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首页> 外文期刊>Journal of mass spectrometry: JMS >Triacylglycerol profile in cocoa liquors using MALDI-TOF and LC-ESI tandem mass spectrometry
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Triacylglycerol profile in cocoa liquors using MALDI-TOF and LC-ESI tandem mass spectrometry

机译：使用MALDI-TOF和LC-ESI串联质谱分析可可液中的三酰基甘油谱

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摘要

Triacylglycerols are responsible for chocolate’s peculiar melting behavior: the type and position of fatty acids on the glycerol molecule strongly affect the melting range of cocoa butter. For this reason, the characterization of triglyceride composition in cocoa products is particularly important. In this work, triacylglycerols extracted from cocoa liquor samples were analyzed by matrix-assisted laser desorption/ionization time-of-flight (TOF) and electrospray ionization tandem mass spectrometry (MS/MS) coupled to liquid chromatography. Extracted samples were initially analyzed by direct injection in MS to obtain information on triglyceride molecular weights; relevant MS parameters were optimized, and the possible formation of the adducts [M + Na]~+ and [M +NH_4]~+ was studied. Tandem mass experiments (both with triple quadrupole and TOF/TOF) were performed to study the fragmentation pathways (in particular, the loss of palmitic, stearic and oleic acid) and identify the triacylglycerols in cocoa liquors. Some signals of the spectra obtained with both MS techniques could indicate the presence of diacylglycerols in the cocoa extract, but different experimental evidences demonstrated that they were generated by the in-source fragmentation of triglycerides. A nonaqueous reversed-phase chromatographic separation was also developed and used to support the identification of the analytes; nine triacylglycerols were recognized in the cocoa liquor extracts. The three different batches of Ecuador cocoa liquor did not show significant differences in the triacylglycerol profile.
机译：三酰基甘油负责巧克力的特殊熔化行为：脂肪酸在甘油分子上的类型和位置强烈影响可可脂的熔化范围。因此，可可制品中甘油三酸酯组成的表征尤为重要。在这项工作中，可可液样品中提取的三酰基甘油通过基质辅助激光解吸/电离飞行时间（TOF）和电喷雾电离串联质谱（MS / MS）结合液相色谱进行了分析。最初通过直接进样MS分析提取的样品，以获得有关甘油三酸酯分子量的信息。优化了相关的MS参数，并研究了加合物[M + Na]〜+和[M + NH_4]〜+的可能形成。进行了串联质谱实验（同时使用三重四极杆和TOF / TOF进行）以研究裂解途径（特别是棕榈酸，硬脂酸和油酸的损失）并鉴定可可液中的三酰基甘油。两种质谱技术获得的光谱信号中的某些信号可能表明可可提取物中存在二酰基甘油，但不同的实验证据表明它们是由甘油三酸酯的源内裂解产生的。还开发了非水相反相色谱分离技术，用于分离分析物。可可液提取物中识别出九种三酰基甘油。三种不同批次的厄瓜多尔可可液在三酰基甘油谱上没有显示出显着差异。

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