使用增强的LC-MS分离与五黄 phenylpropyl-functionalized 列和基于预测的MS/MS频谱注释的水友性代谢物的非目标分析
Masaru Sato1, Kazutaka Ikeda2,3
1Laboratory of Biomolecule Analysis, Department of Applied Genomics, Kazusa DNA Research Institute, Kisarazu, Chiba, Japan.
概括
这项研究引入了一种改进的液体色谱-质谱法 (LC-MS) 方法,使用五烯烯 (PFP) 列进行全面的水友性代谢物分析. 开发的注释策略增强了检测到的代谢物的生物相关性识别.
科学领域:
- 代谢学 代谢学 代谢学
- 分析化学 分析化学
- 生物化学 生化学
背景情况:
- 针对广泛的代谢组分析在生物学研究中至关重要,但在全面的水友性代谢物分析中面临挑战.
- 现有的分析和信息技术需要改进,以便对初级和二级水友性代谢产物进行无针对性分析.
研究的目的:
- 开发一种先进的染色学方法来分析水友性代谢物.
- 为各种水友性代谢物建立一个有效的注释方法.
主要方法:
- 研究了基于液态染色体质谱法 (LC-MS) 的代谢组分析的五黄烯基 (PFP) 柱的性能.
- 雇佣的MS/MS对代谢物结构数据库进行光谱相似性搜索,以进行峰值注释.
- 使用水/甲醇与酸和氨酸盐的优化移动相.
主要成果:
- 在LC-MS分析过程中,PFP列改善了水友性代谢物的保留和峰值形状.
- 在54%的标准化合物中,化学结构得到了正确的注释,超过70%的化合物被确定为生物相关的.
- 对番茄果实的分析检测并注释了658和458个正离子模式的峰值,分别是正离子和负离子模式.
结论:
- 结合LC-MS方法与PFP列和增强的注释有助于全面的水友性代谢组分析.
- 这种方法推进了在生物样本中研究各种水友性代谢物的研究.
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