Monoisotopic mass spectra of some boranes and borane derivatives

1973 ◽  
Vol 77 (25) ◽  
pp. 2984-2988 ◽  
Author(s):  
E. McLaughlin ◽  
L. H. Hall ◽  
R. W. Rozett
Keyword(s):  
Mass Spectra ◽  
Monoisotopic Mass

Monoisotopic mass spectra

1973 ◽  
Vol 52 (2) ◽  
pp. 261-268 ◽  
Author(s):  
E. Mclaughlin ◽  
R.W. Rozett
Keyword(s):  
Mass Spectra ◽  
Monoisotopic Mass

Monoisotopic mass spectra of borane derivatives

1972 ◽  
Vol 76 (13) ◽  
pp. 1860-1867 ◽  
Author(s):  
Eileen McLaughlin ◽  
R. W. Rozett
Keyword(s):  
Mass Spectra ◽  
Monoisotopic Mass

scholarly journals DeconMSn: a software tool for accurate parent ion monoisotopic mass determination for tandem mass spectra

2008 ◽  
Vol 24 (7) ◽  
pp. 1021-1023 ◽  
Author(s):  
A. M. Mayampurath ◽  
N. Jaitly ◽  
S. O. Purvine ◽  
M. E. Monroe ◽  
K. J. Auberry ◽  
...  
Keyword(s):  
Mass Spectra ◽  
Software Tool ◽  
Tandem Mass ◽  
Mass Determination ◽  
Monoisotopic Mass ◽  
Tandem Mass Spectra

Monoisotopic mass spectra of the boranes

1971 ◽  
Vol 75 (20) ◽  
pp. 3106-3113 ◽  
Author(s):  
Eileen McLaughlin ◽  
Ting Eng Ong ◽  
R. W. Rozett
Keyword(s):  
Mass Spectra ◽  
Monoisotopic Mass

scholarly journals Multiplexed Post-Experimental Monoisotopic Mass Refinement (mPE-MMR) to Increase Sensitivity and Accuracy in Peptide Identifications from Tandem Mass Spectra of Cofragmentation

2016 ◽  
Vol 89 (2) ◽  
pp. 1244-1253 ◽  
Author(s):  
Inamul Hasan Madar ◽  
Seung-Ik Ko ◽  
Hokeun Kim ◽  
Dong-Gi Mun ◽  
Sangtae Kim ◽  
...  
Keyword(s):  
Mass Spectra ◽  
Tandem Mass ◽  
Monoisotopic Mass ◽  
Tandem Mass Spectra

A FACILE SYNTHESIS AND REACTIONS OF AMINO SELENOLO[2,3-b]PYRIDINE CARBOXYLATE

2015 ◽  
Vol 12 (1) ◽  
pp. 3910-3918 ◽  
Author(s):  
Dr Remon M Zaki ◽  
Prof Adel M. Kamal El-Dean ◽  
Dr Nermin A Marzouk ◽  
Prof Jehan A Micky ◽  
Mrs Rasha H Ahmed
Keyword(s):  
Biological Activity ◽  
Carbonyl Compounds ◽  
Mass Spectra ◽  
The Other ◽  
Pyridine Derivatives ◽  
Facile Synthesis ◽  
High Biological Activity ◽  
Basic Hydrolysis ◽  
Pyridine Carboxylate ◽  
Hydrolysis Of

 Incorporating selenium metal bonded to the pyridine nucleus was achieved by the reaction of selenium metal with 2-chloropyridine carbonitrile 1 in the presence of sodium borohydride as reducing agent. The resulting non isolated selanyl sodium salt was subjected to react with various α-halogenated carbonyl compounds to afford the selenyl pyridine derivatives 3a-f  which compounds 3a-d underwent Thorpe-Ziegler cyclization to give 1-amino-2-substitutedselenolo[2,3-b]pyridine compounds 4a-d, while the other compounds 3e,f failed to be cyclized. Basic hydrolysis of amino selenolo[2,3-b]pyridine carboxylate 4a followed by decarboxylation furnished the corresponding amino selenolopyridine compound 6 which was used as a versatile precursor for synthesis of other heterocyclic compound 7-16. All the newly synthesized compounds were established by elemental and spectral analysis (IR, 1H NMR) in addition to mass spectra for some of them hoping these compounds afforded high biological activity.

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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