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Butanoic acid, 3-methyl-

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

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 DB-WaxInnowaxDB-FFAPDB-FFAPFFAP
Column length (m) 30.30.30.30.30.
Carrier gas HeH2HeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (mum) 0.250.250.50.50.25
Tstart (C) 50.45.35.35.35.
Tend (C) 180.210.225.225.225.
Heat rate (K/min) 3.53.54.4.10.
Initial hold (min) 2.5.5.5.5.
Final hold (min) 25.20.30.30.25.
I 1680.1686.1667.1666.1645.
ReferenceBotelho, Caldeira, et al., 2007Botelho, Caldeira, et al., 2007Jarunrattanasri, Theerakulkait, et al., 2007Jarunrattanasri, Theerakulkait, et al., 2007Lozano P.R., Miracle E.R., et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxHP-InnowaxDB-FFAPFFAPFFAP
Column length (m) 30.60.30.30.30.
Carrier gas HeHeHeHe 
Substrate      
Column diameter (mm) 0.320.250.320.320.32
Phase thickness (mum) 0.50.250.24 0.25
Tstart (C) 40.50.40.40.40.
Tend (C) 240.220.240.240.240.
Heat rate (K/min) 7.4.6.8.6.
Initial hold (min)  4.2.2.2.
Final hold (min) 5.10.10.5.10.
I 1679.1644.1657.1660.1648.
ReferenceMahattanatawee K., Perez-Cacho P.R., et al., 2007Quijano, Linares, et al., 2007Scheidig, Czerny, et al., 2007Schlutt B., Moran N., et al., 2007Steinhaus and Schieberle, 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase InnowaxDB-WaxDB-WaxDB-WaxLM-120
Column length (m) 60.30.30.30.50.
Carrier gas HeHeHe  
Substrate      
Column diameter (mm) 0.250.320.250.320.25
Phase thickness (mum) 0.250.50.250.50.5
Tstart (C) 40.40.50.40.50.
Tend (C) 230.240.220.200.240.
Heat rate (K/min) 4.5.4.5.3.
Initial hold (min) 4. 4.3. 
Final hold (min) 20.10.20.8.30.
I 1686.1687.1647.1684.1679.
ReferenceLee, Lee, et al., 2006Lopez-Galilea I., Fournier N., et al., 2006Osorio, Alarcon, et al., 2006Petka, Ferreira, et al., 2006Pinto, Guedes, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-FFAPOV-351Supelcowax-10DB-FFAPStabilwax
Column length (m) 30.50.60.30.30.
Carrier gas H2He N2N2
Substrate      
Column diameter (mm) 0.250.320.250.250.32
Phase thickness (mum) 0.250.20.250.251.
Tstart (C) 30.60.35.40.40.
Tend (C) 230.220.195.230.230.
Heat rate (K/min) 3.5.6.5.4.
Initial hold (min) 2. 5.2.2.
Final hold (min) 4. 60.6.10.
I 1664.1638.1621.1651.1691.
ReferenceSchwambach and Peterson, 2006Bonvehí, 2005Chung, Fung, et al., 2005Colahan-Sederstrom and Peterson, 2005Fang and Qian, 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxCarbowax 20MDB-WaxDB-WaxZB-Wax
Column length (m) 60.60.30.30.30.
Carrier gas HeHeH2H2He
Substrate      
Column diameter (mm) 0.320.250.320.320.32
Phase thickness (mum) 1.0.250.250.250.25
Tstart (C) 45.45.40.40.40.
Tend (C) 250.250.250.250.250.
Heat rate (K/min) 5.2.5.5.5.
Initial hold (min) 1.0.172.2.2.
Final hold (min) 12. 5.5.5.
I 1694.1645.1676.1678.1682.
ReferenceMalliaa, Fernandez-Garcia, et al., 2005Verzera, Campisi, et al., 2005Wu, Zorn, et al., 2005Wu, Zorn, et al., 2005Wu, Zorn, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase ZB-WaxZB-WaxDB-WaxDB-WaxDB-Wax
Column length (m) 30.30.30.30.60.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.320.250.250.250.25
Phase thickness (mum) 0.250.150.50.250.25
Tstart (C) 40.35.40.40.40.
Tend (C) 250.220.230.240.210.
Heat rate (K/min) 5.1.85.6.2.
Initial hold (min) 2.10.2.10. 
Final hold (min) 5.10.10.25.40.
I 1685.1675.1682.1655.1647.
ReferenceWu, Zorn, et al., 2005Ledauphin, Saint-Clair, et al., 2004Mahajan, Goddik, et al., 2004Varming, Petersen, et al., 2004Chyau, Ko, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-FFAPDB-FFAPDB-FFAPSupelcowax-10DB-FFAP
Column length (m) 30.30.30.30.15.
Carrier gas He  He 
Substrate      
Column diameter (mm) 0.250.250.250.250.32
Phase thickness (mum) 0.250.250.250.250.25
Tstart (C) 35.35.35.50.30.
Tend (C) 200.200.200.230.225.
Heat rate (K/min) 10.10.10.3.10.
Initial hold (min) 5.5.5. 2.
Final hold (min) 30.30.30.30.20.
I 1660.1661.1649.1674.1653.
ReferenceKaragül-Yüceer, Vlahovich, et al., 2003Karagül-Yüceer, Cadwallader, et al., 2002Karagül-Yüceer, Cadwallader, et al., 2002Moreira, Trugo, et al., 2002Zhou, Wintersteen, et al., 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase AT-WaxCP-Wax 52CBDB-FFAPDB-WaxDB-Wax
Column length (m) 60.60.30.30.30.
Carrier gas HeHeH2H2H2
Substrate      
Column diameter (mm) 0.320.250.320.320.32
Phase thickness (mum) 0.250.250.251.1.
Tstart (C) 65.45.40.40.40.
Tend (C) 250.250.240.210.210.
Heat rate (K/min) 2.2.5.3.3.
Initial hold (min) 10.0.172.  
Final hold (min) 60.    
I 1642.1645.1667.1677.1680.
ReferencePino, Marbot, et al., 2001Verzera, Campisi, et al., 2001Charles, Martin, et al., 2000Moio, Piombino, et al., 2000Moio, Piombino, et al., 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase FFAPDB-WaxDB-WaxDB-WaxDB-Wax
Column length (m) 60.60.30.30.30.
Carrier gas   H2H2H2
Substrate      
Column diameter (mm) 0.250.250.320.320.32
Phase thickness (mum) 0.50.251.1.1.
Tstart (C) 50.40.40.40.40.
Tend (C) 230.200.210.210.210.
Heat rate (K/min) 5.3.3.3.3.
Initial hold (min) 3.5.   
Final hold (min) 15.60.   
I 1687.1667.1677.1680.1677.
ReferenceStephan and Steinhart, 1999Cha, Kim, et al., 1998Moio and Addeo, 1998Moio and Addeo, 1998Moio and Addeo, 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-FFAPDB-FFAPDB-WaxDB-WaxDB-Wax
Column length (m) 30.30.30.60.60.
Carrier gas H2H2HeHeHe
Substrate      
Column diameter (mm) 0.320.320.250.530.53
Phase thickness (mum)   0.251.1.
Tstart (C) 40.40.20.20.20.
Tend (C) 220.220.200.200.200.
Heat rate (K/min) 3.3.4.4.4.
Initial hold (min)   5.5.5.
Final hold (min)   10.10.10.
I 1663.1664.1667.1684.1688.
ReferenceGuillard, le Quere, et al., 1997Guillard, le Quere, et al., 1997Ott, Fay, et al., 1997Ott, Fay, et al., 1997Ott, Fay, et al., 1997
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxDB-WaxSupelcowax-10DB-Wax
Column length (m) 60.60.60.60.30.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.530.250.250.250.25
Phase thickness (mum) 1.0.250.250.25 
Tstart (C) 20.50.50.60.40.
Tend (C) 200.230.230.230.200.
Heat rate (K/min) 4.3.3.5.2.
Initial hold (min) 5.  5.10.
Final hold (min) 10.  20. 
I 1682.1670.1673.1715.1665.
ReferenceOtt, Fay, et al., 1997Shimoda, Peralta, et al., 1996Shimoda, Wu, et al., 1996Granicher, Christen, et al., 1995Umano, Hagi, et al., 1992
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillary
Active phase DB-WaxCP-Wax 58CBCarbowax 20M
Column length (m) 30.30.30.
Carrier gas HeHeHe
Substrate    
Column diameter (mm) 0.250.250.25
Phase thickness (mum) 0.250.220.25
Tstart (C) 50.40.40.
Tend (C) 240.220.240.
Heat rate (K/min) 4.3.4.
Initial hold (min) 3. 3.
Final hold (min)    
I 1649.1645.1643.
ReferenceKrammer, Winterhalter, et al., 1991Pabst, Barron, 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.

Botelho, Caldeira, et al., 2007
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Lozano P.R., Miracle E.R., et al., 2007
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Mahattanatawee K., Perez-Cacho P.R., et al., 2007
Mahattanatawee K.; Perez-Cacho P.R.; Davenport T.; Rouseff R., Comparison of three lychee cultivar odor profiles using gas chromatography-olfactometry and gas chromatography-sulfur detection, J. Agric. Food Chem., 2007, 55, 5, 1939-1944, https://doi.org/10.1021/jf062925p . [all data]

Quijano, Linares, et al., 2007
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Scheidig, Czerny, et al., 2007
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Schwambach and Peterson, 2006
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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]

Chung, Fung, et al., 2005
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Colahan-Sederstrom and Peterson, 2005
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Malliaa, Fernandez-Garcia, et al., 2005
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Wu, Zorn, et al., 2005
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Mahajan, Goddik, et al., 2004
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Varming, Petersen, et al., 2004
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Chyau, Ko, et al., 2003
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Zhou, Wintersteen, et al., 2002
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Pino, Marbot, et al., 2001
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Ott, Fay, et al., 1997
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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]

Shimoda, Wu, et al., 1996
Shimoda, M.; Wu, Y.; Osajima, Y., Aroma compounds from aqueous solution of Haze (Rhus succedanea) honey determined by adsorptive column chromatography, J. Agric. Food Chem., 1996, 44, 12, 3913-3918, https://doi.org/10.1021/jf9601168 . [all data]

Granicher, Christen, et al., 1995
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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]

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]

Pabst, Barron, et al., 1991
Pabst, A.; Barron, D.; Etiévant, P.; Schreier, P., Studies on the enzymatic hydrolysis of bound aroma constituents from raspberry fruit pulp, J. Agric. Food Chem., 1991, 39, 1, 173-175, https://doi.org/10.1021/jf00001a034 . [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