Characterization of the lipid profile from coconut (Cocos nucifera L.) oil of different varieties by electrospray ionization mass spectrometry associated with principal component analysis and independent component analysis.

Coconut oil (CO) from fifteen different varieties of coconuts (Cocos nucifera L.) and one CO processed on an industrial scale were analyzed by electrospray ionization mass spectrometry (ESI-MS) and the data processed using the chemometric tools principal component analysis and independent component analysis. ESI-MS fingerprinting of lipid compounds showed predominance of diacylglycerols and triacylglycerols, as confirmed by high-resolution MS measurements. Chemometric processing of the ESI-MS data differentiated the coconut oil samples, showing that different coconut varieties/cultivars produce oils with distinguishable abundances of lipidic compounds. Thus ESI-MS analysis followed by data treatment using chemometric tools offers a tool able to classify the industrial coconut oils in a fast, simple and effective way, as well as serving as a potential method to identify the coconut varieties by the CO origin, and the occurrence of any adulteration. The procedure may also be applied for quality control of the industrial processes.

[1]  S. Ekanayake,et al.  Comparison of the phenolic-dependent antioxidant properties of coconut oil extracted under cold and hot conditions. , 2009 .

[2]  Randall D. Tobias,et al.  Chemometrics: A Practical Guide , 1998, Technometrics.

[3]  D. Jouan-Rimbaud Bouveresse,et al.  Corrigendum to ‘Independent Components Analysis with the JADE algorithm’ , 2015 .

[4]  Abdul Rohman,et al.  The use of Fourier transform mid infrared (FT-MIR) spectroscopy for detection and quantification of adulteration in virgin coconut oil. , 2011, Food chemistry.

[5]  Y. Man,et al.  Differential scanning calorimetric analysis of palm oil, palm oil based products and coconut oil: effects of scanning rate variation , 2002 .

[6]  O. Trhlíková,et al.  Medium chain glycerides of coconut oil for microwave-enhanced conversion of polycarbonate into polyols , 2017 .

[7]  W. A. Lopes,et al.  Immediate differentiation of unusual seed oils by easy ambient sonic-spray ionization mass spectrometry and chemometric analysis , 2016 .

[8]  S. Azeez.  Fatty acid profile of coconut oil in relation to nut maturity and season in selected cultivars/hybrids , 2007 .

[9]  D. Jouan-Rimbaud Bouveresse,et al.  Independent components analysis with the JADE algorithm , 2012 .

[10]  D. Mcclements,et al.  Properties and stability of oil-in-water emulsions stabilized by coconut skim milk proteins. , 2005, Journal of agricultural and food chemistry.

[11]  A. Laurena,et al.  Variability in fatty acid and triacylglycerol composition of the oil of coconut (Cocos nucifera L.) hybrids and their parentals. , 2002, Journal of agricultural and food chemistry.

[12]  S. Khatoon,et al.  Trans-free plastic shortenings from coconut stearin and palm stearin blends. , 2009 .

[13]  Yamin Rekhu,et al.  Biodiesel from Coconut Oil: A Renewable Alternative Fuel for Diesel Engine , 2012 .

[14]  D. Ji,et al.  Safety assessment of widely used fermented virgin coconut oil (Cocos nucifera) in Malaysia: Chronic toxicity studies and SAR analysis of the active components. , 2016, Regulatory toxicology and pharmacology : RTP.

[15]  C. Tan,et al.  Stability of a concentrated oil-in-water emulsion model prepared using palm olein-based diacylglycerol/virgin coconut oil blends: Effects of the rheological properties, droplet size distribution and microstructure. , 2014, Food research international.

[16]  M. Eberlin,et al.  Comprehensive characterization of lipids from Amazonian vegetable oils by mass spectrometry techniques. , 2014, Food research international.

[17]  Christian Jutten,et al.  Blind separation of sources, part I: An adaptive algorithm based on neuromimetic architecture , 1991, Signal Process..

[19]  S. Nazimah,et al.  Chemical Properties of Virgin Coconut Oil , 2009 .

[20]  Johan G. Ohler,et al.  Modern Coconut Management: Palm Cultivation and Products , 1999 .

[21]  T. Qiu,et al.  The synthesis of biodiesel from coconut oil using novel Brønsted acidic ionic liquid as green catalyst , 2016 .

[22]  C. C. Seow,et al.  Coconut milk: chemistry and technology , 1997 .

[23]  D. Bezbradica,et al.  Synthesis of medium-chain length capsinoids from coconut oil catalyzed by Candida rugosa lipases. , 2017, Food chemistry.

[24]  João G D Oliveira,et al.  Biodiesel production from waste coconut oil by esterification with ethanol: The effect of water removal by adsorption , 2010 .

[25]  C. Teng,et al.  Extraction of coconut oil with Lactobacillus plantarum 1041 IAM , 1997 .

[26]  P. K. P. Kumar,et al.  Physicochemical characteristics of commercial coconut oils produced in India , 2015 .

[27]  L. A. Gioielli,et al.  Effects of high intensity ultrasound and emulsifiers on crystallization behavior of coconut oil and palm olein , 2016 .

[28]  M. N. Azudin,et al.  Aqueous enzymatic extraction of coconut oil , 1996 .

[29]  M. Godinho,et al.  Soybean and coconut oil based unsaturated polyester resins: Thermomechanical characterization , 2016 .

[30]  W. Amarasiri,et al.  Coconut fats. , 2006, The Ceylon medical journal.

[31]  Marcos N Eberlin,et al.  Brazil nut oil: quality control via triacylglycerol profiles provided by easy ambient sonic-spray ionization mass spectrometry. , 2012, Journal of agricultural and food chemistry.

[32]  Lúcio Cardozo-Filho,et al.  Subcritical Extraction of Salvia hispanica L. Oil with N-Propane: Composition, Purity and Oxidation Stability as Compared to the Oils Obtained by Conventional Solvent Extraction Methods , 2014 .

[33]  M. Eberlin,et al.  Subcritical extraction of flaxseed oil with n-propane: Composition and purity. , 2015, Food chemistry.

[34]  E. Hawkes,et al.  Dependency of engine combustion on blending ratio variations of lipase-catalysed coconut oil biodiesel and petroleum diesel , 2016 .

[35]  M. Eberlin,et al.  Characterization of vegetable oils by electrospray ionization mass spectrometry fingerprinting: classification, quality, adulteration, and aging. , 2005, Analytical chemistry.

[36]  Age K. Smilde,et al.  Principal Component Analysis , 2003, Encyclopedia of Machine Learning.

[37]  R. Censi,et al.  Qualitative characterization of a transesterification product of coconut oil by FIA‐APCI‐MS , 2015, International journal of cosmetic science.