A GC/FTMS for Ultra-High Accuracy Metabolite Identification

描述（由申请人提供）：我们建议在最近引进的Orbitrap质谱分析仪的基础上构建和开发一种能够使用的，尖端的气相色谱/质谱分析仪（GC/MS）。通过将超高分辨率和质量精度测量与串联质谱能力相结合，所提出的系统将弥合小分子分析的基本技术差距。当标准的气相色谱-电子冲击（EI）破碎和质谱匹配策略失败时，该仪器将极大地促进未知物种的鉴定；通过提供更高的质量精度，动态范围和附加的MS/MS功能，超越了当前的高端GC-MS系统，如gc - TOF。我们利用标准的线性离子阱Orbitrap混合物提供了初步数据，证明了实际的可行性和实用性。然而，该系统并不适合日常使用，并且尚未实现MS/MS与GC耦合的潜力。提议的GC-Orbitrap系统将对多个领域产生变革性影响，特别是代谢组学（生物系统中存在的一组小分子，即< 1000 Da），以及环境毒素鉴定（例如农药，持久性有机污染物，消毒副产物等），兴奋剂，石油和生物燃料分析等。！

DESCRIPTION (provided by applicant): We propose to construct and develop an enabling, cutting-edge gas-chromatography/mass spectrometer instrument (GC/MS) based on the recently introduced Orbitrap mass analyzer. By combining ultra-high resolving power and mass accuracy measurement with tandem MS capabilities, the proposed system will bridge a fundamental technology gap in small molecule analysis. This instrument will greatly facilitate identification of unknown species when standard GC-electron impact (EI) fragmentation and mass spectral matching strategies fail; surpassing current high end GC-MS systems such as GC-time-of-flight (TOF) - by offering greater mass accuracy, dynamic range, and added MS/MS capabilities. We provide preliminary data utilizing a standard linear ion trap Orbitrap hybrid demonstrating practical feasibility and utility. That system, however, is not optimal for routine use and has not yet realized the potential for MS/MS coupled to GC. The proposed GC-Orbitrap system will have a transformative impact on multiple fields, especially metabolomics (the set of small molecules present in a biological system, i.e., < 1000 Da), but also environmental toxin identification (e.g., pesticides, persistent organic pollutants, disinfection by-products, etc.), doping, petroleum and biofuel analysis, among many others. !