Optimization of LC-Orbitrap-HRMS acquisition and MZmine 2 data processing for nontarget screening of environmental samples using design of experiments (Q31135411)

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English	Optimization of LC-Orbitrap-HRMS acquisition and MZmine 2 data processing for nontarget screening of environmental samples using design of experiments	scientific article

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scholarly article

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Europe PubMed Central

PubMed publication ID

29 June 2017

Optimization of LC-Orbitrap-HRMS acquisition and MZmine 2 data processing for nontarget screening of environmental samples using design of experiments (English)

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Europe PubMed Central

PubMed publication ID

29 June 2017

data processing

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based on heuristic

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object named as

Tobias Schulze

4

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3

object named as

Werner Brack

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Europe PubMed Central

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29 June 2017

2

object named as

Martin Krauss

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29 June 2017

author name string

Meng Hu

1

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29 June 2017

language of work or name

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publication date

7 October 2016

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29 June 2017

Analytical and Bioanalytical Chemistry

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Europe PubMed Central

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29 June 2017

408

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Europe PubMed Central

PubMed publication ID

29 June 2017

28

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Europe PubMed Central

PubMed publication ID

29 June 2017

7905-7915

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Europe PubMed Central

PubMed publication ID

29 June 2017

describes a project that uses

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based on heuristic

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The challenge of micropollutants in aquatic systems

1 reference

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Identification of novel micropollutants in wastewater by a combination of suspect and nontarget screening

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Quantitative target and systematic non-target analysis of polar organic micro-pollutants along the river Rhine using high-resolution mass-spectrometry--Identification of unknown sources and compounds

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Advancing towards universal screening for organic pollutants in waters

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LC-high resolution MS in environmental analysis: from target screening to the identification of unknowns

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MET-COFEA: a liquid chromatography/mass spectrometry data processing platform for metabolite compound feature extraction and annotation

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XCMS: processing mass spectrometry data for metabolite profiling using nonlinear peak alignment, matching, and identification

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MZmine: toolbox for processing and visualization of mass spectrometry based molecular profile data

1 reference

https://api.crossref.org/works/10.1007%2FS00216-016-9919-8

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MZmine 2: modular framework for processing, visualizing, and analyzing mass spectrometry-based molecular profile data

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Identifying the Unknowns by Aligning Fragmentation Trees

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In silico fragmentation for computer assisted identification of metabolite mass spectra

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Identifying Small Molecules via High Resolution Mass Spectrometry: Communicating Confidence

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Non-target screening with high-resolution mass spectrometry: critical review using a collaborative trial on water analysis

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Experimental design in chromatography: a tutorial review

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Optimizing Mass Spectrometry Analyses: A Tailored Review on the Utility of Design of Experiments

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Development of generic liquid chromatography-mass spectrometry methods using experimental design

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Strategy for optimizing LC-MS data processing in metabolomics: a design of experiments approach.

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Time-saving design of experiment protocol for optimization of LC-MS data processing in metabolomic approaches.

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IPO: a tool for automated optimization of XCMS parameters

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Effect-directed analysis supporting monitoring of aquatic environments--An in-depth overview

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Competitive fragmentation modeling of ESI-MS/MS spectra for putative metabolite identification

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10.1007/S00216-016-9919-8

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Europe PubMed Central

PubMed publication ID

29 June 2017

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PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

29 June 2017

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