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Raw files were converted to mzXML with msconvert 40 , extraction of LC-MS peak signals was conducted with the Centwave algorithm in XCMS, alignment of samples and filtering of artifacts with mzMatch, and additional data filtering and metabolite identification was performed in IDEOM (Supp Data Sheet 3)

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Scientific References Jzwiak, M., Bauer, M., Kamysz, W., & Kleczkowska, P

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