Description Usage Format Value Author(s) Source
convertMSP2MSP contains the object
that is a data frame in .MSP format, a typical format for MS/MS library
building. Each entry consists of the metabolite name (NAME), the precursor
mz (PRECURSORMZ), the retention
time (RETENTIONTIME), number of peaks (Num Peaks), together with fragments and their
intensity values. In the example used in the function
msp2msp is used to construct an object of class
Thomas Naake, firstname.lastname@example.org
http://prime.psc.riken.jp/Metabolomics_Software/MS-DIAL/, truncated .MSP file of GNPS MS/MS Negative (contains 22 entries): http://prime.psc.riken.jp/Metabolomics_Software/MS-DIAL/MSMS-GNPS-Curated-Neg.msp
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