chromaTOF2

Software for Separation Science


What is ChromaTOF?

LECO’s ChromaTOF® brand software is an industry standard mass spectrometer data system for acquiring, processing, and reporting data. Uniquely designed to meet the needs of today’s laboratory professionals in the food/flavor/fragrance, metabolomics, environmental, and petrochemical industries, ChromaTOF offers seamless control of both the instrument and 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 (GCxGC), transforming your analysis.

Visit our custom app, designed to help you get the most out of GCxGC https://www.leco.com/simply-gcxgc

 

  • Identify and quantify components with both targeted and non-targeted analysis all from one injection
  • Our non-targeted approach is based on industry leading deconvolution algorithms
    • Deconvolution algorithms operate on a 3-dimensional data cube where features are extracted in each dimension simultaneously, leading to accurate identification of coeluting species with the removal of continuous background ions
    • The process is fully automated so that you only review the end result, no manual manipulation is necessary
  • Targeted quantitation approach matches all industry standards for quantifying your analytes
    • Target Analyte Find (TAF) allows users to quantify peaks at the lowest limits of detectability
    • Absolute concentration of analytes based on calibration curve
    • Relative quantitation based on a reference or another analytes curve
    • Quantitation from a single channel detector, Flame Ionization Detection (FID)
  • All data and processing results are fully reportable and exportable (standard formats)


What Sets ChromaTOF Apart?

  • Data processing is automatically saved within 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, even optional items are built –in and can be activated when needed
  • Easy-to-use, efficient, and robust
  • Frequently updated for continuous maintenance and feature development.

 

ChromaTOF 5.0

NEW 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+

Common Features

  • Automatic tuning and associated report generation
  • Absolute Concentration of analytes based on calibration curve
  • Relative quantitation based on a reference or another analytes 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
    • Customizable user interface
  • • 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
  • GCxGC 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

 

Pegasus GC-HRT+ Features

    • 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
        • Calculation of a similarity score (AML Rank) based on accurate masses, what you would truly expect from an accurate mass library
    • 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

 

ChromaTOF-GC

Used by industry leaders for over 15 years, ChromaTOF-GC supports GCxGC 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 GCxGC 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.
  • To learn more about LECO’s advantages for metabolomics, view the following video presentation, presented by Dr. Oliver Fiehn of UC Davis at Metabolomics 2015: Large Scale Analysis of Primary and Volatile Metabolism by GC-TOFMS

Current Software Version

Pegasus Instrument Model Latest
ChromaTOF Version		 Major Features

GC-HRT
4000 Series

 5.10 Addition of the LPAL3 and
Spectral Analysis Tools

GC-HRT
6000 Series

 5.10 Addition of the LPAL3 and
Spectral Analysis Tools
GCxGC FID,
4D, HT (incl "C"),
and TruTOF
 4.72 Fixes
BT
BT 4D		 5.32.09

Added nominal mass data export
with significant fixes

GC-HRT+
6500 Series

 5.32.12

Identification Grading System and significant updates and fixes

Added nominal mass data export with significant fixes