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Calculation of Mass and Abundance for Polyisotopic Ion by Low Resolution Mass Spectrometry
Author(s) -
Yu ChongTian,
Guo YinLong,
Zhang ZunJian,
Xiang BingRen,
An DengKui
Publication year - 2001
Publication title -
chinese journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.28
H-Index - 41
eISSN - 1614-7065
pISSN - 1001-604X
DOI - 10.1002/cjoc.20010190513
Subject(s) - chemistry , mass spectrometry , abundance (ecology) , resolution (logic) , ion , mass , analytical chemistry (journal) , mass spectrum , chromatography , artificial intelligence , organic chemistry , fishery , computer science , biology
The new algorithm calculated mass and abundance for polyisotopic ion by low‐resolution mass spectrometry was developed based on probability theory. The results of mass and abundance data of polyisotopic ion calculated by the algorithm were coincided with the experimental values. By comparison with the Kubinyi's method, our algorithm is simpler and easier to master for operator.