Non‐targeted acquisition strategy for screening doping compounds based on GC‐EI‐hybrid quadrupole‐Orbitrap mass spectrometry: A focus on exogenous anabolic steroids

Cavalcanti, Gustavo de Albuquerque; Rodrigues, Lucas Mateus Rivero; Santos, Leonardo dos; Zheng, Xin; Gujar, Amit; Cole, Jason; Padilha, Marina; Neto, Francisco Radler de Aquino

doi:10.1002/dta.2227

Cited by 17 publications

(14 citation statements)

References 21 publications

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“…The screening of doping control sample digital matrix data would allow one to readily extract the required information from thousands of already analyzed specimens, rapidly contributing critical information to the substance’s prevalence and patterns of use among athletes and thus complementing WADA’s established monitoring program. The approach and its utility have been discussed for several years, and also recently, the added value and practicability were reported in various studies. − The presented results corroborated the potential of exploiting the digital matrix as an asset in advancing anti-doping efforts, which might however require one to refine the respective legal frameworks and further optimized strategies concerning both analytical methods and data mining tools.…”

Section: Challenges and Solutionssupporting

confidence: 58%

Analytical Approaches in Human Sports Drug Testing: Recent Advances, Challenges, and Solutions

2019

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Section: Challenges and Solutionssupporting

confidence: 58%

Analytical Approaches in Human Sports Drug Testing: Recent Advances, Challenges, and Solutions

2019

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“…The results were in a good agreement with those obtained by GC triple quadrupole technique, but for some compounds low resolution of GC-MS/MS led to high background noise. These results demonstrate that there is a need for HRMS operating simultaneously in full-scan, SIM, and MS/MS modes to meet the established requirements in doping control analysis [100].…”

Section: Hormones and Doping Controlmentioning

confidence: 78%

Recent applications of gas chromatography with high‐resolution mass spectrometry

S̆pánik¹,

Machyňáková²

2017

J of Separation Science

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Gas chromatography coupled to high-resolution mass spectrometry is a powerful analytical method that combines excellent separation power of gas chromatography with improved identification based on an accurate mass measurement. These features designate gas chromatography with high-resolution mass spectrometry as the first choice for identification and structure elucidation of unknown volatile and semivolatile organic compounds. Gas chromatography with high-resolution mass spectrometry quantitative analyses was previously focused on the determination of dioxins and related compounds using magnetic sector type analyzers, a standing requirement of many international standards. The introduction of a quadrupole high-resolution time-of-flight mass analyzer broadened interest in this method and novel applications were developed, especially for multi-target screening purposes. This review is focused on the development and the most interesting applications of gas chromatography coupled to high-resolution mass spectrometry towards analysis of environmental matrices, biological fluids, and food safety since 2010. The main attention is paid to various approaches and applications of gas chromatography coupled to high-resolution mass spectrometry for non-target screening to identify contaminants and to characterize the chemical composition of environmental, food, and biological samples. The most interesting quantitative applications, where a significant contribution of gas chromatography with high-resolution mass spectrometry over the currently used methods is expected, will be discussed as well. K E Y W O R D Saccurate mass measurement, environmental analysis, gas chromatography, high-resolution mass spectrometry, pesticide residues

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“…After GC was coupled with Orbitrap-MS in 2015, its resolution could reach 60,000 (219 m/z, FWHM), mass accuracy could reach 1 ppm, and sensitivity could reach femtogram level, which provided more possibilities to advance the depth and breadth of GC-MS technology 35 , 36 . At present, GC-Orbitrap-MS began to be used to detect pesticide residues 37 , nitrosamines in children’s products 38 , persistent organic pollutants in the environment 39 , soluble and extractable substances in package materials 40 , stimulants and banned substances in urine 41 and metabonomics 42 . GC-Orbitrap-MS can provide accurate qualitative quantification of benzene compounds in chili peppers 43 .…”

Section: Background and Summarymentioning

confidence: 99%

A high-resolution Orbitrap Mass spectral library for trace volatile compounds in fruit wines

Liu

et al. 2022

Sci Data

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The overall aroma is an important factor of the sensory quality of fruit wines, which attributed to hundreds of volatile compounds. However, the qualitative determination of trace volatile compounds is considered to be very challenging work. GC-Orbitrap-MS with high resolution and high sensitivity provided more possibilities for the determination of volatile compounds, but without the high-resolution mass spectral library. For accuracy of qualitative determination in fruit wines by GC-Orbitrap-MS, a high-resolution mass spectral library, including 76 volatile compounds, was developed in this study. Not only the HRMS spectrum but also the exact ion fragment, relative abundance, retention indices (RI), CAS number, chemical structure diagram, aroma description and aroma threshold (ortho-nasally) were provided and were shown in a database website (Food Flavor Laboratory, http://foodflavorlab.cn/). HRMS library was used to successfully identify the volatile compounds mentioned above in 16 fruit wines (5 blueberry wines, 6 goji berry wines and 5 hawthorn wines). The library was developed as an important basis for further understanding of trace volatile compounds in fruit wines.

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Non‐targeted acquisition strategy for screening doping compounds based on GC‐EI‐hybrid quadrupole‐Orbitrap mass spectrometry: A focus on exogenous anabolic steroids

Cited by 17 publications

References 21 publications

Analytical Approaches in Human Sports Drug Testing: Recent Advances, Challenges, and Solutions

Analytical Approaches in Human Sports Drug Testing: Recent Advances, Challenges, and Solutions

Recent applications of gas chromatography with high‐resolution mass spectrometry

A high-resolution Orbitrap Mass spectral library for trace volatile compounds in fruit wines

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