BACKGROUNDS Polymers, widely existing in food or dietary materials, have been attracting researchers, facing challenges, and needing effective strategies on targeted characterization in complex matrixes. METHODS A modified data filtering strategy (including locating with drift time and m/z ranges, multiple mass defect filtering, validating MS information, and evaluating MS/MS spectra) was developed and applied for procyanidins in the grape seed extracts (GSE) using drift tube ion mobility-mass spectrometry. The procyanidin ions' trendlines were predicted by multi-model regression. Their collision cross-sections (CCSs) were calculated using single-field methods. RESULTS AND DISCUSSION Totally, 769 CCSs belonging to 686 procyanidins with polymer degrees at 1-15 were characterized. The exponent regression was the most reasonable model (r2 ≥ 0.9379) to reveal the trendlines. The change tendency of CCSs with their polymer degrees, charge states, and linkage types were investigated. CONCLUSION This study provided an innovative strategy for targeted characterization of polymers in complex matrixes.

中文翻译：

---

一种改进的数据过滤策略，用于使用漂移管离子迁移率质谱法对复杂基质中的聚合物进行目标表征：在分析葡萄籽提取物中的原花青素中的应用。

背景技术广泛存在于食品或饮食材料中的聚合物已经吸引了研究人员，面临挑战，并且需要有效的策略来对复杂基质进行目标表征。方法开发了一种改进的数据过滤策略（包括使用漂移时间和m / z范围进行定位，多重质量缺陷过滤，验证MS信息以及评估MS / MS谱图），并将其应用于使用漂移的葡萄籽提取物中的原花青素管离子迁移率质谱。通过多模型回归预测原花青素离子的趋势线。使用单场方法计算了它们的碰撞截面（CCS）。结果与讨论共鉴定了686个花青素，共769个CCS，聚合物度为1-15。指数回归是最合理的模型（r2≥0。9379）以显示趋势线。研究了CCSs随聚合物度，电荷态和键类型的变化趋势。结论这项研究为靶向表征复杂基质中的聚合物提供了创新策略。