US 8,263,931 B2 · Method for identifying in particular unknown substances by mass spectrometry

Abstract

In order to use the mass spectrometrical analysis at the same time to determine the structure and/or families and/or the chemical properties of a substance, free of subjective evaluation, in the shortest amount of time, in an automatable fashion and with high accuracy, without requiring identical fragmentation patterns and/or defined comparison or identification rules, according to the invention a fragmentation graph is formed from one or more mass spectrometrical fragmentation spectra of the substance, the data of the graph being compared to reference data preferably stored in an electronic database. The invention is used in particular in biological, pharmaceutical and chemical applications for determining the structure and/or the family and/or the chemical properties of unknown substances.

Claims17

Dependent claims

Method for identifying chiefly an unknown substance by mass spectrometry comprising the following steps:

a) recording at least one mass spectrometric fragmentation spectrum (daughter ion spectrum) of the substance to be identified,
b) determining a fragmentation graph of said substance from the at least one mass spectrometric fragmentation spectrum, wherein in the fragmentation graph fragments of the substance are represented as objects and the fragmentation reactions are represented as links, and
c) comparing the data of the complete or partial fragmentation graph with reference data for identifying the substance by its structure and/or family and/or its chemical properties.

Dependencies are inferred from the claim text.

Facts

Application

13/145,501Filed 15 Jan 2010

Priority

DE 10 2009 005 84521 Jan 2009

Published

US 2011/0278449 A117 Nov 2011

Granted

11 Sep 2012

Term ends

Not estimatedThe source records don’t support an estimate.

Classification4 codes

G01N 33/6848
General methods of protein analysis not limited to specific proteins or families of proteins: methods of protein analysis involving mass spectrometry
Y10T 436/24
Chemistry: analytical and immunological testing: nuclear magnetic resonance, electron spin resonance or other spin effects or mass spectrometry
G01N
Investigating or analysing materials by determining their chemical or physical properties
Y10T
Technical subjects covered by former us classification

Method for identifying in particular unknown substances by mass spectrometry

Life of this patent

Method for identifying in particular unknown substances by mass spectrometry

Life of this patent

Abstract

Claims17