Northeast Regional Chromatography Discussion Group

"Interpretation of CID Spectra from LC/MS/MS - Developing a Systematic Approach for Spectral Interpretation"

Presented by Dr. Robert Voyksner from

Tuesday May 10th, 2005

5257 West Henrietta Road
W. Henrietta, NY

Course Outline

Introduction:

General information in an Electrospray mass spectrum
What is CID?
CID reactions / energies

Generating CID Spectra:
API transport CID
Tandem MS
Comparison of trap, triple and high-energy CID spectra.
Interpretation of API Mass Spectra:
Identifying the molecular ion
Using isotope abundances to gain information
Nitrogen rule
Identifying other adduct ions, dimers and multiply charged species

Interpretation of CID Spectra:
Variability of CID
Stability of ions and neutrals
Charge retention vs. charge migration fragmentation
Single bond cleavages
Cyclization reactions
Multiple bond cleavages
Rearrangement reactions
Charge remote fragmentation
Problem sets reviewing all mechanisms discussed
Interpretation of CID mass spectra generated from ions other than [M+H]+ or [M-H]-
Interpretation of CID mass spectra from Alkali metal cations
Interpretation of CID mass spectra from Halogen anions
Interpretation of CID mass spectra from multiply charged ions (anions and cations)

Problems:
Real world problems (in the areas of pharmaceuticals, biochemical, clinical, industrial, forensic and
environmental) that aid in the development of the students systematic approach to interpretation of CID mass spectra

Techniques and Tools to help with CID Interpretation:
Isotopic labeling
Hydrogen-deuterium exchange
Using MSn
CID Libraries and their generation
Commercial software tools

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