1-Butanol, 3-methyl-

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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-10Supelcowax-10
Column length (m) 30.30.30.30.30.
Carrier gas  HeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.250.250.250.25
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)35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)
I 1221.1215.1222.1221.1221.
ReferenceBianchi, Cantoni, et al., 2007Bianchi, Careri, et al., 2007Bianchi, Careri, et al., 2007Bianchi, Careri, et al., 2007Bianchi, Careri, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxDB-WaxDB-WaxSOLGel-Wax
Column length (m) 30.30.30.30.30.
Carrier gas H2HeH2H2He
Substrate      
Column diameter (mm) 0.320.250.320.320.25
Phase thickness (μm) 0.50.50.50.50.25
Program 40C(5min) => 4C/min => 100C6C/min => 136C => 3C/min => 220C (10min)40C => 5C/min => 60C(30min) => 5C/min => 240C60C(3min) => 2C/min => 220C => 3C/min => 245C (20min)60C(3min) => 2C/min => 220C => 3C/min => 245C(20min)35C(5min) => 3C/min => 150C => 5C/min => 250C (10min)
I 1224.1225.1210.1210.1182.
ReferenceEscudero, Campo, et al., 2007Mehinagic, Royer, et al., 2006Selli, Canbas, et al., 2006Selli, Canbas, et al., 2006, 2Aubert, Baumann, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxFFAPSupelcowax-10CP-Wax 52CBStabilwax
Column length (m) 30.30.30.50.30.
Carrier gas H2HeHeHeHe
Substrate      
Column diameter (mm) 0.320.320.250.250.32
Phase thickness (μm) 0.50.250.250.21.
Program 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)33C(1.5min) => 1.5C/min => 60C(4min) => 2C/min => 100C => 8C/min => 220C(15min)40C(2min) => 5C/min => 100C => 4C/min => 230C (10min)
I 1225.1204.1206.1191.1218.
ReferenceCampo, Ferreira, et al., 2005Fritsch and Schieberle, 2005Howard, Mike, et al., 2005Kaack, Christensen, et al., 2005Wang, Finn, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase StabilwaxDB-WaxDB-WaxCP-Wax 52CBCarbowax 20M
Column length (m) 30.60.30.60.25.
Carrier gas HeHeH2HeH2
Substrate      
Column diameter (mm) 0.320.250.320.250.32
Phase thickness (μm) 1.0.250.50.250.25
Program 40C(2min) => 5C/min => 100C => 4C/min => 230C (10min)35C(0.7min) => 20C/min => 70C => 4C/min => 240C60C(3min) => 2C/min => 220C => 3C/min => 245C (20min)40C => 5C/min => 60C => 2.5C/min => 155C40C (8min) => 3C/min => 180C => 20C/min => 230C
I 1237.1193.1210.1198.1221.
ReferenceWang, Finn, et al., 2005Ferrari, Lablanquie, et al., 2004Selli, Cabaroglu, et al., 2004Alasalvar, Shahidi, et al., 2003Boido, Lloret, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-FFAPDB-WaxDB-WaxSupelcowax-10Supelcowax-10
Column length (m) 30.30.30.30.30.
Carrier gas  HeHe  
Substrate      
Column diameter (mm) 0.320.250.320.320.32
Phase thickness (μm) 0.250.50.50.30.3
Program 35C(2min) => 6C/min => 180C => 10C/min => 240C (10min)40C(2min) => 2C/min => 100C => 10C/min => 230C (5min)50C => 6C/min => 70C => 4C/min => 150C => 10C/min => 250C60C(8min) => 8C/min => 170C => 13C/min => 240C(20min)60C(8min) => 8C/min => 170C => 13C/min => 240C(20min)
I 1204.1221.1250.1211.1211.
ReferenceHuynh-Ba, Matthey-Doret, et al., 2003Klesk and Qian, 2003Pennarun, Prost, et al., 2003da Porto, Pizzale, et al., 2003da Porto, Pizzale, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase FFAPDB-WaxFFAPFFAPDB-Wax
Column length (m) 30.30.30.30.30.
Carrier gas HeH2  H2
Substrate      
Column diameter (mm) 0.320.320.320.320.25
Phase thickness (μm) 0.250.50.250.250.25
Program 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)50C (2min) => 6C/min => 180C => 10C/min => 240C(10min)60C (3min) => 2C/min => 220C => 5C/min => 250C (15min)
I 1200.1209.1203.1201.1213.
ReferenceKirchhoff and Schieberle, 2002Nurgel, Erten, et al., 2002Rhlid, Fleury, et al., 2002Rhlid, Fleury, et al., 2002Boulanger and Crouzet, 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxFFAPInnowaxDB-Wax
Column length (m) 30.30.30.60.30.
Carrier gas H2 HeHe 
Substrate      
Column diameter (mm) 0.250.250.320.220.25
Phase thickness (μm) 0.250.250.250.250.25
Program 60C (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 (1min) => 3C/min => 170C => 4C/min => 200C (20min)30C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)
I 1212.1200.1200.1214.1237.
ReferenceBoulanger and Crouzet, 2001Cantergiani, Brevard, et al., 2001Kirchhoff and Schieberle, 2001Larráyoz, Addis, et al., 2001Radovic, Careri, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxFFAPDB-WaxSupelcowax-10
Column length (m) 30.30.30.50.60.
Carrier gas H2H2HeHeHe
Substrate      
Column diameter (mm) 0.250.250.320.320.25
Phase thickness (μm) 0.250.250.25 0.25
Program 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)35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 230C (10min)50C => 2.5C/min => 150C => 1.5C/min => 210C20C(0.5min) => 60C => 4C/min => 250C
I 1210.1215.1211.1229.61199.
ReferenceBoulanger and Crouzet, 2000Boulanger and Crouzet, 2000, 2Buettner and Schieberle, 1999Yang, Chyau, et al., 1998Sing, Smadja, et al., 1992
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillary
Active phase FFAPCarbowax 20M
Column length (m) 50.150.
Carrier gas He 
Substrate   
Column diameter (mm) 0.250.75
Phase thickness (μm) 0.25 
Program 20C (5min) => 2C/min => 70C => 4C/min => 210Cnot specified
I 1197.1210.
ReferenceYasuhara, 1987Whitfield, Shea, et al., 1981
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]

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Escudero, Campo, et al., 2007
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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
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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
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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]

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]

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]

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]

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]

Boido, Lloret, et al., 2003
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Huynh-Ba, Matthey-Doret, et al., 2003
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Klesk and Qian, 2003
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]

Pennarun, Prost, et al., 2003
Pennarun, A.-L.; Prost, C.; Haure, J.; Demaimay, M., Comparison of two microalgal diets. 2. Influence on odorant composition and organoleptic qualities of raw oysters (Crassostrea gigas), J. Agric. Food Chem., 2003, 51, 7, 2011-2018, https://doi.org/10.1021/jf020549c . [all data]

da Porto, Pizzale, et al., 2003
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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]

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Rhlid, Fleury, et al., 2002
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Boulanger and Crouzet, 2001
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Boulanger and Crouzet, 2000
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Boulanger and Crouzet, 2000, 2
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Whitfield, Shea, et al., 1981
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Notes

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