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Spectrometric analysis

專利號(hào)
US10867779B2
公開日期
2020-12-15
申請(qǐng)人
Micromass UK Limited(GB Wilmslow)
發(fā)明人
Keith George Richardson; Steven Derek Pringle
IPC分類
H01J49/00; H01J49/04; H01J49/26
技術(shù)領(lǐng)域
spectra,sample,or,ion,may,more,ionisation,mass,analysis,intensity
地域: Wilmslow

摘要

A method of spectrometric analysis comprises obtaining one or more sample spectra for a sample. The one or more sample spectra are subjected to pre-processing and then multivariate and/or library based analysis so as to classify the sample. The pre-processing involves deisotoping the sample spectra.

說明書

The deisotoping process may comprise deconvolving the one or more sample spectra with respect to theoretical mass and/or isotope and/or charge distributions. The theoretical mass and/or isotope and/or charge distributions may be derived from known and/or typical and/or average properties of one or more classes of sample.

The theoretical mass and/or isotope and/or charge distributions may be derived from known and/or typical and/or average properties of a spectrometer, for example that was used to obtain the one or more sample spectra.

The theoretical distributions may vary within each of the one or more classes of sample. For example, spectral peak width may vary with mass to charge ratio and/or the isotopic distribution may vary with molecular mass.

The theoretical mass and/or isotope and/or charge distributions may be modelled using one or more probability density functions.

Obtaining the one or more sample spectra may comprise obtaining the sample using a sampling device

The sampling device may comprise or form part of an ion source.

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