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. Author manuscript; available in PMC: 2024 Oct 21.
Published in final edited form as: Anal Chem. 2022 Feb 4;94(6):2732–2739. doi: 10.1021/acs.analchem.1c03272

Figure 1.

Figure 1.

CoA-BLAST library generation workflow, biological analysis workflow, and an example of MS/MS library identification of isobutyryl-CoA in mouse liver by the CoA-Blast in silico library in positive ionization mode. The experimental spectrum is in blue (top spectrum), and the library spectrum is in red (bottom spectrum), with structure annotations for all major fragments in the spectrum.