ArticleJournal of the American Society for Mass Spectrometry2013
The (un)certainty of selectivity in liquid chromatography tandem mass spectrometry.
Article in Journal of the American Society for Mass Spectrometry, 2013. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 12 papers.
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Who cites it
12 citing papers in PubMed.
- Light-Reactive Norharmane Derivatization of Lipid Isomers by Matrix-Assisted Laser Desorption/Ionization Mass Spectrometry.Analytical chemistry · 2025Article
- Practical application guide for the discovery of novel PFAS in environmental samples using high resolution mass spectrometry.Journal of exposure science & environmental epidemiology · 2023Article
- Immunoaffinity Plastic Blade Spray Mass Spectrometry for Rapid Confirmatory Analysis of Food Contaminants.Journal of the American Society for Mass Spectrometry · 2022Article
- Immuno-Enriched Microspheres - Magnetic Blade Spray-Tandem Mass Spectrometry for Domoic Acid in Mussels.Analytical chemistry · 2021Article
- USB-Powered Coated Blade Spray Ion Source for On-Site Testing Using Transportable Mass Spectrometry.Journal of the American Society for Mass Spectrometry · 2020Article
- Development and Optimisation of a Multiresidue Method for the Determination of 40 Anthelmintic Compounds in Environmental Water Samples by Solid Phase Extraction (SPE) with LC-MS/MS Detection.Molecules (Basel, Switzerland) · 2019Article
- Novel Selectivity-Based Forensic Toxicological Validation of a Paper Spray Mass Spectrometry Method for the Quantitative Determination of Eight Amphetamines in Whole Blood.Journal of the American Society for Mass Spectrometry · 2017Article
- The analysis of tetracyclines, quinolones, macrolides, lincosamides, pleuromutilins, and sulfonamides in chicken feathers using UHPLC-MS/MS in order to monitor antibiotic use in the poultry sector.Analytical and bioanalytical chemistry · 2017Article
- Correction of precursor and product ion relative abundances in order to standardize CID spectra and improve EcomMetabolomics : Official journal of the Metabolomic Society · 2015Article
- The assessment of selectivity in different Quadrupole-Orbitrap mass spectrometry acquisition modes.Journal of the American Society for Mass Spectrometry · 2015Article
- Detection of Gelatin Adulteration in Traditional Chinese Medicine: Analysis of Deer-Horn Glue by Rapid-Resolution Liquid Chromatography-Triple Quadrupole Mass Spectrometry.Journal of analytical methods in chemistry · 2015Article
- MS2Analyzer: A software for small molecule substructure annotations from accurate tandem mass spectra.Analytical chemistry · 2014Article
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Authors and funding
3 authors.
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No grant is acknowledged in the PubMed record.
Abstract
We developed a procedure to determine the "identification power" of an LC-MS/MS method operated in the MRM acquisition mode, which is related to its selectivity. The probability of any compound showing the same precursor ion, product ions, and retention time as the compound of interest is used as a measure of selectivity. This is calculated based upon empirical models constructed from three very large compound databases. Based upon the final probability estimation, additional measures to assure unambiguous identification can be taken, like the selection of different or additional product ions. The reported procedure in combination with criteria for relative ion abundances results in a powerful technique to determine the (un)certainty of the selectivity of any LC-MS/MS analysis and thus the risk of false positive results. Furthermore, the procedure is very useful as a tool to validate method selectivity.
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