Figure 1.

Graphical representation of the described data analysis approach, starting from top left following the arrows to the bottom right: untargeted mass chromatogram, fragmentation data acquisition, HMDB annotation and fragment annotation in MAGMa to find specific mass fragments and neutral losses for acylcarnitines, mass fragmentation filter and the structure of carnitine, extracted ion chromatogram and neutral loss trace for the acylcarnitine filter, extracted ion chromatogram and spectrum for a detected acylcarnitine, and an example acylcarnitine (conjugate of sebabic acid).