Improved identification of multiple drugs of abuse and relative metabolites in urine samples using liquid chromatography/triple quadrupole mass spectrometry coupled with a library search

Abstract

The LC/QqQ-MS/MS method is a comprehensive assay in which tMRM and the product ion scan are combined in a single run by using a QqQ mass analyzer to simultaneously quantify amphetamine, ketamine, morphine, and their relative metabolites in urine. The proposed method can be applied in forensic science.

Determination of ketamine and its major metabolite, norketamine, in urine and plasma samples using microextraction by packed sorbent and gas chromatography-tandem mass spectrometry

“…Table 3 summarizes published methods for the determination of K and NK in plasma and urine. As it can be observed, the LODs obtained using our method are lower than those reported by some authors [2,4,18,28,29,32], but higher than others [17,23,24,30,51]. Among these, the lowest LOQ using GC-MS was reported by Bairros et al [24] (0.5 ng/mL for both K and NK), while Parkin et al [23] achieved a LOD of 0.03 ng/mL for K and 0.05 ng/mL for NK in urine, yet using UHPLC-MS/MS.…”

“…This would be of benefit not only for clinical research, but also for forensic analysis. Several methods have been reported for the determination of K and metabolites in various biological fluids, namely plasma [3,7,18,26] and urine [2,17,18,24,25,27,[28][29][30], using gas chromatography (GC) coupled to either mass spectrometry (MS) [2,18,24,30,31], tandem mass spectrometry (MS/MS) [11,12] or flame ionization detector (FID) [32]; or liquid chromatography (LC) with UV [3,5], MS [6] or MS/MS [22,23,25,27,33,34] detection. Sample preparation is usually performed by means of liquid-liquid extraction (LLE) [5,10,35] or solid-phase extraction (SPE) [7,17,23] procedures.…”

Identification of Plasma Lipidome Changes Associated with Low Dose Space-Type Radiation Exposure in a Murine Model

“…Subsequently, hierarchical clustering analysis was performed to visualize the differential expression of metabolites between the control and irradiated groups ( Figure 3, panel A). Out of 175 metabolites that were found to be dysregulated in the plasma of mice exposed to 0.1 Gy of 16 O, the identities of 51 metabolites and lipids were confirmed by matching MS/MS (Tandem-Mass Spectrometry) fragmentation spectra for each analyte against the NIST (National Institute of Standards and Technology) or METLIN (Scripps Institute, La Jolla, CA, USA) databases; this pipeline has been used by several research groups [18][19][20] (Supplementary Table S1). Exposure to 0.1 Gy of 16 O at 14 days and 90 days resulted in dysregulation of a large number of metabolites and lipids; however, a majority of these features could not be annotated using tandem mass spectrometry which remains a major bottleneck in this area of research.…”