Standards Development

Scope

This document is drafted to describe the conditions for performing, validating and safeguarding nontarget screening of small organic compounds in water (drinking water, ground water, surface water, waste water) by chromatographic separation techniques with by mass spectrometry.

This document can be applied to both liquid chromatography with high resolution mass spectrometry and gas chromatography with mass spectrometry. Both high and low resolution mass spectrometry can be applied, sometimes with some specific rules depending on the technique used with gas chromatography.

The document is divided in three parts. The first part gives fundamental aspects in the use of chromatography in combination with mass spectrometry for non-target screening of small organic compounds in water. The second part gives the ultimate working procedure of non-target screening with liquid chromatography with high resolution mass spectrometry. The third part gives ultimate working procedure of non-target screening with gas chromatography with mass spectrometry. The second and third parts of this document refer to the reader to these guidelines for the basic principles of the method and for the configuration of the instruments.

(Resolution 446 (Rovaniemi-26/2023: The first and second part of this document are submitted as NWIP. Part 3 will be initiated in the future after the initial work on Part 1 and 2 has been completed)

This first part of standard ISO 13808 is intended to show fundamental aspects in the use of chromatography in combination with mass spectrometry for non-target screening of small organic compounds in water drinking water, ground water, surface water.

The standard can be applied to both liquid chromatography with high resolution mass spectrometry and gas chromatography with mass spectrometry. Both high and low resolution mass spectrometry can be applied with gas chromatography, sometimes with some specific rules depending on the technique used.

The ultimate working procedure of non-target screening is described in two separated International Standard and provides criteria for carrying out, validating and safeguarding non-target screening. The individual parts of this Internal Standard refer to the reader to these guidelines for the basic principles of the method and for the configuration of the instruments.

Purpose

Production of chemicals is increasing worldwide, both as regards the number of different chemical compounds produced and the quantities in which they are produced. Some of these compounds, both known and unknown ones, eventually end up in the environment. Non-target screening enables the quality of the many different anthropogenic compounds, and that of natural compounds, to be mapped and more new compounds to be detected. Several analytical methods, with chromatography in combination with mass spectrometry are available for this screening.

This document is drafted to describe the minimum conditions for performing, validating and safeguarding non-target by chromatographic separation techniques followed by mass spectrometry. This not only reduces the risk of false presence (false positive) but also the false certainty of the absence of a certain compound (false negative). This shall result in the same quality within certain margins being offered by laboratories which apply this document, and in their mutual results being comparable as closely as possible.

This document provides a sufficient frame of reference in order to be able to accredit this type of research. The quality requirements in this document are formulated generically for non-target screening. Non-target screening enables target compounds and suspect compounds to also be determined simultaneously.