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Heptanoic acid

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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-WaxLM-120DB-FFAPDB-WaxDB-Wax
Column length (m) 30.50.30.60.60.
Carrier gas He N2HeHe
Substrate      
Column diameter (mm) 0.250.250.250.320.32
Phase thickness (mum) 0.50.50.251.1.
Tstart (C) 40.50.40.45.45.
Tend (C) 250.240.230.250.250.
Heat rate (K/min) 4.3.5.5.5.
Initial hold (min) 5. 2.1.1.
Final hold (min) 15.30.6.12.12.
I 1960.1930.1946.1950.1967.
ReferencePozo-Bayon M.A., Ruiz-Rodriguez A., et al., 2007Pinto, Guedes, et al., 2006Colahan-Sederstrom and Peterson, 2005Malliaa, Fernandez-Garcia, et al., 2005Malliaa, Fernandez-Garcia, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Carbowax 20MDB-WaxDB-FFAPCP-Wax 52CBDB-FFAP
Column length (m) 60.30.30.60.30.
Carrier gas HeHeHeHeH2
Substrate      
Column diameter (mm) 0.250.250.250.250.32
Phase thickness (mum) 0.250.50.250.250.25
Tstart (C) 45.40.35.45.40.
Tend (C) 250.230.200.250.240.
Heat rate (K/min) 2.5.10.2.5.
Initial hold (min) 0.172.5.0.172.
Final hold (min)  10.30.  
I 1918.1971.1947.1918.1956.
ReferenceVerzera, Campisi, et al., 2005Mahajan, Goddik, et al., 2004Karagül-Yüceer, Vlahovich, et al., 2003Verzera, Campisi, et al., 2001Charles, Martin, et al., 2000
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxDB-WaxDB-WaxDB-Wax
Column length (m) 30.30.15.30.30.
Carrier gas H2H2HeH2H2
Substrate      
Column diameter (mm) 0.320.320.530.320.32
Phase thickness (mum) 1.1.1.1.1.
Tstart (C) 40.40.40.40.40.
Tend (C) 210.210.220.210.210.
Heat rate (K/min) 3.3.5.3.3.
Initial hold (min)   3.  
Final hold (min)   30.  
I 1965.1968.1997.1965.1966.
ReferenceMoio, Piombino, et al., 2000Moio, Piombino, et al., 2000Peng, 2000Moio and Addeo, 1998Moio and Addeo, 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-WaxDB-WaxPEG-20MDB-WaxDB-Wax
Column length (m) 30.30.60.60.60.
Carrier gas H2HeHeHe 
Substrate      
Column diameter (mm) 0.320.250.250.250.25
Phase thickness (mum) 1.0.250.250.250.25
Tstart (C) 40.20.50.50.50.
Tend (C) 210.200.230.230.230.
Heat rate (K/min) 3.4.2.2.2.
Initial hold (min)  5.   
Final hold (min)  10.60.60. 
I 1965.1954.1953.1953.1943.
ReferenceMoio and Addeo, 1998Ott, Fay, et al., 1997Shimoda, Nakada, et al., 1997Shimoda, Shiratsuchi, et al., 1996Shimoda, Shigematsu, et al., 1995
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryPackedCapillary
Active phase DB-WaxCarbowax 20MCarbowax 20M
Column length (m) 60.3.0550.
Carrier gas He He
Substrate  Supelcoport 
Column diameter (mm) 0.25 0.32
Phase thickness (mum) 0.25  
Tstart (C) 50.40.50.
Tend (C) 230.200.200.
Heat rate (K/min) 2.8.2.
Initial hold (min)  4.5.
Final hold (min) 60. 40.
I 1950.1916.1939.
ReferenceShiratsuchi, Shimoda, et al., 1994Peng, Yang, et al., 1991Chen, Kuo, et al., 1986
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.

Pozo-Bayon M.A., Ruiz-Rodriguez A., et al., 2007
Pozo-Bayon M.A.; Ruiz-Rodriguez A.; Pernin K.; Cayot N., Influence of eggs on the aroma composition of a sponge cake and on the aroma release in model studies on flavored sponge cakes, J. Agric. Food Chem., 2007, 55, 4, 1418-1426, https://doi.org/10.1021/jf062203y . [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]

Colahan-Sederstrom and Peterson, 2005
Colahan-Sederstrom, P.M.; Peterson, D.G., Inhibition of key aroma compound generated during ultrahigh-temperature processing of bovine milk via epicatechin addition, J. Agric. Food Chem., 2005, 53, 2, 398-402, https://doi.org/10.1021/jf0487248 . [all data]

Malliaa, Fernandez-Garcia, et al., 2005
Malliaa, S.; Fernandez-Garcia, E.; Bosset, J.O., Comparison of purge and trap and solid phase microextraction techniques for studying the volatile aroma compounds of three European PDO hard cheeses, Int. Dairy J., 2005, 15, 6-9, 741-758, https://doi.org/10.1016/j.idairyj.2004.11.007 . [all data]

Verzera, Campisi, et al., 2005
Verzera, A.; Campisi, S.; Zappalá, M., SUPELCO. Using SPME-GC-MS to characterize volatile components of honey as indicators of botanical origin, 2005, retrieved from http://www.sigmaaldrich.com/Brands/SupelcoHome/TheReporter.html. [all data]

Mahajan, Goddik, et al., 2004
Mahajan, S.S.; Goddik, L.; Qian, M.C., Aroma Compounds in Sweet Whey Powder, J. Dairy Sci., 2004, 87, 12, 4057-4063, https://doi.org/10.3168/jds.S0022-0302(04)73547-X . [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]

Verzera, Campisi, et al., 2001
Verzera, A.; Campisi, S.; Zappalá, M.; Bonaccorsi, I., SPME-GC-MS analysis of honey volatile components for the characterization of different floral origin, Am. Lab. Fairfield Conn., 2001, 33, 15, 18-21. [all data]

Charles, Martin, et al., 2000
Charles, M.; Martin, B.; Ginies, C.; Etievant, P.; Coste, G.; Guichard, E., Potent aroma compounds of two red wine vinegars, J. Agric. Food Chem., 2000, 48, 1, 70-77, https://doi.org/10.1021/jf9905424 . [all data]

Moio, Piombino, et al., 2000
Moio, L.; Piombino, P.; Addeo, F., Odour-impact compounds of Gorgonzola cheese, J. Dairy Res., 2000, 67, 2, 273-285, https://doi.org/10.1017/S0022029900004106 . [all data]

Peng, 2000
Peng, C.T., Prediction of retention indices. V. Influence of electronic effects and column polarity on retention index, J. Chromatogr. A, 2000, 903, 1-2, 117-143, https://doi.org/10.1016/S0021-9673(00)00901-8 . [all data]

Moio and Addeo, 1998
Moio, L.; Addeo, F., Grana Padano cheese aroma, J. Dairy Res., 1998, 65, 2, 317-333, https://doi.org/10.1017/S0022029997002768 . [all data]

Ott, Fay, et al., 1997
Ott, A.; Fay, L.B.; Chaintreau, A., Determination and origin of the aroma impact compounds of yogurt flavor, J. Agric. Food Chem., 1997, 45, 3, 850-858, https://doi.org/10.1021/jf960508e . [all data]

Shimoda, Nakada, et al., 1997
Shimoda, M.; Nakada, Y.; Nakashima, M.; Osajima, Y., Quantitative comparison of volatile flavor compounds in deep-roasted and light-roasted sesame seed oil, J. Agric. Food Chem., 1997, 45, 8, 3193-3196, https://doi.org/10.1021/jf970172o . [all data]

Shimoda, Shiratsuchi, et al., 1996
Shimoda, M.; Shiratsuchi, H.; Nakada, Y.; Wu, Y.; Osajima, Y., Identification and sensory characterization of volatile flavor compounds in sesame seed oil, J. Agric. Food Chem., 1996, 44, 12, 3909-3912, https://doi.org/10.1021/jf960115f . [all data]

Shimoda, Shigematsu, et al., 1995
Shimoda, M.; Shigematsu, H.; Shiratsuchi, H.; Osajima, Y., Comparison of the odor concentrates by SDE and adsorptive column method from green tea infusion, J. Agric. Food Chem., 1995, 43, 6, 1616-1620, https://doi.org/10.1021/jf00054a037 . [all data]

Shiratsuchi, Shimoda, et al., 1994
Shiratsuchi, H.; Shimoda, M.; Imayoshi, K.; Noda, K.; Osajima, Y., Volatile flavor compounds in spray-dried skim milk powder, J. Agric. Food Chem., 1994, 42, 4, 984-988, https://doi.org/10.1021/jf00040a028 . [all data]

Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Maltby, D., Prediction of retention indexes. III. Silylated derivatives of polar compounds, J. Chromatogr., 1991, 586, 1, 113-129, https://doi.org/10.1016/0021-9673(91)80029-G . [all data]

Chen, Kuo, et al., 1986
Chen, C.-C.; Kuo, M.-C.; Liu, S.-E.; Wu, C.-M., Volatile components of salted and pickled prunes (Prunus mume Sieb. et Zucc.), J. Agric. Food Chem., 1986, 34, 1, 140-144, https://doi.org/10.1021/jf00067a038 . [all data]


Notes

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