Dataset for the manuscript "Comprehensive LC×LC-HRMS lipidomics workflow with active solvent modulation for the characterization of endocrine disruptor effects in zebrafish eleutheroembryos"

Datasets for the manuscript: https://doi.org/10.1016/j.aca.2026.345961 Lipids were extracted using two complementary protocols: a general extraction covering a broad range of lipid classes and a sphingolipid-targeted extraction. Extracts were concentrated, stored under argon at −80 °C, and resuspended prior to analysis with the corresponding standards mixture. LC×LC-HRMS analyses were performed on three biological replicates per exposure condition, considering exposure level (control, low, medium, and high), collection day (4 or 6 dpf), treatment (BPA or E2), and extraction type. QC samples and blanks were included throughout the analytical sequence. Chromatographic separation was performed using an RP×HILIC LC×LC configuration with a C18 column in the first dimension and an in-house packed bare-silica HILIC column in the second dimension. The modulation time was 1 min, and the total chromatographic run time was 120 min per sample. Mass spectrometric detection was performed using an Agilent 6545XT AdvanceBio LC/Q-TOF equipped with an Agilent JetStream electrospray ionization source operating in positive mode. Full-scan MS data were acquired over m/z 100–1500, and iterative Auto MS/MS analyses of QC samples were performed for lipid identification. The provided LC×LC-HRMS data are available in mzXML format and were used for data compression, preprocessing, and subsequent multivariate analysis to investigate the effects of BPA and E2 exposure on the lipidome of zebrafish eleutheroembryos. The mzXML files were initially generated using MSConvert with an absolute intensity threshold of 100 to reduce low-intensity signals and dataset size.