Verfahren und Vorrichtung zum Identifizieren von Isotopenmustern in Massenspektren

Details

Veröffentlichungs-Nr.

EP2594936

Aktenzeichen

EP12192525

Anmeldetag

14. November 2012

Veröffentlichung

15. Oktober 2014

Rechtsraum

EP

IPC

G01N30/86H01J49/00// G01N30/72

Abstract

A method for automatically identifying groups of related peaks generated in a chromatography - mass spectrometry experiment comprises automatically choosing a time window defining a region of interest for mass spectral data generated by the experiment; automatically constructing a plurality of extracted ion chromatograms (XICs) (m1-m10) for mass spectral peaks observed within the region of interest; automatically detecting and characterizing chromatogram peaks (p1-p10) within each XIC and automatically generating synthetic analytical fit peaks thereof; automatically discarding a subset of the synthetic analytical peaks which do not satisfy noise reduction rules; automatically performing a respective cross-correlation score calculation between each pair of synthetic analytical fit peaks; and automatically identifying groups of correlated peaks in at least one mass spectrum within the region of interest. <img class="EMIRef" id="144770489-iaf01" />

Anmelder

Firma

Thermo Finnigan LLC

Land

🇺🇸 USA

Fachgebiete