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质谱仪的基础上，构建和开发一种能够实现的、尖端的气相色谱/质谱仪(GC/MS)。通过将超高分辨率和质量精度测量与串联MS能力相结合，该系统将在小分子分析方面弥合基本的技术差距。当标准的GC-电子撞击(EI)裂解和质谱匹配策略失败时，该仪器将极大地促进未知物种的识别；通过提供更高的质量精度、动态范围和增加的MS/MS功能，该仪器超越了目前的高端GC-MS系统，如GC-飞行时间(TOF)。我们提供了一个标准的线性离子陷阱轨道诱捕杂化的初步数据，证明了实际的可行性和实用性。然而，该系统对于常规使用并不是最佳的，而且还没有意识到MS/MS与GC联用的潜力。拟议的GC-Orbitrap系统将对多个领域产生革命性影响，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，杀虫剂、持久性有机污染物、消毒副产品等)、兴奋剂、石油和生物燃料分析等许多领域。好了！

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. !