Contains the code and mass spectral library described in: Nontargeted Comprehensive Two-Dimensional Gas Chromatography/Time-of-Flight Mass Spectrometry Method and Software for Inventorying Persistent and Bioaccumulative Contaminants in Marine Environments, Environmental Science and Technology 2012, 46 (15), 8001-8008. DOI: 10.1021/es301139q. The sample is blubber from a common dolphin (Delphinus delphis) fatally stranded January 2006 in Orleans, Massachusetts.
The article includes a description of the study goals, sample, direct sample introduction method, GCxGC/TOF-MS analytical method, the purpose and basic design of this software, and results. The original PDF version of this library is supplementary material to the article.
A PDF file containing user notes, SpecLibDolphin2011_instructions.pdf,
can be accessed by help(package = "SpecLibDolphin2011")
then
clicking on browse directory, or by browsing the package source.
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