MUSCLE: automated multi-objective evolutionary optimization of targeted LC-MS/MS analysis.
basic_science · Level V
Where this comes from
- Record sourced from PubMed, PMID 25388146.
- Also identified by DOI 10.1093/bioinformatics/btu740 and PMC identifier 4380028.
- Licence recorded as CC BY.
- The licence permits redistribution, so the abstract is shown in full and the full text is available from the publisher.
Abstract
Developing liquid chromatography tandem mass spectrometry (LC-MS/MS) analyses of (bio)chemicals is both time consuming and challenging, largely because of the large number of LC and MS instrument parameters that need to be optimized. This bottleneck significantly impedes our ability to establish new (bio)analytical methods in fields such as pharmacology, metabolomics and pesticide research. We report the development of a multi-platform, user-friendly software tool MUSCLE (multi-platform unbiased optimization of spectrometry via closed-loop experimentation) for the robust and fully automated multi-objective optimization of targeted LC-MS/MS analysis. MUSCLE shortened the analysis times and increased the analytical sensitivities of targeted metabolite analysis, which was demonstrated on two different manufacturer's LC-MS/MS instruments.
Medical subject headings
- Chromatography, Liquid
- Software
- Steroids