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Acetic 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-WaxCP-Wax 52CBCP-Wax 52CBFFAP
Column length (m) 30.30.60.60.25.
Carrier gas HeH2HeHeHe
Substrate      
Column diameter (mm) 0.250.320.250.250.32
Phase thickness (mum) 0.250.50.250.250.2
Program 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)40C(5min) => 4C/min => 100C6C/min => 136C => 3C/min => 220C (10min)45C(5min) => 10C/min => 80C => 2C/min => 240C45C(5min) => 10C/min => 80C => 2C/min => 240C40C(1min) => 40C/min => 60C(1min) => 6C/min => 180C => 15C/min => 240C
I 1480.1460.1450.1463.1448.
ReferenceBianchi, Careri, et al., 2007Escudero, Campo, et al., 2007Romeo, Ziino, et al., 2007Condurso, Verzera, et al., 2006Frauendorfer and Schieberle, 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxStabilwaxDB-WaxFFAPFFAP
Column length (m) 30.30.30.30.60.
Carrier gas HeHeH2HeHe
Substrate      
Column diameter (mm) 0.250.250.320.320.25
Phase thickness (mum) 0.250.250.50.250.5
Program 60C => 5C/min => 200C => 6C/min => 250C(5min)40C => 3C/min => 100C => 5C/min => 240C(10min)40C(5min) => 4C/min => 100C => 6C/min => 200C35C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 20C/min => 230C(10min)50C(3min) => 3C/min => 100C => 10C/min => 220C(13.5min)
I 1446.1463.1461.1453.1478.
ReferenceGuillot, Peytavi, et al., 2006Natali N., Chinnici F., et al., 2006Campo, Ferreira, et al., 2005Fritsch and Schieberle, 2005Ranau, Kleeberg, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase FFAPFFAPDB-FFAPStabilwaxStabilwax
Column length (m) 60.60.30.30.30.
Carrier gas HeHe HeHe
Substrate      
Column diameter (mm) 0.250.250.320.320.32
Phase thickness (mum) 0.50.50.251.1.
Program 50C(3min) => 3C/min => 100C => 10C/min => 220C (13.5min)50C(3min) => 3C/min => 100C => 10C/min => 220C (13.5min)40C(2min) => 6C/min => 150C => 20C/min => 230C40C(2min) => 5C/min => 100C => 4C/min => 230C (10min)40C(2min) => 5C/min => 100C => 4C/min => 230C (10min)
I 1478.1478.1430.1486.1476.
ReferenceRanau and Steinhart, 2005Ranau and Steinhart, 2005Schuh and Schieberle, 2005Wang, Finn, et al., 2005Wang, Finn, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxStabilwaxCP-Wax 52CBCP-Wax 52CBDB-FFAP
Column length (m) 60.30.60.60.30.
Carrier gas HeHeHeHe 
Substrate      
Column diameter (mm) 0.250.320.250.250.32
Phase thickness (mum) 0.251.0.250.250.25
Program 35C(0.7min) => 20C/min => 70C => 4C/min => 240C40C (2min) => 5C/min => 100C => 4C/min => 230C (10min)45C(5min) => 10C/min => 80C => 2C/min => 240C40C => 5C/min => 60C => 2.5C/min => 155C35C(2min) => 6C/min => 180C => 10C/min => 240C (10min)
I 1445.1461.1461.1460.1425.
ReferenceFerrari, Lablanquie, et al., 2004Klesk, Qian, et al., 2004Verzera, Ziino, et al., 2004Alasalvar, Shahidi, et al., 2003Huynh-Ba, Matthey-Doret, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase StabilwaxFFAPFFAPFFAPFFAP
Column length (m) 30.30.25.30.30.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.320.320.320.250.32
Phase thickness (mum) 1.0.250.30.250.25
Program 40C(2min) => 5C/min => 100C => 4C/min => 230C(10min)40C (2min) => 40C/min => 60C (1min) => 6C/min => 230C (15min)35C(2min) => 5C/min => 170C => 20C/min => 240C (10min)40C(1min) => 40C/min => 50C(2min) => 6C/min => 240C35C (2min) => 60C/min => 50C (2min) => 6C/min => 240C (10min)
I 1467.1430.1447.1443.1444.
ReferenceKlesk and Qian, 2003Engel and Schieberle, 2002Fuhrmann and Grosch, 2002Jezussek, Juliano, et al., 2002Kirchhoff and Schieberle, 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-InnowaxDB-FFAPFFAPDB-WaxDB-FFAP
Column length (m) 30.30.30.30.30.
Carrier gas HeHeHeH2 
Substrate      
Column diameter (mm) 0.320.250.320.250.32
Phase thickness (mum) 0.50.250.250.250.25
Program 40C(4min) => 10C/min => 70C => 5C/min => 150C => 10C/min => 250C (10min)35 0C (2 min) 40 K/min -> 60 0C (2 min) 6 K/min -> 230 0C40C(2min) => 40C/min => 60C(2min) => 6C/min => 240C(10min)60C(3min) => 2C/min => 220C => 5C/min => 250C (15min)40C(2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 240C (5min)
I 1461.1453.1444.1413.1431.
ReferenceKoprivnjak, Conte, et al., 2002Zehentbauer and Reineccius, 2002Kirchhoff and Schieberle, 2001Boulanger and Crouzet, 2000Munk, Munch, et al., 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-FFAPFFAPFFAPFFAPFFAP
Column length (m) 30.30.30.30.25.
Carrier gas  HeHeHeHe
Substrate      
Column diameter (mm) 0.320.320.320.320.32
Phase thickness (mum) 0.250.250.250.250.5
Program 40C(2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 240C (5min)35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C (5min) => 10C/min => 230C (5min)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 => 6C/min => 230C (10min)
I 1428.1439.1450.1451.1420.
ReferenceMunk, Munch, et al., 2000Tairu, Hofmann, et al., 2000Buettner and Schieberle, 1999Derail, Hofmann, et al., 1999Fickert and Schieberle, 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase FFAPDB-WaxDB-WaxFFAPFFAP
Column length (m) 30.50.50.30.30.
Carrier gas HeHeHe He
Substrate      
Column diameter (mm) 0.320.320.320.320.32
Phase thickness (mum) 0.25  0.250.25
Program 35C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 10C/min => 230C(10 min)50C => 2.5C/min => 150C => 1.5C/min => 210C50C => 2.5C/min => 150C => 1.5C/min => 210C35C (2min) => 40C/min => 60C (2min) => 6C/min => 230C (10min)40C (2min) => 40C/min => 60C (2min) => 240C (10min)
I 1450.1486.61486.61451.1436.
ReferenceHinterholzer, Lemos, et al., 1998Yang, Chyau, et al., 1998Yang, Chyau, et al., 1998Kubícková and Grosch, 1997Münch, Hofmann, et al., 1997
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type Capillary
Active phase FFAP
Column length (m) 50.
Carrier gas He
Substrate  
Column diameter (mm) 0.25
Phase thickness (mum) 0.25
Program 20C (5min) => 2C/min => 70C => 4C/min => 210C
I 1462.
ReferenceYasuhara, 1987
Comment 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]

Romeo, Ziino, et al., 2007
Romeo, V.; Ziino, M.; Giuffrrida, D.; Condurso, C.; Verzera, A., Flavour profile of capers (Capparis spinosa L.) from the Eolian Archipelago by HS-SPME/GC?MS, Food Chem., 2007, 101, 3, 1272-1278, https://doi.org/10.1016/j.foodchem.2005.12.029 . [all data]

Condurso, Verzera, et al., 2006
Condurso, C.; Verzera, A.; Romeo, V.; Ziino, M.; Trozzi, A.; Ragusa, S., The leaf volatile constituents of Isatis tinctoria by solid-phase microextraction and gas chromatography/mass spectrometry, Planta Medica, 2006, 72, 10, 924-928, https://doi.org/10.1055/s-2006-946679 . [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]

Guillot, Peytavi, et al., 2006
Guillot, S.; Peytavi, L.; Bureau, S.; Boulanger, R.; Lepoutre, J.-P.; Crouzet, J.; Schorr-Galindo, S., Aroma characterization of various apricot varieties using headspace-solid phase microextraction combined with gas chromatography-mass spectrometry and gas chromatography-olfactometry, Food Chem., 2006, 96, 1, 147-155, https://doi.org/10.1016/j.foodchem.2005.04.016 . [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]

Campo, Ferreira, et al., 2005
Campo, E.; Ferreira, V.; Escudero, A.; Cacho, J., Prediction of the wine sensory properties related to grape variety from dynamic-headspace gas chromatography-olfactometry data, J. Agric. Food Chem., 2005, 53, 14, 5682-5690, https://doi.org/10.1021/jf047870a . [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, Kleeberg, et al., 2005
Ranau, R.; Kleeberg, K.K.; Schlegelmilch, M.; Streese, J.; Stegmann, R.; Steinhart, H., Analytical determination of the suitability of different processes for the treatment of odorous waste gas, Waste Management, 2005, 25, 9, 908-916, https://doi.org/10.1016/j.wasman.2005.07.004 . [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]

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]

Alasalvar, Shahidi, et al., 2003
Alasalvar, C.; Shahidi, F.; Cadwallader, K.R., Comparison of natural and roasted Turkish Tombul hazelnut (Corylus avellana L.) volatiles and flavor by DHA/GC/MS and descriptive sensory analysis, J. Agric. Food Chem., 2003, 51, 17, 5067-5072, https://doi.org/10.1021/jf0300846 . [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]

Engel and Schieberle, 2002
Engel, W.; Schieberle, P., Identification and quantitation of key aroma compounds formed in Maillard-type reactions of fructose with cysteamine or isothiaproline (1,3-thiazolidine-2-carboxylic acid), J. Agric. Food Chem., 2002, 50, 19, 5394-5399, https://doi.org/10.1021/jf0203186 . [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]

Koprivnjak, Conte, et al., 2002
Koprivnjak, O.; Conte, L.; Totis, N., Influence of olive fruit storage in bags on oil quality and composition of volatile compounds, Food Technol. Biotechnol., 2002, 40, 2, 129-134. [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]

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: 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]

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]

Fickert and Schieberle, 1998
Fickert, B.; Schieberle, P., Identification of the key odorants in barley malt (caramalt) using GC/MS techniques and odour dilution analyses, Nahrung, 1998, 42, 6, 371-375, https://doi.org/10.1002/(SICI)1521-3803(199812)42:06<371::AID-FOOD371>3.0.CO;2-V . [all data]

Hinterholzer, Lemos, et al., 1998
Hinterholzer, A.; Lemos, T.; Schieberle, P., Identification of the key odorants in raw French beans and changes during cooking, Z. Lebensm. Unters. Forsch. A, 1998, 207, 3, 219-222, https://doi.org/10.1007/s002170050322 . [all data]

Yang, Chyau, et al., 1998
Yang, M.-S.; Chyau, C.-C.; Horng, D.-T.; Yang, J.-S., Effects of Irradiation and Drying on Volatile Components of Fresh Shiitake edodes (Lentinus Sing), J. Sci. Food Agric., 1998, 76, 1, 72-76, https://doi.org/10.1002/(SICI)1097-0010(199801)76:1<72::AID-JSFA921>3.0.CO;2-0 . [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