Open access ESI-TOF/MS and GC/MS for organic chemists

描述（由申请人提供）：堪萨斯大学质谱实验室（MSL）提出建立一个开放获取质谱系统，能够支持有机化合物合成的研究。用户将是NIH资助的研究人员，主要是在化学，药物化学和药物化学部门。需要支助购买两个系统，一个GC/MS和一个ESITOF仪器，每个仪器都有自动进样功能。电离方法将是在具有四极杆分析器的GC/MS仪器上的El或CI和具有飞行时间分析器的电喷雾。其目的是提供一套仪器，研究人员可以很容易地使用，提出一个自动注射器小瓶中的样品，登录，选择一个实验的“基本”描述，然后启动光谱采集。结果将是自动打印的光谱，呈现从样品中检测到的主要离子。从样品引入到光谱的时间为分钟。光谱将以电子方式保存，以供以后审查，工作站将可用于重新分析文件。在化学、药物化学和药物化学中有18个活跃的合成组。其中七种活性最高的化合物在样品中呈现出广泛的结构多样性，从低分子量中间体到相当复杂的药物（分子量600-1100），再到配位化合物、合成肽和偶尔修饰的蛋白质。这些仪器将由一个成功的核心设施的长期工作人员管理。创建这种能力的主要动机有四个方面：1）在不增加工作人员的情况下增加样品吞吐量; 2）通过自动进样减少周转时间; 3）降低研究人员的每次分析成本; 4）更换23年的旧仪器。增加新的仪器对保持研究环境最近的持续增长很重要。

DESCRIPTION (provided by applicant): The University of Kansas Mass Spectrometry Laboratory (MSL) proposes to build an open access mass spectrometry system capable of supporting research in the synthesis of organic compounds. Users would be NIH-funded researchers primarily in the departments of Chemistry, Medicinal Chemistry and Pharmaceutical Chemistry. Support is requested for the purchase of two systems, a GC/MS and an ESITOF instrument, each with automated sample introduction. The ionization methods would be El or CI on a GC/MS instrument with a quadrupole analyzer and electrospray with a Time of Flight analyzer. The intention is to make available a set of instruments that an investigator could easily use by presenting a sample in an auto-injector vial, logging in, selecting a "basic" description of an experiment then launching the spectral acquisition. The result would be a spectrum, automatically printed, presenting the major ions detected from the sample. Time from sample introduction to spectra is minutes. Spectra will be saved electronically for later review and a workstation will be available to re-analyze files. There are 18 active synthetic groups in Chemistry, Medicinal Chemistry and Pharmaceutical Chemistry. Seven of the most active will present a broad structural diversity among samples ranging from low molecular weight intermediates through reasonably complex drugs (mw 600-1100) to coordination compounds, synthetic peptides and the occasional modified protein. The instruments will be managed by the permanent staff of a successful core facility. The primary motivations to create this capability are four fold: 1) increase sample through-put capacity without adding staff; 2) decrease turnaround time with automatic sample introduction; 3) lower per analysis cost to investigators and; 4) replace a 23 year old instrument. The addition of new instruments is important to maintain recent sustained growth in the research environment.