Rapid analysis of amphetamine ‐type substances using Agilent's QuickProbe gas chromatograph/mass spectrometer technology
AbstractThe Agilent QuickProbe gas chromatograph/mass spectrometer (QP-GCMS) is a rapid analytical instrument requiring minimal sample preparation. The instrument was considered for the screening of samples for potential implementation at New Zealand's border screening laboratory. One of the project's primary aims was to validate the method for the analysis of border seizures, including drug concealments, novel psychoactive substances (NPS), low-dose drugs and unknown substances. For the application to be useful beyond the capabilities of current handheld point-of-contact (POC) devices, the initial evaluation has included ...
Source: Journal of Mass Spectrometry - October 31, 2023 Category: Chemistry Authors: Chrissy Black,
Matthew Russell,
Erina Mayo,
Craig Aitcheson Tags: RESEARCH ARTICLE Source Type: research
From electrospray ionization to cold ‐spray ionization: How to evaluate the cooling effect on the gaseous ions?
AbstractTwo methods of survival yields (SY) measurement treatment of thermometer ions whose fragmentation is activated by in-source collision induced dissociation have been investigated for evaluating the mean internal (<Eint>) and thermal (<Etherm>) energies of gaseous ions produced by electrospray ionization and cold-spray ionization (CSI). One of the methods is based on the use of the internal energy distributions (P (Eint)) as sigmoid derivatives connecting the experimental survival yields of different substituted benzylpyridinium cations. The<Eint> values are therefore converted in a thermal-like par...
Source: Journal of Mass Spectrometry - October 31, 2023 Category: Chemistry Authors: Emilie Bertrand,
David Rondeau,
Thomas Delhaye,
Xavier Castel,
Mohamed Himdi Tags: RESEARCH ARTICLE Source Type: research
Mass spectrometry ‐based gas phase intramolecular benzyl migration in sparsentan, a novel endothelin and angiotensin II receptor antagonist
We report a collision-induced dissociation (CID) based gas phase rearrangement study using quadrupole time-of-flight mass spectrometry coupled with liquid chromatography on a novel endothelin and angiotensin II receptor antagonist, sparsentan. We performed tandem mass spectrometry to identify precursor and fragment ion relationships and assigned structures for major fragment ions. We propose a benzyl migration mechanism based on bond length measurements in density functional theory (B3LYP/6-31+G*) optimized geometries of protonated sparsentan and itsm/z 547 fragment. Protonated sparsentan undergoes loss of ethanol, which y...
Source: Journal of Mass Spectrometry - October 31, 2023 Category: Chemistry Authors: Sudam S. Mane,
Manoj Ghaste,
David V. Dearden Tags: RESEARCH ARTICLE Source Type: research
The 7th MS Food Day conference: mass spectrometry in food
(Source: Journal of Mass Spectrometry)
Source: Journal of Mass Spectrometry - October 20, 2023 Category: Chemistry Authors: Gianluca Giorgi Tags: EDITORIAL Source Type: research
Cover Picture
(Source: Journal of Mass Spectrometry)
Source: Journal of Mass Spectrometry - October 18, 2023 Category: Chemistry Tags: COVER PICTURE Source Type: research
Issue Information
No abstract is available for this article. (Source: Journal of Mass Spectrometry)
Source: Journal of Mass Spectrometry - October 18, 2023 Category: Chemistry Tags: ISSUE INFORMATION Source Type: research
Collision cross section measurement and prediction methods in omics
AbstractOmics studies such as metabolomics, lipidomics, and proteomics have become important for understanding the mechanisms in living organisms. However, the compounds detected are structurally different and contain isomers, with each structure or isomer leading to a different result in terms of the role they play in the cell or tissue in the organism. Therefore, it is important to detect, characterize, and elucidate the structures of these compounds. Liquid chromatography and mass spectrometry have been utilized for decades in the structure elucidation of key compounds. While prediction models of parameters (such as ret...
Source: Journal of Mass Spectrometry - September 6, 2023 Category: Chemistry Authors: Kimberly Y. Kartowikromo,
Orobola E. Olajide,
Ahmed M. Hamid Tags: REVIEW ARTICLE Source Type: research
Understanding the fragmentation of glucose in mass spectrometry
AbstractThe fragmentation mechanism of D-glucose was investigated in detail by two different fragmentation techniques, namely, collision-induced dissociation (CID) and infrared multiphoton dissociation (IRMPD) using all six13C-labeled isotopomers and2H-labeled isotopomers. For both CID and IRMPD energy-resolved measurements were carried out. Individual fragmentation pathways were studied at MS2 and MS3 levels. Additionally, we have developed an HPLC-tandem MS method to separate the anomers of D-glucose using a HILIC column and investigated their fragmentation patterns individually. We propose a complete fragmentation lands...
Source: Journal of Mass Spectrometry - August 24, 2023 Category: Chemistry Authors: Maria A. Patras,
Juan Z. Davalos,
Nikolai Kuhnert Tags: SPECIAL ISSUE ‐ RESEARCH ARTICLE Source Type: research
Exploration of chiral drugs as references for chiral discrimination of valsartan and voriconazole by tandem mass spectrometry
In this study, chiral drugs could be applied as references for the chiral recognition and enantiomeric quantification of valsartan and voriconazole. Two novel pairs of metal-bound diastereomeric complex ions were detected by mass spectrometry, namely, nickel (II)-bound dimeric ions [NiII (2R,5S-emtricitabine) (S-valsartan)-H]+ and [NiII (2R,5S-emtricitabine) (R-valsartan)-H]+ and copper (II)-bound dimeric ions [CuII (S,S,S-enalaprilat) (2S,3R-voriconazole)-H]+ and [CuII (S,S,S-enalaprilat) (2R,3S-voriconazole)-H]+. The resulting diastereomers were successfully identified based on the relative intensities of their character...
Source: Journal of Mass Spectrometry - August 23, 2023 Category: Chemistry Authors: Xue Yang,
Wei Li,
Jie Liu,
Lan He,
Yang Liu,
Caiyu Zhang Tags: RESEARCH ARTICLE Source Type: research
