A ground truth data set of gas chromatography mass spectrometry (GCMS) analysed synthesised methylenedioxymethylamphetamine (MDMA)

• DOI: 10.1016/j.dib.2023.108931
• Publication Date: 2023-01-25T22:58:57Z
• Authors: Jonathan Miller; Roberto Puch-Solis; Hilary Ann Scott ...; Niamh Nic Daeid
• Keywords: Profiling (computer programming); Sample Preparation

Controlled drug samples are normally chemically analysed to determine their identity and in some cases, purity. There also circumstances where a more broad chemical characterisation of may be required. This involves investigating the impurities that present sample as consequence synthesis. impurity or profiling can derived from drugs which synthesised extracted plant materials then modified chemically. Impurity provide insight into synthetic methods used sometimes starting chemicals used. We report on data generated repetitive ( n=18 ) synthesis ecstasy (methylenedioxymethylamphetamine MDMA) made by three different methods. Each is expressed multiple formats. article uses template for publishing GCMS provided Miller et al.(2022)[1]. The provides robust systematic approach organise both useful practitioners amenable automated manipulation scientists.