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. Author manuscript; available in PMC: 2020 Apr 1.
Published in final edited form as: J Am Soc Mass Spectrom. 2019 Feb 12;30(4):659–668. doi: 10.1007/s13361-018-02125-y

Figure 3.

Figure 3.

Mapping Fragmentation of α-Hydroxy Fatty Acid Ceramides. (a) Original experimental (dark grey) and in-silico (light grey) MS/MS spectra for Cer[AS] d18:1_24:0 [M-H]−. (b) All annotation spectral peaks for sphingoid neutral loss (turquoise), sphingoid fragment (orange), alkyl neutral loss (green), alkyl fragment (magenta), fragment (blue), and neutral loss (purple) generated from 8 unique Cer[AS] [M+Ac-H]− species. (c) Generated Cer[AS] d18:1_24:0 [M-H]− spectra after addition of annotation spectral peaks found in at least 75% of annotation spectra for each rule type. (d) Original experimental (dark grey) and generated in-silico (colored) spectra for Cer[AS] d18:1_24:0 [M-H]−.