Structural study of acetogenins by tandem mass spectrometry under high and low collision energy

2010 ◽  
Vol 24 (24) ◽  
pp. 3602-3608 ◽  
Author(s):  
Julie Allegrand ◽  
David Touboul ◽  
Isabelle Schmitz-Afonso ◽  
Vincent Guérineau ◽  
Alexandre Giuliani ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Tandem Mass Spectrometry ◽  
Structural Study ◽  
Collision Energy ◽  
Tandem Mass

scholarly journals Utilizing ion mobility and tandem mass spectrometry to evaluate the structure and behaviour of multimeric cyclodextrin complexes

2015 ◽  
Vol 93 (12) ◽  
pp. 1313-1319 ◽  
Author(s):  
Kevin Berland ◽  
Justin B. Renaud ◽  
Paul M. Mayer
Keyword(s):  
Mass Spectrometry ◽  
Tandem Mass Spectrometry ◽  
Ion Mobility ◽  
Collision Energy ◽  
Critical Energy ◽  
Tandem Mass ◽  
Dimeric Complexes ◽  
Separate Source ◽  
Doubly Charged ◽  
Isotopic Profile

Characterizing noncovalent complexes of molecular dimers and higher complexes using tandem mass spectrometry (MS/MS) can be hindered due to spectral overlap in both the MS and the MS/MS. We investigated the structures and dissociation energetics of multimeric β-cyclodextrin (β-CD) complexes alone or with substrates using combinations of ion mobility spectrometry (IMS), MS/MS, and Rice–Ramsperger–Kassel–Marcus (RRKM) unimolecular rate modelling. The doubly charged β-CD dimers ([(β-CD)2 – 2H+]2−) dissociate to two [β-CD – H+]− ions with the same m/z. IMS was used to separate source generated [(β-CD)2 – 2H+]2− from [β-CD – H+]− and the extent of [(β-CD)2 – 2H+]2− dissociation versus collision energy was determined by modelling changes in the ion’s isotopic profile. The RRKM derived critical energy (E0) for dissociation of [(β-CD)2 – H+]− and [(β-CD)2 – 2H+]2− were 1.85 ± 0.11 eV and 1.79 ± 0.09 eV, respectively, corresponding to a slight decrease in complex stability due to increased charge–charge repulsion in the dianion. This approach was extended to include dimeric complexes complexed to 4,4′-(propane-1,3-diyl) dibenzoic acid (PDDA) and ibuprofen (Ibu).

Discrimination of Polymers by Using Their Characteristic Collision Energy in Tandem Mass Spectrometry

2010 ◽  
Vol 82 (22) ◽  
pp. 9350-9356 ◽  
Author(s):  
Andreas Nasioudis ◽  
Antony Memboeuf ◽  
Ron M. A. Heeren ◽  
Donald F. Smith ◽  
Károly Vékey ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Tandem Mass Spectrometry ◽  
Collision Energy ◽  
Tandem Mass
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