Looking for breakthrough ideas for innovation challenges? Try Patsnap Eureka!

Method and apparatus for automatic peak integration

An automatic peak and evaluation device technology, applied in the direction of measurement devices, material separation, analysis materials, etc., can solve the problem that the retention time peak width and asymmetry are not enough to realize peak discovery and evaluation

Pending Publication Date: 2022-03-18
F HOFFMANN LA ROCHE & CO AG
View PDF2 Cites 1 Cited by
  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

AI Technical Summary

Problems solved by technology

However, simply considering the shift in internal standard retention times suggested in EP 3271 715 A1 or even the peak widths and asymmetries suggested in the Waters MassLynx 4.0 manual may not be sufficient for reliable peak finding and evaluation to allow automation without any user interaction or inspection

Method used

the structure of the environmentally friendly knitted fabric provided by the present invention; figure 2 Flow chart of the yarn wrapping machine for environmentally friendly knitted fabrics and storage devices; image 3 Is the parameter map of the yarn covering machine
View more

Image

Smart Image Click on the blue labels to locate them in the text.
Viewing Examples
Smart Image
  • Method and apparatus for automatic peak integration
  • Method and apparatus for automatic peak integration
  • Method and apparatus for automatic peak integration

Examples

Experimental program
Comparison scheme
Effect test

Embodiment Construction

[0152] figure 1 A comparison is shown for automatic peak integration (boxes) known in the art using a fixed retention time window versus a method using manual inspection of true peak integration. For lower analyte concentrations, automated methods using fixed retention time windows can lead to incorrect quantification. Incorrect results are caused by the integration of incorrect peaks due to sample-specific retention time shifts. also, figure 1 Shown is a comparison for automatic peak integration according to the invention with a method using manual inspection of real peak integrations (circles). The method according to the invention is used to ensure that the correct signal is picked up and the area ratio is quantified correctly.

[0153] Figures 2A to 2C An example of the effect of adjusting RT based on the retention time (RT) of the internal standard (ISTD) is shown. Figure 2A and 2B Peak integrations of exemplary analyte chromatograms are shown, with retention time...

the structure of the environmentally friendly knitted fabric provided by the present invention; figure 2 Flow chart of the yarn wrapping machine for environmentally friendly knitted fabrics and storage devices; image 3 Is the parameter map of the yarn covering machine
Login to View More

PUM

No PUM Login to View More

Abstract

A computer-implemented method for automatic peak integration of at least one chromatogram of at least one sample is presented. The sample comprises at least one analyte and at least one chemically related substance. The method comprises the steps of: a) retrieving at least one chromatogram of the chemically related substance and at least one chromatogram of the analyte; (114, 116) b) evaluating the chromatogram of the chemical related substance, wherein the evaluation comprises b1) determining a retention time (118) of the chemical-related substance and adding the retention time of the chemical-related substance to a predetermined or predefined constant offset and / or multiplying the retention time of the chemical-related substance by a predetermined or predefined constant factor (120), b) determining at least one initial value (117) of the analyte retention time by determining a peak shape parameter (121) of at least one peak of the chromatogram of the chemically relevant substance, b2) determining at least one initial value (122) of an analyte peak shape parameter by determining a peak shape parameter (121) of at least one peak of the chromatogram of the chemically relevant substance; c) evaluating the chromatogram of the analyte, where the evaluation comprises c1) at least one step (124) of position determination, where the analyte retention time is determined by taking into account the initial value of the retention time of the chemically relevant substance; c2) at least one peak integration step (126) in which at least one fitting analysis is applied to the chromatogram of the analyte by taking into account an initial value of an analyte peak shape parameter and the analyte retention time, thereby determining an analyte peak area and an analyte peak shape.

Description

technical field [0001] The present invention relates to a computer-implemented method, computer-implementable processing line and mass spectrometry system for automatic peak integration of at least one chromatogram of at least one sample. Background technique [0002] Peak finding and evaluation in liquid chromatography-mass spectrometry (LC-MS) or mass spectrometry (MS) often requires user interaction or correction by an expert user, such as for selecting or assigning the correct peak. For several years, there has been a need for automation of peak finding and evaluation, eg, to reduce user interaction, thereby enhancing measurement reliability. [0003] Peaks in LC-MS or mass spectrometry-based chromatography undergo time shifts and / or changes in peak shape. Such shifts and variations can be caused by matrix effects and system performance losses such as degradation of LC columns. Automated methods for peak picking use fixed retention time targets and fixed retention time...

Claims

the structure of the environmentally friendly knitted fabric provided by the present invention; figure 2 Flow chart of the yarn wrapping machine for environmentally friendly knitted fabrics and storage devices; image 3 Is the parameter map of the yarn covering machine
Login to View More

Application Information

Patent Timeline
no application Login to View More
Patent Type & Authority Applications(China)
IPC IPC(8): G01N30/88G01N30/86
CPCG01N30/88G01N30/8634G01N30/8606G01N30/8613G01N30/8637G01N2030/045G01N30/8617H01J49/0036G01N30/8631G01N30/72G01N30/7233G01N2030/027
Inventor G·巴比茨基R·劳宾德J·米歇利A·赖歇特K·塔拉索夫
Owner F HOFFMANN LA ROCHE & CO AG
Who we serve
  • R&D Engineer
  • R&D Manager
  • IP Professional
Why Patsnap Eureka
  • Industry Leading Data Capabilities
  • Powerful AI technology
  • Patent DNA Extraction
Social media
Patsnap Eureka Blog
Learn More
PatSnap group products

Browse by: Latest US Patents, China's latest patents, Technical Efficacy Thesaurus, Application Domain, Technology Topic, Popular Technical Reports.

© 2024 PatSnap. All rights reserved.Legal|Privacy policy|Modern Slavery Act Transparency Statement|Sitemap|About US| Contact US: help@patsnap.com