Chrombox is both a collection of chromatographic and mass spectrometric data and a collection of Matlab programs for analyzing and organizing such data. Chrombox Q is developed for compound identification based on the combined information from mass spectra and chromatographic retention. Chrombox D is designed basically for LC-MS data with particular focus on analyses of lipids. Chrombox C is designed for quantitative chromatographic analysis.
Chromatographic and mass spectrometric data are currently available for fatty acid methyl esters in form of retention index maps and mass spectral libraries. The libraries are available in Matlab, JCAMP-DX and Agilent Chemstation formats.

Chrombox Q is developed for compound identification based on the combined information from mass spectra and chromatographic retention, and is basically intended for GC-MS data. The software reads Agilent Chemstation raw data, Net-CDF, mz5 and JEOL jmc. Results are exported as text (txt), Excel (xls), data interchange format (dif) comma separated values (csv) or SYLK (slk). The program runs on Matlab for Windows and Linux and is tested on Matlab versions from from 6.5 (R13) to 23.2 (R2023b).

Chrombox C is designed for quantitative chromatographic analysis and to facilitate identification using retention indices. Only single channel detection is supported. The software reads Agilent Chemstation raw data, Totalchrom rax, EZChrom txt and Chromeleon txt. Results are exported as text (txt), Excel (xls), data interchange format (dif) comma separated values (csv) or SYLK (slk). The program runs on Matlab for Windows, Linux and Mac and is tested on Matlab versions from 6.5 (R13) to 23.2 (R2023b).

Chrombox D is designed basically for LC-MS analysis with particular focus on analyses of polar lipid classes. Chromatographic raw data (XC-MS) are read as NetCDF, mz5, MS Chemstation or mzXML. Mass spectra can be imported as mzData, JEOL.jsp, Masshunter.xml or Masshunter.csv. Results are exported as text (txt), Excel (xls), data interchange format (dif), comma separated values (csv) or SYLK (slk). The program runs on Matlab for Windows and Linux and is tested on Matlab versions from 6.5 (R13) to 23.2 (R2023b).

Chrombox O (Optimizer) includes various functions for optimizing chromatographic conditions with response surface methodology. The program applies models based on chromatographic theory, in addition to classical response surface models based on polynomials. The program is adapted to result files from Chrombox Q and Chrombox C to facilitate efficient data flow.

Chromatographic and mass spectrometric data are available for fatty acid methyl esters in form of retention index maps and mass spectral libraries. The libraries are available in Matlab, JCAMP-DX and Agilent Chemstation formats. Each compound has been assigned a specific code, a name, and a short name. Overview of the compounds with mass spectra and retention indices is given in the Register.

contact: chrombox@chrombox.org