Metabolomics: an accurate mass GC-DART AccuTOF mass spectrometer for routine iden

代谢组学：用于常规 iden 的精确质量 GC-DART AccuTOF 质谱仪

• 批准号: 8052624
• 负责人: Oliver Fiehn
• 金额: $ 25.97万
• 依托单位: UNIVERSITY OF CALIFORNIA AT DAVIS
• 依托单位国家: 美国
• 财政年份: 2011
• 资助国家: 美国
• 起止时间: 2011-09-26 至 2012-09-25
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/8052624
• 关键词: Animal Model; Biochemical; Biology; Case-Control Studies; Chemicals; Collaborations; Communities; Core Facility; Data; Databases; Disease; Faculty; Funding; Gas Chromatography; Gases; Genetic; Genome; Grant; Human; Informatics; Injection of therapeutic agent; Ions; Isotopes; Laboratories; Maintenance; Metabolic; Methods; Molecular; Phenotype; Process; Publications; Publishing; Research; Research Personnel; Resolution; Robotics; Scheme; Services; System; Training; United States National Institutes of Health; Water; graduate student; instrument; instrumentation; ionization; mass spectrometer; metabolic abnormality assessment; metabolomics; operation; small molecule; tool

DESCRIPTION (provided by applicant): We are requesting funds for a Jeol DART accuTOF mass spectrometer system including a Gerstel MPS2 robotic autosampler with a cold injection system for GC separations. NIH funded investigators pursue metabolomic analyses in order to phenotype the metabolic consequences of genetic or disease alterations in humans and animal models. This research is compromised in Davis by the lack of instrumentation combining gas chromatographic separations with high mass accuracy and good sensitivity and isotope accuracy. In the Metabolomics Facility at UC Davis, over 22,000 low- resolution GC-TOF MS chromatograms have been screened for over 1,000 identified metabolites. Data were processed and stored in the unique BinBase database for comparison of peaks (including unknown compounds) across the 345 studies that were conducted so far. For the projects of the major users, these studies have yielded important data which led to a wide range of publications. We also found many compounds that were statistically significant in comparisons of case/control studies for which we need a good annotation scheme to perform biochemical assessments. The starting point for such annotations is to obtain accurate mass data for the molecular ions. We have compared our published results from soft ionization using chemical ionization in the (loaned) Waters GCTpremier to the alternative Jeol accuTOF mass spectrometer in conjunction with gas chromatography separation and DART ionization. Mass accuracy was acceptable with average mass errors of ¿3 mu, but isotope accuracy was even better in the Jeol instrument than determined by the GCTpremier MS. We are therefore convinced that the Jeol GC-DART accuTOF mass spectrometer will have a major impact on the major users of this grant and the greater UC Davis research community. The instrument will be placed in the Metabolomics Facility core unit of the UC Davis Genome Center, with dedicated and trained staff available to oversee the operation, maintenance and management of this instrument. The Metabolomics Facility has been established in 2005 to provide cutting-edge research and service in collaboration with campus faculty, specifically to advance analytical and informatics methods to study metabolic dysregulation involving small molecules. The interaction between service core unit and research unit and the integration of these laboratories to a single Facility enables a regular improvement of methods and tools used by all staff in the Facility. The UC Davis Genome Center Metabolomics Facility core unit provides these services to two campuses (Sacramento and Davis) which include over 800 biology faculty and more than 4,000 graduate students.

描述（由申请人提供）：我们正在申请Jeol DART accuTOF质谱仪系统的资金，该系统包括一个Gerstel MPS2自动进样器和一个用于GC分离的冷进样系统。美国国立卫生研究院资助的研究人员进行代谢组学分析，以便对人类和动物模型中遗传或疾病改变的代谢后果进行表型分析。戴维斯的这项研究受到了缺乏仪器的影响，这些仪器将气相色谱分离与高质量精度、良好的灵敏度和同位素精度结合起来。在加州大学戴维斯分校的代谢组学设施中，超过22,000张低分辨率GC-TOF MS色谱图已经筛选了超过1,000种已确定的代谢物。数据经过处理并存储在独特的BinBase数据库中，以便对迄今为止进行的345项研究中的峰（包括未知化合物）进行比较。对于主要用户的项目，这些研究提供了重要的数据，导致了广泛的出版物。我们还发现许多化合物在病例/对照研究的比较中具有统计显著性，因此我们需要一个良好的注释方案来进行生化评估。这种注释的出发点是获得分子离子的准确质量数据。我们已经比较了我们发表的软电离结果，使用（借来的）Waters GCTpremier中的化学电离与替代Jeol accuTOF质谱仪结合气相色谱分离和DART电离。质量精度可以接受，平均质量误差为¿3 mu，但Jeol仪器的同位素精度甚至比GCTpremier ms确定的更好。因此，我们相信Jeol GC-DART accuTOF质谱仪将对该资助的主要用户和更大的加州大学戴维斯分校研究社区产生重大影响。该仪器将被放置在加州大学戴维斯分校基因组中心的代谢组学设施核心单元，有专门和训练有素的工作人员可以监督该仪器的操作，维护和管理。代谢组学研究中心成立于2005年，与校园教师合作提供尖端的研究和服务，特别是推进分析和信息学方法来研究涉及小分子的代谢失调。服务核心单位和研究单位之间的相互作用，以及这些实验室整合到一个设施，使设施所有工作人员使用的方法和工具得以定期改进。加州大学戴维斯分校基因组中心代谢组学设施核心单元为两个校区（萨克拉门托和戴维斯）提供这些服务，其中包括800多名生物学教师和4000多名研究生。