{ "_id": "6a1ad78b1d7bb097a09e655f", "Package": "CompoundDb", "Type": "Package", "Title": "Creating and Using (Chemical) Compound Annotation Databases", "Version": "1.17.0", "Authors@R": "c(person(given = \"Jan\", family = \"Stanstrup\",\nemail = \"stanstrup@gmail.com\",\nrole = c(\"aut\"),\ncomment = c(ORCID = \"0000-0003-0541-7369\")),\nperson(given = \"Johannes\", family = \"Rainer\",\nemail = \"johannes.rainer@eurac.edu\",\nrole = c(\"aut\", \"cre\"),\ncomment = c(ORCID = \"0000-0002-6977-7147\")),\nperson(given = \"Josep M.\", family = \"Badia\",\nemail = \"josepmaria.badia@urv.cat\",\nrole = c(\"ctb\"),\ncomment = c(ORCID = \"0000-0002-5704-1124\")),\nperson(given = \"Roger\", family = \"Gine\",\nemail = \"alrgibe9@gmail.com\",\nrole = c(\"aut\"),\ncomment = c(ORCID = \"0000-0003-0288-9619\")),\nperson(given = \"Andrea\", family = \"Vicini\",\nemail = \"andrea.vicini@eurac.edu\",\nrole = c(\"aut\"),\ncomment = c(ORCID = \"0000-0001-9438-6909\")),\nperson(given = \"Prateek\", family = \"Arora\",\nemail = \"prateek.arora@unibe.ch\",\nrole = c(\"ctb\"),\ncomment = c(ORCID = \"0000-0003-0822-9240\"))\n)", "Description": "CompoundDb provides functionality to create and use\n(chemical) compound annotation databases from a variety of\ndifferent sources such as LipidMaps, HMDB, ChEBI or MassBank.\nThe database format allows to store in addition MS/MS spectra\nalong with compound information. The package provides also a\nbackend for Bioconductor's Spectra package and allows thus to\nmatch experimetal MS/MS spectra against MS/MS spectra in the\ndatabase. 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