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Butanoic acid, 2-methyl-

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Van Den Dool and Kratz RI, polar column, temperature ramp

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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 DB-FFAPFFAPFFAPDB-WaxLM-120
Column length (m) 30.30.30.30.50.
Carrier gas HeHe He 
Substrate      
Column diameter (mm) 0.320.320.320.320.25
Phase thickness (mum) 0.24 0.250.50.5
Tstart (C) 40.40.40.40.50.
Tend (C) 240.240.240.240.240.
Heat rate (K/min) 6.8.6.5.3.
Initial hold (min) 2.2.2.  
Final hold (min) 10.5.10.10.30.
I 1657.1660.1648.1687.1693.
ReferenceScheidig, Czerny, et al., 2007Schlutt B., Moran N., et al., 2007Steinhaus and Schieberle, 2007Lopez-Galilea I., Fournier N., et al., 2006Pinto, Guedes, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase OV-351StabilwaxZB-WaxDB-Wax EtrDB-Wax
Column length (m) 50.30.30.30.30.
Carrier gas HeN2HeHeHe
Substrate      
Column diameter (mm) 0.320.320.250.250.25
Phase thickness (mum) 0.21.0.150.250.25
Tstart (C) 60.40.35.40.40.
Tend (C) 220.230.220.245.240.
Heat rate (K/min) 5.4.1.83.6.
Initial hold (min)  2.10.3.10.
Final hold (min)  10.10.20.25.
I 1658.1682.1675.1657.1655.
ReferenceBonvehí, 2005Fang and Qian, 2005Ledauphin, Saint-Clair, et al., 2004Ménager, Jost, et al., 2004Varming, Petersen, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase OV-351DB-FFAPDB-WaxDB-FFAPDB-FFAP
Column length (m) 50.30.30.30.30.
Carrier gas HeHe   
Substrate      
Column diameter (mm) 0.320.250.320.250.25
Phase thickness (mum) 0.20.250.50.250.25
Tstart (C) 60.35.40.35.35.
Tend (C) 220.200.240.200.200.
Heat rate (K/min) 5.10.7.10.10.
Initial hold (min)  5. 5.5.
Final hold (min)  30.5.30.30.
I 1639.1660.1667.1661.1649.
ReferenceBonvehi and Coll, 2003Karagül-Yüceer, Vlahovich, et al., 2003Valim, Rouseff, et al., 2003Karagül-Yüceer, Cadwallader, et al., 2002Karagül-Yüceer, Cadwallader, et al., 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxFFAPDB-WaxDB-WaxDB-Wax
Column length (m) 30.60.60.30.30.
Carrier gas He HeHeHe
Substrate      
Column diameter (mm) 0.320.250.250.250.25
Phase thickness (mum) 0.50.50.25  
Tstart (C) 35.50.50.40.40.
Tend (C) 250.230.230.200.200.
Heat rate (K/min) 1.15.3.2.2.
Initial hold (min)  3. 5.10.
Final hold (min) 10.15.   
I 1680.61687.1652.1668.1666.
ReferenceSiegmund, Derler, et al., 2001Stephan and Steinhart, 1999Shimoda, Peralta, et al., 1996Iwaoka, Hagi, et al., 1994Umano, Hagi, et al., 1992
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxCarbowax 20M
Column length (m) 30.30.30.
Carrier gas HeHeHe
Substrate    
Column diameter (mm) 0.250.250.25
Phase thickness (mum) 0.250.250.25
Tstart (C) 50.50.40.
Tend (C) 220.240.240.
Heat rate (K/min) 4.4.4.
Initial hold (min) 3.3.3.
Final hold (min) 20.  
I 1641.1649.1643.
ReferenceHumpf and Schreier, 1991Krammer, Winterhalter, et al., 1991Schwab, Mahr, et al., 1989
Comment MSDC-RI MSDC-RI MSDC-RI

References

Go To: Top, Van Den Dool and Kratz RI, polar column, temperature ramp, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Scheidig, Czerny, et al., 2007
Scheidig, C.; Czerny, M.; Schieberle, P., Changes in Key Odorants of Raw Coffee Beans during Storage under Defined Conditions, J. Agric. Food Chem., 2007, 55, 14, 5768-5775, https://doi.org/10.1021/jf070488o . [all data]

Schlutt B., Moran N., et al., 2007
Schlutt B.; Moran N.; Schieberle P.; Hofmann T., Sensory-directed identification of creaminess-enhancing volatiles and semivolatiles in full-fat cream, J. Agric. Food Chem., 2007, 55, 23, 9634-9645, https://doi.org/10.1021/jf0721545 . [all data]

Steinhaus and Schieberle, 2007
Steinhaus, P.; Schieberle, P., Characterization of the key aroma compounds in soy sauce using approaches of molecular sensory science, J. Agric. Food Chem., 2007, 55, 15, 6262-6269, https://doi.org/10.1021/jf0709092 . [all data]

Lopez-Galilea I., Fournier N., et al., 2006
Lopez-Galilea I.; Fournier N.; Cid C.; Guichard E., Changes in headspace volatile concentrations of coffee brews caused by the roasting process and the brewing procedure, J. Agric. Food Chem., 2006, 54, 22, 8560-8566, https://doi.org/10.1021/jf061178t . [all data]

Pinto, Guedes, et al., 2006
Pinto, A.B.; Guedes, C.M.; Moreira, R.F.A.; de Maria, C.A.B., Volatile constituents from headspace and aqueous solution of genipap (Genipa americana) fruit isolated by the solid-phase extraction method, Flavour Fragr. J., 2006, 21, 3, 488-491, https://doi.org/10.1002/ffj.1623 . [all data]

Bonvehí, 2005
Bonvehí, J.S., Investigation of aromatic compounds in roasted cocoa powder, Eur. Food Res. Technol., 2005, 221, 1-2, 19-29, https://doi.org/10.1007/s00217-005-1147-y . [all data]

Fang and Qian, 2005
Fang, Y.; Qian, M., Aroma compounds in Oregon Pinot Noir wine determined by aroma extract dilution analysis (AEDA), Flavour Fragr. J., 2005, 20, 1, 22-29, https://doi.org/10.1002/ffj.1551 . [all data]

Ledauphin, Saint-Clair, et al., 2004
Ledauphin, J.; Saint-Clair, J.-F.; Lablanquie, O.; Guichard, H.; Founier, N.; Guichard, E.; Barillier, D., Identification of trace volatile compounds in freshly distilled calvados and cognac using preparative separations coupled with gas chromatography-mass spectrometry, J. Agric. Food Chem., 2004, 52, 16, 5124-5134, https://doi.org/10.1021/jf040052y . [all data]

Ménager, Jost, et al., 2004
Ménager, I.; Jost, M.; Aubert, C., Changes in physicochemical characteristics and volatile constituents of strawberry (Cv. Cigaline) during maturation, J. Agric. Food Chem., 2004, 52, 5, 1248-1254, https://doi.org/10.1021/jf0350919 . [all data]

Varming, Petersen, et al., 2004
Varming, C.; Petersen, M.A.; Poll, L., Comparison of isolation methods for the determination of important aroma compounds in black currant (Ribes nigrum L.) juice, using nasal impact frequency profiling, J. Agric. Food Chem., 2004, 52, 6, 1647-1652, https://doi.org/10.1021/jf035133t . [all data]

Bonvehi and Coll, 2003
Bonvehi, J.S.; Coll, F.V., Flavour index and aroma profiles of fresh and processed honeys, J. Sci. Food Agric., 2003, 83, 4, 275-282, https://doi.org/10.1002/jsfa.1308 . [all data]

Karagül-Yüceer, Vlahovich, et al., 2003
Karagül-Yüceer, Y.; Vlahovich, K.N.; Drake, M.A.; Cadwallader, K.R., Characteristic aroma components of rennet casein, J. Agric. Food Chem., 2003, 51, 23, 6797-6801, https://doi.org/10.1021/jf0345806 . [all data]

Valim, Rouseff, et al., 2003
Valim, M.F.; Rouseff, R.L.; Lin, J., Gas chromatographic-olfactometric characterization of aroma compounds in two types of cashew apple nectar, J. Agric. Food Chem., 2003, 51, 4, 1010-1015, https://doi.org/10.1021/jf025738+ . [all data]

Karagül-Yüceer, Cadwallader, et al., 2002
Karagül-Yüceer, Y.; Cadwallader, K.R.; Drake, M.A., Volatile flavor components of stored nonfat dry milk, J. Agric. Food Chem., 2002, 50, 2, 305-312, https://doi.org/10.1021/jf010648a . [all data]

Siegmund, Derler, et al., 2001
Siegmund, B.; Derler, K.; Pfannhauser, W., Changes in the aroma of a strawberry drink during storage, J. Agric. Food Chem., 2001, 49, 7, 3244-3252, https://doi.org/10.1021/jf010116u . [all data]

Stephan and Steinhart, 1999
Stephan, A.; Steinhart, H., Identification of character impact odorants of different soybean lecithins, J. Agric. Food Chem., 1999, 47, 7, 2854-2859, https://doi.org/10.1021/jf981387g . [all data]

Shimoda, Peralta, et al., 1996
Shimoda, M.; Peralta, R.R.; Osajima, Y., Headspace gas analysis of fish sauce, J. Agric. Food Chem., 1996, 44, 11, 3601-3605, https://doi.org/10.1021/jf960345u . [all data]

Iwaoka, Hagi, et al., 1994
Iwaoka, W.; Hagi, Y.; Umano, K.; Shibamoto, T., Volatile chemicals identified in fresh and cooked breadfruit, J. Agric. Food Chem., 1994, 42, 4, 975-976, https://doi.org/10.1021/jf00040a026 . [all data]

Umano, Hagi, et al., 1992
Umano, K.; Hagi, Y.; Nakahara, K.; Shoji, A.; Shibamoto, T., Volatile constituents of green and ripened pineapple (Aanas comosus [L.] Merr.), J. Agric. Food Chem., 1992, 40, 4, 599-603, https://doi.org/10.1021/jf00016a014 . [all data]

Humpf and Schreier, 1991
Humpf, H.-U.; Schreier, P., Bound aroma compounds from the fruit and the leaves of blackberry (Rubus laciniata L.), J. Agric. Food Chem., 1991, 39, 10, 1830-1832, https://doi.org/10.1021/jf00010a028 . [all data]

Krammer, Winterhalter, et al., 1991
Krammer, G.; Winterhalter, P.; Schwab, M.; Schreier, P., Glycosidically bound aroma compounds in the fruits of Prunus species: Apricot (P. armeniaca, L.) peach (P. persica, L.) yellow plum (P. domestica, L. ssp. Syriaca), J. Agric. Food Chem., 1991, 39, 4, 778-781, https://doi.org/10.1021/jf00004a032 . [all data]

Schwab, Mahr, et al., 1989
Schwab, W.; Mahr, C.; Schreier, P., Studies on the enzymic hydrolysis of bound aroma components from Carica papaya fruit, J. Agric. Food Chem., 1989, 37, 4, 1009-1012, https://doi.org/10.1021/jf00088a042 . [all data]


Notes

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