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Butanoic 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 DB-5SE-54DB-5DB-5DB-5
Column length (m)  30.30.30.30.
Carrier gas   HeHeHe
Substrate      
Column diameter (mm)  0.320.320.320.32
Phase thickness (mum)  0.251.1.1.
Program not specified40C(2min) => 6C/min => 150C => 20C/min => 230C40C(2min) => 5C/min => 100C => 4C/min => 230C (10min)40C(2min) => 5C/min => 100C => 4C/min => 230C (10min)40C (2min) => 5C/min => 100C => 4C/min => 230C (10min)
I 822.821.815.817.812.
ReferenceEscudero, Campo, et al., 2007Schuh and Schieberle, 2006Wang, Finn, et al., 2005Wang, Finn, et al., 2005Klesk, Qian, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-1DB-5DB-5DB-5MS
Column length (m) 30.60.30.30.30.
Carrier gas HeHeHeHeH2
Substrate      
Column diameter (mm) 0.250.320.320.250.25
Phase thickness (mum) 0.251.0.250.250.25
Program 40C(2min) => 5C/min => 100C => 4C/min => 230C(10min)35C(5min) => 10C/min => 45C (5min) => 5C/min => 250C (10min)40C(1min) => 40C/min => 50C(2min) => 6C/min => 240C35 C (2 min) 40 C/min -> 50 C (2 min) 4 C/min -> 230 C40C (5min) => 2C/min => 200C => 5C/min => 250C (15min)
I 808.780.815.821.790.
ReferenceKlesk and Qian, 2003Place, Imhof, et al., 2003Jezussek, Juliano, et al., 2002Zehentbauer and Reineccius, 2002Boulanger and Crouzet, 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1DB-1DB-5DB-1SE-54
Column length (m) 60.60.30.15.30.
Carrier gas HeHe HeHe
Substrate      
Column diameter (mm) 0.250.250.320.530.32
Phase thickness (mum) 0.250.250.251.0.25
Program -20C (5min) => 10C/min => 100C => 4C/min => 200C => 10C/min => 280C-20C (5min) => 10C/min => 100C => 4C/min => 200C => 10C/min => 280C40C(2min) => 40C/min => 50C (1min) => 6C/min => 180C => 10C/min => 240C (5min)40C(3min) => 8C/min => 200(1min) => 5C/min => 300C(25min)35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C (5min) => 10C/min => 230C (5min)
I 826.830.829.814.821.
ReferenceEri, Khoo, et al., 2000Eri, Khoo, et al., 2000Munk, Munch, et al., 2000Peng, 2000Tairu, Hofmann, et al., 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-54SE-54SE-54RTX-5SE-54
Column length (m) 30.30.30.30.30.
Carrier gas HeHeHe He
Substrate      
Column diameter (mm) 0.250.320.320.530.32
Phase thickness (mum) 0.250.250.251.0.25
Program 35C(2min) => 40C/min => 60C => 6C/min => 180C 20C/min => 240C(10min)35C (2min) => 40C/min => 50C (2min) => 6C/min => 180C => 10C/min => 230C (10min)35C (2min) => 40C/min => 50C => 4C/min => 230C (10min)not specified40C (2min) => 40C/min => 50C (2min) => 240C (10min)
I 835.821.820.785.821.
ReferenceZimmermann and Schieberle, 2000Buettner and Schieberle, 1999Derail, Hofmann, et al., 1999Heiler and Schieberle, 1997Münch, Hofmann, et al., 1997
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryPacked
Active phase Methyl SiliconeSE-30
Column length (m)  3.05
Carrier gas   
Substrate  Supelcoport; Chromosorb
Column diameter (mm)   
Phase thickness (mum)   
Program not specified40C(5min) => 10C/min => 200C or 250C (60min)
I 823.823.
ReferencePeng, Yang, et al., 1991Peng, Ding, et al., 1988
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.

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]

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]

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]

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]

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]

Jezussek, Juliano, et al., 2002
Jezussek, M.; Juliano, B.O.; Schieberle, P., Comparison of key aroma compounds in cooked brown rice varieties based on aroma extract dilution analysis, J. Agric. Food Chem., 2002, 50, 5, 1101-1105, https://doi.org/10.1021/jf0108720 . [all data]

Zehentbauer and Reineccius, 2002
Zehentbauer, G.; Reineccius, G.A., Determination of key aroma components of cheddar cheese using dynamic headspace dilution assay, Flavour Fragr. J., 2002, 17, 4, 300-305, https://doi.org/10.1002/ffj.1102 . [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]

Eri, Khoo, et al., 2000
Eri, S.; Khoo, B.K.; Lech, J.; Hartman, T.G., Direct thermal desorption-gas chromatography and gas chromatography-mass spectrometry profiling of hop (Humulus lupulus L.) essential oils in support of varietal characterization, J. Agric. Food Chem., 2000, 48, 4, 1140-1149, https://doi.org/10.1021/jf9911850 . [all data]

Munk, Munch, et al., 2000
Munk, S.; Munch, P.; Stahnke, L.; Adler-Nissen., J.; Schieberle, P., Primary odorants of laundry soiled with sweat/sebum: influence of lipase on the odor profile, Journal of Surfactants and Detergents, 2000, 3, 4, 505-515, https://doi.org/10.1007/s11743-000-0150-z . [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]

Tairu, Hofmann, et al., 2000
Tairu, A.O.; Hofmann, T.; Schieberle, P., Studies on the key odorants formed by roasting of wild mango seeds (Irvingia gabonensis), J. Agric. Food Chem., 2000, 48, 6, 2391-2394, https://doi.org/10.1021/jf990765u . [all data]

Zimmermann and Schieberle, 2000
Zimmermann, M.; Schieberle, P., Important odorants of sweet bell pepper powder (Capsicum annuum cv. annuum): differences between samples of Hungarian and Morrocan origin, Eur. Food Res. Technol., 2000, 211, 3, 175-180, https://doi.org/10.1007/s002170050019 . [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]

Derail, Hofmann, et al., 1999
Derail, C.; Hofmann, T.; Schieberle, P., Differences in key odorants of handmade juice of yellow-flesh peaches (Prunus persica L.) induced by the workup procedure, J. Agric. Food Chem., 1999, 47, 11, 4742-4745, https://doi.org/10.1021/jf990459g . [all data]

Heiler and Schieberle, 1997
Heiler, C.; Schieberle, P., Quantitative instrumental and sensory studies on Aroma compounds contributing to a metallic flavour defect in buttermilk, Int. Dairy J., 1997, 7, 10, 659-666, https://doi.org/10.1016/S0958-6946(97)00067-8 . [all data]

Münch, Hofmann, et al., 1997
Münch, P.; Hofmann, T.; Schieberle, P., Comparison of key odorants generated by thermal treatment of commercial and self-prepared yeast extracts: influence of the amino acid composition on odorant formation, J. Agric. Food Chem., 1997, 45, 4, 1338-1344, https://doi.org/10.1021/jf960658p . [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