Auto-qualitative Analysis Software

For qualitative analysis of High Resolution GC Mass Spec data using the AccuTOF GCx-plus Mass Spectrometer, JEOL has developed msFineAnalysis Auto-qualitative Analysis Software that integrates both EI and soft ionization data (GC/CI, PI, FI)  with library search, exact mass, and isotope data.  The software compares molecular formula information acquired from the NIST library search with soft ionization exact mass data analysis to ensure accurate qualitative results. It automatically examines the NIST library search results, reduces the possibility of false positive identifications, and selects the correct components from multiple candidates with similar scores. For unknown components not registered in the NIST libraries, it estimates molecular formulas by using the soft ionization data, acquires partial structure information and estimates structural formulas by using the EI data. msFineAnalysis takes qualitative GC-MS analysis to a whole new level, and is a major addition to the capabilities of our AccuTOF GCx-plus.

msFineAnalysis Qualitative Software for GC-MS

NEW: Version 2 of msFineAnalysis provides fast chromatographic deconvolution to provide high-quality database-searchable mass spectra, even for compounds that are not chromatographically resolved. Group analysis allows you to easily visualize compounds that share common structural features characterized by specific fragment ions or neutral losses.

Auto-determination of components (exact mass deconvolution) + Integrated interpretation

Auto-determination of components (exact mass deconvolution) + Integrated interpretation

  • Uses 5 different sets of analytical results for auto-ranking of components; provides analytical results in a single table
  • Supports Color Universal Design

Group Analysis

Group analysis exclusively extracts analytical results of components that include a specific ion observed (molecular ion/fragment ion) or neutral loss. Specifying a fragment ion or neutral loss is effective for analysis of components sharing a similar partial structure, such as congeners. Specifying a molecular ion enables analysis of isomers. Group analysis can extract results of up to 5 groups at a time.

Group Analysis

Auto-qualitative analysis that combines 5 qualitative techniques for the peaks detected

1. NIST Library Search

Group Analysis

2. Molecular Ion Search

Molecular Ion Search

3. Exact Mass Analysis

Exact Mass Analysis of Molecular Ions

4. Isotopic Pattern Analysis

Isotopic Pattern Analysis

5. EI Fragment Ion Analysis

EI Fragment Ion Analysis

Design Concept of msFineAnalysis

Design Concept of msFineAnalysis

  • Automatically performs all qualitative analysis processes that would otherwise need to be performed manually
  • Allows anyone to obtain qualitative analysis results easily by combining GC/EI data and soft ionization (FI, CI, or PI) data

msFineAnalysis Brochure

the AccuTOF-GCx msFineAnalysis brochure

Watch our introductory video of the msFineAnalysis software

Multiple ionization methods for the AccuTOF™ GCx-plus

The AccuTOF-GCx-plus is designed for optimum throughput, operation, and uptime. An optional combination EI/FI/FD ion source eliminates the need for source exchange for these experiments. Gas chromatography/field ionization can also be used to characterize samples that would be difficult to analyze by any other technique.

Standard: Electron Ionization (EI)
Optional: Chemical Ionization (CI)
  Field Desorption (FD)
  Field Ionization (FI)
  Combination EI/FI/FD
  Photoionization (PI)
  Direct Probe (exposure and insertion)
  Liquid Injection Field Desorption Ionization (LIFDI)

msFineAnalysis Details

  • Automatic peak detection and automatic creation of mass spectrum
  • Mass spectrum creation by manual peak detection
  • Mass spectrum creation by deconvolution
  • Analysis of identical components in two measurement data
  • Analysis of molecular ions from two mass spectra
  • Display of NIST database search results
  • Display of accurate-mass analysis result
  • Display of isotopic-pattern analysis result
  • Display of measurement conditions

the msFineAnalysis Brochure

The AccuTOF™ GC-plus Brochure

Applications Notebook

Ionization Methods for JEOL Mass Spectrometers - A Guidebook