Interpretation of MS–MS spectra of small-molecule signal transduction inhibitors using accurate-m/z data and m/z-shifts with stable-isotope-labeled analogues and metabolites

Niessen, W.M.A.; Rosing, Hilde; Beijnen, Jos H.

doi:10.1016/j.ijms.2021.116559

Cited by 4 publications

(2 citation statements)

References 176 publications

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“…The SRM transitions used for the quantitation and identification are listed in Table 1 . They also correspond with previously published literature [ 30 , 43 ].…”

Section: Resultssupporting

confidence: 92%

Determination of Tyrosine Kinase Inhibitors via Capillary Electrophoresis with Tandem Mass Spectrometry and Online Stacking Preconcentration

Petr

2023

Pharmaceuticals

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Capillary electrophoresis connected with tandem mass spectrometry was employed for the development of a method for determination of various tyrosine kinase inhibitors in plasma samples. A stacking online preconcentration with a 120 cm-long capillary was used for the determination of bosutinib, dasatinib, canertinib, and erlotinib at physiologically relevant concentrations. The optimization included both capillary electrophoresis and mass spectrometry steps. Under optimal conditions, 50 mM formic acid pH 2.5, an injection time of 120 s, and an optimized mass spectrometry set-up (as sheath liquid composition 75:24.9:0.1 (v/v) methanol, water, formic acid, and appropriate conditions for ion transitions), LODs in a range of 3.9–23.0 nmol.L−1 were observed. The method was validated in terms of linearity, limit of detection, limit of quantification, repeatability of migration times and peak area, and recovery using plasma as a matrix for analytes. The results showed that this method has great promise for use in many analytical tasks, e.g., therapeutic drug monitoring.

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“…The SRM transitions used for the quantitation and identification are listed in Table 1 . They also correspond with previously published literature [ 30 , 43 ].…”

Section: Resultssupporting

confidence: 92%

Determination of Tyrosine Kinase Inhibitors via Capillary Electrophoresis with Tandem Mass Spectrometry and Online Stacking Preconcentration

Petr

2023

Pharmaceuticals

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“…For MS n operation, tandem mass spectra were generated by optimizing collision energies according to the precursor ion (Table S1). For derivatives ( 3) and ( 4), MS/MS mass spectra exhibited a single fragment ion due to the loss of the morpholine unit ( 87.0 Da, C4H9NO) [15], at m/z 286.1 and m/z 258.0, respectively. By fragmenting precursor ion at m/z 286.1 with a collision energy of 8.8 eV, five major fragments were generated at m/z 204.0 (C13H18NO + ), m/z 173.0 (C13H17 + ), m/z 161.0 (C10H11NO + ), m/z 105.0 (C8H9 + ), and m/z 91.0 (C7H7 + ) (Figure 3).…”

Section: Mass Spectrometric Characterization Of Morpholine Derivativesmentioning

confidence: 99%

Novel Piperazine and Morpholine Derivatives: Mass Spectrometry Characterization and Evaluation of Their Antimicrobial Properties

Acquavia,

Bonomo,

Bianco

et al. 2023

Preprint

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Recently, pharmaceutical research has been focused on the design of new antibacterial drugs with higher selectivity towards several strains. Major issues concern the possibility to obtain com-pounds with fewer side effects, at the same time effectively overcoming the problem of antimi-crobial resistance. Several solutions include the synthesis of new pharmacophores starting from piperazine or morpholine core units. Mass spectrometry-based techniques offer important sup-port for the structural characterization of newly synthesized compounds to design safer and more effective drugs for various medical conditions. Here, two new piperazine derivatives and four new morpholine derivatives were synthesized and structurally characterized through a combined approach of FT-ICR and LTQ mass spectrometry. The support of both high-resolution and low-resolution mass spectrometric data namely accurate mass measurements, isotopic distribu-tion and MSn spectra, was crucial to confirm the success of the synthesis. These compounds were further evaluated for inhibitory activity against a total of twenty-nine Gram-positive and Gram-negative bacteria to determine the action spectrum and the antimicrobial effectiveness. Results demonstrated compounds’ antimicrobial activity against many tested bacterial species, providing an inhibitory effect linked to different chemical structure and suggesting that the new-synthesized derivatives could be considered as promising antimicrobial agents.

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Development and validation of an LC–MS/MS method to measure the BRAF inhibitors dabrafenib and encorafenib quantitatively and four major metabolites semi-quantitatively in human plasma

Myszkiewicz,

Puzanov,

Goey

2023

Journal of Pharmaceutical and Biomedical Analysis

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Interpretation of MS–MS spectra of small-molecule signal transduction inhibitors using accurate-m/z data and m/z-shifts with stable-isotope-labeled analogues and metabolites

Cited by 4 publications

References 176 publications

Determination of Tyrosine Kinase Inhibitors via Capillary Electrophoresis with Tandem Mass Spectrometry and Online Stacking Preconcentration

Determination of Tyrosine Kinase Inhibitors via Capillary Electrophoresis with Tandem Mass Spectrometry and Online Stacking Preconcentration

Novel Piperazine and Morpholine Derivatives: Mass Spectrometry Characterization and Evaluation of Their Antimicrobial Properties

Development and validation of an LC–MS/MS method to measure the BRAF inhibitors dabrafenib and encorafenib quantitatively and four major metabolites semi-quantitatively in human plasma

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