Hexadecanoic acid, methyl ester

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Normal alkane RI, non-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 HP-5 MSOptima-5VF-5 MSVF-5 MSRTx-1
Column length (m) 30.30.60.60.60.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.250.250.320.320.22
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 60.60.30.30.60.
Tend (C) 230.246.260.260.230.
Heat rate (K/min) 3.3.2.2.2.
Initial hold (min)  1.   
Final hold (min)   28.28.35.
I 1920.1917.1927.1927.1908.
ReferencePripdeevech and Saansoomchai, 2013Al-Qudah, Muhaidat, et al., 2012Leffingwell and Alford, 2011Leffingwell and Alford, 2011Dib, Bendahou, et al., 2010
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SPB-1OV-1SPB-1HP-5 MSHP-5 MS
Column length (m) 30.30.30.30.30.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.320.250.250.320.25
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 30.50.50.50.70.
Tend (C) 250.250.250.240.290.
Heat rate (K/min) 4.5.5.4.5.
Initial hold (min) 3.3.3.2. 
Final hold (min) 10.2.15.10.10.
I 1909.1910.1910.1920.1928.
ReferenceEscalona-Arranz, Perez-Roses, et al., 2010Hu, Liang, et al., 2010Lazarevic, Palic, et al., 2010Pino, Marquez, et al., 2010Radulovic, Blagojevic, et al., 2010
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5HP-5 MSDB-5 MSDB-1HP-5 MS
Column length (m) 30.30.30.30.30.
Carrier gas HydrogenHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 70.70.60.50.35.
Tend (C) 290.290.240.220.195.
Heat rate (K/min) 5.5.3.4.2.
Initial hold (min)    2.5.
Final hold (min)  10. 2.30.
I 1928.1927.1926.1910.1925.
ReferenceRadulovic, Dordevic, et al., 2010Radulovic, Dordevic, et al., 2010, 2Silva, Pott, et al., 2010Xu, Tang, et al., 2010Kim and Chung, 2009
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5 MSDB-5HP-101HP-101HP-5
Column length (m) 30.30.25.25.30.
Carrier gas HeliumHeliumHeliumHeliumNitrogen
Substrate      
Column diameter (mm) 0.250.250.200.200.25
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 50.60.70.70.50.
Tend (C) 280.220.200.200.280.
Heat rate (K/min) 4.3.3.3.5.
Initial hold (min)   2.2.1.
Final hold (min)     1.
I 1927.1927.1912.1921.1927.
ReferenceZhao, Zeng, et al., 2009Bastos, Ishimoto, et al., 2008Blazevic and Mastelic, 2008Blazevic and Mastelic, 2008Bousaada, Ammar, et al., 2008
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase VF-5MSHP-5HP-5 MSRTX-5 MSHP-5MS
Column length (m) 30.30.30.30.30.
Carrier gas HeliumNitrogenHeliumHeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 240.50.50.60.60.
Tend (C) 320.280.240.200.250.
Heat rate (K/min) 20.5.3.2.2.
Initial hold (min) 1.1. 2.8.
Final hold (min)  1. 10.15.
I 1927.1931.1939.1926.1924.
ReferenceKowalski, 2008Saidana, Mahjoub, et al., 2008Sarikurkcu, Tepe, et al., 2008Edris, Chizzola, et al., 2007Ferhat, Tigrine-Kordjani, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SE-30HP-5DB-5Elite-5MSDB-5
Column length (m) 30.30.30.30.30.
Carrier gas HeHeHeHeHelium
Substrate      
Column diameter (mm) 0.250.250.250.320.25
Phase thickness (μm) 0.250.250.250.5 
Tstart (C) 40.40.60.40.60.
Tend (C) 250.250.320.280.200.
Heat rate (K/min) 5.5.10.4.2.
Initial hold (min) 5.5. 5. 
Final hold (min) 10.10.4.10.20.
I 1934.1929.1907.1924.1900.
ReferenceLoizzo, Tundis, et al., 2007Loizzo, Tundis, et al., 2007Smelcerovic, Spiteller, et al., 2007Tava, Pecetti, et al., 2007Tiwary, Nail, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-5DB-5HP-101HP-5
Column length (m) 30.30.30.25.30.
Carrier gas HeliumHeHeHeHelium
Substrate      
Column diameter (mm) 0.250.250.250.20.32
Phase thickness (μm)  0.250.250.20.25
Tstart (C) 60.60.60.70.40.
Tend (C) 200.240.240.200.240.
Heat rate (K/min) 2.5.5.3.4.
Initial hold (min)  2.2.2. 
Final hold (min) 20.  15.5.
I 1927.1927.1927.1902.1923.
ReferenceTiwary, Nail, et al., 2007Gohari, Hadjiakhoondi, et al., 2006Gohari A.R., Hadjiakhoondi A., et al., 2006Mastelic, Jerkovic, et al., 2006Miyazawa and Kawata, 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5SPB-5DB-5DB-5DB-5
Column length (m) 30.30.30.30.30.
Carrier gas HeHeliumHeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 60.60.60.60.40.
Tend (C) 220.250.200.200.250.
Heat rate (K/min) 4.4.2.2.4.
Initial hold (min)  2.  2.
Final hold (min)  20.60.60.10.
I 1923.1928.1931.1930.1924.
ReferenceMorteza-Semnani, Akbarzadeh, et al., 2006Pino, Marquez, et al., 2006Rout, Naik, et al., 2006Rout, Naik, et al., 2006Shen X., Gao Y., et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5MSBPX-5CP Sil 8 CBHP-5SPB-5
Column length (m) 30.25.30.60.30.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.220.250.320.25
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 60.50.80.30.60.
Tend (C) 280.300.200.260.250.
Heat rate (K/min) 3.5.3.2.4.
Initial hold (min)  5.5.2.2.
Final hold (min)   5.28.20.
I 1910.1925.1930.1928.11926.
ReferenceTzakou, Said, et al., 2006Dickschat, Bode, et al., 2005Facey, Porter, et al., 2005Leffingwell and Alford, 2005Pino, Marbot, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5HP-5DB-5DB-5HP-5MS
Column length (m) 25.30.30.30.30.
Carrier gas HeHeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.25 0.250.250.25
Tstart (C) 60.60.60.40.60.
Tend (C) 200.240.220.260.285.
Heat rate (K/min) 2.5.3.2.4.3
Initial hold (min)   4.5. 
Final hold (min) 80.  20. 
I 1925.1927.1927.1927.1927.
ReferenceRout, Misra, et al., 2005Saeidnia, Gohari, et al., 2005Salehi, Sefidkon, et al., 2005Senatore, Apostolides Arnold, et al., 2005Tesevic, Nikicevic, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5HP-5HP-5HP-5HP-5
Column length (m) 30.30.30.30.30.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.320.320.320.320.32
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 40.40.40.40.40.
Tend (C) 250.250.250.250.250.
Heat rate (K/min) 5.5.5.5.5.
Initial hold (min) 2.2.2.2.2.
Final hold (min) 5.5.5.5.5.
I 1906.1910.1913.1915.1916.
ReferenceN/AN/AN/AN/AN/A
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-5DB-5DB-5DB-5
Column length (m) 30.25.30.50.30.
Carrier gas HeNitrogenHeliumHeliumHe
Substrate      
Column diameter (mm) 0.320.250.250.250.25
Phase thickness (μm) 0.250.25  0.25
Tstart (C) 40.60.60.60.40.
Tend (C) 250.240.240.240.250.
Heat rate (K/min) 5.3.2.2.2.
Initial hold (min) 2.   5.
Final hold (min) 10. 999.999.20.
I 1910.1924.1924.1924.1929.
ReferenceWu, Krings, et al., 2005JAvidnia, Mojab, et al., 2004Miyazawa, Fuhita, et al., 2004Miyazawa, Fujita, et al., 2004Senatore, Rigano, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SPB-5DB-5HP-1DB-5DB-5
Column length (m) 30.30.50.30.25.
Carrier gas HeH2HeHeHe
Substrate      
Column diameter (mm) 0.320.250.20.250.25
Phase thickness (μm) 0.250.250.50.250.25
Tstart (C) 40.60.60.40.40.
Tend (C) 220.280.220.290.280.
Heat rate (K/min) 5.4.2.4.3.
Initial hold (min) 1.10.  5.
Final hold (min) 20.40.40. 5.
I 1928.1926.1904.1924.1922.
ReferenceLedauphin, Guichard, et al., 2003Pino, Marbot, et al., 2003Valette, Fernandez, et al., 2003da Camara, Shepherd, et al., 2002Merle, Blázquez, et al., 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase SPB-5DB-5Optima-1DB-5HP-5 MS
Column length (m) 30.30.25.30.30.
Carrier gas HeliumHeHeHeHelium
Substrate      
Column diameter (mm) 0.250.250.200.250.25
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 60.60.50.60.50.
Tend (C) 250.240.250.270.250.
Heat rate (K/min) 4.3.3.3.5.
Initial hold (min) 2. 3. 2.
Final hold (min) 20.   5.
I 1927.1926.1914.1929.1925.
ReferencePino, Marbot, et al., 2002Tellez, Khan, et al., 2002Brun, Bessière, et al., 2001Palmeira, Conserva, et al., 2001Shang, Hu, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Optima-1OV-101HP-1HP-1CP Sil 5 CB
Column length (m) 25.50.30.30.25.
Carrier gas HeNitrogenHeHeHe
Substrate      
Column diameter (mm) 0.200.250.250.250.25
Phase thickness (μm) 0.25 0.10.10.25
Tstart (C) 50.40.50.50.60.
Tend (C) 250.200.300.300.300.
Heat rate (K/min) 3.2.5.5.6.
Initial hold (min) 3.10.2.2. 
Final hold (min)   3.3. 
I 1908.1909.1909.1909.1908.
Referencede Beck, Bessière, et al., 2000Tamura, Boonbumrung, et al., 2000Boatright and Crum, 1997Boatright and Crum, 1997Bos, Woerdenbag, et al., 1997
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-1Ultra-2DB-1DB-1
Column length (m) 30.30.50.30.30.
Carrier gas  HeHeHeHe
Substrate      
Column diameter (mm) 0.250.250.320.250.25
Phase thickness (μm) 0.25 0.521.01.0
Tstart (C) 60.70.40.40.40.
Tend (C) 300.300.250.250.250.
Heat rate (K/min) 4.3.4.3.3.
Initial hold (min) 2.5.3.  
Final hold (min) 5. 30.30.30.
I 1924.01905.1924.1908.1911.
ReferenceGawdzik, Mardarowicz, et al., 1996Guy and Vernin, 1996King, Matthews, et al., 1995Peppard, 1992Peppard, 1992
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5DB-5Ultra-1OV-101OV-101
Column length (m) 30.60.25.45.50.
Carrier gas N2HeHeHe 
Substrate      
Column diameter (mm) 0.250.320.320.250.32
Phase thickness (μm) 0.2151.00.25  
Tstart (C) 50.40.80.100.40.
Tend (C) 300.240.260.180.225.
Heat rate (K/min) 6.3.3.3.4.
Initial hold (min) 4.   0.1
Final hold (min) 20.   30.
I 1928.1916.1909.1906.1909.
ReferenceWang, Jin, et al., 1992Berdague, Denoyer, et al., 1991Okumura, 1991Wu, Zhao, et al., 1987Stern, Flath, et al., 1985
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase OV-101Methyl SiliconeMethyl SiliconeOV-101OV-101
Column length (m) 50.25.25.30.30.
Carrier gas    H2Hydrogen
Substrate      
Column diameter (mm) 0.320.20.20.30.35
Phase thickness (μm)      
Tstart (C) 50.80.80.80.60.
Tend (C) 225.225.225.275.270.
Heat rate (K/min) 4.4.4.2.4.
Initial hold (min) 0.1  7.0.5
Final hold (min) 30.20.20.  
I 1907.1911.1913.1910.1911.
ReferenceStern, Flath, et al., 1985Lorenz, Stern, et al., 1983Lorenz, Stern, et al., 1983Pinkston, Spiteller, et al., 1981Ehrhardt, Osterroht, et al., 1980
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillary
Active phase OV-101SE-30OV-101
Column length (m) 30. 25.
Carrier gas HydrogenHeliumHe
Substrate    
Column diameter (mm) 0.35  
Phase thickness (μm)    
Tstart (C) 60.70.75.
Tend (C) 270.170.280.
Heat rate (K/min) 4.2.2.
Initial hold (min) 0.5 7.
Final hold (min)    
I 1912.1905.1910.
ReferenceEhrhardt, Osterroht, et al., 1980Alves and Jennings, 1979Spiteller and Spiteller, 1979
Comment MSDC-RI MSDC-RI MSDC-RI

References

Go To: Top, Normal alkane RI, non-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.

Pripdeevech and Saansoomchai, 2013
Pripdeevech, P.; Saansoomchai, J., Antibacterial activity and chemical composition of essential oil and various extracts of Fagraea fragrans Roxb. flowers, Chiang Mai J. Sci., 2013, 40, 2, 214-223. [all data]

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Dib, Bendahou, et al., 2010
Dib, M.A.; Bendahou, M.; Bendiabdellah, A.; Djabou, N.; Allali, H.; Tabti, B.; Paolini, J.; Costa, J., Partial chemical composition and antimicrobial activity of Daucus crinitus Desf. extracts, Grasas y Aceites, 2010, 61, 3, 271-278, https://doi.org/10.3989/gya.122609 . [all data]

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Pino, Marquez, et al., 2010
Pino, J.A.; Marquez, E.; Quijano, C.E.; Castro, D., Volatile compounds in noni (Morinda citrifolia L.) at two ripening stages, Ciencia e Technologia de Alimentos, 2010, 30, 1, 183-187, https://doi.org/10.1590/S0101-20612010000100028 . [all data]

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Radulovic, N.; Blagojevic, P.; Palic, R., Comparative study of the leaf volatiles of Arctostaphylos uva-ursi (L.) Spreng. and Vaccinium vitis-idaea L. (Ericaceae), Molecules, 2010, 15, 9, 6168-6185, https://doi.org/10.3390/molecules15096168 . [all data]

Radulovic, Dordevic, et al., 2010
Radulovic, N.S.; Dordevic, N.D.; Palic, R.M., Volatiles of Pleurospermum austriacum (L.) Hoffm. (Apiaceae), J. Serbian Chem. Soc., 2010, 75, 12, 1-11, https://doi.org/10.2298/JSC100323127R . [all data]

Radulovic, Dordevic, et al., 2010, 2
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Silva, Pott, et al., 2010
Silva, D.B.; Pott, A.; Oliveira, D.C.R., Analyses of the headspace volatile constituents of aerial parts (leaves and stems), flowers and fruits of Bidens gardneri Bak. and Bidens sulphurea (Cav.) Sch. Bip. using solid-phase microextraction, J. Essen. Oil Res., 2010, 22, 6, 560-563, https://doi.org/10.1080/10412905.2010.9700400 . [all data]

Xu, Tang, et al., 2010
Xu, X.; Tang, Z.; Liang, Y., Comparative analysis of plant essential oils by GC-MS coupled with integrated chemometric resolution methods, Anal. Methods, 2010, 2, 4, 359-367, https://doi.org/10.1039/b9ay00213h . [all data]

Kim and Chung, 2009
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Zhao, Zeng, et al., 2009
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Bastos, Ishimoto, et al., 2008
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Bousaada, Ammar, et al., 2008
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Kowalski, 2008
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Saidana, Mahjoub, et al., 2008
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Sarikurkcu, Tepe, et al., 2008
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Edris, Chizzola, et al., 2007
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Ferhat, Tigrine-Kordjani, et al., 2007
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Loizzo, Tundis, et al., 2007
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Notes

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