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

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

(2016) Elizabeth S. Hecht et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

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

(2016) Werner Brack et al.   SCIENCE OF THE TOTAL ENVIRONMENT

Optimization of parameters affecting signal intensity in an LTQ-orbitrap in negative ion mode: A design of experiments approach

(2016) Nikolaos Lemonakis et al.   TALANTA

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

(2015) Emma L. Schymanski et al.   ANALYTICAL AND BIOANALYTICAL CHEMISTRY

IPO: a tool for automated optimization of XCMS parameters

(2015) Gunnar Libiseller et al.   BMC BIOINFORMATICS

Advancing towards universal screening for organic pollutants in waters

(2015) Félix Hernández et al.   JOURNAL OF HAZARDOUS MATERIALS

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

(2015) Matthias Ruff et al.   WATER RESEARCH

MET-COFEA: A Liquid Chromatography/Mass Spectrometry Data Processing Platform for Metabolite Compound Feature Extraction and Annotation

(2014) Wenchao Zhang et al.   ANALYTICAL CHEMISTRY

Identifying Small Molecules via High Resolution Mass Spectrometry: Communicating Confidence

(2014) Emma L. Schymanski et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

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

(2014) Felicity Allen et al.   Metabolomics

A Designed Experiments Approach to Optimization of Automated Data Acquisition during Characterization of Bacteria with MALDI-TOF Mass Spectrometry

(2014) Lin Zhang et al.   PLoS One

Time-Saving Design of Experiment Protocol for Optimization of LC-MS Data Processing in Metabolomic Approaches

(2013) Hong Zheng et al.   ANALYTICAL CHEMISTRY

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

(2013) Christine Hug et al.   ENVIRONMENTAL POLLUTION

Strategy for Optimizing LC-MS Data Processing in Metabolomics: A Design of Experiments Approach

(2012) Mattias Eliasson et al.   ANALYTICAL CHEMISTRY

Identifying the Unknowns by Aligning Fragmentation Trees

(2012) Florian Rasche et al.   ANALYTICAL CHEMISTRY

Experimental design in chromatography: A tutorial review

(2012) D. Brynn Hibbert   JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES

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

(2010) Martin Krauss et al.   ANALYTICAL AND BIOANALYTICAL CHEMISTRY

In silico fragmentation for computer assisted identification of metabolite mass spectra

(2010) Sebastian Wolf et al.   BMC BIOINFORMATICS

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

(2010) Tomáš Pluskal et al.   BMC BIOINFORMATICS

Towards obtaining more information from gas chromatography–mass spectrometric data of essential oils: An overview of mean field independent component analysis

(2010) Mehdi Jalali-Heravi et al.   JOURNAL OF CHROMATOGRAPHY A

An experimental design approach using response surface techniques to obtain optimal liquid chromatography and mass spectrometry conditions to determine the alkaloids in Meconopsi species

(2009) Yan Zhou et al.   JOURNAL OF CHROMATOGRAPHY A

Design of Experiment (DoE) as a Tool for the Optimization of Source Conditions in SEC-ESI-MS of Functional Synthetic Polymers Synthesized via ATRP

(2009) Till Gruendling et al.   MACROMOLECULAR RAPID COMMUNICATIONS