Fig. 3: MS2 spectral tree for protonated α-amino-adipic acid with structural annotations. | Communications Chemistry

Fig. 3: MS2 spectral tree for protonated α-amino-adipic acid with structural annotations.

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

Fig. 3

Structures derived in this work from the IR spectra of the fragment ions are compared with those listed in three databases. * For the METLIN structures, a proton must be added to obtain an ion of the correct m/z value. ** Annotations in this column are based on the spectroscopic analysis shown in Supplementary Figs. S1–S4.

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