Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

1-Butanol, 3-methyl-, acetate

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Van Den Dool and Kratz RI, polar column, custom temperature program

Go To: Top, References, Notes

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-10DB-WaxDB-Wax
Column length (m) 30.30.30.30.30.
Carrier gas  HeHeH2H2
Substrate      
Column diameter (mm) 0.250.250.250.320.32
Phase thickness (mum) 0.250.250.250.50.5
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)40C(5min) => 4C/min => 100C6C/min => 136C => 3C/min => 220C (10min)60C(3min) => 2C/min => 220C => 3C/min => 245C (20min)
I 1127.1125.1127.1137.1132.
ReferenceBianchi, Cantoni, et al., 2007Bianchi, Careri, et al., 2007Bianchi, Careri, et al., 2007Escudero, Campo, et al., 2007Selli, Canbas, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxSOLGel-WaxSupelcowax-10CP-Wax 52CBDB-Wax
Column length (m) 30.30.30.50.60.
Carrier gas H2HeHeHeHe
Substrate      
Column diameter (mm) 0.320.250.250.250.25
Phase thickness (mum) 0.50.250.250.20.25
Program 60C(3min) => 2C/min => 220C => 3C/min => 245C(20min)35C(5min) => 3C/min => 150C => 5C/min => 250C(10 min)35C(8min) => 3C/min => 134C => 20C/min => 250C(3.2min)33C(1.5min) => 1.5C/min => 60C(4min) => 2C/min => 100C => 8C/min => 220C(15min)35C(0.7min) => 20C/min => 70C => 4C/min => 240C
I 1132.1112.1118.1113.1113.
ReferenceSelli, Canbas, et al., 2006, 2Aubert, Baumann, et al., 2005Howard, Mike, et al., 2005Kaack, Christensen, et al., 2005Ferrari, Lablanquie, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase StabilwaxDB-WaxCarbowax 20MSupelcowax-10FFAP
Column length (m) 30.30.25.30.30.
Carrier gas HeH2H2 He
Substrate      
Column diameter (mm) 0.320.320.320.320.32
Phase thickness (mum) 1.0.50.250.30.25
Program 40C (2min) => 5C/min => 100C => 4C/min => 230C (10min)60C(3min) => 2C/min => 220C => 3C/min => 245C (20min)40C (8min) => 3C/min => 180C => 20C/min => 230C60C(8min) => 8C/min => 170C => 13C/min => 240C(20min)35C (2min) => 60C/min => 50C (2min) => 6C/min => 240C (10min)
I 1125.1132.1125.1129.1115.
ReferenceKlesk, Qian, et al., 2004Selli, Cabaroglu, et al., 2004Boido, Lloret, et al., 2003da Porto, Pizzale, et al., 2003Kirchhoff and Schieberle, 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-InnowaxDB-WaxDB-WaxFFAPFFAP
Column length (m) 30.30.30.25.50.
Carrier gas HeH2 HeHe
Substrate      
Column diameter (mm) 0.320.320.250.320.25
Phase thickness (mum) 0.50.50.250.50.25
Program 40C(4min) => 10C/min => 70C => 5C/min => 150C => 10C/min => 250C (10min)60C (3min) => 2C/min => 220C => 3C/min => 245C (20min)20C(30s) => fast => 60C => 4C/min => 220C (20min)35C (2min) => 40C/min => 60C => 6C/min => 230C (10min)20C (5min) => 2C/min => 70C => 4C/min => 210C
I 1132.1125.1114.1122.1128.
ReferenceKoprivnjak, Conte, et al., 2002Nurgel, Erten, et al., 2002Cantergiani, Brevard, et al., 2001Fickert and Schieberle, 1998Yasuhara, 1987
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type Capillary
Active phase Carbowax 20M
Column length (m) 150.
Carrier gas  
Substrate  
Column diameter (mm) 0.75
Phase thickness (mum)  
Program not specified
I 1128.
ReferenceWhitfield, Shea, et al., 1981
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, 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]

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]

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]

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]

Kaack, Christensen, et al., 2005
Kaack, K.; Christensen, L.P.; Hughes, M.; Eder, R., The relationship between sensory quality and volatile compounds in raw juice processed from elderberries ( Sambucus nigra L.), Eur. Food Res. Technol., 2005, 221, 3-4, 244-254, https://doi.org/10.1007/s00217-005-1141-4 . [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]

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]

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]

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]

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]

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]

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]

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]

Whitfield, Shea, et al., 1981
Whitfield, F.B.; Shea, S.R.; Gillen, K.J.; Shaw, K.J., Volatile components from the roots of Acacia pulchella R.Br. and their effect on Phytophthora cinnamomi rands, Aust. J. Bot., 1981, 29, 2, 195-208, https://doi.org/10.1071/BT9810195 . [all data]


Notes

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