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1-Butanol, 3-methyl-

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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 HP-5MSDB-5VF-5MSDB-5SE-54
Column length (m) 30.30.30.30.30.
Carrier gas HeHeHe He
Substrate      
Column diameter (mm) 0.250.250.250.250.32
Phase thickness (mum) 0.250.250.250.250.25
Program 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)40C(2min) => 4C/min => 220C => 20C/min => 280CMulti-step temperature program; T(initial)=60C; T(final)=270C40C(2min) => 4C/min => 220C => 20C/min => 280C35C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 20C/min => 230C(10min)
I 760.747.734.1747.732.
ReferenceAndriamaharavo, 2014Andrade, Sampaio, et al., 2007Tret'yakov, 2007Sampaio and Nogueira, 2006Fritsch and Schieberle, 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-54DB-1DB-5CP Sil 8 CBDB-5
Column length (m) 30.60.25.60.30.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.320.320.320.250.25
Phase thickness (mum) 0.251.0.250.250.25
Program 35C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 20C/min => 230C(10min)35C(5min) => 10C/min => 45C (5min) => 5C/min => 250C (10min)35C (2min) => 40C/min => 50C (2min) => 4C/min => 240C (10min)0C => rapidly => 40C(8min) => 4C/min => 250C(10min)50C (1min) => 5C/min => 100C => 10C/min => 250C (9min)
I 740.721.732.748.733.
ReferenceFritsch and Schieberle, 2005Place, Imhof, et al., 2003Kirchhoff and Schieberle, 2002Oruna-Concha, Bakker, et al., 2002Beaulieu and Grimm, 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5MSDB-5MSDB-5DB-5MSDB-5MS
Column length (m) 30.30.25.30.30.
Carrier gas H2H2HeHeH2/N2
Substrate      
Column diameter (mm) 0.250.250.320.250.25
Phase thickness (mum) 0.250.250.250.250.25
Program 40C (5min) => 2C/min => 200C => 5C/min => 250C (15min)40C (5min) => 2C/min => 200C => 5C/min => 250C (15min)35C(2min) => 40C/min => 50C(2min) => 4C/min => 240C(10min)60 0C (3 min) 2 K/min -> 220 0C 5 K/min -> 250 0C (15 min)40C (5min) => 2C/min => 200C => 5C/min => 250C (15min)
I 726.726.732.737.729.
ReferenceBoulanger and Crouzet, 2001Boulanger and Crouzet, 2001Kirchhoff and Schieberle, 2001Boulanger and Crouzet, 2000Boulanger and Crouzet, 2000, 2
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-5DB-5DB-5SE-54
Column length (m) 30.30.30.30.30.
Carrier gas H2H2H2H2He
Substrate      
Column diameter (mm) 0.250.250.250.250.32
Phase thickness (mum) 0.250.250.250.250.25
Program 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min)40C(5min) => 2C/min => 220C => 5C/min => 250C(15min)40C(5min) => 2C/min => 220C => 5C/min => 250C(15min)40C(5min) => 2C/min => 220C => 5C/min => 250C(15min)35C (2min) => 40C/min => 50C (2min) => 6C/min => 180C => 10C/min => 230C (10min)
I 726.734.726.734.739.
ReferenceBoulanger, Chassagne, et al., 1999Boulanger, Chassagne, et al., 1999Boulanger, Chassagne, et al., 1999Boulanger, Chassagne, et al., 1999Buettner and Schieberle, 1999
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryPacked
Active phase BPX-5SE-54SE-30
Column length (m) 50.30.3.05
Carrier gas HeHe 
Substrate   Supelcoport; Chromosorb
Column diameter (mm) 0.320.32 
Phase thickness (mum) 0.50.25 
Program OC (5min) => 60C/min => 60C(5min) => 4C/min => 250C35C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 10C/min => 230C(10min)40C(5min) => 10C/min => 200C or 250C (60min)
I 773.739.726.
ReferenceBredie, Mottram, et al., 1998Hinterholzer and Schieberie, 1998Peng, Ding, et al., 1988
Comment 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.

Andriamaharavo, 2014
Andriamaharavo, N.R., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]

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]

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

Fritsch and Schieberle, 2005
Fritsch, H.T.; Schieberle, P., Identification based on quantitative measurements and aroma recombination of the character impact odorants in a Bavarian Pilsner-type beer, J. Agric. Food Chem., 2005, 53, 19, 7544-7551, https://doi.org/10.1021/jf051167k . [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]

Kirchhoff and Schieberle, 2002
Kirchhoff, E.; Schieberle, P., Quantitation of odor-active compounds in rye flour and rye sourdough using stable isotope dilution assays, J. Agric. Food Chem., 2002, 50, 19, 5378-5385, https://doi.org/10.1021/jf020236h . [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]

Kirchhoff and Schieberle, 2001
Kirchhoff, E.; Schieberle, P., Determination of key aroma compounds in the crumb of a three-stage sourdough rye bread by stable isotope dilution assays and sensory studies, J. Agric. Food Chem., 2001, 49, 9, 4304-4311, https://doi.org/10.1021/jf010376b . [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]

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]

Buettner and Schieberle, 1999
Buettner, A.; Schieberle, P., Characterization of the most odor-active volatiles in fresh, hand squeezed juice of grapefruit (Citrus paradise Macfayden), J. Agric. Food Chem., 1999, 47, 12, 5189-5193, https://doi.org/10.1021/jf990071l . [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]

Hinterholzer and Schieberie, 1998
Hinterholzer, A.; Schieberie, P., Identification of the most odour-active volatiles in fresh, hand-extracted juice of valencia late oranges by odour dilution techniques, Flavour Fragr. J., 1998, 13, 1, 49-55, https://doi.org/10.1002/(SICI)1099-1026(199801/02)13:1<49::AID-FFJ691>3.0.CO;2-S . [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