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Abstract
The use of differential mobility spectrometry at low pressure coupled to liquid chromatography-mass spectrometry (LC-vDMS-MS) was investigated for the analysis of thirteen drugs of abuse (DoA) including: cocaine, ecgonine methyl ester, cocaethylene, benzoylecgonine, norcocaine, tramadol, isomeric pairs of metabolites; O-desmethyl-cis-tramadol and N-desmethyl-cis-tramadol, and cannabinoids; Δ9-tetrahydrocannabinol, Δ9-tetrahydrocannabidiol, 11-hydroxy-Δ9-tetrahydrocannabinol, 11-nor-9carboxy-Δ9-tetrahydrocannabinol, 11-nor-9carboxy-Δ9-tetrahydrocannabinol glucuronide. Different parameters were optimized for isomeric separation, such as LC mobile phase composition (20-100% methanol acetonitrile and isopropanol, flow rate: 8-100 µL/min) and DMS separation voltage. Methanol and acetonitrile significantly affected the compensation voltage of the analytes and improved DMS separation. A short trap/elute LC-vDMS-SIM/MS screening method of 1 min was developed to quantify 11 drugs of abuse (except THC/CBD), in addition to a 4 min LC-vDMS-SIM/MS method to identify and quantify 5 cannabinoids including the isomers THC/CBD and three THC metabolites. The signal responses were linear over a concentration range of 0.005-10 µg/ml for the DoA and 1-1000 ng/ml for cannabinoids. The intra- and inter-day precision were better than 12.2% and accuracy better than 115%. Urine samples from subjects who tested positive for THC and/or cocaine during roadside drug testing were evaluated to assess the performance of the methods LC-vDMS-SIM/MS and LC-MRM/MS. Results show that the developed LC-vDMS-SIM/MS method presents similar performance to LC-MRM/MS with improved sample throughput.
Supplementary materials
Title
Supplementary Information
Description
Figure S1: Chemical structures of drugs of abuse analytes.
Figure S2: Short LC-vDMS-MS configuration.
Figure S3: Overlaid compensation voltage plots for the isomeric pairs BZE/NCOC, ODT/NDT and
THC/CBD at SV of 300 V.
Figure S4. Representative extracted ion chromatogram of urine sample acquired by LC-vDMSSIM/
MS.
Figure S5: Quantification of cocaine and metabolites.
Figure S6. Quantification of cannabinoids THC, CBD, and metabolites (THC-OH, THC-COOH,
THC-COOH-GLU)
Table S1: Short LC-DMS-SIM/MS method performance for 8 drug of abuse and their metabolites
in urine samples.
Table S2: LC-MRM/MS method performance for 8 drug of abuse and its metabolites in urine
samples.
Table S3: LC-vDMS-SIM/MS method performance for 5 cannabinoids in urine samples.
Table S4. LC-MRM/MS method performance for 5 cannabinoids in urine samples.
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