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. Author manuscript; available in PMC: 2019 Oct 16.
Published in final edited form as: Anal Chem. 2018 Oct 4;90(20):11863–11872. doi: 10.1021/acs.analchem.8b01881

Figure 4.

Figure 4.

Targeted MS-based approach using LC-MS2 for structural confirmation of the candidate m/z pairs/metabolites identified in the untargeted profiling approach. The identities of several analytes were confirmed by comparing their tR and MS2 fragmentation pattern to that of synthetic standards. While unknown metabolites were identified using their MS2 mass spectral fragmentation data and database search in METLIN when possible.