Analytical Instrument Documents

JEOL Resources


Documentation in support of your JEOL product.

Integrated Analysis of GC-HRTOFMS Data Using Hard and Soft Ionization to Identify Trace Impurities in Fine Chemicals


Gas chromatography combined with mass spectrometry (GC-MS) is well known as a powerful analytical tool for non-targeted analysis of complex mixtures such as environmental samples, quality control for feedstocks and fine chemicals, contaminants and impurities in commercial products, and metabolomic studies. GC-MS with a pyrolysis inlet is also widely used for materials characterization.
Interpretation of GC-MS data is heavily reliant upon searching electron ionization (EI) mass spectra against databases such as the NIST and Wiley mass spectral databases. Problems arise if the molecular ion is weak or absent, making it difficult to discriminate between compounds with different compositions, but similar mass spectra. A further complication is that many compounds do not have an entry in the databases.
A high-resolution time-of-flight mass spectrometer (HRTOFMS) is ideal for non-targeted analysis because it provides accurate mass and isotope data and is compatible with fast chromatography. Soft ionization methods[1] such as chemical ionization (CI), field ionization (FI) and photoionization (PI) provide molecular weight and elemental composition data to complement the database search results for electron ionization. Manual interpretation of the data is time-consuming. Here, we present a simple example of how an automated data interpretation program (“msFineAnalysis”) combines all of the information from the high-resolution mass spectra for both electron ionization and chemical ionization mass spectra[2] to identify trace impurities in triphenylphosphine (1), a fine chemical used as a reagent for organic synthesis.

Read more by downloading the whitepaper below:

Attached Files
Showing 0 Comment

Comments are closed.

Other Resources

Walkup NMR
  • See how the Delta NMR software allows users to just "walk up" and start NMR experiments
  • Mass Spec Reference Data
  • View our page of useful molecular references for Mass Spec
  • Tutorials (Mass Spec)
  • Documents on the basics of mass spectrometry
  • Delta NMR software Tutorials
  • Videos on how to use the Delta NMR software
  • No-D NMR
  • Description of No-D NMR and how it can be used to eliminate the need for deuterated solvents
  • Non Uniform Sampling (NUS)
  • Description of how NUS is used to greatly reduce the time needed for running NMR experiments
  • NMR Basics
  • Overview of the Basics of NMR Theory
  • NMR Magnet Destruction
  • See our presentation of the slicing open of a JEOL Delta-GSX 270 MHz NMR Magnet
  • NMR Training
    Basic Operations and System Management for JEOL NMR Users
    Mass Spec Training
    Learn more about spectrometer operation and maintenance, data collection and processing, and advanced MS software operation.
    JEOLink NMR Newsletter
    We publish and send out this NMR newsletter to our customers. They can also be viewed here.
    Mass Media Newsletter
    We publish and send out this Mass Spec newsletter to our customers. They can also be viewed here.
    © Copyright 2024 by JEOL USA, Inc.
    Terms of Use
    Privacy Policy
    Cookie Preferences