Scalable Analysis of Untargeted LC-HRMS Data by Means of SQL Database Archiving
Sign Up to like & getrecommendations! Published in 2023 at "Analytical Chemistry"
DOI: 10.1021/acs.analchem.2c03769
Abstract: Liquid chromatography-high-resolution mass spectrometry (LC-HRMS) is widely used to detect chemicals with a broad range of physiochemical properties in complex biological samples. However, the current data analysis strategies are not sufficiently scalable because of data… read more here.
Keywords: database archiving; untargeted hrms; data analysis; analysis ... See more keywords
LC-HRMS Data Processing Strategy for Reliable Sample Comparison Exemplified by the Assessment of Water Treatment Processes.
Sign Up to like & getrecommendations! Published in 2017 at "Analytical chemistry"
DOI: 10.1021/acs.analchem.7b03037
Abstract: The behavior of micropollutants in water treatment is an important aspect in terms of water quality. Nontarget screening by liquid chromatography coupled to high-resolution mass spectrometry (LC-HRMS) offers the opportunity to comprehensively assess water treatment… read more here.
Keywords: data processing; water; water treatment; treatment ... See more keywords
Formulae Differences Commence a Database for Interlaboratory Studies of Natural Organic Matter.
Sign Up to like & getrecommendations! Published in 2023 at "Environmental science & technology"
DOI: 10.1021/acs.est.2c08002
Abstract: Direct comparison of high-resolution mass spectrometry (HRMS) data acquired with different instrumentation or parameters remains problematic as the derived lists of molecular species via HRMS, even for the same sample, appear distinct. This inconsistency is… read more here.
Keywords: database; differences commence; commence database; formulae ... See more keywords