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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/z

Adduct

Actual Mass

Database Match

Formula

184.133

(M + H)+

183.126

Acetyltropine

C10H17NO2

332.278

(M + H)+

331.272

Sphingosine like molecule

C18H37NO4

202.143

(M + H)+

201.137

Capryloyglycine

C10H19NO3

316.283

(M + H)+

315.277

Dehydroxysphingosine

C18H37NO3

296.257

(M + H)+

295.251

(4E,8E,10E-d18:3) sphingosine

C18H33NO2

314.268

(M + H)+

313.262

Sphingosine like molecule

C18H35NO3

186.115

(M-H)−

187.121

(E)-2-Butenyl-4-methyl-threonine

C9H17NO3

201.1

(M + H)+

200.12

N-(5-Methyl-3-oxohexyl) alanine

C10H19N03

339.2682

(M + H)+

338.2610

Androstane

C24H34O