ChromaTOF® Brand Software
Developed exclusively by LECO, ChromaTOF is uniquely designed to meet the needs of today’s laboratory professionals by processing and analyzing the large amounts of data that are acquired with our time-of-flight instruments. ChromaTOF offers seamless control of both the instrument and its accessories, as well as an intuitive interface with highly integrated data processing. ChromaTOF is the first mass spectrometry data system to fully accommodate multidimensional chromatographic data (GC×GC).
What Makes ChromaTOF Unique?
- Data processing is automatically saved within the file system—no extra steps are needed and you can always come back to where you left off
- Data file system stores and manages meta- and instrument data for you
- All standard features are contained within one software package; control for some compatible options is built–in and can be activated when needed
- Easy-to-use, yet powerful, efficient, and robust
- Frequently updated for improved maintenance and additional feature development
ChromaTOF Version 5.0 encapsulates the industry’s most advanced qualitative and quantitative capabilities in one user-friendly data-handling system. Supports both Pegasus BT and Pegasus GC-HRT+ instrument platforms.
Features
- Automatic tuning and associated report generation
- Absolute concentration of analytes based on calibration curve
- Relative quantitation based on a reference’s or analyte’s curve
- Quantitation from a single channel detector (Flame Ionization Detection FID)
- Importable ready-to-use workspace templates for access to preferred user interfaces and reduced set-up times
- Deconvoluted spectra are easily searched against the latest NIST, Wiley, or user-created library for identification
- Semi-Quantitative Analysis for the reporting of non-calibrated compounds
- Integrated control of a variety of sample handling options from LECO and Agilent; contact closure for other vendors
- Automatically export data to CSV, ANDI MS, NETCDF, or LECO file formats
- Compatibility with LECO's liquid nitrogen or consumable-free GCxGC thermal modulator
- GC×GC Classification development tools
- Integrated control of Agilent 7890GC
- Search for unknown unknowns with ChemSpider
- Helpful tools to:
- Calculate monoisotopic mass from formulae
- Generate formulae from measured mass
- Calculate mass resolution needed to separate 2 masses
Features Exclusively for Pegasus GC-HRT+
- Automated unknown identification with High Resolution Deconvolution algorithm
- Automatic fragment formula generation and corresponding mass accuracies from NIST generated library matches
- Create and use Accurate Mass Spectral Libraries. New LECO Accurate Mass Library, built for the GC-HRT+ gives you complete confidence that a hit is strong identification. Calculate a similarity score (AML Rank) based on accurate masses
- User-scalable mass defect plots; e.g. Kendrick mass defect scale
- Optional Spectral Analysis Tool add-on allows you to use Van Krevelen and Carbon Number versus RDBE (ring double bond equivalents) plots, and many other advantages
Pegasus BT Features
- Automated unknown identification with NonTarget Deconvolution algorithm
- Full profile mass spectra at are acquired at 35 kHz with better than nominal resolution
| Pegasus Instrument Model | Latest ChromaTOF Version |
Major Features |
|
GC-HRT |
5.10 | Addition of the L-PAL3 and Spectral Analysis Tools |
|
GC-HRT |
5.10 | Addition of the L-PAL3 and Spectral Analysis Tools |
| GCxGC FID 4D, HT (incl “C”) TruTOF |
4.72 | Fixes |
| BT BT 4D |
5.32.09 |
Added nominal mass data export |
|
GC-HRT+ |
5.32.12 |
Identification Grading System and |
Used by industry leaders for over 15 years, ChromaTOF-GC supports GC×GC deconvolution, visualization, and reporting.
- True Signal Deconvolution, Automated Peak Find, and Extended Range Calibration algorithms
- Enhanced graphics for GCxGC users, including the option of displaying peak labels and peak markers on contour and surface plots
- Importable ready-to-use workspace templates for access to preferred user interfaces and reduced set-up times
- Semi-Quantitative Analysis for the reporting of non-calibrated compounds
- Automatic tuning within user-defined quality control methods
- Integrated control of a variety of sample handling options from Gerstel, LEAP, Shimadzu, and Agilent
- Fully-integrated optional environmental report designer
- Customizable user interface
- Automatically export data to PDF, CSV, ANDI MS, NETCDF, or Raw file formats
- Compatibility with LECO's consumable-free GC×GC thermal modulator
- Classification development tools
- Capacity for files up to 4 GB and compatibility with Windows operating systems
- The LECO/Fiehn Metabolomics Library features over 1,100 spectra of 700 unique metabolomics for metabolite identification in your most complex samples. Fully integrated within ChromaTOF, the library works seamlessly with the software's Library Search function to automatically identify potential analyte matches without the need for importing or exporting data.
