Fig. 10: Number of correct and incorrect MS/MS structure annotations. | Communications Chemistry

Fig. 10: Number of correct and incorrect MS/MS structure annotations.

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

Fig. 10

Summary of correct/incorrect MSn structure annotations as verified by IR ion spectroscopy in this work; the large majority of annotations in major MS/MS libraries are likely incorrect. Additional spectroscopically established CID product ion structures collected from literature confirm this trend (see Supplementary Figs. S67–S89).

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