Fig. 5: MSn spectral tree for protonated citrulline with structural annotations. | Communications Chemistry

Fig. 5: MSn spectral tree for protonated citrulline with structural annotations.

From: A spectroscopic test suggests that fragment ion structure annotations in MS/MS libraries are frequently incorrect

Fig. 5

Structures from the databases are contrasted against spectroscopically identified structures. Structures in brackets are tentative. * For METLIN structures, a proton must be placed at one of the carbon atoms to obtain an ion of the correct m/z value. ** Annotations in this column are based on the spectroscopic analyses shown in Supplementary Figs. S7–S15. *** A further analysis of the m/z 116 product ion from citrulline and from arginine is presented in Supplementary Fig. S34 and Supplementary Note 1.

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