Identification of 1-Butyl-Lysergic Acid Diethylamide (1B-LSD) in Seized Blotter Paper Using an Integrated Workflow of Analytical Techniques and Chemo-Informatics

Autor: Joao Alberto Lopes, Fabiano Reniero, Claude Guillou, Jenny Åberg, Emmanouil D. Tsochatzis, Margaret V. Holland
Jazyk: angličtina
Rok vydání: 2020
Předmět:
Paper
Magnetic Resonance Spectroscopy
Computer science
Pharmaceutical Science
01 natural sciences
Article
Chemistry Techniques
Analytical
Gas Chromatography-Mass Spectrometry
Workflow
Analytical Chemistry
lcsh:QD241-441
03 medical and health sciences
0302 clinical medicine
lcsh:Organic chemistry
Tandem Mass Spectrometry
Drug Discovery
medicine
GC–MS
030216 legal & forensic medicine
blotter paper sample
Physical and Theoretical Chemistry
Lysergic acid diethylamide
Chromatography
010401 analytical chemistry
Organic Chemistry
HR–MS/MS
NMR
0104 chemical sciences
Lysergic Acid Diethylamide
Identification (information)
1-butyl-lysergic acid diethylamide (1B-LSD)
Chemistry (miscellaneous)
Molecular Medicine
Gas chromatography
Gas chromatography–mass spectrometry
Chromatography
Liquid
medicine.drug
Zdroj: Molecules
Volume 25
Issue 3
Molecules, Vol 25, Iss 3, p 712 (2020)
ISSN: 1420-3049
DOI: 10.3390/molecules25030712
Popis: The rapid dispersion of new psychoactive substances (NPS) presents challenges to customs services and analytical laboratories, which are involved in their detection and characterization. When the seized material is limited in quantity or of a complex nature, or when the target substance is present in very small amounts, the need to use advanced analytical techniques, efficient workflows and chemo-informatics tools is essential for the complete identification and elucidation of these substances. The current work describes the application of such a workflow in the analysis of a single blotter paper, seized by Swedish customs, that led to the identification of a lysergic acid diethylamide (LSD) derivative, 1-butyl-lysergic acid diethylamide (1B-LSD). Such blotter paper generally contains an amount in the range of 30&ndash
100 ug. This substance, which is closely related to 1-propionyl-lysergic acid diethylamide (1P-LSD), seems to have only recently reached the drug street market. Its identification was made possible by comprehensively combining gas chromatography with mass spectrometry detection (GC&ndash
MS), liquid chromatography coupled with high-resolution tandem MS (LC&ndash
HR-MS/MS), Orbitrap-MS and both 1D and 2D nuclear-magnetic-resonance (NMR) spectroscopy. All the obtained data have been managed, assessed, processed and evaluated using a chemo-informatics platform to produce the effective chemical and structural identification of 1B-LSD in the seized material.
Databáze: OpenAIRE
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