Identifying active xenobiotics in humans by use of a suspect screening technique coupled with lipidomic analysis

•We developed a single-phase extraction methodology for lipids in serum samples.•We established a suspect screening database containing 1450 xenobiotics.•Suspect xenobiotic screening and lipidomic analysis were conducted for 120 serum samples.•N = 23 active xenobiotics were identified on the basis of high-resolution MS characteristics.•N = 3 active xenobiotics were fully validated by comparison with authentic standards.