Hexanoic acid

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Van Den Dool and Kratz RI, non-polar column, custom temperature program

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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 SE-54DB-5DB-5DB-1DB-5MS
Column length (m) 30.30.30.60.30.
Carrier gas  HeHeHeH2
Substrate      
Column diameter (mm) 0.320.320.250.320.25
Phase thickness (μm) 0.251.0.251.0.25
Program 40C(2min) => 6C/min => 150C => 20C/min => 230C40C(2min) => 5C/min => 100C => 4C/min => 230C (10min)60C(2min) => 3C/min => 240C => 10C/min => 270C (4.5min)35C(5min) => 10C/min => 45C (5min) => 5C/min => 250C (10min)40C (5min) => 2C/min => 200C => 5C/min => 250C (15min)
I 1020.1006.984.962.989.
ReferenceSchuh and Schieberle, 2006Wang, Finn, et al., 2005Passos X.S., Castro A.C.M., et al., 2003Place, Imhof, et al., 2003Boulanger and Crouzet, 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5MSDB-5MSDB-1DB-5DB-5
Column length (m) 30.30.15.30.30.
Carrier gas H2HeHeH2H2
Substrate      
Column diameter (mm) 0.250.250.530.250.25
Phase thickness (μm) 0.250.251.0.250.25
Program 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)40C(3min) => 8C/min => 200(1min) => 5C/min => 300C(25min)40C(5min) => 2C/min => 220C => 5C/min => 250C(15min)40C(5min) => 2C/min => 220C => 5C/min => 250C(15min)
I 977.990.983.1013.970.
ReferenceBoulanger and Crouzet, 2001Boulanger and Crouzet, 2000Peng, 2000Boulanger, Chassagne, et al., 1999Boulanger, Chassagne, et al., 1999
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryPacked
Active phase SE-54SE-54Methyl SiliconeSE-30
Column length (m) 30.30. 3.05
Carrier gas HeHe  
Substrate    Supelcoport; Chromosorb
Column diameter (mm) 0.320.32  
Phase thickness (μm) 0.250.25  
Program 35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 230C (5min)35 0C 40 0C/min -> 60 0C (2 min) 6 0C/min -> 180 0C 10 0C/min -> 230 0Cnot specified40C(5min) => 10C/min => 200C or 250C (60min)
I 1019.1019.992.992.
ReferenceTairu, Hofmann, et al., 1999Tairu, Hofmann, et al., 1999, 2Peng, Yang, et al., 1991Peng, Ding, et al., 1988
Comment MSDC-RI MSDC-RI 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.

Schuh and Schieberle, 2006
Schuh, C.; Schieberle, P., Characterization of the Key Aroma Compounds in the Beverage Prepared from Darjeeling Black Tea: Quantitative Differences between Tea Leaves and Infusion, J. Agric. Food Chem., 2006, 54, 3, 916-924, https://doi.org/10.1021/jf052495n . [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]

Passos X.S., Castro A.C.M., et al., 2003
Passos X.S.; Castro A.C.M.; Pires J.S.; Garcia A.C.F.; Campos F.C.; Fernandes O.F.L.; Paula J.R.; Ferreira H.D.; Santos S.C.; Ferri P.H.; Silva M.D.R., Composition and antifungal activity of the essential oils of Caryocar brasiliensis, Pharm. Biol., 2003, 41, 5, 319-324, https://doi.org/10.1076/phbi.41.5.319.15936 . [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]

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]

Peng, 2000
Peng, C.T., Prediction of retention indices. V. Influence of electronic effects and column polarity on retention index, J. Chromatogr. A, 2000, 903, 1-2, 117-143, https://doi.org/10.1016/S0021-9673(00)00901-8 . [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]

Tairu, Hofmann, et al., 1999
Tairu, A.O.; Hofmann, T.; Schieberle, P., Characterization of the key aroma compounds in dried fruits of the West African peppertree Xylopia aethiopica (Dunal) A. Rich (Annonaceae) using aroma extract dilution analysis, J. Agric. Food Chem., 1999, 47, 8, 3285-3287, https://doi.org/10.1021/jf990228+ . [all data]

Tairu, Hofmann, et al., 1999, 2
Tairu, A.O.; Hofmann, T.; Schieberle, P., Identification of the key aroma compounds in dried fruits of Xylopia aethiopica in Perspectives on new crops and new users, Janick, J., ed(s)., ASHS Press, Alexandria, VA, USA, 1999, 474-478. [all data]

Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Maltby, D., Prediction of retention indexes. III. Silylated derivatives of polar compounds, J. Chromatogr., 1991, 586, 1, 113-129, https://doi.org/10.1016/0021-9673(91)80029-G . [all data]

Peng, Ding, et al., 1988
Peng, C.T.; Ding, S.F.; Hua, R.L.; Yang, Z.C., Prediction of Retention Indexes I. Structure-Retention Index Relationship on Apolar Columns, J. Chromatogr., 1988, 436, 137-172, https://doi.org/10.1016/S0021-9673(00)94575-8 . [all data]


Notes

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