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Table 2 Table of differentiating metabolites by VIP score between native and allograft BAL samples (matched in Metlin at 10PPM or by fragmentation pattern of the ion)

From: Differences in airway microbiome and metabolome of single lung transplant recipients

Input m/zAdductActual MassDatabase MatchFormula
184.133(M + H)+183.126AcetyltropineC10H17NO2
332.278(M + H)+331.272Sphingosine like moleculeC18H37NO4
202.143(M + H)+201.137CapryloyglycineC10H19NO3
316.283(M + H)+315.277DehydroxysphingosineC18H37NO3
296.257(M + H)+295.251(4E,8E,10E-d18:3) sphingosineC18H33NO2
314.268(M + H)+313.262Sphingosine like moleculeC18H35NO3
201.1(M + H)+200.12N-(5-Methyl-3-oxohexyl) alanineC10H19N03
339.2682(M + H)+338.2610AndrostaneC24H34O