Eawag: Environmental Chemistry: Software

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"

Environmental Chemistry

Software

enviMass version 1.2
Computer workflow for the screening of organic compounds.
New version released!

R package 'non-target'
R tool for grouping of isotopes and adducts to components as well as detection of homologue series out of high resolution mass spectrometer data sets.
NEW!!

R package ‚RMassBank‘
R tool for batch-processing, recalibration and cleanup of HRMS spectra and MassBank record generation

Contact

Mueller Sciacovelli Aduccia
Eawag
Environmental Chemistry
Überlandstrasse 133
P.O. Box 611
8600 Dübendorf
Switzerland

Ph. +41 (0)58 765 54 25
Fax +41 (0)58 765 58 26
email: sciacoad@eawag.ch