Difference between revisions of "CHEM-5181"
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* [http://cires.colorado.edu/CHEM-5181/HW/HW_quadrupole_simul.docx HW3.2: Quadrupole MS simulation] | * [http://cires.colorado.edu/CHEM-5181/HW/HW_quadrupole_simul.docx HW3.2: Quadrupole MS simulation] | ||
** [http://www.jce.divched.org/Journal/Issues/1998/Aug/abs1049.html Understanding the Quadrupole Mass Filter through Computer Simulation], Steel and Henchman, <i>J. Chem. Ed.</i> 75:1049-1054, 1998. | ** [http://www.jce.divched.org/Journal/Issues/1998/Aug/abs1049.html Understanding the Quadrupole Mass Filter through Computer Simulation], Steel and Henchman, <i>J. Chem. Ed.</i> 75:1049-1054, 1998. | ||
| + | ** [http://en.wikipedia.org/wiki/Runge-Kutta 4th order Runge-Kutta Integration Method] | ||
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Revision as of 15:51, 5 December 2010
This is the new home for the CU-Boulder Graduate Course CHEM-5181: Mass Spectrometry and Chromatography
- The old web page is located here, and I'll be gradually move things over to this Wiki page, which is much easier to update.
Contents
Course Information
- This course will be offered in Fall 2011, and will NOT be offered in Fall 2012
- Fall 2010 Syllabus
- Registering for the course:
- Every CU student attending the course needs to register, either as (a) for grade; (b) for pass/fail; or (c) for "Audit/No Credit".
- For non-CU students, you can register for the course through the [http://conted.colorado.edu/programs/access/ CU Continuing Education Program ("ACCESS"), again as either (a) for grade; (b) for pass/fail; or (c) for "Audit/No Credit".
- Lectures: Tue & Thu 11:00-12:15, Ekeley W166
- Labs: to be determined, based on the student and MS facility schedules (typically three Tue afternoons 1-3 pm)
- Office hours: immediately after class on Tue & Thu
- Textbooks:
- de Hoffmann & Stroobant. Mass Spectrometry, Principles and Applications, 3rd. Ed. ISBN: 0471485667; Library: QD96.M3 H6413 2007
- McLafferty & Turecek Interpretation of Mass Spectra, 4th Ed., ISBN: 0935702253; Library: QC454.M22 1993;
Lectures
Introduction, Review, Igor
- Introduction and Review of Fundamentals
- Regression Demo Program (PC Download)
- Non-Parametric Regression Demo (Web)
- Least Squares Polynomial Approximation Demo (Web)
- Central Limit Theorem Demo (Web)
- Fourier Synthesis Demo (Web)
- Fourier Analysis Demo (Web)
Mass Spectrometers
- TOFMS
- Mass Spec. Oscilloscope Simulator (PC Download)
- Quadrupoles
- 3D Ion Traps
Ionization Sources
- Introduction and Electron Ionization
- Ion Optics Simulator
- Prop: EI ionizer, filaments, magnets
- Electrospray and its Ion Chemistry (from Invited Lecturer Dr. Shuji Kato)
- Prop: ESI Source
- Chemical Ionization
- Invited Lecture: the Flowing Afterglow by Prof. Chuck dePuy
- Ionization IV: Bombardment, MALDI and Elemental
- ICP-MS Facility at CU-Boulder
- Prop: MALDI plate
Detectors and Data Acquisition
MS Interpretation
- Introduction to MS Interpretation
- Using Elemental Composition in Interpretation
- IsoPro Isotopic Distribution (PC Download)
- ChemCalc Isotopic Distribution (Online)
- Periodic Table of the Isotopes
Homeworks
- Reference material for homeworks:
- HW2: TOFMS
- TOFMS spectrum for Problem #1 (Igor Text File, save and double-click to open in Igor)
- HW 3.1: mass spec resolution and accuracy
- Quadrupole MS for donwload (Igor PXP format)
- Orbitrap MS for download (Excel format)
- HW3.2: Quadrupole MS simulation
- Understanding the Quadrupole Mass Filter through Computer Simulation, Steel and Henchman, J. Chem. Ed. 75:1049-1054, 1998.
- 4th order Runge-Kutta Integration Method
- HW4.1: Ion Options Simulation Part 1
- HW4.2: Ion Options Simulation Part 2
- HW4.3: EI Source
- HW4.4: ESI charge states
Labs
- Lab 1: MALDI-TOFMS:
- Lab 2: Electrospray MS:
- Lab 3: GC-MS of mixtures
