Wiley KnowItAll Mass Spec Training - Part 12. Real World Example with IR and MS Combined searches

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 eleventh part we will look at:

Detailed Handouts including tables of content are available in the LabRulezGCMS library.

• KnowItAll Attributes
• Standard Identity MS Search Fails
• KnowItAll Adaptive Search (Patented)
• KnowItAll Adaptive Search Yields Very Useful Results
• Shifted Reference Versus Unknown for Hit Quality Index Calculations
• Top 3 Hits in Adaptive EI Mass Spec Search - Unknown White Powder
• IR Analysis of Solder Using KnowItAll
• Results of IR Search Using “Mixture 2” Option
• Comparing IR Spectra of Unknown to Components 1 and 2 in Mixture Result
• Conclusions

Previous parts were focused on:

• Part 1. KnowIt All Introduction
• Part 2. ProcessIt for Manual Processing of EI GC-MS Data
• 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