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Fig. 3 | Journal of Cheminformatics

Fig. 3

From: Post-acquisition filtering of salt cluster artefacts for LC-MS based human metabolomic studies

Fig. 3

Significant metabolites (Wilcoxon test, FDR corrected P < 0.1, >2 fold change) remaining in the malnutrition dataset after a no filter, b mass defect filter only, c mass defect filter with retention time. Each point represents a single metabolite, colored according to their charge states, with salt clusters shown in red. Data was acquired by positive ESI. Singly-charged features encompass a variety of adducts including but not limited to [M + H], [M + Na], [M + K] and [M + NH4]

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