DS Description
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All data were calibrated with m/z 235.1804 … All data were calibrated with m/z 235.1804 (lidcaine, [M + H]+). After noise reduction (<100000 counts), the N-ion candidates were extracted using the theoretical mass and signal intensity differences between the N-ions and their 15N-substituted counterparts (0.9970 ± 0.001 Da and 0.36 ± 1.00%, respectively). Elemental composition candidates were estimated in DataAnalysis under the following conditions: adduct type, [M + H]+; tolerance, 4 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 65 N-ions were determined from the mass shifts of the N-ions from the non-labeled data to the 15N-labeled data. non-labeled data to the 15N-labeled data.
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