| DS Description
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The data matrix was aligned with MassLynx … The data matrix was aligned with MassLynx version 4.1 (Waters). After alignment, deisotoping, and cutoff of low-intensity peaks (fewer than 500 counts), intensity values of the remaining peaks were divided by those of lidocaine ([M+H]+, m/z 235.1804) and 10-camphorsulfonic acid ([M-H]-, m/z 231.06910) for normalization. MS/MS data were acquired in ramp mode under the following analytical conditions: (1) MS: mass range, m/z 50–1500; scan duration, 0.1 s; interscan delay, 0.014 s; and (2) MS/MS: mass range, m/z 50–1500; scan duration, 0.02 s; interscan delay, 0.014 s; data acquisition, centroid mode; collision energy, ramped from 10 to 50 V. In this mode, MS/MS spectra of the top 10 ions (>1000 counts) in an MS scan were automatically obtained. When the ion intensity was less than 1000, MS/MS data acquisition was not performed. The secondary metabolites were chemically assigned by deciphering MS/MS spectra. lly assigned by deciphering MS/MS spectra.
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