1. Comparisons of MS/MS ion fragmentation spectra derived from GNPS network annotations (see Table S4 posted at ftp://massive.ucsd.edu/MSV /updates/ _aedlund_ /other/) and from the GNPS library of benchmarked compounds.
Comparisons of MS/MS ion fragmentation spectra derived from GNPS network annotations (see Table S4 posted at ftp://massive.ucsd.edu/MSV /updates/ _aedlund_ /other/) and from the GNPS library of benchmarked compounds. The x axis shows fragment ion peaks (m/z), and the y axis shows the percentage of relative abundance MS/MS ion fragment intensity. (a) MS/MS ion spectra showing major matching ion peaks for platelet activating factor (PAF) (parent mass for growth extract spectrum, m/z to ; parent mass for GNPS bronze spectrum, PAF, m/z ) and the PAF precursor lyso-PAF (parent mass for growth extract spectrum, m/z ; parent mass for GNPS bronze spectrum lyso-PAF, m/z ). (b) MS/MS ion spectra showing major matching ion peaks for 1-methyladenosine (parent mass for growth extract spectrum, m/z to ; parent mass for GNPS bronze spectrum 1-methyladenosine, m/z ). (c) MS/MS ion spectra showing major matching ion peaks for N-acetylserotonin (parent mass for growth extract spectrum, m/z to ; parent mass for GNPS gold spectrum N-acetylserotonin, m/z ). (D) MS/MS ion spectra showing major matching ion peaks for 3-indolepropionic acid (parent mass for growth extract spectrum, m/z to ; parent mass for GNPS bronze spectrum 3-indolepropionic, m/z ).
Anna Edlund et al. mSystems 2017; doi: /mSystems