Fig. 2: Composition of the nearest neighbor suspect spectral library. | Nature Communications

Fig. 2: Composition of the nearest neighbor suspect spectral library.

From: Open access repository-scale propagated nearest neighbor suspect spectral library for untargeted metabolomics

Fig. 2

a The composition of suspects that exclusively exist of CH, CHO, CHNO, or contain P or S compared to the reference libraries. b Repeated occurrences of the suspects across datasets and files (i.e., individual LC-MS runs). c Frequently observed mass offsets (delta masses between pairs of spectra) associated with the suspect library. d Frequently observed mass offsets around a nominal mass of −80 Da. Source data are provided as a Source Data file.

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