DEVELOPMENT OF FAB/MS-MS FOR ENVIRONMENTAL HEALTH SCIENCES

环境健康科学 FAB/MS-MS 的开发

• 批准号: 3941541
• 负责人: K B TOMER
• 金额: --
• 依托单位: NATIONAL INSTITUTE OF ENVIRONMENTAL HEALTH SCIENCES
• 依托单位国家: 美国
• 资助国家: 美国
• 起止时间: 至
• 项目状态: 未结题
• 来源: https://reporter.nih.gov/project-details/3941541
• 关键词: crosslink; fatty acids; glucuronides; mass spectrometry; phospholipids; stereoisomer

Fast atom bombardment (FAB) has become one of the most widely utilized techniques for obtaining mass spectra of thermally labile and/or very polar substances. In conjunction with tandem MS (MS-MS), the fragmentation information so vital for structure elucidation can be obtained from ions normally not observed to fragment and from mixtures where the parent ion-daughter ion relationships are not known. This project involves three areas: 1) instrumental developments in MS-MS; 2) determination of underlying structural features which influence the spectra obtained so that data from unknowns can more easily be used for structure elucidation; and 3) application of FAB/MS and FAB/MS-MS for structure elucidation. As part of the instrumental development we have extended our present instrument capabilities from MS-MS to MS-MS-MS-MS (MS4). With MS4, the consecutive fragmentations of a molecule can be followed. In the determination of structural effects on MS-MS data, we have investigated the effects various N- and C-terminal amino acids have on the data and the utility of MS-MS spectra of (M+Na)+ ions of peptides for sequencing peptides. We have applied FAB/MS and FAB/MS-MS to the structure elucidation of chemically modified analogs of Leu-enkephalin in which a CH2S moiety replaces as amide linkage, to the structure elucidation of phospholipids containing unusual fatty acids and head groups, to the differentiation of steroid glucuronide stereoisomers by MS-MS, and to the characterization of cross- linked peptides.

快原子轰击（FAB）已成为最广泛的 用于获得热不稳定的 和/或极性很强的物质。 结合串联MS （MS-MS），碎片化信息对结构至关重要 可以从通常观察不到的离子中得到澄清， 碎片和混合物，其中母离子-子离子 关系不明。 该项目涉及三个方面：1）工具开发 在MS-MS中; 2）确定潜在的结构特征 这会影响所获得的光谱， 可以更容易地用于结构解析;和3） FAB/MS和FAB/MS-MS用于结构解析。 作为工具开发的一部分，我们扩展了我们的 提供从MS-MS到MS-MS-MS-MS的仪器功能 （MS4）。 对于MS 4，分子的连续碎片 可以跟踪。 在确定结构对MS-MS数据的影响时，我们 已经研究了各种N-和C-末端氨基 酸对数据和MS-MS谱的效用的影响， 用于肽测序的肽的（M+Na）+离子。 我们应用FAB/MS和FAB/MS-MS对该结构进行了分析 化学修饰的亮氨酸脑啡肽类似物的阐明 其中CH 2S部分作为酰胺键取代， 含有不常见脂肪酸的磷脂的说明， 头基团，以区分类固醇葡糖苷酸 立体异构体的MS-MS，并表征交叉- 连接肽。