Forensic Chemistry

The Excel spreadsheet contains 57,522 mass spectra of 76 different fentanyl analogs. The mass spectra are electron ionization mass spectra (EI-MS) taken at each scan across each GC peak of each replicate injection with no averaging. The spectra include the tails of the GC peaks, which often contain little or no signal from the eluting substance. Such spectra can serve as negative controls or background spectra. The raw counts are provided in centroid/histogram format with 1 Da bins from m/z 40-500. Details are provided in the following publication: A. I. Adeoye, G. P. Jackson, "Application of the Expert Algorithm for Substance Identification (EASI) to the Electron Ionization (EI) Mass Spectra of Fentanyl Isomers and Analogs," Forensic Chem. 2025, 44, 100660. (https://doi.org/10.1016/j.forc.2025.100660)

Excel Spreadsheet contains all the retention times, retention indices, mass spectral peak abundances and chromatography performance calculations.

Contained are the recorded %relative abundances and m/z values for the 20 most abundant ions in each spectra. All data is labeled by instrument, day, run, and whether the tune pass or failed the DFTPP tune check.

Semiquantitative results

Two spreadsheets contain raw data and selected plots for GC-MS retention times and relative ion abundance data for replicate measurements of scheduled drugs.

Excel Spreadsheets contain extracted GC retention times and fragment ion abundances in EI mass spectra.