1-Hexanol

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 DB-5DB-5HP-5MSVF-5MSVF-5MS
Column length (m) 30. 30.30.30.
Carrier gas He HeHeHe
Substrate      
Column diameter (mm) 0.25 0.250.250.25
Phase thickness (μm) 0.25 0.250.250.25
Program 40C(2min) => 4C/min => 220C => 20C/min => 280Cnot specified50C(4min) => 10C/min => 200C(0.5min) => 20C/min => 260C(5min)Multi-step temperature program; T(initial)=60C; T(final)=270C40C(2min) => 5C/min => 200C (2min) => 30C/min => 260C
I 867.872.869.865.6828.
ReferenceAndrade, Sampaio, et al., 2007Escudero, Campo, et al., 2007Pérez, Navarro, et al., 2007Tret'yakov, 2007Carasek and Pawliszyn, 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase VF-5MSDB-5DB-5HP-5DB-1
Column length (m) 30.30.30.50.60.
Carrier gas He HeHeHe
Substrate      
Column diameter (mm) 0.250.250.320.20.32
Phase thickness (μm) 0.250.251.0.51.
Program 40C(2min) => 5C/min => 200C (2min) => 30C/min => 260C40C(2min) => 4C/min => 220C => 20C/min => 280C40C (2min) => 5C/min => 100C => 4C/min => 230C (10min)40C(3min) => 10C/min => 60C =3C/min => 150C => 20C/min => 250C (5min)35C(5min) => 10C/min => 45C (5min) => 5C/min => 250C (10min)
I 828.867.884.876.853.
ReferenceCarasek and Pawliszyn, 2006Sampaio and Nogueira, 2006Klesk, Qian, et al., 2004Boué, Shih, et al., 2003Place, Imhof, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP Sil 8 CBDB-5DB-5MSDB-5MSDB-5MS
Column length (m) 60.30.30.30.30.
Carrier gas HeHeH2H2He
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.250.250.250.25
Program 0C => rapidly => 40C(8min) => 4C/min => 250C(10min)50C (1min) => 5C/min => 100C => 10C/min => 250C (9min)40C (5min) => 2C/min => 200C => 5C/min => 250C (15min)40C (5min) => 2C/min => 200C => 5C/min => 250C (15min)60 0C (3 min) 2 K/min -> 220 0C 5 K/min -> 250 0C (15 min)
I 876.865.863.872.870.
ReferenceOruna-Concha, Bakker, et al., 2002Beaulieu and Grimm, 2001Boulanger and Crouzet, 2001Boulanger and Crouzet, 2001Boulanger and Crouzet, 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5MSCP-Sil 8CB-MSDB-5DB-5DB-5
Column length (m) 30.60.50.30.30.
Carrier gas H2/N2HeHeH2H2
Substrate      
Column diameter (mm) 0.250.250.320.250.25
Phase thickness (μm) 0.250.250.50.250.25
Program 40C (5min) => 2C/min => 200C => 5C/min => 250C (15min)0C(5min) => 40C/min => 40C (2min) => 4C/min => 280CoC(5min) => 60C/min => 60C (5min) => 4C/min => 250C40C(5min) => 2C/min => 220C => 5C/min => 250C(15min)40C(5min) => 2C/min => 220C => 5C/min => 250C(15min)
I 871.876.876.867.871.
ReferenceBoulanger and Crouzet, 2000, 2Elmore, Mottram, et al., 2000Parker, Hassell, et al., 2000Boulanger, Chassagne, et al., 1999Boulanger, Chassagne, et al., 1999
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-5BPX-5BPX-5SE-54
Column length (m) 30.30.50.50.25.
Carrier gas H2H2HeHeH2
Substrate      
Column diameter (mm) 0.250.250.320.320.31
Phase thickness (μm) 0.250.250.50.5 
Program 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min)40C(5min) => 2C/min => 220C => 5C/min => 250C(15min)0C(5min) => 40C/min => 40C(2min) => 4C/min => 280COC (5min) => 60C/min => 60C(5min) => 4C/min => 250Cnot specified
I 867.871.888.873.868.
ReferenceBoulanger, Chassagne, et al., 1999Boulanger, Chassagne, et al., 1999Elmore, Mottram, et al., 1999Bredie, Mottram, et al., 1998Li, Wang, et al., 1998
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 (μm) 0.50.40
Program OC => 60C/min => 60C(5min) => 4C/min => 250C(20min)45 C (6 min) 3 C/min -> 111 0C 2 C/min -> 160 C 3 C/min -> 300 C (15 min)
I 874.868.
ReferenceOwens J.D., Allagheny N., et al., 1997Mondello, 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.

Andrade, Sampaio, et al., 2007
Andrade, M.S.; Sampaio, T.S.; Nogueira, P.C.L.; Ribeiro, A.S.; Bittrich, V.; Amaral, M.C.E., Volatile compounds of the leaves, flowers and fruits of Kielmeyera rugosa Choisy (Clusiaceae), Flavour Fragr. J., 2007, 22, 1, 49-52, https://doi.org/10.1002/ffj.1751 . [all data]

Escudero, Campo, et al., 2007
Escudero, A.; Campo, E.; Fariña, L.; Cacho, J.; Ferreira, V., Analytical Characterization of the Aroma of Five Premium Red Wines. Insights into the Role of Odor Families and the Concept of Fruitiness of Wines, J. Agric. Food Chem., 2007, 55, 11, 4501-4510, https://doi.org/10.1021/jf0636418 . [all data]

Pérez, Navarro, et al., 2007
Pérez, R.A.; Navarro, T.; de Lorenzo, C., HS-SPME analysis of the volatile compounds from spices as a source of flavour in 'Campo Real' table olive preparations, Flavour Fragr. J., 2007, 22, 4, 265-273, https://doi.org/10.1002/ffj.1791 . [all data]

Tret'yakov, 2007
Tret'yakov, K.V., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2007. [all data]

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]

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]

Klesk, Qian, et al., 2004
Klesk, K.; Qian, M.; Martin, R.R., Aroma extract dilution analysis of cv. meeker (Rubus idaeus L.) red raspberries from Oregon and Washington, J. Agric. Food Chem., 2004, 52, 16, 5155-5161, https://doi.org/10.1021/jf0498721 . [all data]

Boué, Shih, et al., 2003
Boué, S.M.; Shih, B.Y.; Carter-Wientjes, C.H.; Cleveland, T.E., Identification of volatile compounds in soybean at various developmental stages using solid phase microextraction, J. Agric. Food Chem., 2003, 51, 17, 4873-4876, https://doi.org/10.1021/jf030051q . [all data]

Place, Imhof, et al., 2003
Place, R.B.; Imhof, M.; Teuber, M.; Olivier Bosset, J., Distribution of the volatile (flavour) compounds in Raclette cheese produced with different staphylococci in the smear, Mitt. Lebensmittelunters. Hyg., 2003, 94, 192-211. [all data]

Oruna-Concha, Bakker, et al., 2002
Oruna-Concha, M.J.; Bakker, J.; Ames, J.M., Comparison of the volatile components of two cultivars of potato cooked by boiling, conventional baking and microwave baking, J. Sci. Food Agric., 2002, 82, 9, 1080-1087, https://doi.org/10.1002/jsfa.1148 . [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]

Boulanger and Crouzet, 2001
Boulanger, R.; Crouzet, J., Identification of the aroma components of acerola (Malphigia glabra L.): free and bound flavor compounds, Food Chem., 2001, 74, 2, 209-216, https://doi.org/10.1016/S0308-8146(01)00128-5 . [all data]

Boulanger and Crouzet, 2000
Boulanger, R.; Crouzet, J., Free and bound flavour components of Amazonian fruits: 2. cupuacu volatile compounds, Flavour Fragr. J., 2000, 15, 4, 251-257, https://doi.org/10.1002/1099-1026(200007/08)15:4<251::AID-FFJ905>3.0.CO;2-2 . [all data]

Boulanger and Crouzet, 2000, 2
Boulanger, R.; Crouzet, J., Free and bound flavour components of Amazonian fruits: 3-glycosidically bound components of cupuacu, Food Chem., 2000, 70, 4, 463-470, https://doi.org/10.1016/S0308-8146(00)00112-6 . [all data]

Elmore, Mottram, et al., 2000
Elmore, J.S.; Mottram, D.S.; Enser, M.; Wood, J.D., The effects of diet and breed on the volatile compounds of cooked lamb, Meat Sci., 2000, 55, 2, 149-159, https://doi.org/10.1016/S0309-1740(99)00137-0 . [all data]

Parker, Hassell, et al., 2000
Parker, J.K.; Hassell, G.M.E.; Mottram, D.S.; Guy, R.C.E., Sensory and instrumental analyses of volatiles generated during the extrusion cooking of oat flours, J. Agric. Food Chem., 2000, 48, 8, 3497-3506, https://doi.org/10.1021/jf991302r . [all data]

Boulanger, Chassagne, et al., 1999
Boulanger, R.; Chassagne, D.; Crouzet, J., Free and bound flavour components of amazonian fruits. 1: Bacuri, Flavour Fragr. J., 1999, 14, 5, 303-311, https://doi.org/10.1002/(SICI)1099-1026(199909/10)14:5<303::AID-FFJ834>3.0.CO;2-C . [all data]

Elmore, Mottram, et al., 1999
Elmore, J.S.; Mottram, D.S.; Enser, M.; Wood, J.D., Effect of the polyunsaturated fatty acid composition of beef muscle on the profile of aroma volatiles, J. Agric. Food Chem., 1999, 47, 4, 1619-1625, https://doi.org/10.1021/jf980718m . [all data]

Bredie, Mottram, et al., 1998
Bredie, W.L.P.; Mottram, D.S.; Guy, R.C.E., Aroma volatiles generated during extrusion cooking of maize flour, J. Agric. Food Chem., 1998, 46, 4, 1479-1487, https://doi.org/10.1021/jf9708857 . [all data]

Li, Wang, et al., 1998
Li, W.; Wang, H.; Sun, Y.; Huang, A.; Sun, Y., Capillary gas chromatographic analysis of volatile components in goat feces, Fenxi Huaxue, 1998, 26, 8, 935-939. [all data]

Owens J.D., Allagheny N., et al., 1997
Owens J.D.; Allagheny N.; Kipping G.; Ames J.M., Formation of volatile compounds during Bacillus subtilis fermentation of soya beans, J. Sci. Food Agric., 1997, 74, 1, 132-140, https://doi.org/10.1002/(SICI)1097-0010(199705)74:1<132::AID-JSFA779>3.0.CO;2-8 . [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