Radioactive labels were commonly used to trace the radioactive compounds and their metabolites in HPLC analyses. In mass spectral analysis of compounds and metabolites, heteroatoms such as the Cl and Br have unique isotopic patterns that could help to quickly identify the parent and its metabolite ions. However, many compounds in discovery do not have radiolabel and do not contain any of the heteroatoms, so the parent and metabolite ion peaks are not easily identifiable in the total ion chromatograms (TIC) of the high-resolution mass spectra (HRMS).  This presentation summarizes a simple application of multiple mass defect filters (MDF) to create the MDF TIC file. The process facilitates the identification of ion peaks relevant to parent and its metabolites from the matrix peak noises in TIC, and for their structure elucidations.

Application of multiple mass defect filters to improve the quality of total ion chromatograph in high resolution MS analysis

2019 Fall National Meeting

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