ArticleAnalytical chemistry2020
Mass-Spectrometry-Based Identification of Synthetic Drug Isomers Using Infrared Ion Spectroscopy.
Article in Analytical chemistry, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 15 papers.
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Who cites it
15 citing papers in PubMed, 46 citations in OpenAlex.
- Action Spectroscopy of Mass-Selected Ions-From Principles to Applications.Journal of mass spectrometry : JMS · 2026Review
- Development of a Robust Platform for Infrared Ion Spectroscopy: A New Addition to the Analytical Toolkit for Enhanced Metabolite Structure Elucidation.Analytical chemistry · 2025Article
- Study on the Mass Spectrometry Cleavage Pattern of Quinolone Antibiotics.ChemistryOpen · 2024Article
- AnAnalytical chemistry · 2023Article
- Targeted Small-Molecule Identification Using Heartcutting Liquid Chromatography-Infrared Ion Spectroscopy.Analytical chemistry · 2023Article
- Binding Modes of a Cytotoxic Dinuclear Copper(II) Complex with Phosphate Ligands Probed by Vibrational Photodissociation Ion Spectroscopy.Inorganic chemistry · 2023Article
- Utilization of Machine Learning for the Differentiation of Positional NPS Isomers with Direct Analysis in Real Time Mass Spectrometry.Analytical chemistry · 2022Article
- Infrared multiple photon dissociation (IRMPD) spectroscopy and its potential for the clinical laboratory.Journal of mass spectrometry and advances in the clinical lab · 2022Article
- Evaluation of table-top lasers for routine infrared ion spectroscopy in the analytical laboratory.The Analyst · 2021Article
- Advanced tandem mass spectrometry in metabolomics and lipidomics-methods and applications.Analytical and bioanalytical chemistry · 2021Review
- High-Throughput Non-targeted Chemical Structure Identification Using Gas-Phase Infrared Spectra.Analytical chemistry · 2021Article
- Insight into chemical basis of traditional Chinese medicine based on the state-of-the-art techniques of liquid chromatography-mass spectrometry.Acta pharmaceutica Sinica. B · 2021Review
- Performance evaluation of handheld Raman spectroscopy for cocaine detection in forensic case samples.Drug testing and analysis · 2021Article
- Isomer-Specific Two-Color Double-Resonance IRAnalytical chemistry · 2021Article
- Analytical Characterization of 3-MeO-PCP and 3-MMC in Seized Products and Biosamples: The Role of LC-HRAM-Orbitrap-MS and Solid Deposition GC-FTIR.Frontiers in chemistry · 2020Article
Corrections and comments
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Authors and funding
6 authors at 2 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Infrared ion spectroscopy (IRIS), a mass-spectrometry-based technique exploiting resonant infrared multiple photon dissociation (IRMPD), has been applied for the identification of novel psychoactive substances (NPS). Identification of the precise isomeric forms of NPS is of significant forensic relevance since legal controls are dependent on even minor molecular differences such as a single ring-substituent position. Using three isomers of fluoroamphetamine and two ring-isomers of both MDA and MDMA, we demonstrate the ability of IRIS to distinguish closely related NPS. Computationally predicted infrared (IR) spectra are shown to correspond with experimental spectra and could explain the molecular origins of their distinctive IR absorption bands. IRIS was then used to investigate a confiscated street sample containing two unknown substances. One substance could easily be identified by comparison to the IR spectra of reference standards. For the other substance, however, this approach proved inconclusive due to incomplete mass spectral databases as well as a lack of available reference compounds, two common analytical limitations resulting from the rapid development of NPS. Most excitingly, the second unknown substance could nevertheless be identified by using computationally predicted IR spectra of several potential candidate structures instead of their experimental reference spectra.
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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.