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Tandem Mass Spectrometry

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A fatal case involved in pyrethroid insecticide ingestion: quantification of tetramethrin and resmethrin in body fluids of a deceased by LC-MS/MS.

Forensic toxicology
PURPOSE: The quantification of parent molecules of pyrethroids tetramethrin and resmethrin in human specimens by a mass spectrometry (MS) technique has not been reported yet. A woman in her 60s was found dead in a wasteland. At the scene, an empty be...

Polydopamine and silica nanoparticles magnetic solid phase extraction coupled with liquid chromatography-tandem mass spectrometry to determine phenolic acids and flavonoids in fruit wine.

Journal of food and drug analysis
Magnetic solid phase extraction (MSPE) have been widely applied in a variety of sample preparation techniques. Herein, FeO@pDA as the sorbents for MSPE, were developed for the determination of phenolic acids and flavonoids in fruit wine samples in co...

Time-resolved in vivo ubiquitinome profiling by DIA-MS reveals USP7 targets on a proteome-wide scale.

Nature communications
Mass spectrometry (MS)-based ubiquitinomics provides system-level understanding of ubiquitin signaling. Here we present a scalable workflow for deep and precise in vivo ubiquitinome profiling, coupling an improved sample preparation protocol with dat...

Retention time prediction in hydrophilic interaction liquid chromatography with graph neural network and transfer learning.

Journal of chromatography. A
The combination of retention time (RT), accurate mass and tandem mass spectra can improve the structural annotation in untargeted metabolomics. However, the incorporation of RT for metabolite identification has received less attention because of the ...

Deep Convolutional Neural Networks Help Scoring Tandem Mass Spectrometry Data in Database-Searching Approaches.

Journal of proteome research
Spectrum annotation is a challenging task due to the presence of unexpected peptide fragmentation ions as well as the inaccuracy of the detectors of the spectrometers. We present a deep convolutional neural network, called Slider, which learns an opt...

Deep learning for peptide identification from metaproteomics datasets.

Journal of proteomics
Metaproteomics is becoming widely used in microbiome research for gaining insights into the functional state of the microbial community. Current metaproteomics studies are generally based on high-throughput tandem mass spectrometry (MS/MS) coupled wi...

Evaluation of external contamination on the vial surfaces of some hazardous drugs that commonly used in Chinese hospitals and comparison between environmental contamination generated during robotic compounding by IV: Dispensing robot vs. manual compounding in biological safety cabinet.

Journal of oncology pharmacy practice : official publication of the International Society of Oncology Pharmacy Practitioners
OBJECTIVES: The aims of the study were to evaluate the external contamination of hazardous drug vials used in Chinese hospitals and to compare environmental contamination generated by a robotic intelligent dispensing system (WEINAS) and a manual comp...

Assessment of lemon juice quality and adulteration by ultra-high performance liquid chromatography/triple quadrupole mass spectrometry with interactive and interpretable machine learning.

Journal of food and drug analysis
A total of 81 lemon juices samples were detected using an optimized UHPLC-QqQ-MS/MS method and colorimetric assays. Concentration of 3 organic acids (ascorbic acid, malic acid and citric acid), 3 saccharides (glucose, fructose and sucrose) and 6 phen...

A deep learning based approach for prediction of Chlamydomonas reinhardtii phosphorylation sites.

Scientific reports
Protein phosphorylation, which is one of the most important post-translational modifications (PTMs), is involved in regulating myriad cellular processes. Herein, we present a novel deep learning based approach for organism-specific protein phosphoryl...

Deep learning boosts sensitivity of mass spectrometry-based immunopeptidomics.

Nature communications
Characterizing the human leukocyte antigen (HLA) bound ligandome by mass spectrometry (MS) holds great promise for developing vaccines and drugs for immune-oncology. Still, the identification of non-tryptic peptides presents substantial computational...