Dynamic multiple reaction monitoring for high throughput detection and quantitation of polycyclic aromatic compounds

Abstract

This study presents a dynamic multiple reaction monitoring (dMRM) method for the simultaneous analysis of 122 polycyclic aromatic compounds (PACs), including polycyclic aromatic hydrocarbons (PAHs), alkylated PAHs, halogenated PAHs, heterocyclic PACs, and halogenated HPACs using gas chromatography–tandem mass spectrometry (GC-MS/MS). Conventional MRM methods for these complex mixtures (including the one used as our benchmark) require multiple GC injections and time segments to maintain sufficient MS dwell and cycle times. The dMRM developed here captured all our analytes in a single GC-injection. The analytical performance characteritsitc of the dMRM method was compared to our conventional time-segmented MRM methods using matrices of increasing complexity, including calibration standards, certified sediment and mussel reference materials, and an in-house fortified egg reference material. Instrument detection limits were similar for both methods and ranged from 0.1 to 1.3 pg µL⁻¹. The dMRM method achieved comparable or improved precision and accuracy compared to conventional MRM for less complex matrices, such as standard solutions and biota. Negative systematic biases were observed for a subset of analytes in the sediment matrix for both approaches and are attributed to to non-exhaustive extractions rather than limitations of the MS methods. Provided that sample preparation is carefully optimized for challenging matrices, the dMRM technique offers a powerful tool for high-throughput environmental analysis of PACs, enabling a single GC injection to streamline laboratory workflows and enhance analytical efficiency.