使用离子迁移谱-质谱法筛选环境毒物的参考文库。

IF 6.2 2区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY
Devin Teri, Noor A Aly, James N Dodds, Jian Zhang, Paul A Thiessen, Evan E Bolton, Kara M Joseph, Antony J Williams, Emma L Schymanski, Ivan Rusyn, Erin S Baker
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引用次数: 0

摘要

由于与化学品接触有关的潜在健康风险,迅速评估环境中和体内已有的外来生物分子是必要的。气相色谱或液相色谱与质谱(GC-MS或LC-MS)耦合的靶向分析方法通常用于当前的暴露评估。虽然这些方法被认为是暴露分析的金标准,但它们通常需要多个样品制备步骤和分析时间。这些限制导致人们对使用离子迁移率光谱法和质谱法(IMS-MS)产生了不断发展的兴趣,无论是否使用色谱法,都可以提高通量和注释信心。为了增加IMS-MS信息在暴露研究中的可用性,我们利用漂移管IMS-MS评估了来自环境保护局毒性预报(ToxCast)计划的4685种异种化学标准,包括农药、工业化学品、药品、消费品以及全氟烷基和多氟烷基物质。碰撞截面(CCS)和m/z值检测了2144种独特的化学物质,具有高置信度和重复性(实验室内误差≤1%,实验室间误差≤2%),得到4004种[m + H]+、[m +Na]+、[m -H]-和[m]•+离子类型的值。因此,这个多维数据库支持对更大范围的环境污染物进行可疑筛查,加快暴露反应时间,并评估外源性疾病之间的联系。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Reference library for suspect screening of environmental toxicants using ion mobility spectrometry-mass spectrometry.

Reference library for suspect screening of environmental toxicants using ion mobility spectrometry-mass spectrometry.

Reference library for suspect screening of environmental toxicants using ion mobility spectrometry-mass spectrometry.

Reference library for suspect screening of environmental toxicants using ion mobility spectrometry-mass spectrometry.

Due to the potential health risks related to chemical exposure, rapidly assessing xenobiotic molecules in the environment and those already in the body is imperative. Targeted analytical methods coupling either gas or liquid chromatography with mass spectrometry (GC-MS or LC-MS) are commonly utilized in current exposure assessments. While these methods are accepted as the gold standard for exposure analyses, they often require multiple sample preparation steps and analysis times > 30 min. These limitations have resulted in an evolving interest in using ion mobility spectrometry and MS (IMS-MS), either with or without chromatography, to improve throughput and annotation confidence. To increase IMS-MS information availability for exposure studies, here we utilized drift tube IMS-MS to evaluate 4685 xenobiotic chemical standards from the Environmental Protection Agency Toxicity Forecaster (ToxCast) programme, including pesticides, industrial chemicals, pharmaceuticals, consumer products, and per- and polyfluoroalkyl substances. Collision cross section (CCS) and m/z values were detected for 2144 unique chemicals with high confidence and reproducibility (≤1% error intra-laboratory and ≤2% inter-laboratory), resulting in values for 4004 [M + H]+, [M+Na]+, [M-H]- and [M]•+ ion types. This multidimensional database therefore supports suspect screening for a wider range of environmental contaminants, faster exposure response times, and assessments of xenobiotic-disease connections.

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来源期刊
Communications Chemistry
Communications Chemistry Chemistry-General Chemistry
CiteScore
7.70
自引率
1.70%
发文量
146
审稿时长
13 weeks
期刊介绍: Communications Chemistry is an open access journal from Nature Research publishing high-quality research, reviews and commentary in all areas of the chemical sciences. Research papers published by the journal represent significant advances bringing new chemical insight to a specialized area of research. We also aim to provide a community forum for issues of importance to all chemists, regardless of sub-discipline.
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