The identification of 3,4-MDMA from its mass equivalent isomers and isobaric substances using fast LC-ESI-MS-MS

J Chromatogr Sci. 2005 Feb;43(2):92-7. doi: 10.1093/chromsci/43.2.92.

Abstract

3,4-methylenedioxymethamphetamine (3,4-MDMA, "Ecstacy") and its 17 isomers and isobaric substances are studied using liquid chromatography (LC)-positive electrospray ionization-mass spectrometry (MS). 3,4-MDMA is a controlled substance, whereas in many countries the other studied isobaric compounds are not. A method for confirmation of the presence of 3,4-MDMA in drug seizures is developed and validated. Using single MS, the compounds produce an intense protonated molecule and some characteristic fragments; but tandem MS (MS-MS) is applied to enhance specificity. The MS-MS fragmentation is studied in order to distinguish 3,4-MDMA from the other 17 related compounds. However, the MS-MS spectra of 3,4-MDMA and six related compounds are very similar. Therefore, the LC-MS-MS method is developed for the unambiguous identification of 3,4-MDMA. The use of a monolithic column allows for 5-min gradient runs. This qualitative method is tested with 49 Ecstacy samples seized by the police. All results are congruent with the ones obtained with other methods.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Chromatography, Liquid / methods*
  • Isomerism
  • N-Methyl-3,4-methylenedioxyamphetamine / analogs & derivatives
  • N-Methyl-3,4-methylenedioxyamphetamine / isolation & purification*
  • Spectrometry, Mass, Electrospray Ionization / methods*
  • Tandem Mass Spectrometry / methods*

Substances

  • N-Methyl-3,4-methylenedioxyamphetamine