Developments in high-resolution mass spectrometric analyses of new psychoactive substances

Research output: Contribution to journal › Review › Research › peer-review

Standard

Developments in high-resolution mass spectrometric analyses of new psychoactive substances. / Klingberg, Joshua; Keen, Bethany; Cawley, Adam; Pasin, Daniel; Fu, Shanlin.

In: Archives of Toxicology, Vol. 96, 2022, p. 949–967.

Research output: Contribution to journal › Review › Research › peer-review

Harvard

Klingberg, J, Keen, B, Cawley, A, Pasin, D & Fu, S 2022, 'Developments in high-resolution mass spectrometric analyses of new psychoactive substances', Archives of Toxicology, vol. 96, pp. 949–967. https://doi.org/10.1007/s00204-022-03224-2

APA

Klingberg, J., Keen, B., Cawley, A., Pasin, D., & Fu, S. (2022). Developments in high-resolution mass spectrometric analyses of new psychoactive substances. Archives of Toxicology, 96, 949–967. https://doi.org/10.1007/s00204-022-03224-2

Vancouver

Klingberg J, Keen B, Cawley A, Pasin D, Fu S. Developments in high-resolution mass spectrometric analyses of new psychoactive substances. Archives of Toxicology. 2022;96:949–967. https://doi.org/10.1007/s00204-022-03224-2

Author

Klingberg, Joshua ; Keen, Bethany ; Cawley, Adam ; Pasin, Daniel ; Fu, Shanlin. / Developments in high-resolution mass spectrometric analyses of new psychoactive substances. In: Archives of Toxicology. 2022 ; Vol. 96. pp. 949–967.

Bibtex

@article{a9646733b45c4212ae397e737339f462,
title = "Developments in high-resolution mass spectrometric analyses of new psychoactive substances",
abstract = "The proliferation of new psychoactive substances (NPS) has necessitated the development and improvement of current practices for the detection and identification of known NPS and newly emerging derivatives. High-resolution mass spectrometry (HRMS) is quickly becoming the industry standard for these analyses due to its ability to be operated in data-independent acquisition (DIA) modes, allowing for the collection of large amounts of data and enabling retrospective data interrogation as new information becomes available. The increasing popularity of HRMS has also prompted the exploration of new ways to screen for NPS, including broad-spectrum wastewater analysis to identify usage trends in the community and metabolomic-based approaches to examine the effects of drugs of abuse on endogenous compounds. In this paper, the novel applications of HRMS techniques to the analysis of NPS is reviewed. In particular, the development of innovative data analysis and interpretation approaches is discussed, including the application of machine learning and molecular networking to toxicological analyses.",
keywords = "HRMS, Illicit drugs, Machine learning, Metabolomics, Molecular networking, New psychoactive substances",
author = "Joshua Klingberg and Bethany Keen and Adam Cawley and Daniel Pasin and Shanlin Fu",
note = "Publisher Copyright: {\textcopyright} 2022, The Author(s).",
year = "2022",
doi = "10.1007/s00204-022-03224-2",
language = "English",
volume = "96",
pages = "949–967",
journal = "Archives of Toxicology",
issn = "0340-5761",
publisher = "Springer",

}

RIS

TY - JOUR

T1 - Developments in high-resolution mass spectrometric analyses of new psychoactive substances

AU - Klingberg, Joshua

AU - Keen, Bethany

AU - Cawley, Adam

AU - Pasin, Daniel

AU - Fu, Shanlin

N1 - Publisher Copyright: © 2022, The Author(s).

PY - 2022

Y1 - 2022

N2 - The proliferation of new psychoactive substances (NPS) has necessitated the development and improvement of current practices for the detection and identification of known NPS and newly emerging derivatives. High-resolution mass spectrometry (HRMS) is quickly becoming the industry standard for these analyses due to its ability to be operated in data-independent acquisition (DIA) modes, allowing for the collection of large amounts of data and enabling retrospective data interrogation as new information becomes available. The increasing popularity of HRMS has also prompted the exploration of new ways to screen for NPS, including broad-spectrum wastewater analysis to identify usage trends in the community and metabolomic-based approaches to examine the effects of drugs of abuse on endogenous compounds. In this paper, the novel applications of HRMS techniques to the analysis of NPS is reviewed. In particular, the development of innovative data analysis and interpretation approaches is discussed, including the application of machine learning and molecular networking to toxicological analyses.

AB - The proliferation of new psychoactive substances (NPS) has necessitated the development and improvement of current practices for the detection and identification of known NPS and newly emerging derivatives. High-resolution mass spectrometry (HRMS) is quickly becoming the industry standard for these analyses due to its ability to be operated in data-independent acquisition (DIA) modes, allowing for the collection of large amounts of data and enabling retrospective data interrogation as new information becomes available. The increasing popularity of HRMS has also prompted the exploration of new ways to screen for NPS, including broad-spectrum wastewater analysis to identify usage trends in the community and metabolomic-based approaches to examine the effects of drugs of abuse on endogenous compounds. In this paper, the novel applications of HRMS techniques to the analysis of NPS is reviewed. In particular, the development of innovative data analysis and interpretation approaches is discussed, including the application of machine learning and molecular networking to toxicological analyses.

KW - HRMS

KW - Illicit drugs

KW - Machine learning

KW - Metabolomics

KW - Molecular networking

KW - New psychoactive substances

U2 - 10.1007/s00204-022-03224-2

DO - 10.1007/s00204-022-03224-2

M3 - Review

C2 - 35141767

AN - SCOPUS:85124539808

VL - 96

SP - 949

EP - 967

JO - Archives of Toxicology

JF - Archives of Toxicology

SN - 0340-5761

ER -

ID: 298032893