Carbohydrates play essential roles in a variety of biological processes that are dictated by their structures. However, characterization of carbohydrate structures remains extremely difficult and generally unsolved. In this work, a de novo mass spectrometry-based workflow was developed to isolate and structurally elucidate oligosaccharides to provide sequence, monosaccharide compositions, and glycosidic linkage positions. The approach employs liquid chromatography-tandem mass spectrometry (LC-MS/MS)-based methods in a 3-dimensional concept: one high performance liquid chromatography-quadrupole time-of-flight mass spectrometry (HPLC-QTOF MS) analysis for oligosaccharide sequencing and two ultra high performance liquid chromatography-triple quadrupole mass spectrometry (UHPLC-QqQ MS) analyses on fractionated oligosaccharides to determine their monosaccharides and linkages compositions. The workflow was validated by applying the procedure to maltooligosaccharide standards. The approach was then used to determine the structures of oligosaccharides derived from polysaccharide standards and whole food products. The integrated LC-MS workflow will reveal the in-depth structures of oligosaccharides.

中文翻译：

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多糖寡糖从头结构解析的基于多维质谱的工作流程。

碳水化合物在由其结构决定的各种生物过程中发挥着重要作用。然而，碳水化合物结构的表征仍然非常困难并且通常没有解决。在这项工作中，开发了一种基于从头质谱的工作流程来分离和结构阐明寡糖，以提供序列、单糖组成和糖苷键位置。该方法在 3 维概念中采用基于液相色谱-串联质谱 (LC-MS/MS) 的方法：一种用于寡糖测序的高效液相色谱-四极杆飞行时间质谱 (HPLC-QTOF MS) 分析和两次超高效液相色谱-三重四极杆质谱 (UHPLC-QqQ MS) 分析对分级寡糖以确定其单糖和链接组成。通过将该程序应用于麦芽寡糖标准品来验证工作流程。然后使用该方法确定源自多糖标准和全食品的寡糖的结构。集成的 LC-MS 工作流程将揭示寡糖的深入结构。然后使用该方法确定源自多糖标准和全食品的寡糖的结构。集成的 LC-MS 工作流程将揭示寡糖的深入结构。然后使用该方法确定源自多糖标准和全食品的寡糖的结构。集成的 LC-MS 工作流程将揭示寡糖的深入结构。