A custom library of retention times and m/z ratios was compiled using unlabeled and 13C-labeled reference compounds and ms/ms fragmentation patterns. These data were referenced to the MZCloud (mzcloud.org) and Mass Bank (massbank.eu) databases. All data were converted to MZXML format using MassMatrix. Peak areas, including isotopically enriched metabolites, were obtained using Maven (76, 77) for targeted analysis, and untargeted analysis was performed using both IROA ClusterFinder and Compound Discoverer. Differentially abundant metabolites were identified by computing fold change and statistical significance using Wilcoxon nonparametric test. Volcano plots were generated for each pairwise comparison of NKTs and ccRCCs to illustrate the effect size and statistical significance for each metabolite.

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