The parameters selected for the jobs were those available for a UPLC/UHD Q-TOF, which included: m/z tolerated deviation of 15 ppm, peak width from 5 to 20 s, signal/noise threshold of 6, mzdiff of 0.01, mzwid of 0.015, bw of 5, minfrac and minsamp of 0.5 and 1, respectively, a fold change of 1.5, p -value threshold of 0.05 for significant features and 0.01 for highly significant features.
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Untargeted LC-MS/MS Metabolomics Study on the MCF-7 Cell Line in the Presence of Valproic Acid.
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