3 / 11
Page 18
Note:
N o v e m b e r 2 1 - 2 2 , 2 0 1 8 | M a d r i d , S p a i n
OF EXCELLENCE
IN INTERNATIONAL
MEETINGS
alliedacademies.comYEARS
Analytical Chemistry 2018
Journal of Chemical Technology and Applications
|
Volume 2
ANALYTICAL CHEMISTRY
International Conference on
Kihyung Song, J Chem Tech App 2018, Volume 2
THEORETICAL MASS SPECTROMETRY
Kihyung Song
National University of Education, Korea
T
heoretical mass spectrometry of ESI-MS/MS can be obtained by classical
trajectory simulations of collision-induced dissociation of protonated cat-
ion or deprotonated anion with Ar atom. This method can record the atomic
coordinates of the system as a function of time by solving classical mechan-
ics with forces calculated on the fly from quantum chemistry program. The
potential between ion and Ar atom is given by analytical form of Buckingham
potential. The coordinates of atoms can be visualized and analyzed to deter-
mine the structures and formation mechanisms of the fragment ions. The
theoretical mass spectrometry of testosterone, boldenone, and estradiol will
be presented with animations.
Kihyung Song has completed his PhD at the age of 31
years from Texas Tech University, USA. Since 1989, he
have been a professor of department of chemistry at Ko-
rea National University of Education. He has published
more than 110 papers in reputed journals including Sci-
ence. His h index is 33.
ksong@knue.ac.krBIOGRAPHY