A comprehensive UHPLC–MS/MS screening method for the analysis of 98 New Psychoactive Substances and related compounds in human hair

Nzekoue, Franks Kamgang; Agostini, Marco; Verboni, Michele; Renzoni, Caterina; Alfieri, Lucia; Barocci, Simone; Ricciutelli, Massimo; Caprioli, Giovanni; Lucarini, Simone

doi:10.1016/j.jpba.2021.114310

Cited by 14 publications

(5 citation statements)

References 43 publications

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“…The 95% condence level was selected in the statistical evaluation. The q value was calculated by eqn (3).…”

Section: Evaluation Of Precipitants For Urine Sample Pretreatmentmentioning

confidence: 99%

“…9,10 By January 2021, more than 1000 NPS had been reported. 3 In response to the growing number of NPS, the EMCDDA has implemented the EU Early Warning System (EWS), which aims to monitor, analyse and report on the growth trend of NPS. 11 From 2014 to 2019, the number of first identified NPS decreased from 100 to 53, and the prevalence of NPS also declined.…”

Section: Introductionmentioning

confidence: 99%

“…1 Due to subtle structural differences, most NPS were not detected by drug-detection systems, allowing criminals to evade the law. [2][3][4][5] In recent years, with the continuous development of the internet network, the market of NPS has been expanding, and the abuse of NPS has become a global problem. [6][7][8] In 2018, the European Monitoring Centre for Drugs and Drug Addiction (EMCDDA) reported that one new NPS appears per week on average.…”

Section: Introductionmentioning

confidence: 99%

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Development and validation of the UPLC-MS method for simultaneous determination of six new psychoactive substances

Tan

Wen²,

Yang³

et al. 2022

RSC Adv.

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“…The 95% condence level was selected in the statistical evaluation. The q value was calculated by eqn (3).…”

Section: Evaluation Of Precipitants For Urine Sample Pretreatmentmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Development and validation of the UPLC-MS method for simultaneous determination of six new psychoactive substances

Tan

Wen²,

Yang³

et al. 2022

RSC Adv.

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show abstract

“…Because of their wide-ranging potency, confident identification of specific cannabinoids in biological samples is a critical step toward linking toxicity with symptoms. , Laboratory-based testing of samples, which might include urine, blood, oral fluid, or hair, has primarily been accomplished using mass-spectrometry-based methods coupled to either gas chromatography (GC-MS) − or liquid chromatography (LC-MS). − Investigation of cannabinoid metabolites is also especially important, as their relatively quick metabolism often precludes detection of parent compounds in urine. Several studies have reported on GC- and/or LC-MS analysis of metabolites from a range of synthetic cannabinoids, either through collection of urine samples following use of those substances or via simulated metabolism (i.e., with human liver microsomes or by fungal metabolism). − …”

Section: Introductionmentioning

confidence: 99%

Separation and Characterization of Synthetic Cannabinoid Metabolite Isomers Using SLIM High-Resolution Ion Mobility-Tandem Mass Spectrometry (HRIM-MS/MS)

Aderorho,

Lucas,

Chouinard

2024

J. Am. Soc. Mass Spectrom.

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Synthetic cannabinoids, a subclass of new psychoactive substances (NPS), are laboratory-made substances that are chemically similar to those found naturally in the cannabis plant. Many of these substances are illicitly manufactured and have been associated with severe health problems, prompting a need to develop analytical methods capable of characterizing both known and previously undetected compounds. This work focuses on a novel Structures for Lossless Ion Manipulations (SLIM) IM-MS approach to the differentiation and structural characterization of synthetic cannabinoid metabolites, specifically MDA-19/BUTI-NACA, JWH-018, and JWH-250 isomer groups. These different compound classes are structurally very similar, differing only in the position of one or a few functional groups; this yielded similarity in measured collision cross section (CCS) values. However, the high resolution of SLIM IM provided adequate separation of many of these isomers, such as sodiated JWH-250 metabolites N-4-OH, N-5-OH, and 5-OH, which displayed CCS of 187.5, 182.5, and 202.3 Å 2 , respectively. In challenging cases where baseline separation was precluded due to nearly identical CCS, such as for JWH-018 isomers, simple derivatization by dansyl chloride selectively reacted with the 6-OH compound to provide differentiation of all isomers using a combination of CCS and m/z. Finally, the opportunity to use this method for structural elucidation of unknowns was demonstrated by using SLIM IM mobility-aligned MS/MS fragmentation. Different MDA-19/BUTINACA isomers were first mobility separated and could then be individually activated, yielding unique fragments for both targeted identification and structural determination. Overall, the described SLIM IM-MS/MS workflow provides significant potential as a rapid screening tool for the characterization of emerging NPS such as synthetic cannabinoids and their metabolites.

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“…6,7 Laboratory-based testing of samples, which might include urine, blood, oral fluid, or hair, has primarily been accomplished using mass spectrometry-based methods coupled to either gas chromatography (GC-MS) [8][9][10][11] or liquid chromatography (LC-MS). [12][13][14][15][16][17][18] Investigation of cannabinoid metabolites is also especially important, as their relatively quick metabolism often precludes detection of parent compounds in urine. Several studies have reported on GC-and/or LC-MS analysis of metabolites from a range of synthetic cannabinoids, either through collection of urine samples following use of those substances or via simulated metabolism (i.e., with human liver microsomes or by fungal metabolism).…”

Section: Introductionmentioning

confidence: 99%

Separation and Characterization of Synthetic Cannabinoid Metabolite Isomers using SLIM High-Resolution Ion Mobility-Tandem Mass Spectrometry (HRIM-MS/MS)

Aderorho,

Lucas,

Chouinard

2023

Preprint

View full text Add to dashboard Cite

Synthetic cannabinoids, a subclass of new psychoactive substances (NPS), are lab-made substances that are chemically similar to those found naturally in the cannabis plant. Many of these substances are illicitly manufactured and have been associated with severe health problems, prompting a need to development analytical methods capable of characterizing both known and previously undetected compounds. This work focuses on a novel Structures for Lossless Ion Manipulations (SLIM) IM-MS approach to differentiation and structural characterization of synthetic cannabinoid metabolites, specifically MDA-19/BUTINACA, JWH-018, and JWH-250 isomer groups. These different compound classes are structurally very similar, differing only in the position of one or a few functional groups; this yielded similarity in measured collision cross section (CCS) values. However, the high resolution of SLIM IM provided adequate separation of many of these isomers, such as sodiated JWH-250 metabolites N-4-OH, N-5-OH, and 5-OH which displayed CCS of 187.5, 182.5, and 202.3 Å2, respectively. In challenging cases where baseline separation was precluded due to nearly identical CCS, such as for JWH-018 isomer, simple derivatization by dansyl chloride selectively reacted with the 6-OH compound to provide differentiation of all isomers using a combination of CCS and m/z. Finally, the opportunity to use this method for structural elucidation of unknowns was demonstrated using SLIM IM mobility-aligned MS/MS fragmentation. Different MDA-19/BUTINACA isomers were first mobility separated and then could be individually activated, yielding unique fragments for both targeted identification and structural determination. Overall, the described SLIM IM-MS/MS workflow provides significant potential as a rapid screening tool for characterization of emerging NPS such as synthetic cannabinoids and their metabolites.

show abstract

A comprehensive UHPLC–MS/MS screening method for the analysis of 98 New Psychoactive Substances and related compounds in human hair

Cited by 14 publications

References 43 publications

Development and validation of the UPLC-MS method for simultaneous determination of six new psychoactive substances

Development and validation of the UPLC-MS method for simultaneous determination of six new psychoactive substances

Separation and Characterization of Synthetic Cannabinoid Metabolite Isomers Using SLIM High-Resolution Ion Mobility-Tandem Mass Spectrometry (HRIM-MS/MS)

Separation and Characterization of Synthetic Cannabinoid Metabolite Isomers using SLIM High-Resolution Ion Mobility-Tandem Mass Spectrometry (HRIM-MS/MS)

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