Principal ion

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IUPAC RECOMMENDATIONS 2013

K. K. Murray, R. K. Boyd, M. N. Eberlin, G. J. Langley, L. Li and Y. Naito, Pure Appl. Chem., 2013, 85, 1515-1609, 10.1351/PAC-REC-06-04-06.

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.

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


Index of Terms

 




Orange Book

ORANGE BOOK DEFINITION

IUPAC. Analytical Division. Compendium of Analytical Nomenclature (the “Orange Book”). Definitive Rules, 1979.

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 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