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Orbitrap_SciLib
Reputable Mentor II
Reputable Mentor II

Ensuring the safety of the world’s drinking water supply is critically important. The health of the world’s lakes, rivers, streams and oceans can be impacted by human and natural activities, and monitoring of these resources is of increasing concern worldwide. Screening water samples for targeted contaminants, such as pesticides, herbicides, and other pollutants, followed by quantification of these contaminants, is one possible experiment. Screening water samples for unknown contaminants is another possible experiment and is one of the most challenging workflows in the laboratory, requiring a different experimental and data analysis approach. High-resolution, accurate-mass (HR/AM) mass spectrometry is ideally suited for this difficult analysis. With the high-resolution capabilities and fast scanning speed of Orbitrap™-based platforms, screening water for hundreds of contaminants can be performed in less time than ever before. Results can be delivered quickly, and the safety of our water can be ensured.

For additional resources, search the Orbitrap Science Library 1GoArrow.png

Overview

Workflow Overview for Targeted Environmental Contaminant Screening & Quantification


For targeted screening of water, field-collected samples arrive at the lab and are logged into the system. Samples are processed and contaminants are extracted using various extraction techniques, from online solid-phase extraction to offline extractions, prior to analysis on the mass spectrometer.  The data is scrutinized using automated software and the results are verified by the scientist. The goal for most targeted screening workflows is to identify if a contaminant is present, and if it is, how much is in the sample.





Workflows_Environmental%282%29.jpg


 

Resources

 

Identification of transformation products of organic contaminants in natural waters by computer-aide...

Kern S, Fenner K, et al.
Environ Sci Technol. 2009 Sep 15;43(18):7039-46.

 

High-resolution mass spectrometry method for the detection, characterization and quantitation of pha...

Pinhancos R, Maass S, et al.
J Mass Spectrom. 2011 Nov;46(11):1175-81.

 

Rapid quantification of pharmaceuticals and pesticides in passive samplers using ultra high performa...

Wille K, Claessens M, et al.
J Chromatogr A. 2011 Dec 23;1218(51):9162-73.

Workflow Overview for Targeted Screening & Quantitation of Environmental Contaminants


For targeted screening of water, field-collected samples arrive at the lab and are logged into the system. Samples are processed and contaminants are extracted using various extraction techniques, from online solid-phase extraction to offline extractions, prior to analysis on the mass spectrometer.  The data is scrutinized using automated software and the results are verified by the scientist. The goal for most targeted screening workflows is to identify if a contaminant is present, and if it is, how much is in the sample.





Workflows_Environmental-3.jpg


 

Resources

 

Identification of transformation products of organic contaminants in natural waters by computer-aide...

Kern S, Fenner K, et al.
Environ Sci Technol. 2009 Sep 15;43(18):7039-46.

 

High-resolution mass spectrometry method for the detection, characterization and quantitation of pha...

Pinhancos R, Maass S, et al.
J Mass Spectrom. 2011 Nov;46(11):1175-81.

 

Rapid quantification of pharmaceuticals and pesticides in passive samplers using ultra high performa...

Wille K, Claessens M, et al.
J Chromatogr A. 2011 Dec 23;1218(51):9162-73.

Sample Preparation

Sample Preparation Workflow for Targeted Screening & Quantitation of Environmental Contaminants


Due to the complexity of the regulations for environmental testing around the world, many different sample preparation techniques are utilized. For regulations that use solid-phase extraction (SPE), the process can be automated by using the Thermo Scientific Dionex AutoTrace system, or online pre-concentration and cleanup can be performed with the Thermo Scientific EQuan MAX system. Offline SPE is also utilized.

Data Analysis

Data Analysis Workflow for Targeted Screening & Quantitation of Environmental Contaminants


FoodEnv_DataAnalysis.jpg

Targeted screening and quantification analysis can be performed using Thermo Scientific TraceFinder and ExactFinder software.  TraceFinder™ software is the software of choice for environmental analysis labs. It helps scientists quickly decide if the sample is contaminated by using an easy-to-view Data Review section with contaminant flags. The software has a simple 4-click process for selecting an MS method, inputting the sample sequence, running the sample, and reviewing the data.  This software increases the throughput of any environmental lab. For screening results, ExactFinder™ software is the ideal software choice for data processing. It allows samples to be screened for the presence of a targeted list of compounds and flags the samples that contain contaminants above a certain threshold.


Products

 

Thermo Scientific TraceFinder Software

Download the brochure
 

 

Thermo Scientific ExactFinder Software
Download the brochure






 

Resources

 

Identification of transformation products of organic contaminants in natural waters by computer-aide...

Kern S, Fenner K, et al.
Environ Sci Technol. 2009 Sep 15;43(18):7039-46.

 

High-resolution mass spectrometry method for the detection, characterization and quantitation of pha...

Pinhancos R, Maass S, et al.
J Mass Spectrom. 2011 Nov;46(11):1175-81.

 

Rapid quantification of pharmaceuticals and pesticides in passive samplers using ultra high performa...

Wille K, Claessens M, et al.
J Chromatogr A. 2011 Dec 23;1218(51):9162-73.

 

Mass Spectrometry

Mass Spectrometry Workflow for Targeted Screening & Quantitation of Environmental Contaminants


The use of UHPLC in environmental analysis has been growing steadily to decrease the turnaround analysis time per sample.  Advances in Orbitrap™ technology have been made to accommodate the requirements associated with UHPLC, namely, HR/AM and high speed scanning. 
 
With these benefits in mind, here are a few highlights that will help you acquire the targeted screening and quantitation data in which you are most interested. Our full-scan, data-dependant MS/MS methods enable targeted screening and quantification for contaminants:

  • Targeted mass lists are used to trigger MS/MS analysis of compounds of interest.

 

  • The system rapidly and automatically performs MS/MS on the components detected in the MS spectrum with high resolution and accurate mass at a speed amenable to UHPLC.

 

  • After data is acquired and components are identified, the data can always be re-interrogated for new compounds of interest.

 

  • Full-scan MS and MS/MS allows confirmation and quantification of identity in the same run.

 

Products

 

Thermo Scientific Accela High Speed LC
Download the brochure

 
Thermo Scientific Dionex UltiMate 3000 HPLC series


Thermo Scientific EQuan MAX high throughput LC-MS solution 
Download the brochure

Resources

 

Identification of transformation products of organic contaminants in natural waters by computer-aide...

Kern S, Fenner K, et al.
Environ Sci Technol. 2009 Sep 15;43(18):7039-46.

 

High-resolution mass spectrometry method for the detection, characterization and quantitation of pha...

Pinhancos R, Maass S, et al.
J Mass Spectrom. 2011 Nov;46(11):1175-81.

 

Rapid quantification of pharmaceuticals and pesticides in passive samplers using ultra high performa...

Wille K, Claessens M, et al.
J Chromatogr A. 2011 Dec 23;1218(51):9162-73.

Version history
Last update:
‎07-30-2021 09:25 AM
Updated by: