Development of versatile isotopic labeling reagents for profiling the amine submetabolome by liquid chromatography-mass spectrometry.

摘要: Abstract Metabolomic profiling involves relative quantification of metabolites in comparative samples and identification the significant that differentiate different groups (e.g., diseased vs. controls). Chemical isotope labeling (CIL) liquid chromatography–mass spectrometry (LC–MS) is an enabling technique can provide improved metabolome coverage metabolite quantification. However, chemical labeled still be a challenge. In this work, new set isotopic reagents offering versatile properties to enhance both detection are described. They were prepared by glycine molecule (or its counterpart) aromatic acid with varying structures through simple three-step synthesis route. addition relatively low costs synthesizing reagents, reaction route allows adjusting reagent property accordance desired application objective. To date, two 4-dimethylaminobenzoylamido acetic N-hydroxylsuccinimide ester (DBAA-NHS) 4-methoxybenzoylamido (MBAA-NHS), for amine-containing (i.e., amine submetabolome) have been synthesized. The conditions related LC–MS method optimized. We demonstrate DBAA increase detectability because presence electrospray ionization (ESI)-active dimethylaminobenzoyl group. On other hand, MBAA fragmented MS/MS pseudo MS3 experiments structural information on interest. Thus, these tailored quantitative submetabolome as well metabolomics applications.