Department of Chemistry, Memorial University of Newfoundland and Labrador, St. John's, NL A1C 5S7, Canada.
Department of Chemistry, The Pennsylvania State University, University Park, State College, PA 16802, USA.
Molecules. 2021 Nov 16;26(22):6911. doi: 10.3390/molecules26226911.
Gas chromatography-high-resolution mass spectrometry (GC-HRMS) is a powerful nontargeted screening technique that promises to accelerate the identification of environmental pollutants. Currently, most GC-HRMS instruments are equipped with electron ionization (EI), but atmospheric pressure ionization (API) ion sources have attracted renewed interest because: (i) collisional cooling at atmospheric pressure minimizes fragmentation, resulting in an increased yield of molecular ions for elemental composition determination and improved detection limits; (ii) a wide range of sophisticated tandem (ion mobility) mass spectrometers can be easily adapted for operation with GC-API; and (iii) the conditions of an atmospheric pressure ion source can promote structure diagnostic ion-molecule reactions that are otherwise difficult to perform using conventional GC-MS instrumentation. This literature review addresses the merits of GC-API for nontargeted screening while summarizing recent applications using various GC-API techniques. One perceived drawback of GC-API is the paucity of spectral libraries that can be used to guide structure elucidation. Herein, novel data acquisition, deconvolution and spectral prediction tools will be reviewed. With continued development, it is anticipated that API may eventually supplant EI as the de facto GC-MS ion source used to identify unknowns.
气相色谱-高分辨率质谱(GC-HRMS)是一种强大的非靶向筛选技术,有望加速环境污染物的鉴定。目前,大多数 GC-HRMS 仪器都配备有电子电离(EI),但大气压电离(API)离子源重新引起了人们的兴趣,因为:(i)大气压下的碰撞冷却最小化了碎片化,从而增加了用于元素组成测定的分子离子的产率,并提高了检测限;(ii)广泛的复杂串联(离子迁移)质谱仪可以很容易地适应与 GC-API 的操作;(iii)大气压离子源的条件可以促进结构诊断离子-分子反应,而这些反应在使用传统的 GC-MS 仪器时很难进行。本文综述了 GC-API 用于非靶向筛选的优点,并总结了最近使用各种 GC-API 技术的应用。GC-API 的一个被认为的缺点是可用于指导结构阐明的光谱库匮乏。本文将综述新颖的数据采集、去卷积和光谱预测工具。随着不断的发展,预计 API 最终可能会取代 EI,成为用于鉴定未知物的事实上的 GC-MS 离子源。