruit (Hancornia speciosa Gomes) at three stages of maturity, Food Chem., 2006, 95, 4, 606-610, https://doi.org/10.1016/j.foodchem.2005.01.038 . [all data]

Campo, Ferreira, et al., 2005
Campo, E.; Ferreira, V.; Escudero, A.; Cacho, J., Prediction of the wine sensory properties related to grape variety from dynamic-headspace gas chromatography-olfactometry data, J. Agric. Food Chem., 2005, 53, 14, 5682-5690, https://doi.org/10.1021/jf047870a . [all data]

Wang, Finn, et al., 2005
Wang, Y.; Finn, C.; Qian, M.C., Impact of Growing Environment on Chickasaw Blackberry ( Rubus L.) Aroma Evaluated by Gas Chromatography Olfactometry Dilution Analysis, J. Agric. Food Chem., 2005, 53, 9, 3563-3571, https://doi.org/10.1021/jf048102m . [all data]

Klesk and Qian, 2003
Klesk, K.; Qian, M., Aroma extract dilution analysis of Cv. Marion (Rubus spp. hyb) and Cv. Evergreen (R. Iaciniatus L.) blackberries, J. Agric. Food Chem., 2003, 51, 11, 3436-3441, https://doi.org/10.1021/jf0262209 . [all data]

Klesk and Qian, 2003, 2
Klesk, K.; Qian, M., Preliminary aroma comparison of Marion (Rubus spp. hyb) and Evergreen (R. laciniatus L.) blackberries by dynamic headspace/OSME technique, J. Food Sci., 2003, 68, 2, 697-700, https://doi.org/10.1111/j.1365-2621.2003.tb05734.x . [all data]

Mayr, van Ruth, et al., 2003
Mayr, D.; van Ruth, S.; Märk, T.D., Evaluation of the influence of mastication on temporal aroma release of ripe and unripe bananas, using a model mouth system and gas chromatography-olfactometry, Eur. Food Res. Technol., 2003, 217, 4, 291-295, https://doi.org/10.1007/s00217-003-0777-1 . [all data]

Fuhrmann and Grosch, 2002
Fuhrmann, E.; Grosch, W., Character impact odorants of the apple cultivars Elstar and Cox Orange, Nahrung/Food, 2002, 46, 3, 187-193, https://doi.org/10.1002/1521-3803(20020501)46:3<187::AID-FOOD187>3.0.CO;2-5 . [all data]

Beaulieu and Grimm, 2001
Beaulieu, J.C.; Grimm, C.C., Identification of volatile compounds in cantaloupe at various developmental stages using solid phase microextraction, J. Agric. Food Chem., 2001, 49, 3, 1345-1352, https://doi.org/10.1021/jf0005768 . [all data]

Isidorov, Krajewska, et al., 2001
Isidorov, V.A.; Krajewska, U.; Dubis, E.N.; Jdanova, M.A., Partition coefficients of alkyl aromatic hydrocarbons and esters in a hexane-acetonitrile system, J. Chromatogr. A, 2001, 923, 1-2, 127-136, https://doi.org/10.1016/S0021-9673(01)00929-3 . [all data]

Bauchot, Mottram, et al., 1998
Bauchot, A.D.; Mottram, D.S.; Dodson, A.T.; John, P., Effect of aminocyclopropane-1-carboxylic acid oxidase antisense gene on the formation of volatile esters in cantaloupe charentais melon (Cv. Védrandais), J. Agric. Food Chem., 1998, 46, 11, 4787-4792, https://doi.org/10.1021/jf980692z . [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]


Notes

Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, References