n-Hexadecanoic acid

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Normal alkane RI, non-polar column, custom temperature program

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 TR-5 MSTR-5 MSRTX-1SLB-5 MSSLB-5 MS
Column length (m) 15.15.60.30.30.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.250.250.220.250.25
Phase thickness (μm) 0.250.250.250.250.25
Program 35 0C (3 min) 2 0C/min -> 60 0C (3 min) 2 0C/min -> 80 0C (3 min) 4 0C/min -> 120 0C (3 min) 5 0C/min -> 150 0C (3 min) 15 0C/min -> 240 0C (10 min)35 0C (3 min) 2 0C/min -> 60 0C (3 min) 2 0C/min -> 80 0C (3 min) 4 0C/min -> 120 0C (3 min) 5 0C/min -> 150 0C (3 mion) 15 0C/min -> 240 0C (10 min)not specifiednot specifiednot specified
I 1975.1992.1956.1964.1977.
ReferenceKurashov, Mitrukova, et al., 2014Kurashov, Krylova, et al., 2013Bendiabdellah, El Amine Dib, et al., 2012Mondello, 2012Mondello, 2012
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase RTX-5 MSVF-5VF-5Siloxane, 5 % Ph5 % Phenyl polydimethyl siloxane
Column length (m) 15.30.30.  
Carrier gas HeliumHeliumHelium  
Substrate      
Column diameter (mm) 0.250.250.25  
Phase thickness (μm) 0.250.250.25  
Program 35 0C (6 min) 5 0C/min -> 150 0C 10 0C/min -> 280 0C (3 min)50 0C (2 min) 3 0C/min -> 200 0C (3 min) 10 0C/min -> 220 0C (8 min)not specifiednot specifiednot specified
I 1964.1978.1961.1967.1964.
ReferenceNadaf, Halimi, et al., 2012Shivashankar, Roy, et al., 2012Shivashankar, Roy, et al., 2012VOC BinBase, 2012Chaverri, Diaz, et al., 2011
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase OV-1HP-5 MSHP-5VF-5 MSHP-5 MS
Column length (m) 30.30.30.30.30.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.250.250.320.250.25
Phase thickness (μm)  0.250.250.250.25
Program 40 0C 2 0C/min -> 120 0C 10 0C/min -> 230 0C (15 min)40 0C (5 min) 30 0C/min -> 60 0C 6 0C/min -> 230 0C (10 min)not specifiednot specified40 0C (10 min) 3 0C/min -> 200 0C 2 0C/min -> 220 0C
I 1953.1929.1980.1962.1952.
ReferenceChen and Li, 2011Grzeszczuk, Wesolowska, et al., 2011Kahriman, Tosun, et al., 2011Liu, Lu, et al., 2011Nance and Setzer, 2011
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase Polydimethyl siloxane, 5 % phenylDB-5HP-5RTX-1HP-5
Column length (m)  30.30.60.30.
Carrier gas   HeliumHeliumHelium
Substrate      
Column diameter (mm)  0.320.250.220.32
Phase thickness (μm)   0.250.250.25
Program not specifiednot specifiednot specifiednot specifiednot specified
I 1967.1984.1987.1949.1980.
ReferenceSkogerson, Wohlgemuth, et al., 2011Yusuf and Bewaji, 2011Bi Kouame, Bedi, et al., 2010Dib, Djabou, et al., 2010Kahriman, Tosun, et al., 2010
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase ZB-1 MSDB-15 % Phenyl methyl siloxaneHP-5 MSElite-5 MS
Column length (m) 30.60.30.60.30.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.250.250.250.25
Program 50 0C 3 0C/min -> 150 0C (10 min) 10 0C/min -> 250 0C50 0C (5 min) 3 0C/min -> 120 0C 5 0C/min -> 250 0C (3 min) 15 0C/min -> 300 0C (20 min)50 0C (2 min) 10 0C/min -> 150 0C 15 0C/min -> 300 0C (10 min)60 0C ( 1 min) 5 0C/min -> 200 0C (1 min) 20 0C/min -> 280 0C (21 min)60 0C (1 min) 1.5 0C/min -> 185 0C (1 min) 9 0C/min -> 275 0C (2 min)
I 1968.1937.1942.1917.1967.
ReferenceAl-Reza, Rahman, et al., 2009Delort and Jaquier, 2009Huang, Qin, et al., 2009Jalali-Heravi, Parastar, et al., 2009Kapoor, Singh, et al., 2009
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5HP-5 MSRTX-5 MSRTX-5 MSHP-5
Column length (m) 25.30.30.30.50.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.320.250.250.250.32
Phase thickness (μm) 0.170.250.250.251.05
Program 60 0C (5 min) 4 0C/min -> 220 0C 11 0C/min -> 280 0C40 0C (5 min) 2 0C/min -> 270 0C -> 260 0C (20 min)50 0C (5 min) 2 0C/min -> 100 0C (5 min) 5 0C/min -> 300 0Cnot specifiednot specified
I 1973.1957.1984.1984.1977.
ReferenceMaggi, Bilek, et al., 2009Mancini, Arnold, et al., 2009Mebazaa, Mahmoudi, et al., 2009Mebazaa, Mahmoudi, et al., 2009Pugliese, Sirtori, et al., 2009
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-1HP-5MSRTX-5RTX-5HP-5
Column length (m) 25.30.30.30.30.
Carrier gas  HeHeliumHelium 
Substrate      
Column diameter (mm) 0.320.250.250.250.25
Phase thickness (μm) 0.170.250.250.250.25
Program not specified40 0C (2 min) 3 0C/min -> 180 0C (2 min) 15 0C -> 280 0C60 0C (5 min) 5 0C/min -> 110 0C 3 0C/min -> 220 0C (5 min)not specified40 0C (2 min) 5 0C/min -> 80 0C 7 oC/min -> 160 0C 9 0C/min -> 200 0C 20 0C/min -> 280 0C (10 min)
I 1940.1953.1978.2010.1958.
ReferenceWetwiayaklung, Thavanapong, et al., 2009Ning, Zheng, et al., 2008Zachariah, Leela, et al., 2008Zachariah, Leela, et al., 2008Zhao, Li, et al., 2008
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5SPB-1HP-5MSHP-5 MSDB-5 MS
Column length (m) 30.30.30.30.60.
Carrier gas  HeliumHeHeliumHelium
Substrate      
Column diameter (mm) 0.250.250.250.250.32
Phase thickness (μm) 0.250.250.250.251.0
Program not specified35 0C (2 min) 1 0C/min -> 90 0C 3 0C/min -> 220 0C40C(5min) => 2C/min => 250C(15min) => 10C/min => 270C40 0C (5 min) 2 0C/min -> 250 0C (15 min) 10 0C/min -> 270 0C40 0C (2 min) 6 0C/min -> 100 0C 4 0C/min -> 180 0C 8 0C/min -> 250 0C (12 min)
I 1962.1981.1957.1957.2010.
ReferenceZhao, Li, et al., 2008Borse, Rao, et al., 2007Formisano, Mignola, et al., 2007Formisano, Rigano, et al., 2007Liu, Xu, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5MSDB-5HP-5HP-5 MSHP-5MS
Column length (m) 30.50.30.30.30.
Carrier gas HeHeliumHeliumHeliumHe
Substrate      
Column diameter (mm) 0.250.320.250.250.25
Phase thickness (μm) 0.250.250.250.250.25
Program 40C(10min) => 3C/min => 200C => 2C/min => 220C60 0C (1 min) 5 0C/min -> 160 0C 10 0C/min -> 250 0Cnot specifiednot specified50C(2min) => 6C/min => 200C => 10C/min => 270C(10min)
I 1969.1972.1951.1960.1962.
ReferenceMoronkola, Ogunwande, et al., 2007Nivinsliene, Butkiene, et al., 2007Ristic, Krivokuca-Dokic, et al., 2007Sharififar, Mozaffarian, et al., 2007Deng, Xu, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5MSDB-5HP-5MSHP-5MSPolydimethyl siloxane with 5 % Ph groups
Column length (m) 30.30.30.30. 
Carrier gas HeHeHeHe 
Substrate      
Column diameter (mm) 0.250.250.250.25 
Phase thickness (μm) 0.250.250.250.25 
Program 40C(5min) => 2C/min => 250C(15min) => 10C/min => 270C40C (5min) => 2C/min => 250C(15min) => 5C/min => 270C (10min)40C(5min) => 2C/min => 250C (15min) => 10C/min => 270C40C(3min) => 2C/min => 180C => 10C/min => 250C(5min)not specified
I 1957.1965.1957.1973.1972.
ReferenceFormisano C., Senatore F., et al., 2006Massardo, Senatore, et al., 2006Senatore, Apostolides Arnold, et al., 2006Alissandrakis, Kibaris, et al., 2005Pino, Marbot, et al., 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1 OV-1DB-5MSHP-5
Column length (m) 30. 15.30.30.
Carrier gas He HeHe 
Substrate      
Column diameter (mm) 0.25 0.3170.250.25
Phase thickness (μm) 0.25  0.250.25
Program 45C => 3C/min => 175C => 15C/min => 300C (15min)not specified50C(4min) => 4C/min => 90C => 10C/min => 300C(10min)40C => 2C/min => 60C => 4C/min => 260C40C(5min) => 2C/min => 250C(15min) => 10C/min => 270C
I 1960.1948.1948.1961.1957.
ReferenceTouafek, Nacer, et al., 2005El-Shazily, Hafez, et al., 2004El-Shazly and Hussein, 2004Maia, Andrade, et al., 2004Senatore, Apostolides Arnold, et al., 2004
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5HP-5MSDB-5 MSDB-5 MSHP-1
Column length (m)  30.30.30.50.
Carrier gas  HeHeliumHeliumN2
Substrate      
Column diameter (mm)  0.250.250.250.32
Phase thickness (μm)  0.251.01.00.52
Program not specified40C (10min) => 3C/min => 120C => 10C/min => 250C (5min)not specifiednot specified40C => 2C/min => 130C => 4C/min => 250C
I 1977.1975.1960.1975.1980.
ReferenceMorteza-Semnani and Vahedi, 2002Ansorena, Gimeno, et al., 2001Luo and Agnew, 2001Luo and Agnew, 2001Teai, Claude-Lafontaine, et al., 2001
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5HP-5CP Sil 5 CBSE-54SF-96
Column length (m) 30.30.25.25.40.
Carrier gas HeHeHe  
Substrate      
Column diameter (mm) 0.250.250.390.310.28
Phase thickness (μm) 0.250.25   
Program 40C => 2C/min => 60C => 4C/min => 260C40C (10min) => 3C/min => 120C => 10C/min => 250C (5min)not specifiednot specified75C => 3C/min => 190C(25min) => 3C/min => 210C
I 1962.1983.1942.1964.1958.
ReferenceAndrade, Maia, et al., 2000Ansorena, Astiasarán, et al., 2000Weyerstahl, Marschall, et al., 1999Ding, Deng, et al., 1998Kawasaki, Matsui, et al., 1998
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1DB-1DB-1DB-1OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.
Column length (m) 60.60.30.30.50.
Carrier gas   H2H2Hydrogen
Substrate      
Column diameter (mm) 0.250.250.250.250.32
Phase thickness (μm) 0.250.250.250.25 
Program not specifiednot specified30C (2min) => 2C/min => 150C => 4C/min => 250C30C (2min) => 2C/min => 150C => 4C/min => 250Cnot specified
I 1973.1981.1943.1944.1945.
ReferenceKawai, Ishida, et al., 1991Kawai, Ishida, et al., 1991Takeoka, Flath, et al., 1988Takeoka, Flath, et al., 1988Waggott and Davies, 1984
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryOther
Active phase OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.Methyl Silicone
Column length (m) 50.50. 
Carrier gas HydrogenHydrogen 
Substrate    
Column diameter (mm) 0.320.32 
Phase thickness (μm)    
Program not specifiednot specifiednot specified
I 1973.1980.1973.
ReferenceWaggott and Davies, 1984Waggott and Davies, 1984Ardrey and Moffat, 1981
Comment MSDC-RI MSDC-RI MSDC-RI

References

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

Kurashov, Mitrukova, et al., 2014
Kurashov, E.A.; Mitrukova, G.G.; Krylova, Yu.V., Variations in the component composition of essential oil of Ceratophyllum demersum (Ceratophyllaceae) during vegetation (in press), Plant Resources (Rastitel'nye Resursy), 2014, 1, 000-000. [all data]

Kurashov, Krylova, et al., 2013
Kurashov, E.A.; Krylova, Yu.V.; Mitrukova, G.G., Variations in component composition of essential oil of Potamogeton pusillus (Potamogetonaceae) dirong vegetation, Plant Resources (Rastitel'nye Resursy), 2013, 000-000. [all data]

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Mondello, 2012
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Kahriman, N.; Tosun, G.; Terzioglu, S.; Karaoglu, S.A.; Yayh, N., Chemical composition and antimicrobial activity of the essential oils from the flower, leaf, and stem of Senecio pandurifolis, Rec. Nat. Prod., 2011, 5, 2, 82-91. [all data]

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Dib, Djabou, et al., 2010
Dib, M.ElA.; Djabou, N.; Desjobert, L.-M.; Allali, H.; Tabti, B.; Muselli, A.; Costa, J., Characterization of volatile compounds of Daucus crinitus Desf. headspace solid phase microextraction as alternative technique to hydrodistillation, Chem, Centr. J., 2010, 4, 16, 1-15. [all data]

Kahriman, Tosun, et al., 2010
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Delort and Jaquier, 2009
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Jalali-Heravi, Parastar, et al., 2009
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Maggi, Bilek, et al., 2009
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Mancini, Arnold, et al., 2009
Mancini, E.; Arnold, N.A.; De Martino, L.; De Feo, V.; Formisano, C.; Rigano, D.; Senatore, F., Chemical composition and phytotoxic effects of essential oils of Salvia hierosolymitana Boiss. and Salvia multicaulis Vahl. var. simplicifolia Boiss. growing wild in Lebanon, Molecules, 2009, 14, 11, 4725-4736, https://doi.org/10.3390/molecules14114725 . [all data]

Mebazaa, Mahmoudi, et al., 2009
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Pugliese, Sirtori, et al., 2009
Pugliese, C.; Sirtori, F.; Ruiz, J.; Martin, D.; Parenti, S.; Franci, O., Effect of pasture on chestnut or acorn on fatty acid composition and aromatic profile of fat of China Senece dry-cured ham, Gracas y Aceites, 2009, 60, 3, 271-276, https://doi.org/10.3989/gya.130208 . [all data]

Wetwiayaklung, Thavanapong, et al., 2009
Wetwiayaklung, P.; Thavanapong, N.; Charoenteeraboon, J., Chemical constituents and antimicrobial activity os essential oil and extracts of heartwood of Aquilaria crassna obtained from water distillation and supercritical fluid carbon dioxide extraction, Silpakorn U Sci. J., 2009, 3, 1, 25-33. [all data]

Ning, Zheng, et al., 2008
Ning, H.; Zheng, F.; Sun, B.; Xie, J.; Liu, Y., Solvent-free microwave extraction of essential oil from Zanthoxylum bungeanum Maxim., Food Environ. Ind. (Chinese), 2008, 34, 5, 179-184. [all data]

Zachariah, Leela, et al., 2008
Zachariah, T.J.; Leela, N.K.; Maya, K.M.; Rema, J.; Mathew, P.A.; Vipin, T.M.; Krishnamoorthy, B., Chemical composition of leaf oils of Myristica beddomeii (King), Myristica fragrans (Houtt.) and Myristica malabarica (Lamk.), J. Spices Arom. Crops, 2008, 17, 1, 10-15. [all data]

Zhao, Li, et al., 2008
Zhao, Y.; Li, J.; Xu, Y.; Duan, H.; Fan, W.; Zhao, G., EXtraction, preparation and identification of volatile compounds in Changyu XO brandy, Chinese J. Chromatogr., 2008, 26, 2, 212-222, https://doi.org/10.1016/S1872-2059(08)60014-0 . [all data]

Borse, Rao, et al., 2007
Borse, B.B.; Rao, L.J.M.; Ramalaksmi, K.; Raghavan, B., Chemical composition of volatiles from coconut sap (neera) end effect of processing, Food Chem., 2007, 101, 3, 877-880, https://doi.org/10.1016/j.foodchem.2006.02.026 . [all data]

Formisano, Mignola, et al., 2007
Formisano, C.; Mignola, E.; Rigano, D.; Senatore, F.; Bellone, G.; Bruno, M.; Rosselli, S., Chemical composition and antimicrobial activity of the essential oil from aerial parts of Micromeria fruticulosa (Bertol.) Grande (Lamiaceae) growing wild in Southern Italy, Flavour Fragr. J., 2007, 22, 4, 289-292, https://doi.org/10.1002/ffj.1795 . [all data]

Formisano, Rigano, et al., 2007
Formisano, C.; Rigano, D.; Napolitano, F.; Senatore, F.; Arnold, N.A.; Piozzi, F.; Rosselli, S., Volatile constituents of Calamintha ariganifolia Boiss. growing wild in Lebanon, Natural Product Communications, 2007, 2, 12, 1253-1256. [all data]

Liu, Xu, et al., 2007
Liu, Y.; Xu, X.-L.; Zhou, G.-H., Comparative study of volatile compounds in traditional Chinese Nanjing marinated duck by different extraction techniques, Int. J. Food Sci. Technol., 2007, 42, 5, 543-550, https://doi.org/10.1111/j.1365-2621.2006.01264.x . [all data]

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Notes

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