MIDAS-G is a platform for investigating fragmentation rules of tandem mass spectrometry (MS/MS). It identifies metabolites using the MIDAS algorithm and allows users to specify the weights of specific bonds for indicating the chances of these types of bonds to be broken in fragmentation. MIDAS-G uses graph grammar for recognizing chemical bonds and their neighboring structures. Based on annotated MS/MS data, users can investigate fragmentation rules by comparing performances under different weight settings. It is worth noting that MIDAS-G with no grammar mode works as same as MIDAS.
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Download the tool for converting mzML format to FT2 format.
Citation
- Yingfeng Wang*, Xutao Wang, and Xiaoqin Zeng, “MIDAS-G: A Computational Platform for Investigating Fragmentation Rules of TandemMass Spectrometry in Metabolomics,” Metabolomics, vol. 13, no. 10. pp. 116, 2017.