SIST EN ISO 21253-2:2020

Water quality - Multi-compound class methods - Part 2: Criteria for the quantitative determination of organic substances using a multi-compound class analytical method (ISO 21253-2:2019)

This  document specifies the critical issues to address when developing in a laboratory a method for the simultaneous quantitative analysis of numerous organic compounds in water.

Wasserbeschaffenheit - Gemeinsam erfassbare Stoffgruppen - Teil 2: Kriterien für die Beurteilung eines Multianalyt-Verfahrens organischer Stoffe (ISO 21253-2:2019)

Dieses Dokument legt die Kriterien für die Entwicklung einer massenspektrometrischen laborinternen Methode zur quantitativen Analyse multipler Untergruppen organischer Stoffe im Rahmen der physikalisch-chemischen Untersuchung von Wasser fest.
Dieses Dokument ergänzt ISO/TS 13530, die Anleitung für die erstmalige Charakterisierung der Messleistungen bereitstellt, indem es detaillierte Angaben zur Auswahl der Prüfmatrix, der internen Standards und der Kriterien für die Wiederfindungen von Analyten und internen Standards macht.
Dieses Dokument ist nicht als Ersatz für die aktuell anzuwendenden Normen vorgesehen, die für die Analyse organischer Stoffe bestimmt sind, sondern vielmehr als Hilfsmittel, das weitere Charakterisierungselemente einbringt.

Qualité de l'eau - Méthodes d'analyse de composés multi-classes - Partie 2: Critères pour la détermination quantitative de composés organiques avec une méthode d'analyse de composés multi-classes (ISO 21253-2:2019)

Le présent document spécifie les critères pour le développement en interne d'une méthode fondée sur la spectrométrie de masse pour l'analyse quantitative de multiples sous-groupes de composés organiques dans le cadre d'une analyse physicochimique de l'eau.
Le présent document complète l'ISO/TS 13530 qui fournit des recommandations sur la caractérisation initiale des performances de mesure, en détaillant la sélection de la matrice d'essai et des étalons internes, ainsi que les critères pour la récupération de l'analyte et des étalons internes.
Le présent document n'a pas vocation à se substituer aux normes analytiques dédiées aux composés organiques actuellement en vigueur, mais est destiné à apporter des éléments de caractérisation supplémentaires.

Kakovost vode - Metode za več spojin - 2. del: Merila za kvantitativno določevanje organskih spojin z analizno metodo za več spojin (ISO 21253-2:2019)

Ta dokument določa kritična vprašanja, ki jih je treba obravnavati pri laboratorijski pripravi metode sočasne kvantitativne analize številnih organskih spojin v vodi.

General Information

• Status: Published
• Public Enquiry End Date: 02-Jan-2019
• Publication Date: 02-Dec-2019
• ICS: 13.060.50 - Examination of water for chemical substances
• ICS: 71.040.50 - Physicochemical methods of analysis
• Technical Committee: KAV - Water quality
• Current Stage: 6060 - National Implementation/Publication (Adopted Project)
• Start Date: 11-Nov-2019
• Due Date: 16-Jan-2020
• Completion Date: 03-Dec-2019
• Ref Project: EN ISO 21253-2:2019 - Water quality - Multi-compound class methods - Part 2: Criteria for the quantitative determination of organic substances using a multi-compound class analytical method (ISO 21253-2:2019)

Standards Content (Sample)

SLOVENSKI STANDARD
SIST EN ISO 21253-2:2020
01-januar-2020
Kakovost vode - Metode za več spojin - 2. del: Merila za kvantitativno določevanje
organskih spojin z analizno metodo za več spojin (ISO 21253-2:2019)
Water quality - Multi-compound class methods - Part 2: Criteria for the quantitative
determination of organic substances using a multi-compound class analytical method
(ISO 21253-2:2019)
Wasserbeschaffenheit - Gemeinsam erfassbare Stoffgruppen - Teil 2: Kriterien für die
Beurteilung eines Multianalyt-Verfahrens organischer Stoffe (ISO 21253-2:2019)
Qualité de l'eau - Méthodes d'analyse de composés multi-classes - Partie 2: Critères
pour la détermination quantitative de composés organiques avec une méthode d'analyse
de composés multi-classes (ISO 21253-2:2019)
Ta slovenski standard je istoveten z: EN ISO 21253-2:2019
ICS:
13.060.50 Preiskava vode na kemične Examination of water for
snovi chemical substances
71.040.50 Fizikalnokemijske analitske Physicochemical methods of
metode analysis
SIST EN ISO 21253-2:2020 en,fr,de
2003-01.Slovenski inštitut za standardizacijo. Razmnoževanje celote ali delov tega standarda ni dovoljeno.

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SIST EN ISO 21253-2:2020

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SIST EN ISO 21253-2:2020


EN ISO 21253-2
EUROPEAN STANDARD

NORME EUROPÉENNE

October 2019
EUROPÄISCHE NORM
ICS 13.060.50
English Version

Water quality - Multi-compound class methods - Part 2:
Criteria for the quantitative determination of organic
substances using a multi-compound class analytical
method (ISO 21253-2:2019)
Qualité de l'eau - Méthodes d'analyse de composés Wasserbeschaffenheit - Gemeinsam erfassbare
multi-classes - Partie 2: Critères pour la détermination Stoffgruppen - Teil 2: Kriterien für die Beurteilung
quantitative de composés organiques avec une eines Multianalyt-Verfahrens organischer Stoffe (ISO
méthode d'analyse de composés multi-classes (ISO 21253-2:2019)
21253-2:2019)
This European Standard was approved by CEN on 9 August 2019.

CEN members are bound to comply with the CEN/CENELEC Internal Regulations which stipulate the conditions for giving this
European Standard the status of a national standard without any alteration. Up-to-date lists and bibliographical references
concerning such national standards may be obtained on application to the CEN-CENELEC Management Centre or to any CEN
member.

This European Standard exists in three official versions (English, French, German). A version in any other language made by
translation under the responsibility of a CEN member into its own language and notified to the CEN-CENELEC Management
Centre has the same status as the official versions.

CEN members are the national standards bodies of Austria, Belgium, Bulgaria, Croatia, Cyprus, Czech Republic, Denmark, Estonia,
Finland, France, Germany, Greece, Hungary, Iceland, Ireland, Italy, Latvia, Lithuania, Luxembourg, Malta, Netherlands, Norway,
Poland, Portugal, Republic of North Macedonia, Romania, Serbia, Slovakia, Slovenia, Spain, Sweden, Switzerland, Turkey and
United Kingdom.





EUROPEAN COMMITTEE FOR STANDARDIZATION
COMITÉ EUROPÉEN DE NORMALISATION

EUROPÄISCHES KOMITEE FÜR NORMUNG

CEN-CENELEC Management Centre: Rue de la Science 23, B-1040 Brussels
© 2019 CEN All rights of exploitation in any form and by any means reserved Ref. No. EN ISO 21253-2:2019 E
worldwide for CEN national Members.

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SIST EN ISO 21253-2:2020
EN ISO 21253-2:2019 (E)
Contents Page
European foreword . 3

2

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SIST EN ISO 21253-2:2020
EN ISO 21253-2:2019 (E)
European foreword
This document (EN ISO 21253-2:2019) has been prepared by Technical Committee ISO/TC 147 "Water
quality" in collaboration with Technical Committee CEN/TC 230 “Water analysis” the secretariat of
which is held by DIN.
This European Standard shall be given the status of a national standard, either by publication of an
identical text or by endorsement, at the latest by April 2020, and conflicting national standards shall be
withdrawn at the latest by April 2020.
Attention is drawn to the possibility that some of the elements of this document may be the subject of
patent rights. CEN shall not be held responsible for identifying any or all such patent rights.
According to the CEN-CENELEC Internal Regulations, the national standards organizations of the
following countries are bound to implement this European Standard: Austria, Belgium, Bulgaria,
Croatia, Cyprus, Czech Republic, Denmark, Estonia, Finland, France, Germany, Greece, Hungary, Iceland,
Ireland, Italy, Latvia, Lithuania, Luxembourg, Malta, Netherlands, Norway, Poland, Portugal, Republic of
North Macedonia, Romania, Serbia, Slovakia, Slovenia, Spain, Sweden, Switzerland, Turkey and the
United Kingdom.
Endorsement notice
The text of ISO 21253-2:2019 has been approved by CEN as EN ISO 21253-2:2019 without any
modification.

3

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SIST EN ISO 21253-2:2020

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SIST EN ISO 21253-2:2020
INTERNATIONAL ISO
STANDARD 21253-2
First edition
2019-08
Water quality — Multi-compound
class methods —
Part 2:
Criteria for the quantitative
determination of organic substances
using a multi-compound class
analytical method
Qualité de l'eau — Méthodes d'analyse de composés multi-classes —
Partie 2: Critères pour la détermination quantitative de composés
organiques avec une méthode d'analyse de composés multi-classes
Reference number
ISO 21253-2:2019(E)
©
ISO 2019

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SIST EN ISO 21253-2:2020
ISO 21253-2:2019(E)

COPYRIGHT PROTECTED DOCUMENT
© ISO 2019
All rights reserved. Unless otherwise specified, or required in the context of its implementation, no part of this publication may
be reproduced or utilized otherwise in any form or by any means, electronic or mechanical, including photocopying, or posting
on the internet or an intranet, without prior written permission. Permission can be requested from either ISO at the address
below or ISO’s member body in the country of the requester.
ISO copyright office
CP 401 • Ch. de Blandonnet 8
CH-1214 Vernier, Geneva
Phone: [phone]
Fax: [phone]
Email: [e-mail]
Website: www.iso.org
Published in Switzerland
ii © ISO 2019 – All rights reserved

---------------------- Page: 8 ----------------------
SIST EN ISO 21253-2:2020
ISO 21253-2:2019(E)

Contents Page
Foreword .iv
1 Scope . 1
2 Normative references . 1
3 Terms and definitions . 1
4 Principle . 3
5 Selection of the matrix . 3
6 Sample preservation prior to analysis. 4
7 Internal standards and injection standards . 4
7.1 General . 4
7.2 Selection of standards . 4
8 Calibration . 5
9 Recovery determination . 6
9.1 General . 6
9.2 Quantification by external calibration . 6
9.3 Quantification by internal calibration . 7
10 Limit of quantification (LOQ) . 7
11 Results . 7
11.1 Identification of the compounds . 7
11.2 Quantification . 7
11.3 Measurement uncertainty . 7
12 Quality controls . 7
12.1 General . 7
12.2 Quality control checks on the blank . 8
12.3 Quality control checks on the internal standards . 8
12.4 Quality control checks on the limit of quantification. 8
Annex A (informative) Matrix effect . 9
Bibliography .10
© ISO 2019 – All rights reserved iii

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SIST EN ISO 21253-2:2020
ISO 21253-2:2019(E)

Foreword
ISO (the International Organization for Standardization) is a worldwide federation of national standards
bodies (ISO member bodies). The work of preparing International Standards is normally carried out
through ISO technical committees. Each member body interested in a subject for which a technical
committee has been established has the right to be represented on that committee. International
organizations, governmental and non-governmental, in liaison with ISO, also take part in the work.
ISO collaborates closely with the International Electrotechnical Commission (IEC) on all matters of
electrotechnical standardization.
The procedures used to develop this document and those intended for its further maintenance are
described in the ISO/IEC Directives, Part 1. In particular the different approval criteria needed for the
different types of ISO documents should be noted. This document was drafted in accordance with the
editorial rules of the ISO/IEC Directives, Part 2 (see www .iso .org/directives).
Attention is drawn to the possibility that some of the elements of this document may be the subject of
patent rights. ISO shall not be held responsible for identifying any or all such patent rights. Details of
any patent rights identified during the development of the document will be in the Introduction and/or
on the ISO list of patent declarations received (see www .iso .org/patents).
Any trade name used in this document is information given for the convenience of users and does not
constitute an endorsement.
For an explanation on the voluntary nature of standards, the meaning of ISO specific terms and
expressions related to conformity assessment, as well as information about ISO's adherence to the
World Trade Organization (WTO) principles in the Technical Barriers to Trade (TBT) see the following
URL: www .iso .org/iso/foreword .html.
This document was prepared by Technical Committee ISO/TC 147, Water quality, Subcommittee SC 2,
Physical, chemical and biochemical methods.
A list of all parts in the ISO 21253 series can be found on the ISO website.
Any feedback or questions on this document should be directed to the user’s national standards body. A
complete listing of these bodies can be found at www .iso .org/members .html.
iv © ISO 2019 – All rights reserved

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SIST EN ISO 21253-2:2020
INTERNATIONAL STANDARD ISO 21253-2:2019(E)
Water quality — Multi-compound class methods —
Part 2:
Criteria for the quantitative determination of organic
substances using a multi-compound class analytical method
1 Scope
This document specifies the criteria for developing an in-house mass spectrometry-based method for
quantitative analysis of multiple subgroups of organic substances in the scope of physical-chemical
analysis of water.
This document supplements ISO/TS 13530 which provides guidance on the initial characterization of
the measurement performances, by providing details to select the test matrix and internal standards
and criteria for analyte and internal standard recoveries.
This document is not intended as a substitute for the currently applicable analytical standards
dedicated to organic compounds but as a resource bringing additional characterization elements.
2 Normative references
The following documents are referred to in the text in such a way that some or all of their content
constitutes requirements of this document. For dated references, only the edition cited applies. For
undated references, the latest edition of the referenced document (including any amendments) applies.
ISO 8466-1, Water quality — Calibration and evaluation of analytical methods and estimation of
performance characteristics — Part 1: Statistical evaluation of the linear calibration function
ISO 8466-2, Water quality — Calibration and evaluation of analytical methods and estimation of
performance characteristics — Part 2: Calibration strategy for non-linear second-order calibration
functions
ISO 11352, Water quality — Estimation of measurement uncertainty based on validation and quality
control data
ISO 21253-1, Water quality — Multi- compound class methods — Part 1: Criteria for the identification of
target compounds by gas and liquid chromatography and mass spectrometry
3 Terms and definitions
For the purposes of this document, the following terms and definitions apply.
ISO and IEC maintain terminological databases for use in standardization at the following addresses:
— ISO Online browsing platform: available at https: //www .iso .org ./obp
— IEC Electropedia: available at http: //www .electropedia .org/
3.1
analyte
substance to be determined
[SOURCE: ISO/TS 28581:2012, 3.1]
© ISO 2019 – All rights reserved 1

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SIST EN ISO 21253-2:2020
ISO 21253-2:2019(E)

3.2
blank
aliquot of reagent water (reagent blank) or of a matrix in which the analyte (3.1) is absent (matrix blank)
that is treated exactly as a sample through the complete analytical procedure including extraction,
clean-up, identification and quantification including all the relevant reagents and materials
Note 1 to entry: It is crucial that the laboratory specifies which blank is considered.
3.3
calibration curve
expression of the relation between indication and corresponding measured quantity value
[SOURCE: ISO/IEC Guide 99:2007, 4.31]
3.4
limit of quantification
LOQ
lowest value of a determinand that can be determined with an acceptable level of accuracy, which could
be estimated by different means and shall be verified in the intended matrix
[SOURCE: ISO/TS 21231:2019, 3.2.5, modified — Note to entry has been excluded.]
3.5
analytical method
unambiguously written procedure describing all details required to carry out the analysis of the
determinand or parameter, namely: scope and field of application, principle and/or reactions,
definitions, reagents, apparatus, analytical procedures, calculations and presentation of results,
performance data and test report
[SOURCE: ISO/TS 16489:2006, 3.3]
3.6
recovery
relative recovery
extent to which a known, added quantity of determinand in a sample can be measured by an
analytical system
Note 1 to entry: Recovery is calculated from the difference between results obtained from a spiked and an
unspiked aliquot of sample and is usually expressed as a percentage.
[SOURCE: ISO 5667-14:2014, 3.8]
3.7
relative retention time
ratio between the retention time of the target compound and the retention time of the calibration
standard
[SOURCE: ISO 15680:2003, 3.5, modified — "retention-time standard" has been replaced by "calibration
standard"]
3.8
injection standard
standard mixture added to a sample before injection into the GC-MS apparatus, to monitor variability
of instrument response and to calculate internal standard recovery
Note 1 to entry: The same definition is applied for GC-MS/MS, LC-MS and LC-MS/MS.
[SOURCE: ISO 28540:2011, 3.4, modified — Note to entry has been replaced.]
2 © ISO 2019 – All rights reserved

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SIST EN ISO 21253-2:2020
ISO 21253-2:2019(E)

3.9
subgroup of compounds
analytes (3.1) pre-classified into groups that share similar patterns of analytical behaviour in response
to extraction mode and analysis
3.10
internal standard
compound added in a known amount to the sample from the beginning of the protocol and enabling
analytical coverage throughout the procedure, and that is used to correct for losses during sample
preparation and analysis by accounting for all-system matrix effects (recoveries, ionization effect,
variability of the detector response of the instrument for example)
Note 1 to entry: Determining the ratio of characteristic molecule signal intensity to the internal standard makes
it possible to calculate the quantitative ratio between molecule and internal standard and thereby to deduce
molecule concentration in
...

SLOVENSKI STANDARD
oSIST prEN ISO 21253-2:2018
01-december-2018
.DNRYRVWYRGH0HWRGH]DYHþVSRMLQGHO0HULOD]DNYDQWLWDWLYQRGRORþHYDQMH
RUJDQVNLKVSRMLQ]DQDOL]QRPHWRGR]DYHþVSRMLQ,62',6
Water quality - Multi-compound class methods - Part 2: Criteria for the quantitative
determination of organic substances using a multi-compound class analytical method
(ISO/DIS 21253-2:2018)
Wasserbeschaffenheit - Multi-Class-Verfahren - Teil 2: Anleitung für die Beurteilung
eines analytischen Verfahrens für mehrere Gruppen organischer Stoffe (ISO/DIS 21253-
2:2018)
Qualité de l'eau - Méthodes d'analyse de composés multi-classes - Partie 2: Critères
pour la détermination quantitative de substances organiques avec une méthode
d'analyse de composés multi-classess (ISO/DIS 21253-2:2018)
Ta slovenski standard je istoveten z: prEN ISO 21253-2
ICS:
13.060.50 3UHLVNDYDYRGHQDNHPLþQH Examination of water for
VQRYL chemical substances
71.040.50 Fizikalnokemijske analitske Physicochemical methods of
metode analysis
oSIST prEN ISO 21253-2:2018 en,fr,de
2003-01.Slovenski inštitut za standardizacijo. Razmnoževanje celote ali delov tega standarda ni dovoljeno.

---------------------- Page: 1 ----------------------
oSIST prEN ISO 21253-2:2018

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oSIST prEN ISO 21253-2:2018
DRAFT INTERNATIONAL STANDARD
ISO/DIS 21253-2
ISO/TC 147/SC 2 Secretariat: DIN
Voting begins on: Voting terminates on:
2018-10-12 2019-01-04
Water quality — Multi-compound class methods —
Part 2:
Criteria for the quantitative determination of organic
substances using a multi-compound class analytical method
Qualité de l'eau — Méthodes de composés multi-class —
Partie 2: Critères pour l'évaluation quantitative d'une méthode d'analyse de composés multi-class des
substances organiques
ICS: 13.060.50
THIS DOCUMENT IS A DRAFT CIRCULATED
This document is circulated as received from the committee secretariat.
FOR COMMENT AND APPROVAL. IT IS
THEREFORE SUBJECT TO CHANGE AND MAY
NOT BE REFERRED TO AS AN INTERNATIONAL
STANDARD UNTIL PUBLISHED AS SUCH.
IN ADDITION TO THEIR EVALUATION AS
ISO/CEN PARALLEL PROCESSING
BEING ACCEPTABLE FOR INDUSTRIAL,
TECHNOLOGICAL, COMMERCIAL AND
USER PURPOSES, DRAFT INTERNATIONAL
STANDARDS MAY ON OCCASION HAVE TO
BE CONSIDERED IN THE LIGHT OF THEIR
POTENTIAL TO BECOME STANDARDS TO
WHICH REFERENCE MAY BE MADE IN
Reference number
NATIONAL REGULATIONS.
ISO/DIS 21253-2:2018(E)
RECIPIENTS OF THIS DRAFT ARE INVITED
TO SUBMIT, WITH THEIR COMMENTS,
NOTIFICATION OF ANY RELEVANT PATENT
RIGHTS OF WHICH THEY ARE AWARE AND TO
©
PROVIDE SUPPORTING DOCUMENTATION. ISO 2018

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oSIST prEN ISO 21253-2:2018
ISO/DIS 21253-2:2018(E)

COPYRIGHT PROTECTED DOCUMENT
© ISO 2018
All rights reserved. Unless otherwise specified, or required in the context of its implementation, no part of this publication may
be reproduced or utilized otherwise in any form or by any means, electronic or mechanical, including photocopying, or posting
on the internet or an intranet, without prior written permission. Permission can be requested from either ISO at the address
below or ISO’s member body in the country of the requester.
ISO copyright office
CP 401 • Ch. de Blandonnet 8
CH-1214 Vernier, Geneva
Phone: [phone]
Fax: [phone]
Email: [e-mail]
Website: www.iso.org
Published in Switzerland
ii © ISO 2018 – All rights reserved

---------------------- Page: 4 ----------------------
oSIST prEN ISO 21253-2:2018
ISO/DIS 21253-2:2018(E)

Contents Page
Foreword .iv
1 Scope . 1
2 Normative references . 1
3 Terms and definitions . 2
4 Principle . 4
5 Selection of the matrix . 4
6 Sample preservation prior to analysis. 4
7 Internal standards and injection standards . 5
7.1 General . 5
7.2 Selection of standards . 5
8 Calibration . 6
9 Recovery determination . 7
9.1 Case of quantification by external calibration . 7
9.2 Case of quantification by internal calibration . 7
10 Limit of quantification (LoQ) . 7
11 Results . 8
11.1 Identification of the compounds . 8
11.2 Quantification . 8
11.3 Measurement uncertainty . 8
12 Quality controls . 8
12.1 Quality control checks on the blank . 8
12.2 Quality control checks on the internal standards . 8
12.3 Quality control checks on the limit of quantification. 8
Annex A (informative) Matrix effect .10
Bibliography .11
© ISO 2018 – All rights reserved iii

---------------------- Page: 5 ----------------------
oSIST prEN ISO 21253-2:2018
ISO/DIS 21253-2:2018(E)

Foreword
ISO (the International Organization for Standardization) is a worldwide federation of national standards
bodies (ISO member bodies). The work of preparing International Standards is normally carried out
through ISO technical committees. Each member body interested in a subject for which a technical
committee has been established has the right to be represented on that committee. International
organizations, governmental and non-governmental, in liaison with ISO, also take part in the work.
ISO collaborates closely with the International Electrotechnical Commission (IEC) on all matters of
electrotechnical standardization.
The procedures used to develop this document and those intended for its further maintenance are
described in the ISO/IEC Directives, Part 1. In particular the different approval criteria needed for the
different types of ISO documents should be noted. This document was drafted in accordance with the
editorial rules of the ISO/IEC Directives, Part 2 (see www .iso .org/directives).
Attention is drawn to the possibility that some of the elements of this document may be the subject of
patent rights. ISO shall not be held responsible for identifying any or all such patent rights. Details of
any patent rights identified during the development of the document will be in the Introduction and/or
on the ISO list of patent declarations received (see www .iso .org/patents).
Any trade name used in this document is information given for the convenience of users and does not
constitute an endorsement.
For an explanation on the voluntary nature of standards, the meaning of ISO specific terms and
expressions related to conformity assessment, as well as information about ISO's adherence to the
World Trade Organization (WTO) principles in the Technical Barriers to Trade (TBT) see the following
URL: www .iso .org/iso/foreword .html.
This document was prepared by Technical Committee ISO/TC 147, Water quality, Subcommittee SC 2,
Physical, chemical and biochemical methods.
A list of all parts in the ISO 21253- series can be found on the ISO website.
iv © ISO 2018 – All rights reserved

---------------------- Page: 6 ----------------------
oSIST prEN ISO 21253-2:2018
DRAFT INTERNATIONAL STANDARD ISO/DIS 21253-2:2018(E)
Water quality — Multi-compound class methods —
Part 2:
Criteria for the quantitative determination of organic
substances using a multi-compound class analytical method
1 Scope
This document specifies the critical points to consider while developing an in-house mass
spectrometry-based method for quantitative analysis of multi-group organic substances in the scope of
physical-chemical analysis of water.
ISO/TS 13530 provides guidance on the initial characterization of the measurement performances. This
document supplements ISO/TS 13530 by providing details on the following points:
— selection of the characterization-test matrix;
— internal standards and internal standard recoveries;
— analyte recovery;
— checking that performance levels do not degrade over time.
Chromatographic separation and identification of analytes are described in ISO/DIS 21253-1.
The estimation of measurement uncertainties is integral to the characterization of any quantitative
method of analysis, but the process is not described here, as ISO 11352 applies. Similarly, the calibration
protocols are not described here but set out in the ISO 8466- series of standards.
This document is not intended as a substitute for the currently applicable analytical standards
dedicated to organic compounds but as a resource bringing additional characterization elements.
2 Normative references
The following documents are referred to in the text in such a way that some or all of their content
constitutes requirements of this document. For dated references, only the edition cited applies. For
undated references, the latest edition of the referenced document (including any amendments) applies.
ISO 5667-3, Water quality — Sampling — Part 3: Preservation and handling of water samples
ISO 8466-1, Water quality — Calibration and evaluation of analytical methods and estimation of
performance characteristics — Part 1: Statistical evaluation of the linear calibration function
ISO 8466-2, Water quality — Calibration and evaluation of analytical methods and estimation of
performance characteristics — Part 2: Calibration strategy for non-linear second-order calibration
functions
ISO 11352, Water quality — Estimation of measurement uncertainty based on validation and quality
control data
ISO 12787, Cosmetics — Analytical methods — Validation criteria for analytical results using
chromatographic techniques
ISO/TS 13530, Water quality — Guidance on analytical quality control for chemical and physicochemical
water analysis
© ISO 2018 – All rights reserved 1

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oSIST prEN ISO 21253-2:2018
ISO/DIS 21253-2:2018(E)

ISO/DIS 21253-1, Water quality — Multi- compound class methods — Part 1: Criteria for the identification
of target compounds by gas and liquid chromatography and mass spectrometry
3 Terms and definitions
For the purposes of this document the following terms and definitions apply.
ISO and IEC maintain terminological databases for use in standardization at the following addresses:
— ISO Online browsing platform: available at https: //www .iso .org ./obp
— IEC Electropedia: available at http: //www .electropedia .org/
3.1
analyte
[5]
substance to be determined[SOURCE: ISO/TS 28581:2012, 3.1]
3.2
blank
aliquot of reagent water (reagent blank) or of a matrix in which the analyte is absent (matrix blank) that
is treated exactly as a sample through the complete analytical procedure including extraction, clean-up,
identification and quantification including all the relevant reagents and materials
Note 1 to entry: It is crucial that the laboratory specifies which blank is considered.
3.3
isotope dilution
13
method using labelled (usually C) internal standards to correct for losses during sample preparation
and analysis
Note 1 to entry: Calculation of the ratio of characteristic signal intensity between molecule and labelled analogue
makes it possible to calculate the quantitative ratio between compound and labelled compound and thereby to
deduce compound concentration in the sample.
[4]
[SOURCE: ISO 17858:2007, 3.1.9, modified — Note 1 to entry added]
3.4
scope of the analytical method
combination of the different types of matrix, substances and analyte concentration range covered, for
which the analytical method applies
3.5
maximum allowed tolerance
upper and lower-bound extremes of acceptable range of a measurement result
Note 1 to entry: The maximum allowed tolerance can be imposed by normative or regulatory requirements or set
by the customer, or by the user itself.
3.6
retention time standard
compound that is added to the sample (or to the sample extract) and to the external standard solution,
and whose retention time is used to calculate the relative retention times of the target compounds
Note 1 to entry: The retention time standard may be exactly the same as the internal standard or standards.
[2]
[SOURCE: ISO 15680:2003, 3.4]
3.7
calibration curve
expression of the relation between indication and corresponding measured quantity value calibration
[6]
curve[SOURCE: ISO/IEC Guide 99:2007(en), 4.31]
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oSIST prEN ISO 21253-2:2018
ISO/DIS 21253-2:2018(E)

3.8
limit of detection
lowest amount or concentration of an analyte in a test sample that can be reliably distinguished from
the absence of that substance
3.9
limit of quantification of the method (LoQ)
smallest quantity of an analyte in a sample that may be assayed quantitatively under the experimental
conditions described in the method to a specified level of accuracy
3.10
analytical method
unambiguously written procedure describing all details required to carry out the analysis of the
determinand or parameter, namely: scope and field of application, principle and/or reactions,
definitions, reagents, apparatus, analytical procedures, calculations and presentation of results,
[3]
performance data and test report[SOURCE: ISO/TS 16489:2006, 3.3]
3.11
recovery (or relative revovery)
extent to which a known, added quantity of determinand in a sample can be measured by an analytical
systemRecovery is calculated from the difference between results obtained from a spiked and an
[1]
unspiked aliquot of sample and is usually expressed as a percentage.[SOURCE: ISO 5667-14:2014, 3.8]
3.12
relative retention time
ratio between the retention time of the target compound and the retention time of the retention-time
[2]
calibration standard[SOURCE: ISO 15680:2004, 3.5]
3.14
injection standard
compound added to the sample and the calibration standard solution and used to verify that
instrument-based step of the analytical method runs properlyThe following terms and definitions are
indispensable for the application of this document.
3.15
substances group
analytes pre-classified into groups that share similar patterns of analytical behaviour in response to
extraction mode and analysis
3.16
internal standard
compound added in a known amount to the sample from the beginning of the protocol and enabling
analytical coverage throughout the procedure, and that is used to correct for losses during sample
preparation and analysis by accounting for all-system matrix effects (recoveries, ionization effect,
variability of the detector response of the instrument for example)
Note 1 to entry: Determining the ratio of characteristic molecule signal intensity to the internal standard makes
it possible to calculate the quantitative ratio between molecule and internal standard and thereby to deduce
molecule concentration in the sample. An identical amount is also added to the calibration standard solutions.
3.17
Yield (or absolute recovery)
amount of analyte added in the test sample corrected by the relative recovery of the internal standard
(analyte-to-internal standard ratio)
Note 1 to entry: Yield is a value that accounts for both sample matrix effect and compound recovery.
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oSIST prEN ISO 21253-2:2018
ISO/DIS 21253-2:2018(E)

4 Principle
This document specifies the critical points to be considered when developing a mass spectrometry-based
method for the analysis of multi-class organic substances in water samples. The critical points
addressed here involve:
— selection of the matrix;
...