DS Description
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Peak picking and peak alignment were perfo … Peak picking and peak alignment were performed by Profiling Solution (version 1.0.76.0) (Shimadzu Corporation, Kyoto, Japan). The Profiling Solution parameters were as follows: ion m/z tolerance, 20 mDa; Ion RT tolerance, 0.1 min; Ion intensity threshold, 2e4; detect isomer valley, 20%; allow some ion without isotope peak, ON; time range for processing, 0–20 min. The data matrix containing 534 ions was exported from Profiling Solution and normalized based on the intensity of [M + HCO2]− of 10:0/10:0 PC. Peak height of individual galactolipid molecules were calculated based on the m/z values of [M + HCO2]−. Because lipid species with the same polar head eluted at almost the same retention time, corrections for overlap of isotopic variants in higher-mass lipids were applied. Annotation was based on theoretical m/z values of each possible glycerolipid species in plants and retention time of authentic compounds with same polar head using an in-house Perl script. After this process, data was pareto-scaled and subjected to PCA and OPLS-DA using SIMCA-P (version 11.0.0.0, Umetrics, Umeä, Sweden). version 11.0.0.0, Umetrics, Umeä, Sweden).
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