A proteomics data pipeline transforms raw mass spectrometry spectra into biologically interpretable protein-level ...

Researchers built an automated mass spectrometry and molecular mapping platform to track how human liver cells process ...

Can you describe how the untargeted ultrahigh-performance liquid chromatography–high resolution tandem mass spectrometry (UHPLC–HRMS/MS) workflow was designed to capture both known salicylates and ...

Isotope labeling is a fundamental technique in chemistry and biochemistry for investigating molecular structures, reaction mechanisms, and metabolic pathways. The accurate determination of isotope ...

Researchers from Yunnan University, the Shanghai Astronomical Observatory (SHAO) of the Chinese Academy of Sciences, and the National Astronomical Observatory of Japan have unveiled new insights into ...

MASSISTANT predicts molecular structures from GC-EI-MS spectra using SELFIES encoding, overcoming traditional database limitations. SELFIES encoding ensures valid molecular predictions, unlike SMILES, ...

Increased backlogs of seized drug samples, rapid turnaround times, and the emergence of many novel psychoactive substances (NPS) are major challenges for the forensic community worldwide. This article ...

Creative Commons (CC): This is a Creative Commons license. Attribution (BY): Credit must be given to the creator. In mass spectrometry, fragmentation spectra play a central role in compound ...

First release of software for intepreting and explaining high resolution GC-MS mass spectra. Attention!!! Resolution and mass determination accuracy should be set for your mass spectrometer based on ...