Stereochemistry Studies of Some 1,3-dioxane Derivatives by Differential Mass Spectrometry and Computational Chemistry

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pp. 185-191 ◽  
Author(s):  
Florian Harja ◽  
Christine Bettendorf ◽  
Ion Grosu ◽  
Nicolae Dinca
Keyword(s):  
Mass Spectrometry ◽  
Computational Chemistry

scholarly journals Investigation of fragmentation behaviours of isoquinoline alkaloids by mass spectrometry combined with computational chemistry

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Vol 10 (1) ◽  
Author(s):  
Zhixing Qing ◽  
Yuqin Xu ◽  
Liuyi Yu ◽  
Jinghong Liu ◽  
Xiuqiong Huang ◽  
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Keyword(s):  
Mass Spectrometry ◽  
Computational Chemistry ◽  
Isoquinoline Alkaloids

Characterization of iminothiosulfine-type ions [HNCS2]+/− and their neutral counterparts by mass spectrometry and computational chemistry

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Vol 332 (3-4) ◽  
pp. 251-258 ◽  
Author(s):  
S. Vivekananda ◽  
P. Raghunath ◽  
K. Bhanuprakash ◽  
R. Srinivas ◽  
Moschoula A. Trikoupis ◽  
...  
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Mass Spectrometry ◽  
Computational Chemistry

Combined use of tandem mass spectrometry and computational chemistry to study 2H -chromenes from Piper aduncum

2019 ◽  
Vol 54 (7) ◽  
pp. 634-642 ◽  
Author(s):  
Amauri Alves Souza ◽  
Ricardo Vessecchi ◽  
Ian Castro-Gamboa ◽  
Maysa Furlan
Keyword(s):  
Mass Spectrometry ◽  
Tandem Mass Spectrometry ◽  
Computational Chemistry ◽  
Tandem Mass ◽  
Combined Use ◽  
Piper Aduncum

Computational chemistry: A useful (sometimes mandatory) tool in mass spectrometry studies

2001 ◽  
Vol 20 (4) ◽  
pp. 195-245 ◽  
Author(s):  
Manuel Alcamí ◽  
Otilia Mó ◽  
Manuel Yáñez
Keyword(s):  
Mass Spectrometry ◽  
Computational Chemistry

Gas-phase fragmentation of protonated piplartine and its fungal metabolites using tandem mass spectrometry and computational chemistry

2017 ◽  
Vol 52 (8) ◽  
pp. 517-525 ◽  
Author(s):  
E. A. da Silva-Junior ◽  
C. R. Paludo ◽  
D. R. Gouvea ◽  
M. J. Kato ◽  
N. A. J. C. Furtado ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Tandem Mass Spectrometry ◽  
Computational Chemistry ◽  
Gas Phase ◽  
Tandem Mass ◽  
Fungal Metabolites ◽  
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2016 ◽  
Vol 18 (18) ◽  
pp. 12557-12568 ◽  
Author(s):  
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Vincent Lemaur ◽  
Julien De Winter ◽  
Lyle Isaacs ◽  
Edwin De Pauw ◽  
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Keyword(s):  
Mass Spectrometry ◽  
Computational Chemistry ◽  
Charge State ◽  
Collision Induced Dissociation

The influence of the charge state on the CID reactions undergone by host–guest complexes is monitored by mass spectrometry and described by computational chemistry.

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