非目标LC/ESI/HRMS分析中的量化方法:一个实验室间比较.
Louise Malm1, Jaanus Liigand2, Reza Aalizadeh3,4
1Department of Materials and Environmental Chemistry, Stockholm University, Svante Arrhenius väg 16, 11418 Stockholm, Sweden.
Analytical chemistry
|October 1, 2024
概括
使用LC/ESI/HRMS对环境污染物的非目标选 (NTS) 由于可变的电离化而具有挑战性. 在多个实验室中,RandFor-IE方法证明了在没有真实标准的情况下进行量化时的最佳准确性.
科学领域:
- 环境化学环境化学
- 分析化学 分析化学
- 质谱测量质量谱测量
背景情况:
- 使用液体染色体喷射电离化高分辨率质谱法 (LC/ESI/HRMS) 的非目标查 (NTS) 对于识别环境污染物至关重要.
- 在没有真实的标准的情况下,LC/ESI/HRMS中的可变电离效率使准确的量化复杂化.
- 现有的在NTS中进行无标准定量化的方法缺乏对各种数据集和仪器进行全面的评估.
研究的目的:
- 评估没有真实标准的NTS的五种量化方法的准确性和性能可变性.
- 为了比较不同的量化策略,包括替代标准和预测的电离效率.
- 在多个实验室,仪器和水矩阵中评估这些方法的稳定性.
主要方法:
- 进行了涉及37个实验室和41个NTS方法的实验室间比较.
- 评估了五种量化方法:三个替代标准方法和两个预测的电离效率方法 (RandFor-IE和MLR-IE).
- 水样 (HPLC等级,水龙头,表面) 添加了45种化合物,并与41种校准仪一起分析.
主要成果:
- 运用RandFor-IE方法表现最好,平均预测误差为15×.
- 使用RandFor-IE方法,超过83%的化合物在10倍的误差范围内得到量化.
- 在不同的实验室,仪器和水矩阵复杂度中,RandFor-IE方法的性能保持稳定.
结论:
- 兰德For-IE方法提供了一个强大的,准确的方法来量化NTS中的环境污染物,而不需要真正的标准.
- 本研究提供了对量化策略的全面比较,突出了预测的电离效率方法的优点.
- 这些发现支持使用NTS在环境监测中更广泛地采用先进的量化技术.
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