Method and device for determining the molecular weight of compound

A molecular weight and compound technology, used in measurement devices, molecular entity identification, analytical materials, etc., can solve the problems of accuracy impact, inability to distinguish the components of the organic matter to be tested by retention time, and inability to accurately detect the molecular weight of compounds, etc., to improve sensitivity. , Improve detection accuracy, reduce the effect of quantification limit and detection limit

Pending Publication Date: 2021-01-29
CHINA AGRI UNIV
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Problems solved by technology

In this process, the mass spectrometry measurement of isotopic abundance is affected by the accuracy of the instrument, and it is impossible to accurately distinguish the components of the organic matter to be measured according to the molecular weight and retention time in the standard library.
It can be seen that the existing analytical methods cannot accurately detect the molecular weight of the compound

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  • Method and device for determining the molecular weight of compound
  • Method and device for determining the molecular weight of compound
  • Method and device for determining the molecular weight of compound

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Embodiment Construction

[0052] The following will clearly and completely describe the technical solutions in the embodiments of the present invention with reference to the accompanying drawings in the embodiments of the present invention. Obviously, the described embodiments are only some, not all, embodiments of the present invention. Based on the embodiments of the present invention, all other embodiments obtained by persons of ordinary skill in the art without making creative efforts belong to the protection scope of the present invention.

[0053] The terms "first" and "second" in the specification and claims of the present invention and the above drawings are used to distinguish different objects, rather than to describe a specific order. Furthermore, the terms "comprising" and "having", and any variations thereof, are intended to cover a non-exclusive inclusion. For example, a process, method, system, product or apparatus comprising a series of steps or units is not defined by listed steps or u...

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Abstract

The invention discloses a method and a device for determining the molecular weight of a compound. The method comprises the following steps: acquiring a mass spectrogram of a sample and determining anisotope ion peak; determining a candidate range of the molecular weight of the sample based on the isotope ion peak; obtaining a candidate molecular formula of the sample according to the candidate range of the molecular weight of the sample; comparing the candidate molecular formulas with a pre-created isotope standard library to obtain a similarity result of the sample and a standard compound inthe isotope standard library, the isotope standard library comprising molecular formulas screened based on an isotope principle; and determining the molecular weight of the sample based on the similarity result. Similarity comparison is carried out on the organic matter to be detected and isotope distribution to determine the molecular weight of the organic matter, the detection sensitivity is improved, the compound quantification limit and detection limit are reduced, and the compound molecular weight detection accuracy is improved.

Description

technical field [0001] The invention relates to the technical field of chemical data processing, in particular to a method and device for determining the molecular weight of a compound. Background technique [0002] At present, food quality and safety issues have attracted more and more attention, especially the pesticide residues in fruits and vegetables have become the focus of attention. Existing detection methods for pesticide residues are usually based on external standard methods, with relatively high limits of quantification and detection. Stable isotope techniques are widely used in geology, hydrology, atmospheric science, food safety, and chemistry. It is a traceability technology based on the difference of stable isotopes in organisms, and it is mainly used in the origin traceability and substance adulteration research of agricultural products. This technique utilizes isotope mass spectrometers to record isotope content by precisely measuring abundance values. Th...

Claims

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G16C20/20G01N27/62
CPCG01N27/62G16C20/20
Inventor 张莉邵兵李华胡玉婷
Owner CHINA AGRI UNIV
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