Eawag: Umweltchemie: MZmine 2 toolbox

Screening of Lake Sediments for Emerging Contaminants by Liquid Chromatography Atmospheric Pressure Photoionization and Electrospray Ionization Coupled to High Resolution Mass Spectrometry. DOI: 10.1021/es303888v

Stravs, M.A., Schymanski, E.L., Singer, H. P., Hollender, J. (2013): Automatic Recalibration and Processing of Tandem Mass Spectra Using Formula Annotation, Journal of Mass Spectrometry, 48 (1), 89-99. DOI: 10.1002/jms.3131

Multiresidue analysis of 88 polar organic micropollutants in ground, surface and
wastewater using online mixed-bed multilayer solid-phase extraction coupled to
high performance liquid chromatography–tandem mass spectrometry

"Redox Properties of Structural Fe in Clay Minerals. 2. Electrochemical and Spectroscopic Characterization of Electron Transfer Irreversibility in Ferruginous Smectite, SWa-1"

"Redox Properties of Structural Fe in Clay Minerals. 1. Electrochemical Quantification of Electron-Donating and -Accepting Capacities of Smectites"

"Pesticide Nonextractable Residue Formation in Soil: Insights from Inverse Modeling of Degradation Time Series"

"Transfer Kinetics of Polar Organic Compounds over Polyethersulfone
Membranes in the Passive Samplers Pocis and Chemcatcher"

Umweltchemie

MZmine 2 toolbox

Alternatively, and as outlined in the user manual, the peak picking tools ‘chromatogram builder’ and ‘chromatogram deconvolution’ from the MZmine 2 toolbox can be used to create the required peak lists in tab-delimited text file format (*.txt). The open-source MZmine 2 toolbox is available at

http://mzmine.sourceforge.net/

The installation requirements for MZmine (Java and import filter for the raw data file formats of the different MS manufacturer) can be found on the MZmine homepage.

Kontakt

Mueller Sciacovelli Aduccia
Eawag
Umweltchemie
Überlandstrasse 133
Postfach 611
CH-8600 Dübendorf
Tel. +41 (0)58 765 54 25
Fax +41 (0)58 765 58 26
email: sciacoad@eawag.ch