Interpretation of CID Mass Spectra:

Course Description:

A two-day "advanced" course. The course will cover generation and interpretation of CID mass spectra generated from positive and negative ions formed from APCI or electrospray. Topics covered will include formation of ions, variables in CID mass spectra under tandem MS (triple quadrupoke, ion trap) and API transport CID, interpretation of both the molecular ion and common molecular adduct ions and the product ion formed from these species after CID. The interpretation of the product ion mass spectra will be broken down into distinctive fragmentation mechanisms to aid the student to develop a systematic approach towards spectral enterpretation. All topics will be re-emphasized with problem sets.

Day 1 Outline:

    Introduction Into CID Mass Spectra

    • General information in an Electrospray mass spectrum
    • What is CID?
    • Activation processes
    • CID reaction/energies

Generating CID Spectra

  • API transport CID
  • Tandem MS
  • Comarison 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
  • Indentifying other adduct ions, dimers and multiply charged species

Interpretation of Positive ion CID Spectra:

  • Variability of CID
  • Stability of ions and neutrals
  • Charge retention vs. charge migration fragmentation
  • Single bond cleavages
  • Cyclization reactions
  • Multiple bond cleavages
  • Rerrangement reactions
  • Charge remote fragmentation
  • Problem sets

Day 2 Outline:

Interpretation of Negative ion Cid Spectra:

  • Stability of negative ions
  • Charge retention vs. charge migration fragmentation
  • Single bond cleavages
  • Cyclization reactions
  • Multiple bond cleavages
  • rerrangement reactions
  • Charge remote fragmentation
  • Problem sets

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 fultiply charged ions (anions and cations)

Techniques and Tools to help with CID Interpretation:

  • Isotopic labeling
  • Hydrogen-deuterium exchange
  • Using MSn
  • CID libraries and their generation
  • Commercial softward tools

Problems:

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

Summary/Concluding Remarks:

  • Problem Set Reviewing Material Covered in Course

Student Profile:

  • This course is designed for the student who has completed an LC/MS short course or who has working knowledge of LC/MS and wants to improve their qualitative interpretation skills for problem solving in LC/MS.

Please direct all questions on this course offering to: