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. Author manuscript; available in PMC: 2020 Mar 10.
Published in final edited form as: Anal Chem. 2016 Aug 4;88(16):7946–7958. doi: 10.1021/acs.analchem.6b00770

Figure 7.

Figure 7.

Two examples of compound identification by MS/MS matching in human plasma. MS-FINDER found two new compounds that are absent from MS/MS libraries: (a) N-phenylacetyl-L-glutamate and (b) N6,N6,N6-trimethyl-L-lysine. Left panels: precursor MS1 and fragment ion MS/MS spectra. Middle panels: formula prediction and structure search results for these spectra, sorted by the MS-FINDER score. Right panels: The experimental MS/MS spectra from human plasma and purchased authentic standards are shown in blue and red, respectively.