Many natural products have biological effects on humans and animals. Poisoning caused by natural products is common in clinical toxicology cases. Liquid chromatography–high-resolution mass spectrometry (LC–HRMS) has recently emerged as a powerful analytical tool for large-scale target screening, and the application of LC–HRMS can be expanded to evaluate potential natural product poisoning in clinical cases. We report the construction of an LC–HRMS spectral library of 95 natural products commonly implicated in poisoning, and an LC–HRMS assay was validated for definitive detection of natural products in urine and serum samples. For each compound, the limit of detection was determined in the analytical range of 1.0–1,000 ng/mL for urine samples and 0.50–500 ng/mL for serum samples. The mean (SD) values of matrix effects for urine samples and that for serum samples were both −21% (22%), and the mean (SD) value of recovery for serum samples was 89% (26%). The LC–HRMS assay was successfully applied to identify natural products in clinical cases. The spectral library parameters of each compound are provided in the supplementary material to aid other laboratories in identification of unknown natural toxins and development of similar methods on different mass spectrometry platforms.

中文翻译：

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建立用于筛选有毒天然产物的高分辨率液相色谱-质谱谱库

许多天然产物对人类和动物都有生物学效应。由天然产物引起的中毒在临床毒理学病例中很常见。液相色谱-高分辨质谱 (LC-HRMS) 最近已成为大规模目标筛选的强大分析工具，LC-HRMS 的应用可以扩展到评估临床病例中潜在的天然产物中毒。我们报告了 95 种通常与中毒有关的天然产物的 LC-HRMS 光谱库的构建，并验证了 LC-HRMS 测定法可明确检测尿液和血清样品中的天然产物。对于每种化合物，检测限在尿液样品的 1.0–1,000 ng/mL 和血清样品的 0.50–500 ng/mL 的分析范围内确定。尿液样本和血清样本的基质效应平均 (SD) 值为 -21% (22%)，血清样本的回收率平均 (SD) 值为 89% (26%)。LC-HRMS 法成功应用于临床病例中天然产物的鉴定。补充材料中提供了每种化合物的光谱库参数，以帮助其他实验室识别未知的天然毒素并在不同的质谱平台上开发类似的方法。