what to do with contaminats (metabolites of external source) in metabolomics data
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16 months ago
theodore ▴ 90

Hi all, I am working with some metabolomics data derived from scin tissue. To excise the sample, the area was sterilized and mild anestetics was introduced. Standard proceedure was followed to extract the metabolites followed by LC/MS. A semi-untarget type approach was used and 300+ metabolites were identified. Of those some were of the *caine anestetics family that are irrelevent to the system and I would like to exclude them from the analysis. The concetntration of those is so high that when I plot the PC2 and PC2, PC1 is mainly influenced by those anesthetics and all type of analysis is probably

what is the best approach? A. remove them before data normalization B. remove them after normalization C. account for them in the analysis in a way that completely eludes me D. exclude them from peak integration (if possible, for example at the tracefinder stage)

Thank you in advance for your recommendation

normalisation metabolomics • 374 views
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