We have spatial metabolomics data, and the output is molecule formula with ion (e.g., C24H50NO7PNa+Na, C24H50NO7PK+K). Do we need to merge these molecules to one based on their neutral molecule by removing ions? Can we just merge by summing up the intensity values?
Hi Shiqing,
It really depends what are you going to do with MetaboAnalyst. If you want to perform statistical analysis, you need to make sure the feature name are unique. If you want to foucus on the parental ions, you can merge them or just keep one with the highest sum intensity.
Hope this helps,
Bests,
Zhiqiang
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