Comparison of Drug Detection by Three Quadrupole Time-of-Flight Mass Spectrometry Platforms

Marin, Stephanie J.; Sawyer, Jason; He, Xiang; Johnson-Davis, Kamisha L.

doi:10.1093/jat/bku134

Cited by 17 publications

(6 citation statements)

References 14 publications

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“…Martin et al [24] compared the performance of three types of LC-QTOF-MS/MS platforms created by three different manufacturers including the Sciex Triple TOF 5600 system used in the present study. There are usually three parameters for compound identification by LC-QTOF-MS/ MS: mass errors not greater than 4 or 5 ppm, RT differences with 0.2-0.5 min, and similarities of MS/MS spectrum profiles.…”

Section: Discussionmentioning

confidence: 99%

Development and application of a forensic toxicological library for identification of 56 natural toxic substances by liquid chromatography–quadrupole time-of-flight mass spectrometry

et al. 2019

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Purpose The present study aims to develop a forensic toxicological library to identify 56 natural toxic substances by liquid chromatography-quadrupole time-of-flight tandem mass spectrometry (LC-QTOF-MS/MS). Methods For setting up the library of product ion spectra, individual substances (31 plant toxins, 7 mushroom toxins, 5 marine toxins, 5 frog venoms, 4 mycotoxins, and 4 substances derived from plants) were analyzed by LC-QTOF-MS/MS with positive and negative ionization. The product ion spectra were acquired at the collision energies (CEs) of 20, 35, and 50 eV in single enhanced product ion mode and then in collision energy spread mode in which the CE ramp range was set to 35 ± 15 eV. Results To test the performance of the library, human blood plasma samples were spiked with a mixture of lycorine and domoic acid, extracted by acetonitrile deproteinization and analyzed by LC-QTOF-MS/MS. Identification by our library search could be achieved for these toxins at the purity scores of 79.1 and 67.2, respectively. The method was also applied to postmortem blood from a death case with an aconite intake, and showed that four toxins in an aconite could be identified in the blood sample at the purity scores of 54.6-60.3. Conclusions This library will be more effective for the screening of natural toxic substances in routine forensic toxicological analysis. To our knowledge, there are no reports dealing with development of library for natural toxic substances by LC-QTOF-MS/MS.

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Section: Discussionmentioning

confidence: 99%

Development and application of a forensic toxicological library for identification of 56 natural toxic substances by liquid chromatography–quadrupole time-of-flight mass spectrometry

et al. 2019

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“…The other amines were purchased from vendors as follows. N-Benzyl-N-propylamine (2), 1-phenylpropan-1-amine (7), (S)-1-phenylbutylamine (9), N-methyl-2-phenylethan-1-amine (11), N,N-dimethyl-2-phenylethan-1-amine (12), N-methyl-2-phenylpropan-1-amine (phenpromethamine), 4-phenylbutan-2-amine (19), and 4-phenyl-1-butanamine (20) were from Sigma-Aldrich (St. Louis, MO, USA); 1-phenylbutan-2-amine (17, HCl salt) and 4-methylamphetamine (22, HCl salt) were from Cayman Chemical (Ann Arbor, MI, USA); N-benzylpropan-2-amine (3), N-methyl-1-phenylethan-1-amine (5), N-ethyl-1-phenylethanamine (6), N-methyl-1-phenylpropan-1-amine (8), (14), and 18 other amines 2-methyl-1-phenylpropylamine (10), 3-phenylpropan-1-amine (18) and N-benzylethanamine (1) were from Fujifilm Wako Pure Chemical (Osaka, Japan); N-benzyl-N-methylethanamine (4) was from Tokyo Chemical Industry (Tokyo, Japan); and 2-phenylpropan-1-amine (BMPEA) was from Ark Pharm (Arlington Heights, IL, USA). Each amine was dissolved in methanol or distilled water.…”

Section: Methodsmentioning

confidence: 99%

“…High-resolution mass spectrometry with a time-of-flight mass spectrometry (TOF-MS) instrument has a strong ability to discriminate compounds [5], but it is not effective for discriminating isomers. Collision-induced dissociation (CID) by tandem mass spectrometry (MS/MS) provides useful information for distinguishing isomers.…”

Section: Introductionmentioning

confidence: 99%

A novel method to distinguish β-methylphenylethylamines from isomeric α-methylphenylethylamines by liquid chromatography coupled to electrospray ionization mass spectrometry

Tsumura

Kiguchi

Komatsuzaki³

et al. 2019

Forensic Toxicol

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Purpose Various phenylethylamines have been detected lately in dietary or sports supplements. N-Methyl-2-phenylpropan-1-amine (phenpromethamine) and 2-phenylpropan-1-amine (β-methylphenylethylamine, BMPEA) are known to produce mass spectra almost identical to those produced by methamphetamine (MA) and amphetamine (AP), respectively, when analyzed by liquid chromatography/mass spectrometry (LC/MS). They may interfere with the analysis of MA and AP. The aims of the present study were to determine whether some substances other than phenpromethamine and BMPEA give mass spectra similar to those given by MA or AP and to develop an analytical method of distinguishing phenpromethamine from MA and BMPEA from AP by derivatization. Methods Twenty isomers of MA or AP were selected to be analyzed using LC/MS. Six reagents were examined for derivatization of MA, AP, phenpromethamine, and BMPEA. Three mass spectrometers from two manufacturers were evaluated for their ability to reproduce the data. Results All isomers except phenpromethamine and BMPEA were shown to be distinguishable from MA and AP by their mass spectra. For the discrimination of isomeric pairs, derivatization using N-succinimidyl-4-nitrophenylacetate was found to be the best for tandem mass spectrometry and that using 4-nitrobenzoyl chloride was the best for in-source collision-induced dissociation. One or more ions from each pair of isomers gave adequate difference in their relative intensities according to the World Anti-Doping Agency criteria. Conclusions The newly developed method was proved to be usable for discriminating among those phenylethylamines.

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“…In a study by Marin et al, the performance of compound identification across three LC-Q-TOF-MS platforms from different vendors was assessed with all platforms showing drug detection >90% for spiked plasma samples and >75% for spiked urine samples. 29…”

Section: Compound Identificationmentioning

confidence: 99%

Quadrupole Time-of-Flight Mass Spectrometry: A Paradigm Shift in Toxicology Screening Applications

Allen¹,

McWhinney²

2019

CBR

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The screening of biological samples for the presence of illicit or legal substances is an important frontline tool in both clinical and forensic toxicology. In the clinical setting, drug screening is a useful tool for the clinician in improving patient care and guiding treatment. Analytical approaches for the screening of drugs in biological samples are extensive and well documented, though many rapid screening techniques often lack appropriate sensitivity and specificity, requiring careful clinical interpretation. The continuous emergence of new psychoactive substances presents a considerable analytical challenge in maintaining up-to-date methods for the detection of relevant drugs. Adapting and validating methods for the detection of new substances can be a complicated and costly undertaking. There is also a considerable lag time between the emergence of new drugs and the release of commercial assays for detection. Quadrupole time-of-flight mass spectrometry (Q-TOF-MS) has gained considerable attention over the last decade as an analytical technique that is capable of meeting the challenges of a rapidly changing drug landscape. Exhibiting both high sensitivity and specificity in drug detection, Q-TOF-MS also allows methods to be rapidly updated for newly emerging psychoactive agents. The coupling of Q-TOF-MS with techniques such as liquid or gas chromatography can provide both rapid and comprehensive screening solutions that are gaining popularity in the clinical laboratory setting.

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Comparison of Drug Detection by Three Quadrupole Time-of-Flight Mass Spectrometry Platforms

Cited by 17 publications

References 14 publications

Development and application of a forensic toxicological library for identification of 56 natural toxic substances by liquid chromatography–quadrupole time-of-flight mass spectrometry

Development and application of a forensic toxicological library for identification of 56 natural toxic substances by liquid chromatography–quadrupole time-of-flight mass spectrometry

A novel method to distinguish β-methylphenylethylamines from isomeric α-methylphenylethylamines by liquid chromatography coupled to electrospray ionization mass spectrometry

Quadrupole Time-of-Flight Mass Spectrometry: A Paradigm Shift in Toxicology Screening Applications

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