Nontargeted SWATH acquisition for identifying 47 synthetic cannabinoid metabolites in human urine by liquid chromatography-high-resolution tandem mass spectrometry

  title={Nontargeted SWATH acquisition for identifying 47 synthetic cannabinoid metabolites in human urine by liquid chromatography-high-resolution tandem mass spectrometry},
  author={Karl B. Scheidweiler and Michael J. Y. Jarvis and Marilyn A. Huestis},
  journal={Analytical and Bioanalytical Chemistry},
AbstractClandestine laboratories constantly produce new synthetic cannabinoids to circumvent legislative scheduling efforts, challenging and complicating toxicological analysis. Sundstrom et al. (Anal Bioanal Chem 405(26):8463–8474, [9]) and Kronstrand et al. (Anal Bioanal Chem 406(15):3599–3609, [10]) published nontargeted liquid chromatography, high-resolution, quadrupole/time-of-flight mass spectrometric (LC-QTOF) assays with validated detection of 18 and 38 urinary synthetic cannabinoid… 
Emerging Synthetic Cannabinoids: Development and Validation of a Novel Liquid Chromatography Quadrupole Time-of-Flight Mass Spectrometry Assay for Real-Time Detection.
An efficient liquid chromatography/quadrupole time-of-flight mass spectrometry (LC-QTOF-MS) assay for the identification of synthetic cannabinoid parent compounds and metabolites, including real-time identification of emergent compounds, using a SCIEX TripleTOF® 5600+ with non-targeted SWATH® acquisition is described.
Screening, quantification, and confirmation of synthetic cannabinoid metabolites in urine by UHPLC–QTOF–MS
The UHPLC–QTOF–MS method was proven to be sensitive, selective and robust for routine use for the investigated metabolites, and fulfilled the set criteria and requirements for matrix effect, extraction recovery, linearity, precision, accuracy, specificity, and stability.
UHPLC-HRMS and GC-MS Screening of a Selection of Synthetic Cannabinoids and Metabolites in Urine of Consumers
The screening method applied JWH-122,JWH-210, UR-144 and their metabolites in urine of consumers can be applied to other compounds of the JWH family.
A Validated Method for the Detection of Synthetic Cannabinoids in Oral Fluid.
The method was validated with a limit of detection, limit of quantitation, selectivity, linearity, accuracy, and precision and readily applicable to a routine laboratory.
LC-MS/MS Screening Method Using Information-Dependent Acquisition of Enhanced Product Ion Mass Spectra for Synthetic Cannabinoids Including Metabolites in Urine.
Application of the method was demonstrated by detection of SC metabolites in authentic urine samples, which showed good selectivity, limits of identification down to 0.05 ng/mL, recoveries above 80% and matrix effects within ± 25% for the selected analytes.
Simultaneous quantification of 37 synthetic cannabinoid metabolites in human urine by liquid chromatography-tandem mass spectrometry
Despite efforts by legal authorities to control the abuse of synthetic cannabinoids, new derivatives have continually emerged on the market to circumvent regulations, and its abuse has become a
Validation of an ELISA Synthetic Cannabinoids Urine Assay
This high throughput immunoassay exhibited good diagnostic efficiency and documented that the NMS Jwh-018 direct ELISA is a viable method for screening synthetic cannabinoids in urine targeting the JWH-018 N-(5-hydroxypentyl) and related analytes.
Comprehensive analysis of synthetic cannabinoids and metabolites in oral fluid by online solid-phase extraction coupled to liquid chromatography-triple quadrupole-mass spectrometry
A validated online solid-phase extraction (online SPE) method coupled to LC-QqQ-MS for rapid confirmation and quantitation of 72 structurally diverse SC parent drugs and metabolites in OF with 2.5 min of preconcentration time and a total elution time of < 10 min is reported.
Synthetic cannabinoids pharmacokinetics and detection methods in biological matrices
It is suggested that streamlined assessment of new SC’s pharmacokinetics and advanced HRMS screening provide a promising strategy to maintain relevant assays.


LC-QTOF-MS as a superior strategy to immunoassay for the comprehensive analysis of synthetic cannabinoids in urine
The immunoassay performed well, presenting both high sensitivity and specificity for the synthetic cannabinoids present in the urine samples tested, and is considered time-of-flight mass spectrometry to be superior since new metabolites can be quickly included and identified.
Validation of a novel immunoassay for the detection of synthetic cannabinoids and metabolites in urine specimens.
The validation and performance characteristics of two enzyme linked immunosorbent assays designed to detect the use of two common synthetic cannabinoids in urine, JWH-018 and Jwh-250 are described.
First Characterization of AKB-48 Metabolism, a Novel Synthetic Cannabinoid, Using Human Hepatocytes and High-Resolution Mass Spectrometry
Using human hepatocytes and TripleTOF mass spectrometry, 17 novel phase I and II AKB-48 metabolites are identified, products of monohydroxylation, dihydroxylations, or trihydroxyation on the aliphatic adamantane ring or N-pentyl side chain.
Quantitative measurement of JWH-018 and JWH-073 metabolites excreted in human urine.
A liquid chromatography-tandem mass spectrometry method for measuring urinary concentrations of JWH-018,JWH-073, and several potential metabolites of each is validated, clinically validating the LC-MS/MS assay for detecting and quantifying aminoalkylindole metabolites.
Detection of urinary metabolites of AM-2201 and UR-144, two novel synthetic cannabinoids.
In vitro and in vivo metabolism of AM-2201 and forensic urine samples were analyzed and it has been shown that for both cannabimimetics the recommended screening targets are the monohydroxylated metabolites.
Qualitative confirmation of 9 synthetic cannabinoids and 20 metabolites in human urine using LC-MS/MS and library search.
A qualitative LC-MS/MS method identifying urinary metabolites of synthetic cannabinoids and their parent compounds was presented, fully validated, including proof of selectivity and assessment of matrix effects.
First metabolic profile of XLR-11, a novel synthetic cannabinoid, obtained by using human hepatocytes and high-resolution mass spectrometry.
These are the first data defining major urinary targets of XLR-11 metabolism that could document XLR -11 intake in forensic and clinical investigations.
Chromatography-mass spectrometry studies on the metabolism of synthetic cannabinoids JWH-018 and JWH-073, psychoactive components of smoking mixtures.