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Method of generating an inclusion list for targeted mass spectrometric analysis

A mass spectrometry and targeting technology, applied in the field of inclusion list of targeted mass spectrometry, can solve the problem of high cost

Active Publication Date: 2018-08-21
THERMO FINNIGAN
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

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Problems solved by technology

This often requires an intermediate validation step using label-free quantification techniques such as data-independent acquisition (DIA) or MS1 based on exploratory quantification, which can be costly in terms of performance, samples, instrument time, and reagents

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  • Method of generating an inclusion list for targeted mass spectrometric analysis
  • Method of generating an inclusion list for targeted mass spectrometric analysis
  • Method of generating an inclusion list for targeted mass spectrometric analysis

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Embodiment Construction

[0024] Embodiments of the invention relate to systems and methods for directly converting the results of isobaric labeling experiments into inclusion lists for label-free targeted mass spectrometry or quantification.

[0025] As used herein, the term "retention time" refers to the time elapsed over which a sample is first introduced into and eluted from a chromatography column.

[0026] figure 1 A broad overview of the process of generating an inclusion list for targeted mass spectrometry analysis according to one embodiment of the invention is presented. The first step involves receiving data generated in an isobaric diversification exploration quantitative study. In general, quantitative experiments for isobaric multiplex exploration involve: preparing several samples separately; enzymatic digestion of the samples to generate fragmented peptides; adding different reagents from the set of isobaric labeling reagents to each of the samples One, to label the peptides contained...

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Abstract

A method of generating an inclusion list for targeted mass spectrometric analysis is disclosed. Experimentally-acquired data for a plurality of isobarically-labeled peptides of interest is received ata computer. The data includes, for each of the isobarically-labeled peptides, a mass-to-charge (m / z) ratio, a charge state, and a chromatographic retention time. Predicted properties for a corresponding unlabeled peptide are determined via the computer. The predicted properties include a predicted m / z, a predicted charge state, and a predicted chromatographic retention time. The predicted properties for each corresponding unlabeled peptide are stored to the inclusion list. The predicted chromatographic retention time for the corresponding unlabeled peptide is determined based on hydrophobicity indices of the isobarically-labeled peptide and the corresponding unlabeled peptide, and chromatographic conditions for the targeted mass spectrometric analysis.

Description

technical field [0001] The present invention relates to quantitative based mass spectrometry. More specifically, the present invention relates to the use of analysis results of corresponding isobarically labeled peptides to generate inclusion lists for targeted mass spectrometry analysis. Background technique [0002] Protein quantification using mass spectrometry requires sample preparation, instrument operation, and software integration. Strategies to improve sensitivity and comprehensiveness generally require large sample sizes and multidimensional fractionation, which sacrifices throughput. Instead, efforts to improve the sensitivity and throughput of protein quantification necessarily limit the number of features that can be monitored. For this reason, proteomics research is generally divided into two categories: exploratory and targeted proteomics. [0003] Exploratory proteomics experiments aim to identify as many proteins as possible over a wide dynamic range. Th...

Claims

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G01N33/68
CPCG01N33/6848G01N30/8679H01J49/0027G01N30/7233H01J49/004G01N2458/15
Inventor R·I·怀纳M·A·布兰克
Owner THERMO FINNIGAN