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Butanoic acid

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Van Den Dool and Kratz RI, 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 Supelcowax-10DB-WaxFFAPStabilwaxFFAP
Column length (m) 30.30.25.30.30.
Carrier gas HeH2HeHe 
Substrate      
Column diameter (mm) 0.250.320.320.250.32
Phase thickness (mum) 0.250.50.20.250.25
Program 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)40C(5min) => 4C/min => 100C6C/min => 136C => 3C/min => 220C (10min)40C(1min) => 40C/min => 60C(1min) => 6C/min => 180C => 15C/min => 240C40C => 3C/min => 100C => 5C/min => 240C(10min)40C(2min) => 6C/min => 150C => 20C/min => 230C
I 1630.1641.1620.1627.1625.
ReferenceBianchi, Careri, et al., 2007Escudero, Campo, et al., 2007Frauendorfer and Schieberle, 2006Natali N., Chinnici F., et al., 2006Schuh and Schieberle, 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxFFAPFFAPDB-FFAP
Column length (m) 30.30.30.60.30.
Carrier gas H2H2HeHe 
Substrate      
Column diameter (mm) 0.320.320.320.250.32
Phase thickness (mum) 0.50.50.250.50.25
Program 60C(3min) => 2C/min => 220C => 3C/min => 245C (20min)60C(3min) => 2C/min => 220C => 3C/min => 245C(20min)35C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 20C/min => 230C(10min)50C(3min) => 3C/min => 100C => 10C/min => 220C (13.5min)40C(2min) => 6C/min => 150C => 20C/min => 230C
I 1622.1622.1629.1657.1625.
ReferenceSelli, Canbas, et al., 2006Selli, Canbas, et al., 2006, 2Fritsch and Schieberle, 2005Ranau and Steinhart, 2005Schuh and Schieberle, 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase StabilwaxStabilwaxDB-WaxStabilwaxDB-Wax
Column length (m) 30.30.60.30.30.
Carrier gas HeHeHeHeH2
Substrate      
Column diameter (mm) 0.320.320.250.320.32
Phase thickness (mum) 1.1.0.251.0.5
Program 40C(2min) => 5C/min => 100C => 4C/min => 230C (10min)40C(2min) => 5C/min => 100C => 4C/min => 230C (10min)35C(0.7min) => 20C/min => 70C => 4C/min => 240C40C (2min) => 5C/min => 100C => 4C/min => 230C (10min)60C(3min) => 2C/min => 220C => 3C/min => 245C (20min)
I 1648.1663.1620.1650.1622.
ReferenceWang, Finn, et al., 2005Wang, Finn, et al., 2005Ferrari, Lablanquie, et al., 2004Klesk, Qian, et al., 2004Selli, Cabaroglu, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP-Wax 52CBCarbowax 20MDB-FFAPStabilwaxFFAP
Column length (m) 60.25.30.30.25.
Carrier gas HeH2 HeHe
Substrate      
Column diameter (mm) 0.250.320.320.320.32
Phase thickness (mum) 0.250.250.251.0.3
Program 45C(5min) => 10C/min => 80C => 2C/min => 240C40C (8min) => 3C/min => 180C => 20C/min => 230C35C(2min) => 6C/min => 180C => 10C/min => 240C (10min)40C(2min) => 5C/min => 100C => 4C/min => 230C(10min)35C(2min) => 5C/min => 170C => 20C/min => 240C (10min)
I 1635.1670.1618.1650.1617.
ReferenceVerzera, Ziino, et al., 2004Boido, Lloret, et al., 2003Huynh-Ba, Matthey-Doret, et al., 2003Klesk and Qian, 2003Fuhrmann and Grosch, 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase FFAPFFAPFFAPDB-WaxFFAP
Column length (m) 30.30.30.30.30.
Carrier gas HeHeHeH2 
Substrate      
Column diameter (mm) 0.250.320.320.320.32
Phase thickness (mum) 0.250.250.250.50.25
Program 40C(1min) => 40C/min => 50C(2min) => 6C/min => 240C35C (2min) => 60C/min => 50C (2min) => 6C/min => 240C (10min)35C (2min) => 60C/min => 50C (2min) => 6C/min => 240C (10min)60C (3min) => 2C/min => 220C => 3C/min => 245C (20min)50C (2min) => 6C/min => 180C => 10C/min => 240C(10min)
I 1625.1618.1618.1610.1625.
ReferenceJezussek, Juliano, et al., 2002Kirchhoff and Schieberle, 2002Kirchhoff and Schieberle, 2002Nurgel, Erten, et al., 2002Rhlid, Fleury, et al., 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-FFAPDB-WaxDB-WaxFFAPDB-FFAP
Column length (m) 30.30.30.30.30.
Carrier gas HeH2 HeHe
Substrate      
Column diameter (mm) 0.250.250.250.320.32
Phase thickness (mum) 0.250.250.250.250.25
Program 35 0C (2 min) 40 K/min -> 60 0C (2 min) 6 K/min -> 230 0C60C (3min) => 2C/min => 220C => 5C/min => 250C (15min)20C(30s) => fast => 60C => 4C/min => 220C (20min)40C(2min) => 40C/min => 60C(2min) => 6C/min => 240C(10min)35C(2min) => 40C/min => 60C (2min) => 5C/min => 240C
I 1629.1599.1611.1618.1622.
ReferenceZehentbauer and Reineccius, 2002Boulanger and Crouzet, 2001Cantergiani, Brevard, et al., 2001Kirchhoff and Schieberle, 2001Rychlik and Bosset, 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxDB-WaxDB-FFAPDB-FFAP
Column length (m) 60.30.30.30.30.
Carrier gas HeH2H2  
Substrate      
Column diameter (mm) 0.250.250.250.320.32
Phase thickness (mum)  0.250.250.250.25
Program 45C(4min) => 30C/min => 60C (5min) => 3C/min => 220C (40min)60 0C (3 min) 2 K/min -> 220 0C 5 K/min -> 250 0C (15 min)60C(3min) => 2C/min => 220C => 5C/min => 250C (15min)40C(2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 240C (5min)40C(2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 240C (5min)
I 1627.1597.1594.1599.1600.
ReferenceZiegleder, 2001Boulanger and Crouzet, 2000Boulanger and Crouzet, 2000, 2Munk, Munch, et al., 2000Munk, Munch, et al., 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase FFAPFFAPFFAPFFAPFFAP
Column length (m) 30.30.30.30.30.
Carrier gas HeHeHeHe 
Substrate      
Column diameter (mm) 0.320.250.320.320.32
Phase thickness (mum) 0.250.250.250.250.25
Program 35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C (5min) => 10C/min => 230C (5min)35C(2min) => 40C/min => 60C => 6C/min => 180C 20C/min => 240C(10min)35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 230C (10min)35C (2min) => 40C/min => 60C => 4C/min => 230C (10min)35C (2min) => 40C/min => 60C (2min) => 6C/min => 230C (10min)
I 1612.1633.1622.1614.1621.
ReferenceTairu, Hofmann, et al., 2000Zimmermann and Schieberle, 2000Buettner and Schieberle, 1999Derail, Hofmann, et al., 1999Kubícková and Grosch, 1997
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillary
Active phase FFAPFFAP
Column length (m) 30.50.
Carrier gas HeHe
Substrate   
Column diameter (mm) 0.320.25
Phase thickness (mum) 0.250.25
Program 40C (2min) => 40C/min => 60C (2min) => 240C (10min)20C (5min) => 2C/min => 70C => 4C/min => 210C
I 1612.1640.
ReferenceMünch, Hofmann, et al., 1997Yasuhara, 1987
Comment MSDC-RI MSDC-RI

References

Go To: Top, Van Den Dool and Kratz RI, 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.

Bianchi, Careri, et al., 2007
Bianchi, F.; Careri, M.; Mangia, A.; Musci, M., Retention indices in the analysis of food aroma volatile compounds in temperature-programmed gas chromatography: Database creation and evaluation of precision and robustness, J. Sep. Sci., 2007, 39, 4, 563-572, https://doi.org/10.1002/jssc.200600393 . [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]

Frauendorfer and Schieberle, 2006
Frauendorfer, F.; Schieberle, P., Identification of the key aroma compounds in Cocoa powder based on molecular sensoly correlations, J. Agr. Food Chem., 2006, 54, 15, 5521-5529, https://doi.org/10.1021/jf060728k . [all data]

Natali N., Chinnici F., et al., 2006
Natali N.; Chinnici F.; Riponi C., Characterization of volatiles in extracts from oak chips obtained by accelerated solvent extraction (ASE), J. Agric. Food Chem., 2006, 54, 21, 8190-8198, https://doi.org/10.1021/jf0614387 . [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]

Selli, Canbas, et al., 2006
Selli, S.; Canbas, A.; Cabaroglu, T.; Erten, H.; Gunata, Z., Aroma components of cv. Muscat of Bornova wines and influence of skin contact treatment, Food Chem., 2006, 94, 3, 319-326, https://doi.org/10.1016/j.foodchem.2004.11.019 . [all data]

Selli, Canbas, et al., 2006, 2
Selli, S.; Canbas, A.; Cabaroglu, T.; Erten, H.; Lepoutre, J.-P.; Gunata, Z., Effect of skin contact on the free and bound aroma compounds of the white wine of Vitis vinifera L. cv Narince, Food Control, 2006, 17, 1, 75-82, https://doi.org/10.1016/j.foodcont.2004.09.005 . [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]

Ranau and Steinhart, 2005
Ranau, R.; Steinhart, H., Identification and evaluation of volatile odor-active pollutants from different odor emission sources in the food industry, Eur. Food Res. Technol., 2005, 220, 2, 226-231, https://doi.org/10.1007/s00217-004-1073-4 . [all data]

Schuh and Schieberle, 2005
Schuh, C.; Schieberle, P., Characterization of ( E, E, Z)-2,4,6-Nonatrienal as a character impact aroma compound of oat flakes, J. Agric. Food Chem., 2005, 53, 22, 8699-8705, https://doi.org/10.1021/jf051601i . [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]

Ferrari, Lablanquie, et al., 2004
Ferrari, G.; Lablanquie, O.; Cantagrel, R.; Ledauphin, J.; Payot, T.; Fournier, N.; Guichard, E., Determination of key odorant compounds in freshly distilled cognac using GC-O, GC-MS, and sensory evaluation, J. Agric. Food Chem., 2004, 52, 18, 5670-5676, https://doi.org/10.1021/jf049512d . [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]

Selli, Cabaroglu, et al., 2004
Selli, S.; Cabaroglu, T.; Canbas, A.; Erten, H.; Nurgel, C.; Lepoutre, J.P.; Gunata, Z., Volatile composition of red wine from cv. Kalecik Karasi grown in central Anatolia, Food Chem., 2004, 85, 2, 207-213, https://doi.org/10.1016/j.foodchem.2003.06.008 . [all data]

Verzera, Ziino, et al., 2004
Verzera, A.; Ziino, M.; Condurso, C.; Romeo, V.; Zappala, M., Solid-phase microextraction and gas chromatography-mass spectrometry for rapid characterisation of semi-hard cheeses, Anal. Bioanal. Chem., 2004, 380, 7-8, 930-936, https://doi.org/10.1007/s00216-004-2879-4 . [all data]

Boido, Lloret, et al., 2003
Boido, E.; Lloret, A.; Medina, K.; Fariña, L.; Carrau, f.; Versini, G.; Dellacassa, E., Aroma composition of Vitis vinifera Cv. Tannat: the typical red wine from Uruguay, J. Agric. Food Chem., 2003, 51, 18, 5408-5413, https://doi.org/10.1021/jf030087i . [all data]

Huynh-Ba, Matthey-Doret, et al., 2003
Huynh-Ba, T.; Matthey-Doret, W.; Fay, L.B.; Rhlid, R.B., Generation of thiols by biotransformation of cysteine-aldehyde conjugates with Baker's yeast, J. Agric. Food Chem., 2003, 51, 12, 3629-3635, https://doi.org/10.1021/jf026198j . [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]

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]

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]

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]

Nurgel, Erten, et al., 2002
Nurgel, C.; Erten, H.; Canbas, A.; Cabaroglu, T.; Selli, S., Contribution by Saccharomyces cerevisiae yeasts to fermentation and flavour compounds in wines from cv. Kalecik karasi grape, J. Inst. Brew., 2002, 108, 1, 68-72, https://doi.org/10.1002/j.2050-0416.2002.tb00126.x . [all data]

Rhlid, Fleury, et al., 2002
Rhlid, R.B.; Fleury, Y.; Blank, I.; Fay, L.B.; Welti, D.H.; Vera, F.A.; Juillerat, M.A., Generation of roasted notes based on 2-acetyl-2-thiazoline and its precursor, 2-(1-hydroxyethyl)-4,5-dihydrothiazole, by combined bio and thermal approaches, J. Agric. Food Chem., 2002, 50, 8, 2350-2355, https://doi.org/10.1021/jf011170d . [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]

Cantergiani, Brevard, et al., 2001
Cantergiani, E.; Brevard, H.; Krebs, Y.; Feria-Morales, A.; Amadò, R.; Yeretzian, C., Characterisation of the aroma of green Mexican coffee and identification of mouldy/earthy defect, Eur. Food Res. Technol., 2001, 212, 6, 648-657, https://doi.org/10.1007/s002170100305 . [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]

Rychlik and Bosset, 2001
Rychlik, M.; Bosset, J.O., Flavour and off-flavour compoundsof SwissGruy ere cheese. Evaluation of potent odorants, Int. Dairy J., 2001, 11, 11-12, 895-901, https://doi.org/10.1016/S0958-6946(01)00108-X . [all data]

Ziegleder, 2001
Ziegleder, G., Odorous compounds in paperboard as influenced by recycled material and storage, Packag. Technol. Sci., 2001, 14, 4, 131-136, https://doi.org/10.1002/pts.541 . [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]

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]

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]

Kubícková and Grosch, 1997
Kubícková, J.; Grosch, W., Evaluation of potent odorants of camembert cheese by dilution and concentration techniques, Int. Dairy J., 1997, 7, 1, 65-70, https://doi.org/10.1016/S0958-6946(96)00044-1 . [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]

Yasuhara, 1987
Yasuhara, A., Identification of Volatile Compounds in Poultry Manure by Gas Chromatography-Mass Spectrometry, J. Chromatogr., 1987, 387, 371-378, https://doi.org/10.1016/S0021-9673(01)94539-X . [all data]


Notes

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