Skip to main content
. Author manuscript; available in PMC: 2016 Jan 1.
Published in final edited form as: J Am Soc Mass Spectrom. 2014 Oct 17;26(1):149–158. doi: 10.1007/s13361-014-1010-0

Figure 3. MS/MS data confirmed with MetFrag.

Figure 3

Representative MS/MS spectra of the identified “metabolites of interest” and the molecular structures of the matched fragments. Blue indicates the parent ion; green indicates MS/MS peaks that matched the in silico fragmentation in MetFrag; and red indicates the experimental peaks that did not match the in silico fragmentation.