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Butanoic acid, ethyl ester

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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-10Supelcowax-10Supelcowax-10Supelcowax-10DB-Wax
Column length (m) 30.30.30.30.30.
Carrier gas  HeHeHeH2
Substrate      
Column diameter (mm) 0.250.250.250.250.32
Phase thickness (mum) 0.250.250.250.250.5
Program 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 220C(1min)35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)40C(5min) => 4C/min => 100C6C/min => 136C => 3C/min => 220C (10min)
I 1040.1040.1046.1040.1055.
ReferenceBianchi, Cantoni, et al., 2007Bianchi, Careri, et al., 2007Bianchi, Careri, et al., 2007Bianchi, Careri, et al., 2007Escudero, Campo, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase CP-Wax 52CBDB-WaxDB-WaxDB-WaxSOLGel-Wax
Column length (m) 60.30.30.30.30.
Carrier gas HeHeHeH2He
Substrate      
Column diameter (mm) 0.250.250.250.320.25
Phase thickness (mum) 0.250.50.50.50.25
Program 45C(5min) => 10C/min => 80C => 2C/min => 240C40C => 5C/min => 60C(30min) => 5C/min => 240C40C => 5C/min => 60C(30min) => 5C/min => 240C60C(3min) => 2C/min => 220C => 3C/min => 245C (20min)35C(5min) => 3C/min => 150C => 5C/min => 250C (10min)
I 1034.1034.1032.1044.1028.
ReferenceRomeo, Ziino, et al., 2007Mehinagic, Royer, et al., 2006Mehinagic, Royer, et al., 2006Selli, Canbas, et al., 2006Aubert, Baumann, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SOLGel-WaxDB-WaxFFAPSupelcowax-10Stabilwax
Column length (m) 30.30.30.30.30.
Carrier gas HeH2HeHeHe
Substrate      
Column diameter (mm) 0.250.320.320.250.32
Phase thickness (mum) 0.250.50.250.251.
Program 35C(5min) => 3C/min => 150C => 5C/min => 250C(10 min)40C(5min) => 4C/min => 100C => 6C/min => 200C35C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 20C/min => 230C(10min)35C(8min) => 3C/min => 134C => 20C/min => 250C(3.2min)40C(2min) => 5C/min => 100C => 4C/min => 230C (10min)
I 1028.1056.1021.1034.1042.
ReferenceAubert, Baumann, et al., 2005Campo, Ferreira, et al., 2005Fritsch and Schieberle, 2005Howard, Mike, et al., 2005Wang, Finn, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase StabilwaxDB-WaxStabilwaxCP-Wax 52CBStabilwax
Column length (m) 30.60.30.60.30.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.320.250.320.250.32
Phase thickness (mum) 1.0.251.0.251.
Program 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)45C(5min) => 10C/min => 80C => 2C/min => 240C40C(2min) => 5C/min => 100C => 4C/min => 230C(10min)
I 1056.1022.1047.1037.1038.
ReferenceWang, Finn, et al., 2005Ferrari, Lablanquie, et al., 2004Klesk, Qian, et al., 2004Verzera, Ziino, et al., 2004Klesk and Qian, 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxSupelcowax-10FFAPDB-WaxInnowax
Column length (m) 30.30.25.30.60.
Carrier gas He HeH2He
Substrate      
Column diameter (mm) 0.250.320.320.250.22
Phase thickness (mum) 0.50.30.30.250.25
Program 40C(2min) => 2C/min => 100C => 10C/min => 230C (5min)60C(8min) => 8C/min => 170C => 13C/min => 240C(20min)35C(2min) => 5C/min => 170C => 20C/min => 240C (10min)60C (3min) => 2C/min => 220C => 5C/min => 250C (15min)35C (1min) => 3C/min => 170C => 4C/min => 200C (20min)
I 1041.1041.1025.1043.1044.
ReferenceKlesk and Qian, 2003, 2da Porto, Pizzale, et al., 2003Fuhrmann and Grosch, 2002Boulanger and Crouzet, 2001Larráyoz, Addis, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-FFAPDB-FFAPDB-FFAPFFAPHP-Innowax
Column length (m) 30.30.30.30.60.
Carrier gas    HeHe
Substrate      
Column diameter (mm) 0.320.320.320.320.25
Phase thickness (mum) 0.250.250.250.250.25
Program 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)40C(2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 240C (5min)35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 230C (10min)32C(1.5min) => 3C/min => 40C (10min) => 3C/min => 200C (10min)
I 1041.1037.1035.1028.1048.
ReferenceMunk, Johansen, et al., 2001Munk, Munch, et al., 2000Munk, Munch, et al., 2000Buettner and Schieberle, 1999Iversen, Jakobsen, et al., 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillary
Active phase Supelcowax-10FFAP
Column length (m) 60.50.
Carrier gas HeHe
Substrate   
Column diameter (mm) 0.250.25
Phase thickness (mum) 0.250.25
Program 40C => (6C/min) => 80C(6min) => (15C/min) => 200C(10min)20C (5min) => 2C/min => 70C => 4C/min => 210C
I 1038.1021.
ReferenceCadwallader and Xu, 1994Yasuhara, 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, Cantoni, et al., 2007
Bianchi, F.; Cantoni, C.; Careri, M.; Chiesa, L.; Musci, M.; Pinna, A., Characterization of the aromatic profile for the authentication and differentiation of typical Italian dry-sausages, Talanta, 2007, 72, 4, 1552-1563, https://doi.org/10.1016/j.talanta.2007.02.019 . [all data]

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]

Mehinagic, Royer, et al., 2006
Mehinagic, E.; Royer, G.; Symoneaux, R.; Jourjon, F.; Prost, C., Characterization of Odor-Active Volatiles in Apples: Influence of Cultivars and Maturity Stage, J. Agric. Food Chem., 2006, 54, 7, 2678-2687, https://doi.org/10.1021/jf052288n . [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]

Aubert, Baumann, et al., 2005
Aubert, C.; Baumann, S.; Arguel, H., Optimization of the Analysis of Flavor Volatile Compounds by Liquid-Liquid Microextraction (LLME). Application to the Aroma Analysis of Melons, Peaches, Grapes, Strawberries, and Tomatoes, J. Agric. Food Chem., 2005, 53, 23, 8881-8895, https://doi.org/10.1021/jf0510541 . [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]

Howard, Mike, et al., 2005
Howard, K.L.; Mike, J.H.; Riesen, R., Validation of a Solid-Phase Microextraction Method for Headspace Analysis of Wine Aroma Components, Am. J. Enol. Vitic, 2005, 56, 1, 37-45. [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]

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]

Klesk and Qian, 2003, 2
Klesk, K.; Qian, M., Preliminary aroma comparison of Marion (Rubus spp. hyb) and Evergreen (R. laciniatus L.) blackberries by dynamic headspace/OSME technique, J. Food Sci., 2003, 68, 2, 697-700, https://doi.org/10.1111/j.1365-2621.2003.tb05734.x . [all data]

da Porto, Pizzale, et al., 2003
da Porto, C.; Pizzale, L.; Bravin, M.; Conte, L.S., Analyses of orange spirit flavour by direct-injection gas chromatography-mass spectrometry and headspace solid-phase microextraction/GC-MC, Flavour Fragr. J., 2003, 18, 1, 66-72, https://doi.org/10.1002/ffj.1164 . [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]

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]

Larráyoz, Addis, et al., 2001
Larráyoz, P.; Addis, M.; Gauch, R.; Bosset, J.O., Comparison of dynamic headspace and simultaneous distillation extraction techniques used for the analysis of the volatile components in three European PDO ewes milk cheeses, Int. Dairy J., 2001, 11, 11-12, 911-926, https://doi.org/10.1016/S0958-6946(01)00144-3 . [all data]

Munk, Johansen, et al., 2001
Munk, S.; Johansen, C.; Stahnke, L.H.; Adler-Nissen, J., Microbial survival and odor in laundry, Journal of Surfactants and Detergents, 2001, 4, 4, 385-394, https://doi.org/10.1007/s11743-001-0192-2 . [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]

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]

Iversen, Jakobsen, et al., 1998
Iversen, C.K.; Jakobsen, H.B.; Olsen, C.-E., Aroma changes during black currant (Ribes nigrum L.) nectar processing, J. Agric. Food Chem., 1998, 46, 3, 1132-1136, https://doi.org/10.1021/jf970513y . [all data]

Cadwallader and Xu, 1994
Cadwallader, K.R.; Xu, Y., Analysis of volatile components in fresh grapefruit juice by purge and trap/gas chromatography, J. Agric. Food Chem., 1994, 42, 3, 782-784, https://doi.org/10.1021/jf00039a036 . [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