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需要对生物样本进行复杂、详细和快速的分析，以识别和测量它们包含的数百或数千个小分子（代谢物）。这是通过在流动的流体中分离它们（液相色谱法），然后根据它们的质量和可能由此产生的任何片段的质量进行估计（因为它们形成了独特的“特征”）来完成的。传统上，主要的瓶颈是代谢物的鉴定，否则这些质谱峰或特征的出现可能是高度可重复的。一种叫做Orbitrap ID-X三联仪的仪器，连同一套集成的软件（我们将添加），提供了解决这个“光谱-结构”问题的真正机会。它可以应用于解决BBSRC职权范围内的多个问题，我们将举例说明几个问题。该提案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。该仪器虽然基于已建立的Orbitrap技术，但它既新颖又独特，目前在英国还没有这样的仪器。这将是“第一次”，因此我们已经从申请大学获得了可观的捐款。

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.