A GC/FTMS for Ultra-High Accuracy Metabolite Identification

用于超高精度代谢物鉴定的 GC/FTMS

• 批准号: 8560146
• 负责人: JOSHUA J COON
• 金额: $ 22.26万
• 依托单位: UNIVERSITY OF WISCONSIN-MADISON
• 依托单位国家: 美国
• 财政年份: 2013
• 资助国家: 美国
• 起止时间: 2013-09-10 至 2016-05-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/8560146
• 关键词: Agreement; Calibration; Cell physiology; Cells; Chemicals; Computer software; Coupled; Data; Derivation procedure; Development; Disinfection; Electrons; Exhibits; Fourier Transform; Gas Chromatography; Hybrids; Industry; Ions; Measurement; Methods; Metric; Performance; Pesticides; Petroleum; Positioning Attribute; Resolution; Scanning; Source; System; Technology; Testing; Time; Toxic Environmental Substances; base; biological systems; design; instrument; instrumentation; ionization; mass analyzer; mass spectrometer; metabolomics; novel; pollutant; public health relevance; selected ion monitoring; small molecule

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. !

描述（由申请人提供）：我们建议基于最近推出的Orbitrap质量分析仪构建和开发一种先进的气相色谱/质谱仪（GC/MS）。通过将超高分辨率和质量精度测量与串联MS功能相结合，该系统将弥合小分子分析的基本技术差距。当标准的GC-电子碰撞（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质的识别;通过提供更高的质量精度、动态范围和附加的MS/MS功能，超越当前的高端GC-MS系统，如GC-飞行时间（TOF）。我们提供了初步的数据，利用一个标准的线性离子阱轨道阱混合证明实际的可行性和实用性。然而，该系统对于常规使用不是最佳的，并且尚未实现MS/MS与GC耦合的潜力。提出的GC-Orbitrap系统将对多个领域产生变革性影响，特别是代谢组学（存在于生物系统中的一组小分子，即，< 1000 Da），而且还可以进行环境毒素鉴定（例如，农药、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。!