10.6084/m9.figshare.963211.v3 Natasha Stojanovska Natasha Stojanovska Mark Tahtouh Mark Tahtouh Tamsin Kelly Tamsin Kelly Alison Beavis Alison Beavis Shanlin Fu Shanlin Fu Presumptive analysis of 4-methylmethcathinone (mephedrone) using Desorption Electrospray Ionisation - Mass Spectrometry (DESI-MS) Taylor & Francis Group 2014 re Chemical analysis pmma mass spectrometry sample preparation ptfe mmc rsd presumptive detection novel drug analogues Presumptive analysis presumptive identification ambient surfaces analysing substances Desorption Electrospray Ionisation mass spectrometry technique tandem MS drug compounds polyvinyl chloride 2014-09-15 09:00:26 Journal contribution https://tandf.figshare.com/articles/journal_contribution/Presumptive_analysis_of_4_methylmethcathinone_mephedrone_using_Desorption_Electrospray_Ionisation_Mass_Spectrometry_DESI_MS_/963211 <div><p>4-Methylmethcathione (4-MMC or mephedrone) is a prevalent drug of abuse globally. 4-MMC is often marketed as ‘bath salts’ and is readily available over the internet. The need for a rapid universal technique capable of detecting an extensive range of drug compounds has become increasingly important with the continued emergence of novel drug analogues. Desorption electrospray ionisation - mass spectrometry (DESI-MS) is a mass spectrometry technique that allows for the analysis of compounds directly from ambient surfaces, reducing or eliminating the need for sample preparation. Although 4-MMC has gained significant attention in recent years, the application of the DESI-MS technique to the fast presumptive detection and chemical analysis of this analogue has not been presented. In the present study, DESI-MS was applied to the rapid qualitative analysis of 4-MMC. A particularly suitable surface, semi-porous polytetrafluoroethylene (PTFE, Teflon) was utilised, as it generated the least variable signal and reproducibility compared to other surfaces (polymethyl-methacrylate (PMMA) and polyvinyl chloride (PVC)). Selectivity of the technique to the detection of 4-MMC was evaluated by analysing a range of adulterated samples including mixtures containing caffeine, methylamphetamine, cathinone and paracetamol. Specificity based on tandem MS (MS/MS) was also demonstrated by analysing substances with the same molecular formula as 4-MMC. Accuracy (% RE) and precision (% RSD) of the method were found to be within 13% and 38%, respectively; and therefore the quantitative data provided by the DESI-MS method is limited compared to gas chromatography-mass spectrometry (GC-MS; accuracy < 13% and precision < 12%). The results suggest that DESI-MS can greatly aid in the rapid presumptive identification of 4-MMC and other similar novel drug analogues.</p></div>