scholarly journals Screening of multi-class antibiotics in pork meat by LC-Orbitrap-MS with modified QuEChERS extraction

RSC Advances ◽  
2019 ◽  
Vol 9 (48) ◽  
pp. 28119-28125 ◽  
Author(s):  
Qing Chen ◽  
Xiao-Dong Pan ◽  
Bai-Fen Huang ◽  
Jian-Long Han ◽  
Biao Zhou
Keyword(s):  
Mass Spectrometry ◽  
High Resolution ◽  
High Resolution Mass Spectrometry ◽  
Pork Meat ◽  
Modified Quechers ◽  
High Resolution Mass ◽  
Orbitrap Ms ◽  
Resolution Mass

The quantification capability of high resolution mass spectrometry is of great interest to analysts.

scholarly journals A comprehensive characterisation of beer polyphenols by high resolution mass spectrometry (LC–ESI-LTQ-Orbitrap-MS)

2015 ◽  
Vol 169 ◽  
pp. 336-343 ◽  
Author(s):  
Paola Quifer-Rada ◽  
Anna Vallverdú-Queralt ◽  
Miriam Martínez-Huélamo ◽  
Gemma Chiva-Blanch ◽  
Olga Jáuregui ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
High Resolution ◽  
High Resolution Mass Spectrometry ◽  
High Resolution Mass ◽  
Orbitrap Ms ◽  
Resolution Mass

scholarly journals Rapid Screening of 350 Pesticide Residues in Vegetable and Fruit Juices by Multi-Plug Filtration Cleanup Method Combined with Gas Chromatography-Electrostatic Field Orbitrap High Resolution Mass Spectrometry

Foods ◽  
2021 ◽  
Vol 10 (7) ◽  
pp. 1651
Author(s):  
Zhijuan Meng ◽  
Qiang Li ◽  
Jianhan Cong ◽  
Yunxia Huang ◽  
Dong Wang ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Gas Chromatography ◽  
High Resolution ◽  
Electrostatic Field ◽  
Pesticide Residues ◽  
High Resolution Mass Spectrometry ◽  
Fruit Juices ◽  
High Resolution Mass ◽  
Orbitrap Ms ◽  
Resolution Mass

A new method for screening pesticide residues in vegetable and fruit juices by the multi-plug filtration cleanup (m-PFC) method combined with gas chromatography-electrostatic field orbitrap high resolution mass spectrometry(GC-Orbitrap/MS) was developed. The samples were extracted with acetonitrile, purified with m-PFC and determined by GC-Orbitrap/MS. Qualitative analysis was confirmed by retention time, accurate molecular mass and quantitative analysis were performed with the matrix standard calibration. It could eliminate matrix interference effectively. Eight kinds of typical samples (orange juice, apple juice, grape juice, strawberry juice, celery juice, carrot juice, cucumber juice, tomato juice) were evaluated. The linear ranges of the 350 pesticides were from 5 to 500 μg/kg, with good correlation coefficients greater than 0.990. The limits of detection (LODs) were 0.3–3.0 μg/kg and the limits of quantification (LOQs) were 1.0–10.0 μg/kg. The average recoveries at three spiked levels of 10, 100, 200 μg/kg were in the range of 72.8–122.4%, with relative standard deviations (RSDs) of 2.0–10.8%. The method has effectively improved the determination efficiency of pesticide residue screening by high-resolution mass spectrometry in vegetable and fruit juices.

Exploring the Active Compounds of Traditional Mongolian Medicine Agsirga in Intervention of Novel Coronavirus (2019-nCoV) Based on HPLC-Q-Exactive-MS/MS and Molecular Docking Method

2020 ◽  
Author(s):  
Jie Cheng ◽  
Yuchen Tang ◽  
Baoquan Bao ◽  
Ping Zhang
Keyword(s):  
Mass Spectrometry ◽  
Molecular Docking ◽  
High Resolution ◽  
Mass Spectra ◽  
High Resolution Mass Spectrometry ◽  
Structural Formula ◽  
Active Compounds ◽  
High Resolution Mass ◽  
Q Exactive ◽  
Resolution Mass

<p><a></a><a></a><a></a><a><b>Objective</b></a>: To screen all compounds of Agsirga based on the HPLC-Q-Exactive high-resolution mass spectrometry and find potential inhibitors that can respond to 2019-nCoV from active compounds of Agsirga by molecular docking technology.</p> <p><b>Methods</b>: HPLC-Q-Exactive high-resolution mass spectrometry was adopted to identify the complex components of Mongolian medicine Agsirga, and separated by the high-resolution mass spectrometry Q-Exactive detector. Then the Orbitrap detector was used in tandem high-resolution mass spectrometry, and the related molecular and structural formula were found by using the chemsipider database and related literature, combined with precise molecular formulas (errors ≤ 5 × 10<sup>−6</sup>) , retention time, primary mass spectra, and secondary mass spectra information, The fragmentation regularities of mass spectra of these compounds were deduced. Taking ACE2 as the receptor and deduced compounds as the ligand, all of them were pretreated by discover studio, autodock and Chem3D. The molecular docking between the active ingredients and the target protein was studied by using AutoDock molecular docking software. The interaction between ligand and receptor is applied to provide a choice for screening anti-2019-nCoV drugs.</p> <p><b>Result</b>: Based on the fragmentation patterns of the reference compounds and consulting literature, a total of 96 major alkaloids and stilbenes were screened and identified in Agsirga by the HPLC-Q-Exactive-MS/MS method. Combining with molecular docking, a conclusion was got that there are potential active substances in Mongolian medicine Agsirga which can block the binding of ACE2 and 2019-nCoV at the molecular level.</p>

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