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Based on data preprocessing and statistical tests carried out by XCMS and ProfileAnalysis, the precursors list was generated.
Siuzdak, "XCMS online: a web-based platform to process untargeted metabolomic data," Analytical Chemistry, vol.
We used 2-way ANOVA to analyze the influence of PCOS status and obesity and the interaction between both independent variables on the m/zRT intensities obtained by XCMS software, normalized to internal standard succinic acid-d4.
From data extracted with xcms, 16 features matched the theoretical m/z of monitored compounds with a mass precision <5 ppm.
We used the program XCMS (5) to integrate the chromatographic peaks and assign the peaks into groups, followed by nonlinear alignment of the grouped data in the time domain.
The resultant data were processed with XCMS (https://xcmsonline.scripps.
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