Wiley KnowItAll Mass Spec Training - Part 2: ProcessIt for Manual Processing of EI GC-MS Data
James Little: Wiley KnowItAll Mass Spec Training: Wiley KnowItAll Mass Spec Training - Part 2: ProcessIt for Manual Processing of EI GC-MS Data
Wiley released a KnowItAll version with many new powerful electron ionization gas chromatography-mass spectrometry (EI GC-MS) capabilities. I have developed FREE training videos and associated handouts covering basic and advanced MS topics that will be helpful to the new user.
Also, a Quick Reference Guide. is available.
KnowItAll is a vendor neutral data processing solution for spectral analyses which will be very valuable in unknown identifications.
It processes IR, Raman, MS, NMR, and UV data employing a large number of file formats (>170) and a total of 2.5 million reference spectra.
- ~264K IR
- ~25K Raman
- ~1.25M EI mass spec
- ~894K NMR
- ~30K UV
Highlights:
- Deconvolution/very fast library searching of accurate/nominal mass GC-MS data
- Easy manual processing of nominal and accurate mass GC-MS data
- Fast EI searches of >1.2 million spectra in <0.5 seconds
- Amazing adaptive search for unknown ID by extending usefulness of all libraries
- Transfer structures and spectra between NIST search and KnowItAll
- Easy structure drawing and structure searches
- Conversion of NIST user libraries to Wiley format
- Easy creation of libraries using links to MS interpreter and PubChem
In the second part we will look at:
Detailed Handouts including tables of content are available in the LabRulezGCMS library.
- Open ProcessIt In Spectral Processing Group of Programs And Test Files Such as V50.cdf Found in MS Expert Folder
- Horizontal Zoom or Box Zoom Mode to Expand Chromatogram
- After Zooming, MUST Right Click and Get Select Option to Click on Chromatogram Window to Get a Spectrum or Get Pointer from Menu Bar
- Select Spectrum of Interest by Left Click on Peak of Interest In Chromatogram Window, Sent to Bottom Display
- Center Window Can Be Minimized by Hovering Over the Line On the Edge of Its Box to the Mouse Pointer Changes
- Select Either Show Unit Masses for Nominal Mass Data or Show Accurate Masses for Accurate Mass Analyses
- Manually Obtaining Average Spectra Over a Range
- Manually Subtracting Background from a Range of Spectra
- Changing Background and Foreground Ranges
- Removing Background and Foreground Ranges
- More Than One File Can Be Open at a Time
Future parts will focus on:
- Part 1. KnowIt All Introduction
- Part 3. SearchIt/MineIt: Similarity Library Search
- Part 4. SearchIt/MineIt; Novel New Adaptive Library Search
- Part 5. SearchIt/MineIt: Unresolved Peak Analyses and Library Search
- Part 6. MS Expert: Deconvolution of Mixtures with Library Search
- Part 7. Interchange of Spectra Between KnowItAll and NIST Search
- Part 8. Tips for Drawing Structures and Structure Searches in ChemWindow
- Part 9. Structure Interchange Between KnowItAll and NIST plus MS Interpreter
- Part 10. Converting NIST Libraries to Wiley Format
- Part 11. Making a User Library Using NIST MS Interpreter and PubChem
- Part 12. Real World Example with IR and MS Combined searches
