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Elemental composition candidates were esti … Elemental composition candidates were estimated in DataAnalysis under the following conditions: adduct type, [M + H]+; tolerance, 1 mDa; number of nitrogen atoms in formula, ≥1; charge, +1; check rings plus double bonds, ≤80; filter H/C ration, ≤3. Finally, the molecular formulas of the 64 N-ions were determined from the mass shifts of the target N-ions from the non-labeled data to the 15N-labeled data. To assign the molecular formulas, the metabolite information was extracted by searching the word “Catharanthus” in the databases KNApSAcK WEB: Keyword Search Web Version 1.000.01 and Dictionary of Natural Products 25.1. 1 and Dictionary of Natural Products 25.1.
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