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OpenMS
2.6.0
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Export MS/MS data in .MGF format for GNPS (http://gnps.ucsd.edu).
GNPS (Global Natural Products Social Molecular Networking, http://gnps.ucsd.edu) is an open-access knowledge base for community-wide organisation and sharing of raw, processed or identified tandem mass (MS/MS) spectrometry data. The GNPS web-platform makes possible to perform spectral library search against public MS/MS spectral libraries, as well as to perform various data analysis such as MS/MS molecular networking, network annotation propagation (http://journals.plos.org/ploscompbiol/article?id=10.1371/journal.pcbi.1006089), and the Dereplicator-based annotation (https://www.nature.com/articles/nchembio.2219). The GNPS manuscript is available here: https://www.nature.com/articles/nbt.3597
This tool was developed for the OpenMS-GNPS workflow. It can be accessed on GNPS (https://gnps.ucsd.edu/ProteoSAFe/static/gnps-experimental.jsp). The steps used by that workflow are as following:
The command line parameters of this tool are:
INI file documentation of this tool: