Principal ion: Difference between revisions

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{{DefName|The most abundant ion of an isotope cluster, such as the <sup>11</sup>B<sup>79</sup>Br<sub>2</sub><sup>81</sup>Br<sup>+.</sup> ion of ''m/z'' 250 of the isotope cluster of molecular ions of BBr<sub>3</sub>. The term principal ion has also been used to describe ions that have been artificially isotopically enriched in one or more positions such as CH<sub>3</sub> <sup>13</sup>CH<sub>3</sub><sup>+.</sup> or CH<sub>2</sub>D<sub>2</sub><sup>+</sup>, but those are best defined as [[Isotopologue Ion]]s.}}
{{Final
|acronym=
|def=Most abundant ion of an [[isotope cluster]].


== [[Orange Book]] Entry ==
:''Note 1'': An example is the <sup>11</sup>B<sup>79</sup>Br<sub>2</sub><sup>81</sup>Br<sup>+•</sup> ion of ''[[m/z]]'' 250 of the cluster of isotopolog molecular ions of BBr<sub>3</sub>.


:''Note 2'': Principal ion has also been used to describe ions that have been artificially isotopically enriched in one or more positions such as <sup>13</sup>CH<sub>3</sub> or CH<sub>2</sub>D<sub>2</sub>, but those are best defined as [[isotopolog ion]]s.
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|ref={{obgb}}
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<!-- Orange Book -->
{{orange|
This is defined as a [[Molecular Ion|molecular]] or [[fragment ion]] which is made up of the most abundant isotopes of each of its atomic constituents. In the case of compounds that have been artificially enriched in one or more positions such as CH<sub>3</sub> <sup>13</sup>CH<sub>3</sub> or CH<sub>2</sub>D<sub>2</sub> the principal ion may be defined by treating the heavy isotopes as new atomic species. Thus in the two above example the principal ions would be of masses 13 and 18, respectively.
This is defined as a [[Molecular Ion|molecular]] or [[fragment ion]] which is made up of the most abundant isotopes of each of its atomic constituents. In the case of compounds that have been artificially enriched in one or more positions such as CH<sub>3</sub> <sup>13</sup>CH<sub>3</sub> or CH<sub>2</sub>D<sub>2</sub> the principal ion may be defined by treating the heavy isotopes as new atomic species. Thus in the two above example the principal ions would be of masses 13 and 18, respectively.
}}
<!-- Gold Book -->
{{gold|
http://goldbook.iupac.org/P04847.html
A molecular or fragment ion which is made up of the most abundant isotopes of each of its atomic constituents. In the case of compounds that have been artifically isotopically enriched in one or more positions such as CH313CH3 or CH2D2 the principal ion may be defined by treating the heavy isotopes as new atomic species. Thus, in the above two examples, the principal ions would be of masses 31 and 18, respectively.
'''Source''':
PAC, 1991, 63, 1541 ([[Recommendations for nomenclature and symbolism for mass spectroscopy]] (including an appendix of terms used in vacuum technology). (Recommendations 1991)) on page 1550
}}


[[Category:Ions]]
[[Category:Ions]]
[[Category:Orange Book term]]
{{DEFAULTSORT:Principal Ion}}

Revision as of 16:21, 17 April 2021

IUPAC RECOMMENDATIONS 2013
Principal ion
Most abundant ion of an isotope cluster.
Note 1: An example is the 11B79Br281Br+• ion of m/z 250 of the cluster of isotopolog molecular ions of BBr3.
Note 2: Principal ion has also been used to describe ions that have been artificially isotopically enriched in one or more positions such as 13CH3 or CH2D2, but those are best defined as isotopolog ions.
Related Term(s):
Reference(s):

IUPAC. Analytical Division. Compendium of Analytical Nomenclature (the Orange Book). Definitive Rules, 1979. Compiled by J. Inczédy, T. Lengyel, A. M. Ure. Blackwell Scientific Publications, Oxford (1997). On-line corrected version: http://www.iupac.org /publications/analytical compendium (2000).

IUPAC. Compendium of Chemical Terminology, 2nd ed. (the Gold Book). Compiled by A. D. McNaught and A.Wilkinson. Blackwell Scientific Publications, Oxford (1997). XML on-line corrected version: http://goldbook.iupac.org (2006-) created by M. Nic, J. Jirat, B. Kosata; updates compiled by A. Jenkins.

From Definitions of Terms Relating to Mass Spectrometry (IUPAC Recommendations 2013); DOI: 10.1351/PAC-REC-06-04-06 © IUPAC 2013.

Index of Recommended Terms

 




Orange Book

ORANGE BOOK DEFINITION

IUPAC. Analytical Division. Compendium of Analytical Nomenclature (the Orange Book). Definitive Rules, 1979 (see also Orange Book 2023)

Principal ion

This is defined as a molecular or fragment ion which is made up of the most abundant isotopes of each of its atomic constituents. In the case of compounds that have been artificially enriched in one or more positions such as CH3 13CH3 or CH2D2 the principal ion may be defined by treating the heavy isotopes as new atomic species. Thus in the two above example the principal ions would be of masses 13 and 18, respectively.

IUPAC 1997 Orange Book Chapter 12
Index of Orange Book Terms


Gold Book

GOLD BOOK DEFINITION

IUPAC. Compendium of Chemical Terminology, 2nd ed. (the Gold Book). Compiled by A. D. McNaught and A.Wilkinson. Blackwell Scientific Publications, Oxford (1997).

Principal ion

http://goldbook.iupac.org/P04847.html

A molecular or fragment ion which is made up of the most abundant isotopes of each of its atomic constituents. In the case of compounds that have been artifically isotopically enriched in one or more positions such as CH313CH3 or CH2D2 the principal ion may be defined by treating the heavy isotopes as new atomic species. Thus, in the above two examples, the principal ions would be of masses 31 and 18, respectively.

Source:

PAC, 1991, 63, 1541 (Recommendations for nomenclature and symbolism for mass spectroscopy (including an appendix of terms used in vacuum technology). (Recommendations 1991)) on page 1550

IUPAC Gold Book
Index of Gold Book Terms