| 摘要 |
<p>A method for identify isotope patterns in mass spectral data, comprising obtaining a desired mass spectral peak shape function; obtaining mass spectral data composed of actual isotope patterns to be analyzed; calculating theoretical isotope pattern from known elemental composition of at least one basic ion whose isotope pattern is representative of the ions to be analyzed, by using mass spectral peak shape function; comparing quantitatively corresponding parts of the theoretical isotope pattern to that of the mass spectral data; calculating a numerical metric to measure similarity between the theoretical isotope pattern and actually measured isotope pattern; and utilizing the numerical metric as an indication for possible presence of ions whose isotope patterns resemble that of the basic ion. A computer for and a computer readable medium having computer readable code thereon for performing the methods. A mass spectrometer having an associated computer for performing the methods.</p> |
