Quantification of MDMA in seized tablets using benchtop 1H NMR spectroscopy in the absence of internal standards

Recent Applications of Benchtop Nuclear Magnetic Resonance Spectroscopy

“…qNMR is used to determine the concentration of one or more chemicals present in a solution, which is made possible because not only is the intensity of the NMR signal directly proportional to the number of corresponding resonant nuclei, but all signals that appear in the spectrum are equally sensitive, irrespective of the type of molecule. To reduce the number/duration of sample preparation processes, quantitative analysis can be performed without internal standards using statistical means such as linear or partial least squares regression to obtain values similar to those of gas-chromatographic (GC) analysis [40]. Moreover, both benchtop NMR spectroscopy and chemometric methods can be used to determine the presence and amount of active substances in falsified or substandard medical products [41].…”

“…In particular, as the heteronuclear NMR spectra are very simple, unlike 1 H spectra, in which overlap often occurs, they may be useful for the identification of certain molecules containing the corresponding nuclides. The introduction of statistical data processing is becoming essential for all applications [40,41]. Statistical tools are often used to compare two types of substances with similar components or to quantify the desired substance.…”

Fast & fluorinated – Development and validation of a rapid benchtop NMR approach and other routine screening methods for the detection and quantification of synthesized fluorofentanyl derivatives

“…[30,32] Using reference material synthesized in-house, this study shows that presumptive tests and GC-EI-MS are unable to fully discriminate between a variety of fluorinated regioisomers (1a-c, 5a-c, 6, 7). As benchtop NMR has previously been used to identify and quantify illicit drugs, [33][34][35][36] it is proposed as an alternative technique for the identification and quantification of these compounds.…”

Seized Ecstasy Pills: Infrared Spectra and Image Datasets

“…Amphetamine-type stimulants (ATS), mostly known as ecstasy, XTC, or designer drugs, are derivatives from Amphetamine (Am) and sold as tablets. The other most commonly found derivatives are MDA (3,4-methylenedioxyamphetamine) and MDMA (3,4-methylenedioxy-N -methylamphetamine) [1]. During 2018 only, 228 metric tons of methamphetamine (MAm) were seized globally [2].…”

“…The testing and monitoring of illicit pills is thus a gigantic task and a matter of public health. While many analytical platforms have been showcased for that purpose, the main focus has been the identification and/or quantification of active compounds in pills [3][4][5][6].…”