Characterizing some gossypol and gossypolone Schiff's bases by studying their fragmentation patterns with electrospray ionization tandem mass spectra

2009 ◽  
Vol 20 (6) ◽  
pp. 716-719 ◽  
Author(s):  
Long Zhang ◽  
Xing Xin Cao ◽  
Hai Xia Jiang ◽  
Biao Jiang ◽  
Yu Xin Cui
Keyword(s):  
Electrospray Ionization ◽  
Mass Spectra ◽  
Tandem Mass ◽  
Schiff’S Bases ◽  
Tandem Mass Spectra ◽  
Schiff's Bases ◽  
Fragmentation Patterns

scholarly journals Ion Identity Molecular Networking in the GNPS Environment

2020 ◽  
Author(s):  
Robin Schmid ◽  
Daniel Petras ◽  
Louis-Félix Nothias ◽  
Mingxun Wang ◽  
Allegra T. Aron ◽  
...  
Keyword(s):  
Mass Spectra ◽  
Network Connectivity ◽  
Molecular Networks ◽  
Tandem Mass ◽  
Molecular Networking ◽  
Tandem Mass Spectra ◽  
Fragmentation Behavior ◽  
Fragmentation Patterns ◽  
Spectral Libraries ◽  
Ion Species

AbstractMolecular networking connects tandem mass spectra of molecules based on the similarity of their fragmentation patterns. However, during ionization, molecules commonly form multiple ion species with different fragmentation behavior. To connect ion species of the same molecule, we developed Ion Identity Molecular Networking. These new relationships improve network connectivity, are shown to reveal novel ion-ligand complexes, enhance annotation within molecular networks, and facilitate the expansion of spectral libraries.

Quality Control for Building Libraries from Electrospray Ionization Tandem Mass Spectra

2014 ◽  
Vol 86 (13) ◽  
pp. 6393-6400 ◽  
Author(s):  
Xiaoyu Yang ◽  
Pedatsur Neta ◽  
Stephen E. Stein
Keyword(s):  
Quality Control ◽  
Electrospray Ionization ◽  
Mass Spectra ◽  
Tandem Mass ◽  
Tandem Mass Spectra
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