Auto-Qualitative Analysis Software: msFineAnalysis

JEOLhas designed the msFineAnalysis Auto-qualitative Analysis Software to enable a qualitative analysis of High-Resolution GC Mass Spec data utilizing the AccuTOF™ GCx-plus Mass Spectrometer.

The software incorporates EI as well as soft ionization data (FI, PI, GC/CI) with isotope data, exact mass, and library search. It also compares molecular formula data obtained from the NIST library search with soft ionization exact mass data analysis to guarantee precise qualitative outcomes.

The software automatically analyzes the NIST library search results, chooses the right components from numerous candidates with analogous scores, and reduces the chance of false-positive identifications.

For unfamiliar components that are not registered in the NIST libraries, the software uses the soft ionization data to estimate molecular formulas. It also achieves partial structure data and uses the EI data to estimate structural formulas.

The msFineAnalysis software redefines qualitative GC-MS analysis and is a significant addition to the capabilities of JEOL’s AccuTOF GCx-plus.

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

Supports color universal design

Utilizes five different groups of analytical results to automatically rank components; offers analytical results in a single table

Group Analysis

Group analysis distinctly acquires analytical results of components that contain a particular ion observed (fragment ion/molecular ion) or neutral loss. Components that share an analogous partial structure, like congeners, can be effectively analyzed by specifying a neutral loss or fragment ion. Similarly, isomers can be analyzed by specifying a molecular ion. Group analysis can acquire results of up to five groups at a time.

Auto-Qualitative Analysis that Combines Five Qualitative Techniques for the Peaks Detected

1. NIST Library Search

2. Molecular Ion Search

3. Exact Mass Analysis

4. Isotopic Pattern Analysis

5. EI Fragment Ion Analysis

Design Concept of msFineAnalysis

The software automatically carries out all qualitative analysis procedures that otherwise would have to be performed manually

Users can easily achieve qualitative analysis results by integrating soft ionization (CI, FI, or PI) data and GC/EI data

Introductory Video of the msFineAnalysis Software

msFineAnalysis Introductory VideoPlay

Multiple Ionization Methods for the AccuTOF™ GCx-plus

The AccuTOF-GCx-plus has been developed for optimum uptime, operation, and throughput. An elective combination EI/FI/FD ion source removes the requirement for source exchange for such experiments.

Field ionization or gas chromatography can also be utilized to define samples that otherwise would be hard to analyze by other methods.

Key Features

Creation of mass spectrum through manual peak detection

Automatic creation of mass spectrum and automatic detection of peaks

Creation of mass spectrum through deconvolution

Analysis of molecular ions from a pair of mass spectra

Analysis of matching components in two measurement data

Display of measurement conditions

Display of accurate-mass analysis result

Display of isotopic-pattern analysis result

Display of NIST database search results