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Establishment and application of high-throughput screening mass spectrum database for cosmetic safety risk substances

A safety risk, cosmetic technology, applied in measurement devices, instruments, scientific instruments, etc., can solve the problems of inability to detect prohibited and restricted components, regulatory loopholes, low detection efficiency, etc., to improve detection speed and efficiency, and qualitative speed. , the effect of reducing the cost of testing

Pending Publication Date: 2021-11-19
广东省药品检验所
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

AI Technical Summary

Problems solved by technology

[0002] From a technical point of view, the "Safety and Technical Specifications for Cosmetics" lists 1388 prohibited components and 47 restricted components, but the existing detection standards and methods are seriously lacking, and the coverage rate is less than 15%. Restricted components cannot be detected, and there are large regulatory loopholes
Since different brands of high-resolution mass spectrometers cannot share the information of the spectral database with each other, it is necessary to establish a separate applicable mass spectrometry screening database for qualitative screening and confirmation. The detection efficiency is low, and it is difficult to realize the detection of unknown risk substances. Qualitative and quantitative testing

Method used

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  • Establishment and application of high-throughput screening mass spectrum database for cosmetic safety risk substances
  • Establishment and application of high-throughput screening mass spectrum database for cosmetic safety risk substances
  • Establishment and application of high-throughput screening mass spectrum database for cosmetic safety risk substances

Examples

Experimental program
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Effect test

Embodiment 1

[0078] This example provides a method for establishing a mass spectrometry database for high-throughput screening of cosmetic safety risks. The establishment of the database is based on ultra-high performance liquid chromatography, Q-TOF high-resolution mass spectrometry, and SCIEX OS and LibraryView systems. The specific steps are as follows :

[0079] S1: Selection and classification of cosmetic safety risk substances

[0080] A. Selection of Cosmetic Safety Risk Substances

[0081] The compounds included in the high-throughput screening mass spectrometry database of cosmetic safety risk substances are selected according to the following principles: ①. Compounds covered by the relevant standards for the detection of prohibited and restricted components in cosmetics, including physical and chemical testing methods in the "Safety and Technical Specifications for Cosmetics", national standards GB / T, import and export industry standard SN / T, light industry standard QB / T and loc...

Embodiment 2

[0132] This example provides an application of the high-throughput screening mass spectrometry database of cosmetic safety risk substances constructed by the embodiment in the detection of cosmetic safety risk substances, and specifically provides a method for qualitative and quantitative detection of safety risk substances in cosmetics. Use the information-dependent scanning IDA (TOF MS-IDA-TOF MS / MS) mode to collect sample data, and use the non-targeted screening mode (Non-targeted screening) for qualitative screening in combination with the established database. The screening database can be divided into categories Select can also select the total database for screening matching.

[0133] The method for qualitative and quantitative detection of safety risk substances in cosmetics specifically includes the following steps:

[0134] (1) Preparation of samples to be tested

[0135] Accurately weigh 0.2g of a cosmetic sample (accurate to 0.0001g), place it in a 15mL centrifuge...

Embodiment 3

[0150] This embodiment provides a method for qualitative detection of cosmetic safety risk substances, the specific steps are as follows:

[0151] Established the current national standard GBT 24800.2-2009 for the determination of 41 glucocorticoids in cosmetics and the UPLC-Q-TOF method for 42 glucocorticoids such as triamcinolone involved in the method issued by the national bureau "Testing method for fluocinolone in facial mask cosmetics" High-resolution mass spectrometry database.

[0152] 1. Collect and organize the basic information of 42 glucocorticoids including triamcinolone

[0153] The Chinese and English names, chemical molecular formulas, CAS numbers, and precise molecular weights of 42 glucocorticoids such as triamcinolone are shown in Table 5. The mol files are downloaded from the chemspider website, and the basic information is entered into the database. At the same time, the precise molecular weight of the compound was automatically calculated based on the mo...

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Abstract

The invention belongs to the field of cosmetic safety and chemical mass spectrum detection and particularly relates to establishment and application of a high-throughput screening mass spectrum database for cosmetic safety risk substances. According to the method, a high-throughput screening mass spectrum database for the safety risk substances in the cosmetics is constructed according to an ultra-high performance liquid chromatography-quadrupole time-of-flight high-resolution mass spectrometer (UPLC-Q-TOF), SCIEX OS and Library View software; the safety risk substances in the sample are rapidly screened and qualitatively determined according to the retention time of the compounds in the database, the precise quality information of parent ions and fragment ions, the isotope abundance ratio and the like, and an effective technical support is provided for risk monitoring and hidden danger investigation; compared with the prior art, the established database is greatly advantaged in that the qualitative speed is high and accurate when the database is used for screening unknown substances in a sample, multiple types of forbidden and limited substances in the sample can be rapidly, qualitatively and quantitatively detected at the same time under the condition that no standard substance exists, detection cost is reduced, and the detection speed and efficiency are greatly improved.

Description

technical field [0001] The invention belongs to the field of cosmetic safety and chemical mass spectrum detection, and specifically relates to the establishment and application of a mass spectrum database for high-throughput screening of cosmetic safety risk substances. Background technique [0002] From a technical point of view, the "Safety and Technical Specifications for Cosmetics" lists 1388 prohibited components and 47 restricted components, but the existing detection standards and methods are seriously lacking, and the coverage rate is less than 15%. Restricted components cannot be detected, and there are large regulatory loopholes. In addition, the same testing standard detects fewer components, and the same cosmetic requires multiple standards for combined testing, resulting in low laboratory testing efficiency. Liquid chromatography-tandem triple quadrupole mass spectrometry, the most commonly used method for the qualitative and quantitative determination of prohi...

Claims

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G01N30/02G01N30/06G01N30/72G01N30/86
CPCG01N30/02G01N30/06G01N30/72G01N30/8634
Inventor 李杨杰方继辉黄佳颖
Owner 广东省药品检验所
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