MUSERMET: MultiUSER equipment for small molecule identification in untargeted METabolomics

新成立的利物浦代谢组学研究中心的许多项目都要求对生物样本进行复杂、详细和快速的分析，以识别和测量它们所包含的数百或数千个小分子(代谢物)。这是通过在流动的溪流中分离它们(液相色谱)，然后根据它们的质量和由此可能产生的任何碎片的质量来估计它们的质量(因为这些形成了唯一的‘标记’)来实现的。传统上，一个主要的瓶颈是识别代谢物，这些代谢物代表的代谢物可能是这些质谱峰或特征出现的高度重复性。一种名为Orbitrap ID-X Tribrid的仪器，加上一个集成的软件套件(我们将在其中添加)，提供了一个真正的机会来解决这个“光谱到结构”的问题。它可以用来解决BBSRC职权范围内的多个问题，我们举了几个例子。这项提议的目的是为利物浦和其他地方的广泛用户社区确保这样一个工具。该仪器虽然基于成熟的Orbitrap技术，但既新颖又独特，目前在英国还没有这样的仪器。这将是“第一次”，因此，我们已从申请的大学获得了大量捐款。

Many of the projects in the newly formed Liverpool Centre for Metabolomics Research involve a requirement for the sophisticated, detailed, and RAPID analysis of biological samples to identify and measure the many hundreds or thousands of small molecules (metabolites) that they contain. This is done by separating them in a flowing stream (liquid chromatography) followed by their estimation on the basis of their masses and the masses of any fragments that may be produced therefrom (as these form a unique 'signature'). Classically, a major bottleneck has been the IDENTIFICATION of the metabolites represented by what may otherwise be highly reproducible times of the appearance of these mass spectral peaks or signatures. An instrument called the Orbitrap ID-X tribrid, together with an integrated suite of software (to which we shall add), offers a real chance of solving this 'spectrum-to-structure' problem. It may be applied to the solution of multiple problems within the BBSRC remit, and we illustrate several. The aim of this proposal is to secure such an instrument for an extensive User Community in Liverpool and elsewhere. The instrument, while based on established Orbitrap technology, is both novel and unique, and no such instrument is currently available within the UK. This would be a 'first', and we have accordingly secured a substantial contribution from the applicant Universities.