Pipelines and Systems for Threshold-Avoiding Quantification of LC-MS/MS Data.

ABSTRACT: The accurate processing of complex liquid chromatography coupled to tandem mass spectrometry (LC-MS/MS) data from biological samples is a major challenge for metabolomics, proteomics, and related approaches. Here, we present the pipelines and systems for threshold-avoiding quantification (PASTAQ) LC-MS/MS preprocessing toolset, which allows highly accurate quantification of data-dependent acquisition LC-MS/MS datasets. PASTAQ performs compound quantification using single-stage (MS1) data and implements novel algorithms for high-performance and accurate quantification, retention time alignment, feature detection, and linking annotations from multiple identification engines. PASTAQ offers straightforward parameterization and automatic generation of quality control plots for data and preproce

SUBMITTER: Sanchez Brotons A 

PROVIDER: S-EPMC8374884 | biostudies-literature | 2021 Aug

REPOSITORIES: biostudies-literature