Supplementary Figure 4: Data stream of the MS-DIAL 2.0 program.
From: Identifying metabolites by integrating metabolome databases with mass spectrometry cheminformatics
MS-DIAL 2.0 is designed as a universal software for MS data processing. First, MS vendor format or common format (mzML/CDF) data are converted to the ABF binary format for rapid data retrieval while the common formats, while mzML and netCDF can be directly imported. Then MS-DIAL 2.0 performs chromatogram deconvolution with support for any MS analytical platform, ranging from low and high resolution GC-MS (MS/MS) or LC-MS (MS/MS) to data dependent or data independent acquisition method. Finally, the program achieves compound annotation by matching against mass spectral library and further statistical analysis.
