In the present work, the potential for rapid, targeted analysis of hydroxylated metabolites of polychlorinated biphenyls (OH-PCBs) in diluted human blood plasma using liquid chromatography coupled with trapped ion mobility spectrometry and TOF high resolution mass spectrometry (LC-TIMS-TOF MS) was evaluated. Experimental OH-PCB collisional cross section (CCSN2) and gas-phase candidate structures (<3% error) are reported for the first time and used, in addition to the LC retention time and accurate m/z, as OH-PCB identification features in order to increase the detection selectivity. The proposed LC-TIMS-TOF MS workflow combines a "dilute-and-shoot" sample preparation strategy, a robust liquid chromatography step, a high-resolving power mobility separation (R ~ 150-250) and high-resolution mass spectrometry (R ~ 30-40k) for the separation, identification and quantification of common OH-PCB isomers with limits of detection comparable to traditional workflows (e.g., LOD and LOQ of ~10 pg/mL and ~50 pg/mL, respectively). The higher selectivity and low detection limits provides multiple advantages compared to current methodologies that typically require long, labor-intensive preparation and/or derivatization steps prior to gas or liquid chromatography-mass spectrometry.

中文翻译：

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使用 LC-TIMS-TOF MS 发现和有针对性地监测血浆中的多氯联苯代谢物

在目前的工作中，使用液相色谱结合捕获离子迁移谱和 TOF 高分辨率质谱 (LC-TIMS-TOF MS) 对稀释的人血浆中多氯联苯 (OH-PCB) 的羟基化代谢物进行快速、靶向分析的潜力) 进行了评估。首次报告并使用了实验性 OH-PCB 碰撞截面 (CCSN2) 和气相候选结构（误差 <3%），以及 LC 保留时间和准确的 m/z，作为 OH-PCB 识别特征以提高检测选择性。建议的 LC-TIMS-TOF MS 工作流程结合了“稀释和喷射”样品制备策略、强大的液相色谱步骤、用于分离、鉴定和定量常见 OH-PCB 异构体的高分辨能力迁移分离 (R ~ 150-250) 和高分辨率质谱 (R ~ 30-40k)，其检测限与传统工作流程（例如、LOD 和 LOQ 分别为 ~10 pg/mL 和 ~50 pg/mL）。与通常需要在气相或液相色谱-质谱分析之前进行长时间、劳动密集型制备和/或衍生化步骤的当前方法相比，更高的选择性和低检测限提供了多种优势。