Ontology highlight
ABSTRACT:
SUBMITTER: D'Atri V
PROVIDER: S-EPMC4440389 | biostudies-literature | 2015 May
REPOSITORIES: biostudies-literature
D'Atri Valentina V Porrini Massimiliano M Rosu Frédéric F Gabelica Valérie V
Journal of mass spectrometry : JMS 20150501 5
Ion mobility spectrometry experiments allow the mass spectrometrist to determine an ion's rotationally averaged collision cross section Ω(EXP). Molecular modelling is used to visualize what ion three-dimensional structure(s) is(are) compatible with the experiment. The collision cross sections of candidate molecular models have to be calculated, and the resulting Ω(CALC) are compared with the experimental data. Researchers who want to apply this strategy to a new type of molecule face many questi ...[more]