One of the aims of untargeted metabolomics is searching for selective biomarkers of different pathophysiological conditions. Modified amino acids originated from the posttranslational modification of proteins play a key role as potential biomarkers; however, they are very often still classified as unknown after metabolite annotation. We have developed an analytical workflow for the targeted screening of these compounds using CE-ESI-MS. The workflow is based on the in-source fragmentation of molecules that produces diagnostic ions that we have collected in an open-source library. In this chapter, we describe in detail the strategy for the targeted screening of modified amino acids (MAAs), using as an example l-proline and its modified derivatives. We illustrate the strategy with two case studies in human plasma.
CITATION STYLE
Mamani-Huanca, M., Gradillas, A., López-Gonzálvez, Á., & Barbas, C. (2022). In-Source Fragmentation for the Identification of Compounds by CE-ESI-TOF in Human Plasma. l-Proline as Case Study. In Methods in Molecular Biology (Vol. 2531, pp. 185–202). Humana Press Inc. https://doi.org/10.1007/978-1-0716-2493-7_12
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