Difference between revisions of "CHEM-5181"
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* Textbooks (reading will be assigned from these): | * Textbooks (reading will be assigned from these): | ||
− | ** de Hoffmann & Stroobant. <i>Mass Spectrometry, Principles and Applications</i>, 3rd. Ed. ISBN: 0471485667; Library: QD96.M3 H6413 2007 | + | ** Required: de Hoffmann & Stroobant. <i>Mass Spectrometry, Principles and Applications</i>, 3rd. Ed. ISBN: 0471485667; Library: QD96.M3 H6413 2007 |
− | ** McLafferty & Turecek <i>Interpretation of Mass Spectra</i>, 4th Ed., ISBN: 0935702253; Library: QC454.M22 1993 | + | ** Required: McLafferty & Turecek <i>Interpretation of Mass Spectra</i>, 4th Ed., ISBN: 0935702253; Library: QC454.M22 1993 |
** Suggested: [http://app.knovel.com/web/toc.v/cid:kpBSAE0006/viewerType:toc/root_slug:building-scientific-apparatus/url_slug:building-scientific-apparatus/? Building Scientific Apparatus from Moore et al.] [http://0-library.books24x7.com.libraries.colorado.edu/toc.aspx?bookid=42919 Alt. Link] | ** Suggested: [http://app.knovel.com/web/toc.v/cid:kpBSAE0006/viewerType:toc/root_slug:building-scientific-apparatus/url_slug:building-scientific-apparatus/? Building Scientific Apparatus from Moore et al.] [http://0-library.books24x7.com.libraries.colorado.edu/toc.aspx?bookid=42919 Alt. Link] | ||
Revision as of 14:06, 8 October 2013
- This is the new home for the CU-Boulder Graduate Course CHEM-5181: Mass Spectrometry, Chromatography, and Research Methods (note new name in Fall 2013). A shortcut to this page is http://tinyurl.com/CHEM-5181.
- Schedule: This course is being offered in Fall 2013 and will be offered in Fall 2014 (co-taught between Paul Ziemann and Jose-Luis Jimenez). It will NOT be offered in Fall 2015 as Jose will be on sabbatical. It WILL very likely be offered in Fall 2016.
Contents
- 1 Course Information
- 2 FAQs about CHEM-5181
- 3 Introduction and Tools
- 4 Mass Analyzers
- 5 MS Interpretation
- 6 Ionization Sources & Detectors
- 7 Data Acquisition using Labview
- 8 MS Applications
- 9 Chromatography and Analytical Separations
- 10 Student Presentations
- 11 Labs
- 12 Reference Materials
- 13 Award for the Best Performance in CHEM-5181
- 14 Other MS and Chrom. Resources
- 15 Journals with Substantial Mass Spectrometry and Analytical Separations Content
Course Information
- Schedule:
- 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, or TBD after start of the course if that time doesn't work.
- Textbooks (reading will be assigned from these):
- Required: de Hoffmann & Stroobant. Mass Spectrometry, Principles and Applications, 3rd. Ed. ISBN: 0471485667; Library: QD96.M3 H6413 2007
- Required: McLafferty & Turecek Interpretation of Mass Spectra, 4th Ed., ISBN: 0935702253; Library: QC454.M22 1993
- Suggested: Building Scientific Apparatus from Moore et al. Alt. Link
FAQs about CHEM-5181
- Can I audit the class?
- Answer: Yes, but you need to register for it as "Audit / No Credit", either as a regular CU student or through the ACCESS Program. Auditors typically attend lectures but do not do the labs, homeworks, or exams, unless they want to.
- But I don't want to register at all. Can you make an exception for me to still audit the class?
- Answer: This is not possible for people in industry. For CU postdocs we can sometimes make an exception, if there are at least 8 students registered for the class. Otherwise the Dean may cancel the class due to being too small, and in those cases we need all auditors to register as "Audit / No Credit".
- I work in industry and use MS and chromatography in my work, can I take the class?
- Answer: Yes, registering through the ACCESS Program. You will have the option to take the class as "for grade", "Pass/Fail", and "Audit / No Credit." In making the choice, some things to think about are: (a) you need to have the relevant background or be willing to work to gain the background, especially if you want to take the class for credit. (b) This is a class for 1st year graduate students in Anaytical & Environmental Chemistry, and it takes quite a bit of work to take the class for credit. If you don't have much time for the class due to your work responsibilities, you should register as "Audit / No Credit".
- I am an undergraduate at CU, can I take the class?
- Answer: Yes, if you have the prerequisites. Contact Jose in case of doubt. However you need to take into account that this class takes more work than a typical undergraduate course.
- Do I need a laptop for this class?
- Yes, as we will do a lot of work using Igor and Labview. A PC is much preferable as Labview does not work well on Macs. If you already have a Mac, we strongly recommend that you install a Windows partition using e.g. Bootcamp. You will find it useful well beyond the class, as much research-related software does not run on Macs.
- Do I need a background in computer programming or on Igor to take the class?
- Answer: We cover those topics but we assume that people have no strong background when they start the class. However we progress quickly, and any prior work that you can do in this area will be very useful in the course. If you do NOT have a background on computer programming (i.e. you don't know how to use FOR loops, DO-WHILE loops, IF-ELSE statements etc.), we strongly recommend downloading a demo version of Igor and going through the Getting Started section of the manual and the Video tutorials before the class starts, as well as doing some of the first homeworks from previous years.
- Could I use a programming language different than Igor for this class?
- Answer: No. It is important to be able to project the screen and discuss code from all students in class, during office hours and HW help sessions, in Piazza etc. That is facilitated by using a single programming language, and would be very confusing if we were to use multiple languages, especially since typically 2/3 of the students in the class have very limited to no previous programming experience. The choice of Igor instead of other equally capable languages such as IDL or Matlab is due to the fact that most groups in our Analytical Chemistry program, as well as many collaborators and future employers, use Igor heavily and they do not use the alternatives. Thus research is made more efficient because one can ask Igor questions from dozens of people in our program. Our groups also use large data analysis packages that are available only in Igor.
Introduction and Tools
Introduction & Review of Fundamentals
Lecture Notes: Organization, Introduction & Review of Fundamentals
- Organizational items
- Reading on math & statistics (required unless marked otherwise):
- For all the readings that include a simulation, you are required to use the simulation for a range of parameters.
- Basic Statistics: Statistics Demo / Central Limit Theorem
- Suggested: Probability & Statistics (KhA)
- Linear Regression: Regression / Non-Parametric Regression / Least Squares Polynomial Approximation / Numerical Recipes (pages 656-662 of chapter 15) / Intro to Orthogonal Distance Regression (for 10-Sep) / Orthogonal Distance Regression in Igor Manual (pages III-208 to III-212) (for 10-Sep)
- Fourier Analysis: Fourier Analysis / Fourier Synthesis /
- Differential Equations:
- DEs (W)
- Suggested: DE Videos (KhA)
- Suggested: DE Videos (MIT OCW)
- Reading on basic physical chemistry, physics, fluids (required unless marked otherwise):
- Kinetic Theory and Gas Properties: Kinetic Theory of Gases / Mean Free Path / Ideal Gas Law, Diffusion / (Suggested: MFP (W))
- Reynolds Number & laminar turbulent / flow (for 5-Sep): video demo of the transition / Laminar & Turbulent flows (up to page 6) / Reynolds number (W) (until "Flow in a wide duct")
- Electric and Magnetic Fields & Forces:
Computer Programming & Igor Pro
- Basic info:
- Igor Pro graphing and programming software
- Limitations of Igor Coursework License that we will use in the class
- Reading (required unless marked otherwise):
- Igor: "Getting Started" section of the manual
- Igor Programming Conventions (v3, 24-Sep-2013)
- Igor Quick Reference Page / Video Tutorials
- Suggested: Intro to Igor Pro (2011 lecture slides)
- Parts of Igor that we will use and not. We have excluded some topics, either because they are too advanced, tangential to what we need, or unnecessary / confusing. Often things can be done in multiple ways, and in that case we are trying for the students to only use the simplest / least confusing / most useful method and avoid the others.
- Suggested (very useful if no background): Computer Programming (KhA)
- Reading from Igor Users' Guide I & II (when releant for a corresponding HWs) (required unless marked otherwise):
- Getting Help
- The Command Window
- Suggested: Experiments, Files, and Folders
- Waves
- Suggested: Data Folders
- Tables
- Graphs
- Contour Plots
- Image Plots
- Suggested: Notebooks
- Suggested: Annotations
- Required reading from Igor Programming Manual (along with corresponding HWs) (required unless marked otherwise):
Mass Analyzers
Mass Analyzers I: Electric & Magnetic Sector, Resolution & Accuracy, Ion Optics
- Lecture Notes: Intro to MS, Sector MS, Resolution/Accuracy, Ion Optics
- Resources we may use in class: MS Oscilloscope Simulator / Magnetic Sector MS Simulator / Ion Optics Simulator
- Required Reading:
- Introduction Chapter & Sect. 2.5.1 & 2.5.2 of de Hoffman & Stroobant (for 12-Sep)
- Euler Method (for 12-Sep, with HW)
- Euler Method Video
- Intro to Chapter 2 (p. 85-90), section 2.5.3 (p. 145-146), and Appendix 1.1 & 1.2 (p. 437-438) of de Hoffman & Stroobant (for 19-Sep)
- Debating Resolution and Mass Accuracy in Mass Spectrometry (for 19-Sep)
- NR Ch 9: 9.0 Intro and 9.1 Bracketing & Bisection (p.347-354) (for 24-Sep)
- Bisection method (Video) & Its advantages & disadvantages (Video) (for 24-Sep)
- The Early History of MS
- The Commercialization of MS
- Suggested Reading:
- Critical Mass: a History of MS
- ASMS Posters on the History of MS (for 19-Sep)
- More details on the definitions (Not everyone uses the same definitions, and there is an active debate on this topic. Thus you should always be clear about which definition YOU are using). (for 19-Sep)
- 2011 and earlier materials, for reference
Mass Analyzers II: Time-of-Flight MS
- Lecture Notes: Time-of-Flight MS
- Reading for Tue 1-Oct.
- Required: Sect. 2.4 of de Hoffman & Stroobant on TOFMS
- Required: Agilent videos: ESI TOFMS & ESI Q-TOFMS w/ MW/MS
- Suggested: Tutorial on TOFMS (from RM Jordan, manufacturer of custom MS)
- Suggested: TOFMS in Wikipedia
- Suggested: ASMS poster on the Bendix TOFMS (first commercial TOFMS)
- Reading Quiz (needs to be completed at least 90 min before the start of class)
- Reading for Thu 3-Oct.
- Required: Igor Manual on Solving Ordinary-Differential Equations (ODEs) (p. III-270 to III-283)
- Required: Runge-Kutta Method: Part I & Part II
- Suggested: Numerical Recipes Chapter 16
- Suggested: Wikipedia on Runge-Kutta
- Reading Quiz (needs to be completed at least 90 min before the start of class)
- Reading for Thu 10-Oct.
- Required: Histograms in Igor (p. III-128 to III-136)
Mass Analyzers III: Quadrupole MS
- Lecture Notes: Quadrupoles
- Prop: Quadrupole
- Reading:
- Required: Sect. 2.1 of de Hoffmann & Stroobant
- Required: Understanding the Quadrupole Mass Filter through Computer Simulation, Steel and Henchman, J. Chem. Ed. 75:1049-1054, 1998.
- Required: Agilent GC/MS Triple Quad Video
Mass Analyzers IV: Ion Traps
- Lecture Notes: 3d & 2d Quadrupole Ion Traps, FTICR, Orbitrap
- Reading:
- Required Sect. 2.2, 2.3, 2.6 & 2.7 of de Hoffmann and Stroobant 2007
- Required: Ion trap movies: geometry + buffer gas, trapping, scanning, ESI-IT overview, MS/MS elimination, capture, and collision-induced dissociation
- Note: IT movies only work on PCs, find a PC to watch them if you have a Mac
- Required: Homemade ion trap with two spons and a wire!
- Required: Orbitrap animation
- Required: animation of auxiliary components to Orbitrap
- Suggested if you are curious: Interview of Makarov (Orbitrap inventor, very commercial)
- Required: Introductory animation of FTICR
MS Interpretation
- Reading for Tue 8-Oct
- Required: Ch. 1 and Sect. 2.1-2.4 of McLafferty & Turecek
- Required: NIST Chemistry WebBook
- Suggested: Example of ions in high-resolution MS of Ambient Aerosols (Fig. S-18)
- Suggested: MS Tools from NIST
- Prop: Offline NIST database
- Using Elemental Composition in Interpretation
- Required Reading: McLafferty and Turecek 1993, Chapter 2
- IsoPro Isotopic Distribution (PC Download)
- ChemCalc Isotopic Distribution (Online)
- Periodic Table of the Isotopes
- Interpretation III: The Molecular Ion
- Required Reading: McLafferty and Turecek 1993, Chapter 3
- Interpretation IV: Fragmentation Mechanisms
- Required Reading: McLafferty and Turecek 1993, Chapters 4, and skim 7 & 8
- Interpretation V: Postulation of Molecular Structures
- Required Reading: McLafferty and Turecek 1993, Chapter 5
- Homeworks on interpretation
Ionization Sources & Detectors
Ion Sources
- Introduction and Electron Ionization
- Required Reading: de Hoffmann and Stroobant 2007, Section 1.1, 1.17 (need more)
- Prop: EI ionizer, filaments, magnets
- Chemical Ionization
- Required Reading: de Hoffmann and Stroobant 2007, Section 1.2, 1.10, 1.12, 1.16, 1.17
- PTRMS Commercial Instrument
- SYFT Commercial Instrument
- Aerodyne CIMS Commercial Instrument
- Electrospray and its Ion Chemistry (from Invited Lecturer Dr. Shuji Kato)
- Required Reading: de Hoffmann and Stroobant 2007, Section 1.11
- Prop: ESI Source
- Ionization IV: Bombardment, MALDI and Elemental
- Required Reading:
- de Hoffmann and Stroobant 2007, Section 1.4, 1.7, 1.8, 1.9, 1.14, 1.15
- A beginner's guide to ICPMS
- The 30-minute guide to ICPMS
- Required Reading:
- ICP-MS Facility at CU-Boulder
- Prop: MALDI plate
- Homeworks on Ionization:
MS Detectors, Data Acquisition, Vacuum
- Reading:
- Required: de Hoffmann and Stroobant 2007, Chapter 3
- Required: Simulation of an Electron Multiplier
- Required: Simulation of an Analog-to-Digital Converter
- Required: Manual and specifications of a typical analog-to-digital converter
- Required: Igor Manual on FFT (p. III-237 to III-241) (Rest of the chapter is 'suggested')
- Suggested: Numerical Recipes Chapter 12.0-12.2 on FFT
- Props: EMs, MCP, EM in vacuum mount
- Vacuum Technology
- Props: turbo pump, diaphragm pump
Data Acquisition using Labview
- Reading:
- Required: Labview Basics (Sections 1 to 10)
- Required: Self-Paced Training (sections TBD).
- You will need the license number of the CU Academic License of Labview, which will be provided via Piazza.
MS Applications
Specific Implementations or Applications of MS
- Mass Spectrometry of Peptides and Proteins by Prof. W. Old (2011)
- Required reading: Paizs and Suhai: Fragmentation Pathways of Protonated Peptides, Mass Spec. Rev., 24:508-548, 2005.
- Suggested reading (more general): Wysocki, Resing et al., 2005: Mass spectrometry of peptides and proteins
- The Flowing Afterglow and its application to Astrochemistry by Prof. Chuck dePuy (2010)
- Autoresonant MS (ART-MS) (Invited Lecture by Jeff Rathbone, Brooks Inc., Fall 2012)
- IJMS paper on ART-MS
- Web page on ART-MS product with additional information
- Aerosol Mass Spectrometry by J.L. Jimenez (2010)
Chromatography and Analytical Separations
- Gas Chromatography
- Prop: GC column
Student Presentations
Reference material for presentations
- Template for Journal Skims (.doc)
- Tips for Student Presentations
- Required reading: Advice to Beginning Physics Speakers, by James C. Garland, Physics Today, July 1991.
Labs
Lab 1: MALDI-TOFMS
- Background: Instrument Description I & Instrument Description II
- Pre-Lab
- Lab: Procedure & Instrument Instructions
Lab 2: Electrospray MS
- Background
- Synapt G2 Instrument Info (used in 2011)
- Pulsar Instrument Description & Instructions (used in 2010)* Pre-Lab
- Lab: Procedure & LS/MS Test Mixture.pdf
Lab 3: GC-MS of mixtures
- Background:
- Pre-Lab
- Lab: Procedure & GC-MS Operation Instructions
Student Choice Projects
Reference Materials
- Suggestions Encouraged. Please send links to jose.jimenez at colorado.edu
- All PDFs are linked to the journal websites, so they need to be access while on the CU campus or when using VPN into CU's network
Introduction to Mass Spectrometry
- (General, Suggested ASMS Tutorial: What is Mass Spectrometry?
- (General, Reference) MS Terms and Definitions Project
- (General, Reference) "Frontiers in Mass Spectrometry" ,Special issue Chem. Rev. 101(2), 2001.
- (General, Reference) The 'Thomson'. A Suggested Unit for Mass Spectroscopists. R. G. Cooks RG and A. L. Rockwood, Rap. Comm. Mass Spec. 5, 93, 1991. (pdf)
- (History, Reference) Critical Mass: A History of MS
- (Ion Optics, Advanced) Ion Optics in Mass Spectrometry. H. Wollnik, J. Mass. Spec., 34: 991-1006, 1999.
- (Vacuum, Reference) Vacuum Technology, Davis, Moore, and Coplan
- (Kinetics, Animation) Simple gas kinetic theory simulator
- (Various Topics, Advanced) Selected Award/Plenary/Tutorial Lectures from the Annual Conferences of the American Society of Mass Spectrometry
- (General, Reference, Hard Copy at Libraries): Encyclopedia of Mass Spectrometry
Ionization Methods
- (General, Reference) Methods of Ion Generation M. L. Vestal, Chem. Rev., 101(2), 361, 2001.
- (General, Reference) The Emergence of Mass Spectrometry in Biochemical Research G. Siuzdak, Proc. Natl. Acad. Sci. USA, 91(24), 11290, 1994.
- (EI, Advanced) Fundamentals of Electron Interactions with Plasma Processing Gases, by L.G. Christophorou, J.K. Olthoff, Springer, 2004.
- (CI, Advanced) Chemical Ionization Mass Spectrometry. I. General Introduction. M.S.B. Munson and F.H. Field, J. Am. Chem. Soc., 2621, 1966.
- (ESI, Advanced) Practical implications of some recent studies in electrospray ionization fundamentals. Cech and Enke, Mass Spec. Rev., 20: 362-387, 2002.
- (ESI, Advanced) A brief overview of the present status of the mechanisms involved in electrospray mass spectrometry P. Kebarle, J.Mass Spec.,804-817, 2000.
- (ESI, Advanced) Electrospray: From ions in solution to ions in the gas phase, what we know now. P. Kebarle and U.H. Verkerk, Mass Spec. Rev. doi: 10.1002/mas.20247, 2009.
- (ESI, Advanced) Some tenets pertaining to ESI-MS R. B. Cole, J. Mass Spec.,763-772,2000.
- (ESI, Advanced) Analytical Properties of the Nanoelectrospray Ion Source M. Wilm and M. Mann, A. Chem., 1-8, 1996.
- (MALDI & ESI, Reference) Mass spectrometry and nuclear magnetic resonance applied to biological macromolecules. Advanced Information on the Nobel Prize in Chemistry 2002.
- (MALDI, ESI, Suggested) MALDI & ESI lecture from Prof. Cotter
- (MADLI, Suggested) MALDI Tutorial from Vanderbilt
- (MALDI, Advanced) Ion formation in MALDI mass spectrometry. Zenobi and Knochenmuss, Mass. Spec. Rev., 17: 337-366, 1999.
- (MALDI, Advanced) Atmospheric Pressure Matrix-Assisted Laser Desorption/Ionization Mass Spectrometry V. V. Laiko, M. A. Baldwin, and A. L. Burlingame, A. Chem.,652-657, 2000.
- (SIMS, Advanced) SIMS Tutorial On Evans Analytical Group Website
- (DESI, Advanced) Ambient mass spectrometry using desorption electrospray ionization (DESI): instrumentation, mechanisms and applications in forensics, chemistry, and biology Z. Takats, J. M. Wiseman, and R. G. Cooks, J. Mass Spec.,1261-1275, 2005.
- (DART, Advanced) Versatile New Ion Source for the Analysis of Materials in Open Air under Ambient Conditions R. B. Cody, J. A. Laramee, H. D. Durst, A. Chem., 2297-2303, 2005.
- (Atm. Pres. Ion Sources, Advanced) Atmospheric Pressure Ion Sources. Mass Spec. Rev., doi: 10.1002/mas.20246, 2009.
- (Elemental, Advanced) Surface Ionization Source Using Multiple Elements M. G. Inghram and W. A. Chupka Rev. Sci. Inst.,24(7), 518, 1953.
- (Elemental, Advanced) Recent Developments in Thermal Ionization Mass Spectrometric Techniques for Isotope Analyis K.G. Heumann et al, Analyst, 1291, 1995.
- (Elemental, Advanced) Tutorial. Glow discharge mass spectrometry: Trace element determinations in solid samples. King et al., J. Mass. Spec., 30: 1061-1075 (pdf)
- (Elemental, Advanced) Tutorial. Inductively coupled plasma mass spectrometry (ICP MS): a versatile tool. A. Ammann, J. Mass. Spec., 42: 419-427, 2007.
Mass Analyzers
- (General, Suggested) Instrumentation lecture from Prof. Cotter
- (General, Reference) Mass Spectrometry (Review) A.L. Burlingame, R. K. Boyd, and S. J. Gaskell, A. Chem,1998,68(12),647R-716R
- (General, Advanced) Debating Resolution and Mass Accuracy. M. P. Balogh, LC-GC Europe, 17(3), 152–159 (2004)
- (General, Reference) Mass Analysis at the Advent of the 21st Century S. A. McLuckey and J. M. Wells, Chem. Rev. 101(2), 571, 2001.
- (Resolution, Advanced) Scaling MS Plateaus with High-Resolution FT-ICRMS. A. G. Marshall, C. L. Henderickson, and S. D.-H. Shi A. Chem, 74(9), 252A (2002)
- (TOF, Suggested) Agilent's Tutorial on Time-of-Flight Mass Spectrometry
- (TOF, Advanced) Tutorial. Principles and instrumentation in time-of-flight mass spectrometry. Physical and instrumental concepts. M. Guilhaus, J. Mass. Spec., Volume 30: 1519-1532, 1995. (pdf)
- (TOF, Advanced) Perfect Timing: Time-of-flight Mass Spectrometry M. Guilaus, RCMS, 1997, 951-962
- (TOF, Advanced) Time-of-Flight Mass Spectrometry: State of the Art in Chemical Analysis and Molecular Science C. Weickhardt, F. Moritz, and J. Grotemeyer. MS Review. 1996, 139-162.
- (TOF, Advanced)Matrix-Assisted Laser Desorption/Ionization Mass Spectrometry. Instrumentation and Applications D. C. Muddiman, R. Bakhtiar, S. A. Hofstadler, and R. D. Smith J. Chem. Ed. 74, 1288, 1997.
- (TOF, Advanced) Orthogonal acceleration time-of-flight mass spectrometry. Guilhaus et al., Mass Spec. Rev., 19: 65-107, 2000.
- (TOF, Advanced) Time-of-Flight Mass Spectrometer with Improved Resolution W. C. Wiley and I. H. McLaren, Rev. Sci. Instrum. 1955, 26(12), 1150-1157.
- (TOF, Advanced) Time-of-flight mass spectrometry (concepts, achievements, and prospects) B. A. Mamyrin, Int J Mass Spec, 2001, 251-266
- (TOF, Advanced) Advanced Reading: On the initial velocity of ions generated by matrix-assisted laser desorption ionization and its effect on the calibration of delayed extraction time-of-flight mass spectra P. Juhasz, M. L. Vestal, and S. A. Martin, J. Am. Soc. Mass Spec 8(3),209, 1997.
- (TOF, Animation) TOF-MS From Agilent
- (Quad, Required) Understanding the Quadrupole Mass Filter through Computer Simulation, Steel and Henchman, J. Chem. Ed. 75:1049-1054, 1998.
- (Quad, Suggested) Quadrupole Mass Spectrometers: An Intuitive Look at the Math. Leary and Schmidt, J. Chem. Ed. 73: 1142-1144, 1996.
- (Quad, Suggested) Linear Quadrupoles in Mass Spectrometry, D.J. Douglas, Mass Spec. Rev., 28: 937-960, 2009.
- (3D Ion Trap, Suggested) An Introduction to Quadrupole Ion Trap Mass Spectrometry, R. Mach, J. Mass Spec., 32: 351-369, 1997.
- (3D Ion Trap, Animations) Courtesy of Thermo Finnigan
- (FTICR, Suggested) Baseline mass resolution of peptide isobars: A record for molecular mass resolution, He F, Hendrickson CL, Marshall AG, Anal. Chem. 73 (3): 647-650, 2001.
- (FTICR, Suggested) Fourier Transform Mass Spectrometry (Tutorial) I. J. Amster, JMS, 1996, 1325-1337.
- (FTICR, Advanced) Fourier transform ion cyclotron resonance mass spectrometry: A primer. A.G. Marshall et al., Mass Spec. Rev. 17: 1-35, 1998.
- (Orbitrap, Advanced) The Orbitrap: a new mass spectrometer (Perspective). R.G. Cooks et al., J Mass Spec. 40: 430-443, 2005.
- (Q-TOF, Advanced) An introduction to quadrupole–time-of-flight mass spectrometry I. V. Chernushevich, A. V. Loboda, and B. A. Thomson, JMS, 2001, 849-865
- (MS/MS, Suggested) Lecture on MS/MS from Prof. Bob Cotter
- (MCP, Advanced) Microchannel Plate Detectors J. L. Wiza, Nuc Inst Meth, 1979, 587-601.
Applications: Aerosols
- (Aerosol, Suggested)Tutorial: Sampling and analysis of individual particles by aerosol mass spectrometry., M.V. Johnston, J. Mass Spectrom. 35, 585–595 (2000).
- (Aerosol, Suggested) Chemical and Microphysical Characterization of Ambient Aerosols with the Aerodyne Aerosol Mass Spectrometer. Canagaratna et al., Mass Spectrometry Reviews, in press, April 2006. PDF of accepted version and Figures
- (Aerosol, Advanced) Special Issue of AS&T on Aerosol Mass Spectrometry
- (Aerosol, Link to references) Publications using the Aerodyne Aerosol Mass Spectrometer (AMS)
- (Aerosol, Link to references) Aerosol Mass Spectrometry Web Page
- (Aerosol, Link to references) A List of Publications in Single Particle Mass Spectrometry, maintained by Prof. Tony Wexler.
- (Aerosol, Link to references) Another List of Publications in Single Particle Mass Spectrometry, this one maintained by Prof. Murray Johnston.
Applications: Other
- (IRMS, suggested) Isotope-Ratio MS
MS Interpretation
- (Online Tutorial) Intro to Interpretation, with examples and interactive quizzes. University of Arizona
- (Online Database) NIST Chemistry Webbook
- (Online Tool) Online Periodic Table (with isotope info)
- (Online Tool) MS Tools from SIS
- (Online Tool) Exact Mass and Isotope Calculator
- (Online Tool) Elemental Composition Calculator
- (Isotopes, Suggested) Using Punnett Squares To Facilitate Students' Understanding of Isotopic Distributions in Mass Spectrometry, L.T. Sein, J. Chem. Ed., 83: 228, 2006.
- (Nitrogen Rule, Suggested) Molecular formulas of organic compounds: the nitrogen rule and degree of unsaturation. V. Pellegrin, J. Chem. Ed., 60(8): 626, 1983.
- (Practice Problems) Additional interpretation problems from Lee book and their solutions
- (Reading, Advanced) Gaseous Molecular Ions: An Introduction to Elementary Processes Induced by Ionization, by E. Illenberger, J. Momigny, Springer, 1992.
- (CID, Suggested) The Interpretation of Collision Induced Dissociation Tandem Mass Spectra of Peptides, I.A. Papayannopoulos, Mass Spec. Reviews 14: 49-73, 1995.
- (Proteomics, Suggested) Mass Spectrometry in Proteomics R. Aerbersold and D.R. Goodlett, Chem. Rev. 101(2), 269, 2001.
- (Proteomics, Database) MASCOT Protein MS Database
Chromatography: General
- Simple Chromatography Simulator
- (General, Required) Introduction to Chromatography, Braithwaite and Smith
- (General, Required) Theory of Chromatography, Braithwaite and Smith
- (General, Reference) Equations for Calculation of Chromatographic Figures of Merit for Ideal and Skewed Peaks, J.P. Foley and J.G. Dorsey, Anal. Chem., 55: 730-737, 1983.
- (General, Reference) Nomenclature for Chromatography (IUPAC Recommendations), L.S. Etre, Pure & Appl. Chem., 65(4): 819-872, 1993.
- (General, Reference) The Birth of Partition Chromatography, L.S. Ettre, LC-GC North America, 19(5), 2001.
- (General, Reference) M.S. Tswett and the Birth of Chromatography, L.S. Ettre, LC-GC North America, 2003.
- (General, Reference) The Centenary of "Chromatography", L.S. Ettre, LC-GC North America, 2006.
Electric Field Driven Separations
- (CE, Suggested) Lecture on HPLC and CE from Prof. Bob Cotter
- (CE, Advanced) Electrokinetic Flow and Dispersion in Capillary Electrophoresis, S. Ghosal, Ann. Rev. Fluid Mech., 38: 309-338, 2006.
- (CE, Reference) 2006 Analytical Chemistry Review on Bioanalytical Applications of Capillary Electrophoresis, James Kraly, Md. Abul Fazal, Regine M. Schoenherr, Ryan Bonn, Melissa M. Harwood, Emily Turner, Megan Jones, and Norman J. Dovichi, Anal. Chem., 78(12) pp 4097 - 4110, 2006.
LC, GC, and IC
- (GC, Suggested) More Speed, Better Precision, Higher Sensitivity: Why Buy a New Gas Chromatograph?, Engewald and Ettre, LC-GC North America, 2004.
- (GC, Suggested) 2006 Analytical Chemistry Review on Gas Chromatography, Gary A. Eiceman, Jorge Gardea-Torresdey, Frank Dorman, Ed Overton, A. Bhushan, and H. P. Dharmasena, Anal. Chem., 78(12) pp 3985 - 3996, 2006.
- (GC, Reference) Fifty Years of GC Instrumentation, L.S. Ettre, LC-GC North America, 2005.
- (GC, Suggested) Evolution of Capillary Columns for Gas Chromatography, L.S. Ettre, LC-GC North America, 10(1), 2001.
- (LC, Suggested) Lecture on HPLC and CE from Prof. Bob Cotter
- (LC, Reference) Csaba Horvath and the Development of the First Modern High Performance Liquid Chromatograph, L.S. Ettre, LC-GC North America, 2005.
- (LC, Reference) Jim Waters: The Development of GPC and the First HPLC Instruments, L.S. Ettre, LC-GC North America, 2005.
- (IC, Reference) 2006 Analytical Chemistry Review on Planar Chromatography, Joseph Sherma, Anal. Chem., 78(12) pp 3841 - 3852, 2006.
- (Detector, Reference) The Invention, Development, and Triumph of the Flame Ionization Detector, L.S. Ettre, LC-GC North America, 30(1), 2002.
GCxGC
- (GCxGC, Advanced) Using Comprehensive Two-Dimensional Gas Chromatography to Study the Atmosphere, J.F. Hamilton, Journal of Chromatographic Science, 48, 274-282, 2010.
- (GCxGC, Suggested) Comprehensive two-dimensional gas chromatography: a powerful and versatile analytical tool, J. Dalluge, J. Beens, and U.A.T. Brinkman, Journal of Chromatography A, 1000, 69-108, 2003.
- (GCxGC, Suggested) GC x GC, J.M.D. Dimandja, Anal. Chem., 76, 167A - 174A, 2004.
- (GCxGC, Advanced) Recent advances in comprehensive two-dimensional gas chromatography (GC x GC), T. Gorecki, O. Panic, and N. Oldridge, Journal of Liquid Chromatography & Related Technologies, 29(7-8), 1077-1104, 2006.
Award for the Best Performance in CHEM-5181
- Fall 2011: Rui Li (PhD Atmospheric Sciences, de Gouw group)
- Fall 2010: Brett Palm (PhD Chemistry, Jimenez group)
- Fall 2009: Eleanor Waxman (PhD Chemistry, Volkamer group)
- Fall 2007: Sean Coburn (PhD Chemistry, Volkamer group)
- Fall 2006: Jesse Marcum (PhD Chemistry, Weber group)
- Fall 2004: Steve Dutton (PhD Mechanical Engineering, Hannigan group)
- Fall 2003: Melinda Beaver (PhD Chemistry, Tolbert group)
- Fall 2002: Aaron Appel (PhD Chemistry, Rakowski-Dubois group)
Other MS and Chrom. Resources
Mass Spectrometry Societies
- American Society for Mass Spectrometry (ASMS)
- European Society for Mass Spectrometry (ESMS)
- International Mass Spectrometry Society (IMSS)
- Mass Spectrometry Society of Japan (MSSJ)
MS & Chrom. Courses at other Universities
- MS and Chromatography in Biomedical Research by Prof. Bob Cotter, John Hopkins Univ.
- Mass Spectrometry by Prof. Dwight Matthews, Univ. of Vermont
- Chromatography and Separations Course by Prof. Cramer, RPI
- MS Tutorial by by Richard Caprioli and Marc Sutter, Vanderbilt Univ.
Useful MS Links
- NIST Chemistry Webbook (includes electron impact ionization positive mass spectra)
- Web elements. Contains physical and chemical data on the elements, and on-line isotope pattern calculators.
- The Base Peak Mass Spec Site
- Mass Spectrometry Links
- LC-GC. This is the best industry publication on general chromatographic techniques.
- Chromatography Resources
- Chromatography Links
- A useful table of isotopic patterns of the elements (Fig. 1 on that document)
- Aerosol Mass Spectrometry
Journals with Substantial Mass Spectrometry and Analytical Separations Content
Analytical Chemistry Journals
- Analytical Chemistry
- Analytical Chemistry Reviews (highly recommended)
- Analytical and Bioanalytical Chemistry
- Trends in Analytical Chemistry
- The Analyst
Mass Spectrometry Journals
- Mass Spectrometry Reviews
- International Journal of Mass Spectrometry (Norlin Basement, QC451.I54)
- Rapid Communications in Mass Spectrometry
- Journal of the American Society for Mass Spectrometry
- European Mass Spectrometry Journal
- Journal of Mass Spectrometry