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Isotopic mass spectrometry

A technology of isotope and mass spectrometry, applied in spectrometer combination, particle separation tube, discharge tube, etc., can solve expensive and other problems

Active Publication Date: 2021-04-09
THERMO FISHER SCI BREMEN +1
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

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Problems solved by technology

[0004] Consequently, studies of the intramolecular isotopic content of molecules have thus far been largely limited to analysis using NMR, which is expensive and requires relatively large samples for accurate analysis

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example

[0073] see now Figure 3a , depicts an illustrative example of the method of the present disclosure. The disclosed method was demonstrated by the analysis of methionine (Met), which can be introduced into a mass spectrometer by direct injection into solution. Met is mainly ionized by electrospray ionization to [M+H] + Molecular ion, nominal mass m / z 150. Its relatively low molecular weight allows the use of current Orbitrap with R > 100,000 TM Mass analyzer to resolve isobaric M+1 isotopologues of almost all molecular ions and fragment ions. The MS / MS fragmentation spectrum of Met contains several singly charged peaks above m / z 50, which is Q Exactive TM Low mass cutoffs in mass spectrometers. It will be appreciated that many of the multiply charged peaks are below the low mass cutoff, which simplifies the visualization and analysis of the mass spectra of the present disclosure. Met is therefore an ideal material for demonstrating the benefits provided by the methods of ...

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Abstract

A method for determining an isotopic profile for a molecule is provided. The isotopic profile is indicative of an isotopic content for the molecule. The method comprises mass selecting ions of the molecule in a mass window, the mass window excluding a mass for a monoisotopic molecular ion and including a mass for at least one isotopic variant of the monoisotopic molecular ion. The method comprises fragmenting the mass selected ions into fragment ions, performing mass analysis on one or more of the fragment ions to produce a mass spectrum, and determining the isotopic profile for the molecule, the isotopic profile comprising at least one data value. Each data value is calculated for a fragment ion as a function of intensities of multiple peaks in the mass spectrum. A computer program is provided. A mass spectrometry system is provided. A method for identifying a sample is provided.

Description

technical field [0001] The present disclosure relates to methods and systems for determining isotopic profiles of molecules using mass spectroscopy and using such profiles to identify molecules. Background technique [0002] Mass spectrometry is widely used for the analysis of substances in a variety of fields including, for example, geochemistry, biochemistry, environmental chemistry, medical diagnostics, and forensics. In these fields it is known that the isotopic signature of a molecule can be deduced based on mass spectrometry data and used to infer information about the origin or age of the molecule. [0003] Attempts have been made (see, eg, US Patent No. 9,111,735) to determine the elemental composition of molecules based on high resolution mass spectra with resolvable isotopic peaks. Such methods involve analyzing mass spectra in an attempt to count the number of atoms present in a molecule. However, the low abundance of the measured isotopes and the low number of ...

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): H01J49/00
CPCH01J49/0031H01J49/0036H01J49/0045H01J49/425
Inventor J·M·埃勒S·C·牛鲍威M·J·斯威多斯基J·戈利普-拉明
Owner THERMO FISHER SCI BREMEN