qBinning: Data Quality-Based Algorithm for Automized Ion Chromatogram Extraction from High-Resolution Mass Spectrometry-Reference-Cited by-同舟云学术

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qBinning: Data Quality-Based Algorithm for Automized Ion Chromatogram Extraction from High-Resolution Mass Spectrometry

Published:2023-09-01 Issue:37 Volume:95 Page:13804-13812
ISSN:0003-2700
Container-title:Analytical Chemistry
language:en
Short-container-title:Anal. Chem.

Author:

Reuschenbach Max¹²^ORCID,Drees Felix¹²,Schmidt Torsten C.¹²³^ORCID,Renner Gerrit¹²^ORCID

Affiliation:

1. Instrumental Analytical Chemistry, University of Duisburg-Essen, Universitätsstr. 5, 45141 Essen, Germany

2. Centre for Water and Environmental Research (ZWU), University of Duisburg-Essen, Universitätsstr. 2, 45141 Essen, Germany

3. IWW Water Center, Moritzstr. 26, 45476 Mülheim an der Ruhr, Germany

Funder

Friedrich-Ebert-Stiftung

Universit?t Duisburg-Essen

Publisher

American Chemical Society (ACS)

Subject

Analytical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.analchem.3c01079

Reference30 articles.

1. Retrospective non-target analysis to support regulatory water monitoring: from masses of interest to recommendations via in silico workflows

2. Recent trends in water analysis triggering future monitoring of organic micropollutants

3. From targeted quantification to untargeted metabolomics: Why LC-high-resolution-MS will become a key instrument in clinical labs

4. Comparison of Software Tools for Liquid Chromatography–High-Resolution Mass Spectrometry Data Processing in Nontarget Screening of Environmental Samples

5. Detailed Investigation and Comparison of the XCMS and MZmine 2 Chromatogram Construction and Chromatographic Peak Detection Methods for Preprocessing Mass Spectrometry Metabolomics Data

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1. qPeaks: A Linear Regression-Based Asymmetric Peak Model for Parameter-Free Automatized Detection and Characterization of Chromatographic Peaks in Non-Target Screening Data;Analytical Chemistry;2024-04-26

2. Handling of problematic ion chromatograms with the Automated Target Screening (ATS) workflow for unsupervised analysis of high-resolution mass spectrometry data;Analytical and Bioanalytical Chemistry;2024-04-01

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