Mahmoodani Fatemeh, Perera Conrad O, Abernethy Grant, Fedrizzi Bruno, Greenwood David, Chen Hong
School of Chemical Sciences, Food Science Program, University of Auckland, Building 302, 23 Symonds Street, Auckland, New Zealand.
Fonterra Cooperative Group Ltd, Palmerston North, New Zealand.
J Am Soc Mass Spectrom. 2018 Jul;29(7):1442-1455. doi: 10.1007/s13361-018-1926-x. Epub 2018 Mar 19.
In a successful fortification program, the stability of micronutrients added to the food is one of the most important factors. The added vitamin D3 is known to sometimes decline during storage of fortified milks, and oxidation through fatty acid lipoxidation could be suspected as the likely cause. Identification of vitamin D3 oxidation products (VDOPs) in natural foods is a challenge due to the low amount of their contents and their possible transformation to other compounds during analysis. The main objective of this study was to find a method to extract VDOPs in simulated whole milk powder and to identify these products using LTQ-ion trap, Q-Exactive Orbitrap and triple quadrupole mass spectrometry. The multistage mass spectrometry (MS) spectra can help to propose plausible schemes for unknown compounds and their fragmentations. With the growth of combinatorial libraries, mass spectrometry (MS) has become an important analytical technique because of its speed of analysis, sensitivity, and accuracy. This study was focused on identifying the fragmentation rules for some VDOPs by incorporating MS data with in silico calculated MS fragmentation pathways. Diels-Alder derivatization was used to enhance the sensitivity and selectivity for the VDOPs' identification. Finally, the confirmed PTAD-derivatized target compounds were separated and analyzed using ESI(+)-UHPLC-MS/MS in multiple reaction monitoring (MRM) mode. Graphical Abstract ᅟ.
在一个成功的强化计划中，添加到食品中的微量营养素的稳定性是最重要的因素之一。已知添加的维生素D3在强化牛奶储存期间有时会减少，通过脂肪酸脂氧化作用的氧化可能被怀疑是其原因。由于天然食品中维生素D3氧化产物（VDOPs）的含量低且在分析过程中可能转化为其他化合物，因此鉴定天然食品中的VDOPs具有挑战性。本研究的主要目的是找到一种在模拟全脂奶粉中提取VDOPs的方法，并使用LTQ离子阱、Q-Exactive轨道阱和三重四极杆质谱法鉴定这些产物。多级质谱（MS）光谱有助于为未知化合物及其碎片化提出合理的方案。随着组合文库的发展，质谱（MS）因其分析速度、灵敏度和准确性而成为一种重要的分析技术。本研究专注于通过将MS数据与计算机计算的MS碎片化途径相结合来确定一些VDOPs的碎片化规则。狄尔斯-阿尔德衍生化用于提高VDOPs鉴定的灵敏度和选择性。最后，使用电喷雾电离（+）-超高效液相色谱-串联质谱在多反应监测（MRM）模式下对经PTAD衍生化的已确认目标化合物进行分离和分析。图形摘要ᅟ。
