Application of a simultaneous screening method for the detection of new psychoactive substances in various matrix samples using liquid chromatography/electrospray ionization tandem mass spectrometry and liquid chromatography/quadrupole time‐of‐flight mass spectrometry

Abstract

Recently, new psychoactive substances (NPS) emerged as a public health risk. Particularly, their chemical structures are modified to avoid detection. Synthetic NPS with effects similar to those of illegal drugs have been recently detected and synthesised worldwide, including MDMB-FUBINACA and APINAC, making it essential to rapidly and accurately detect NPS. Fourteen NPS with similar structures were selected and their structures identified using 1 H and 13 C NMR spectroscopy. Additionally, we proposed the fragmentation pattern of each compound using LC-QTOF-MS. A simultaneous analytical method using ESI-LC-MS/MS was also developed and applied to real samples to detect 14 NPS. The method was validated based on the specificity, linearity, limit of detection (LOD), limit of quantification (LOQ), precision, accuracy, matrix effect, and stability according to international validation guidelines. The established method was used to screen 65 different matrix samples using LC-ESI-MS/MS. By comparing the calculated product ion ratios with those of standards, 2C-B in one real samples and 5F-MDMB-PICA in 20 samples were identified. For re-confirmation of detected compounds, each fragmentation pattern of each compound was compared to that of each standard using LC-QTOF-MS. In this study, LC-QTOF-MS were used to elucidate the structures and fragmentation patterns of 14 NPS. A simultaneous method was developed using LC-ESI-MS/MS, which was applied to 65 real samples. The presented method and results can assist in ensuring the safety of public health from illegal adulteration.