SpecLibDolphin2011: Mass Spectral Library Dolphin Blubber 2011

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, 8001-8008. DOI: 10.1021/es301139q. The sample is blubber from a common dolphin (Delphinus delphis) fatally stranded January 2006 in Orleans, Massachusetts.

Author
Nathan G. Dodder, with study authors Eunha Hoh, Steven J. Lehotay, Kristin C. Pangallo, Christopher M. Reddy, and Keith A. Maruya.
Date of publication
2013-05-18 22:07:06
Maintainer
Nathan Dodder <nathand@sccwrp.org>
License
BSD_2_clause + file LICENSE
Version
0.5-3
URLs

View on R-Forge

Man pages

dolphin2011.spec
Package data.
LibraryReport
Mass Spectral Library Report
MakeTable
Make summary table
PlotClasses
Plot 2D Chromatograms
SpecLibDolphin2011-package
Mass Spectral Library Dolphin Blubber 2011

Files in this package

SpecLibDolphin2011/DESCRIPTION
SpecLibDolphin2011/LICENSE
SpecLibDolphin2011/NAMESPACE
SpecLibDolphin2011/R
SpecLibDolphin2011/R/LibraryReport.R
SpecLibDolphin2011/R/MakeTable.R
SpecLibDolphin2011/R/PlotClasses.R
SpecLibDolphin2011/data
SpecLibDolphin2011/data/datalist
SpecLibDolphin2011/data/dolphin2011.meta.csv.gz
SpecLibDolphin2011/data/dolphin2011.spec.csv.gz
SpecLibDolphin2011/inst
SpecLibDolphin2011/inst/doc
SpecLibDolphin2011/inst/doc/SpecLibDolphin2011_instructions.pdf
SpecLibDolphin2011/inst/extdata
SpecLibDolphin2011/inst/extdata/struct
SpecLibDolphin2011/inst/extdata/struct/2_coeluting_hydroxychlordene_69653754.png
SpecLibDolphin2011/inst/extdata/struct/3Br_MeOBDE.png
SpecLibDolphin2011/inst/extdata/struct/3Br_PBDE.png
SpecLibDolphin2011/inst/extdata/struct/3Br_PBHD.png
SpecLibDolphin2011/inst/extdata/struct/3Cl_PCS.png
SpecLibDolphin2011/inst/extdata/struct/4Br_2MeOBB80.png
SpecLibDolphin2011/inst/extdata/struct/4Br_DMBP_isomer_1.png
SpecLibDolphin2011/inst/extdata/struct/4Br_DMBP_isomer_2.png
SpecLibDolphin2011/inst/extdata/struct/4Br_MBP.png
SpecLibDolphin2011/inst/extdata/struct/4Br_MeOBDE47_isomer_3.png
SpecLibDolphin2011/inst/extdata/struct/4Br_MeOBDE68_isomer_2.png
SpecLibDolphin2011/inst/extdata/struct/4Br_MeOBDE_isomer_1.png
SpecLibDolphin2011/inst/extdata/struct/4Br_PBB_isomer_1.png
SpecLibDolphin2011/inst/extdata/struct/4Br_PBB_isomer_2.png
SpecLibDolphin2011/inst/extdata/struct/4Br_PBDE_isomer_1.png
SpecLibDolphin2011/inst/extdata/struct/4Br_PBDE_isomer_2.png
SpecLibDolphin2011/inst/extdata/struct/4Br_PBDE_isomer_3.png
SpecLibDolphin2011/inst/extdata/struct/4Br_PBDE_isomer_4.png
SpecLibDolphin2011/inst/extdata/struct/4Br_PBHD.png
SpecLibDolphin2011/inst/extdata/struct/4Cl_PCS_isomer_1.png
SpecLibDolphin2011/inst/extdata/struct/4Cl_PCS_isomer_2.png
SpecLibDolphin2011/inst/extdata/struct/4Cl_PCS_isomer_3.png
SpecLibDolphin2011/inst/extdata/struct/4Cl_PCS_isomer_4.png
SpecLibDolphin2011/inst/extdata/struct/5Br_DMBP_isomer_1.png
SpecLibDolphin2011/inst/extdata/struct/5Br_DMBP_isomer_2.png
SpecLibDolphin2011/inst/extdata/struct/5Br_DMBP_isomer_3.png
SpecLibDolphin2011/inst/extdata/struct/5Br_MBP_isomer_1.png
SpecLibDolphin2011/inst/extdata/struct/5Br_MBP_isomer_2.png
SpecLibDolphin2011/inst/extdata/struct/5Br_MBP_isomer_3.png
SpecLibDolphin2011/inst/extdata/struct/5Br_MBP_isomer_4.png
SpecLibDolphin2011/inst/extdata/struct/5Br_MeOBDE_isomer_1.png
SpecLibDolphin2011/inst/extdata/struct/5Br_MeOBDE_isomer_2.png
SpecLibDolphin2011/inst/extdata/struct/5Br_MeOBDE_isomer_3.png
SpecLibDolphin2011/inst/extdata/struct/5Br_PBB_isomer_1.png
SpecLibDolphin2011/inst/extdata/struct/5Br_PBB_isomer_2.png
SpecLibDolphin2011/inst/extdata/struct/5Br_PBDE_isomer_1.png
SpecLibDolphin2011/inst/extdata/struct/5Br_PBDE_isomer_2.png
SpecLibDolphin2011/inst/extdata/struct/5Br_PBDE_isomer_3.png
SpecLibDolphin2011/inst/extdata/struct/5Cl_PCDE.png
SpecLibDolphin2011/inst/extdata/struct/5Cl_PCS_isomer_1.png
SpecLibDolphin2011/inst/extdata/struct/5Cl_PCS_isomer_2.png
SpecLibDolphin2011/inst/extdata/struct/5Cl_PCS_isomer_3.png
SpecLibDolphin2011/inst/extdata/struct/5Cl_PCS_isomer_4.png
SpecLibDolphin2011/inst/extdata/struct/6Br_DMBP.png
SpecLibDolphin2011/inst/extdata/struct/6Br_MBP_isomer_1.png
SpecLibDolphin2011/inst/extdata/struct/6Br_MBP_isomer_2.png
SpecLibDolphin2011/inst/extdata/struct/6Br_MBP_isomer_3.png
SpecLibDolphin2011/inst/extdata/struct/6Br_MBP_isomer_4.png
SpecLibDolphin2011/inst/extdata/struct/6Br_PBB_isomer_1.png
SpecLibDolphin2011/inst/extdata/struct/6Br_PBB_isomer_2.png
SpecLibDolphin2011/inst/extdata/struct/6Br_PBB_isomer_3.png
SpecLibDolphin2011/inst/extdata/struct/6Br_PBB_isomer_4.png
SpecLibDolphin2011/inst/extdata/struct/6Br_PBB_isomer_5.png
SpecLibDolphin2011/inst/extdata/struct/6Br_PBB_isomer_6.png
SpecLibDolphin2011/inst/extdata/struct/6Br_PBDE_isomer_1.png
SpecLibDolphin2011/inst/extdata/struct/6Br_PBDE_isomer_2.png
SpecLibDolphin2011/inst/extdata/struct/6Br_PBDE_isomer_3.png
SpecLibDolphin2011/inst/extdata/struct/6Br_PBDE_isomer_4.png
SpecLibDolphin2011/inst/extdata/struct/6Br_PBDE_isomer_5.png
SpecLibDolphin2011/inst/extdata/struct/6Cl_MBP_isomer_1.png
SpecLibDolphin2011/inst/extdata/struct/6Cl_MBP_isomer_2.png
SpecLibDolphin2011/inst/extdata/struct/6Cl_PCDE_isomer_1.png
SpecLibDolphin2011/inst/extdata/struct/6Cl_PCDE_isomer_2.png
SpecLibDolphin2011/inst/extdata/struct/6Cl_PCDE_isomer_3.png
SpecLibDolphin2011/inst/extdata/struct/6Cl_PCDE_isomer_4.png
SpecLibDolphin2011/inst/extdata/struct/6Cl_PCS_isomer_1.png
SpecLibDolphin2011/inst/extdata/struct/6Cl_PCS_isomer_2.png
SpecLibDolphin2011/inst/extdata/struct/6Cl_PCS_isomer_3.png
SpecLibDolphin2011/inst/extdata/struct/7Br_MBP.png
SpecLibDolphin2011/inst/extdata/struct/7Br_PBDE_isomer_1.png
SpecLibDolphin2011/inst/extdata/struct/7Br_PBDE_isomer_2.png
SpecLibDolphin2011/inst/extdata/struct/7Br_PBDE_isomer_3.png
SpecLibDolphin2011/inst/extdata/struct/7Cl_MBP.png
SpecLibDolphin2011/inst/extdata/struct/7Cl_MeOCDE.png
SpecLibDolphin2011/inst/extdata/struct/7Cl_PCDE_isomer_1.png
SpecLibDolphin2011/inst/extdata/struct/7Cl_PCDE_isomer_2.png
SpecLibDolphin2011/inst/extdata/struct/7Cl_PCDE_isomer_3.png
SpecLibDolphin2011/inst/extdata/struct/7Cl_PCDE_isomer_4.png
SpecLibDolphin2011/inst/extdata/struct/7Cl_PCDE_isomer_5.png
SpecLibDolphin2011/inst/extdata/struct/7Cl_PCDE_isomer_6.png
SpecLibDolphin2011/inst/extdata/struct/7Cl_PCDE_isomer_7.png
SpecLibDolphin2011/inst/extdata/struct/7Cl_PCDE_isomer_8.png
SpecLibDolphin2011/inst/extdata/struct/7Cl_PCS_isomer_1.png
SpecLibDolphin2011/inst/extdata/struct/7Cl_PCS_isomer_2.png
SpecLibDolphin2011/inst/extdata/struct/7Cl_PCS_isomer_3.png
SpecLibDolphin2011/inst/extdata/struct/8Cl_MeOCDE_isomer_1.png
SpecLibDolphin2011/inst/extdata/struct/8Cl_MeOCDE_isomer_2.png
SpecLibDolphin2011/inst/extdata/struct/8Cl_PCDE_isomer_1.png
SpecLibDolphin2011/inst/extdata/struct/8Cl_PCDE_isomer_2.png
SpecLibDolphin2011/inst/extdata/struct/8Cl_PCS.png
SpecLibDolphin2011/inst/extdata/struct/Br2Cl4_DMBP.png
SpecLibDolphin2011/inst/extdata/struct/Br3Cl2_DMBP.png
SpecLibDolphin2011/inst/extdata/struct/Br3Cl_BCDE_isomer_1.png
SpecLibDolphin2011/inst/extdata/struct/Br3Cl_BCDE_isomer_2.png
SpecLibDolphin2011/inst/extdata/struct/Br3Cl_MBP.png
SpecLibDolphin2011/inst/extdata/struct/Br4Cl2_DMBP.png
SpecLibDolphin2011/inst/extdata/struct/Br4Cl2_MBP_isomer_1.png
SpecLibDolphin2011/inst/extdata/struct/Br4Cl2_MBP_isomer_2.png
SpecLibDolphin2011/inst/extdata/struct/Br4Cl_BCDE.png
SpecLibDolphin2011/inst/extdata/struct/Br4Cl_MBP_isomer_1.png
SpecLibDolphin2011/inst/extdata/struct/Br4Cl_MBP_isomer_2.png
SpecLibDolphin2011/inst/extdata/struct/Br4Cl_MBP_isomer_3.png
SpecLibDolphin2011/inst/extdata/struct/Br4Cl_MBP_isomer_4.png
SpecLibDolphin2011/inst/extdata/struct/Br4Cl_MBP_isomer_5.png
SpecLibDolphin2011/inst/extdata/struct/Br4Cl_MBP_isomer_6.png
SpecLibDolphin2011/inst/extdata/struct/Br5Cl2_MBP.png
SpecLibDolphin2011/inst/extdata/struct/Br5Cl_BCDE_isomer_1.png
SpecLibDolphin2011/inst/extdata/struct/Br5Cl_BCDE_isomer_2.png
SpecLibDolphin2011/inst/extdata/struct/Br5Cl_BCDE_isomer_3.png
SpecLibDolphin2011/inst/extdata/struct/Br5Cl_BCDE_isomer_4.png
SpecLibDolphin2011/inst/extdata/struct/Br5Cl_DMBP.png
SpecLibDolphin2011/inst/extdata/struct/Br5Cl_MBP_isomer_1.png
SpecLibDolphin2011/inst/extdata/struct/Br5Cl_MBP_isomer_2.png
SpecLibDolphin2011/inst/extdata/struct/Br5Cl_MBP_isomer_3.png
SpecLibDolphin2011/inst/extdata/struct/Br5Cl_MBP_isomer_4.png
SpecLibDolphin2011/inst/extdata/struct/Br6Cl_MBP.png
SpecLibDolphin2011/inst/extdata/struct/DDE_isomer_1.png
SpecLibDolphin2011/inst/extdata/struct/DDE_isomer_2.png
SpecLibDolphin2011/inst/extdata/struct/DDEt.png
SpecLibDolphin2011/inst/extdata/struct/DDM.png
SpecLibDolphin2011/inst/extdata/struct/DDMU.png
SpecLibDolphin2011/inst/extdata/struct/DDT_related_1.png
SpecLibDolphin2011/inst/extdata/struct/DDT_related_2.png
SpecLibDolphin2011/inst/extdata/struct/DDT_related_3.png
SpecLibDolphin2011/inst/extdata/struct/HCH_isomer_1.png
SpecLibDolphin2011/inst/extdata/struct/HCH_isomer_2.png
SpecLibDolphin2011/inst/extdata/struct/HCH_isomer_3.png
SpecLibDolphin2011/inst/extdata/struct/TCPM_isomer_1.png
SpecLibDolphin2011/inst/extdata/struct/TCPM_isomer_2.png
SpecLibDolphin2011/inst/extdata/struct/alpha_chlordane.png
SpecLibDolphin2011/inst/extdata/struct/bromoindole.png
SpecLibDolphin2011/inst/extdata/struct/chlordane_related_10.png
SpecLibDolphin2011/inst/extdata/struct/chlordane_related_11.png
SpecLibDolphin2011/inst/extdata/struct/chlordane_related_12.png
SpecLibDolphin2011/inst/extdata/struct/chlordane_related_13.png
SpecLibDolphin2011/inst/extdata/struct/chlordane_related_14.png
SpecLibDolphin2011/inst/extdata/struct/chlordane_related_5.png
SpecLibDolphin2011/inst/extdata/struct/chlordane_related_6.png
SpecLibDolphin2011/inst/extdata/struct/chlordane_related_7.png
SpecLibDolphin2011/inst/extdata/struct/chlordane_related_8.png
SpecLibDolphin2011/inst/extdata/struct/chlordane_related_9.png
SpecLibDolphin2011/inst/extdata/struct/cis_nonachlor.png
SpecLibDolphin2011/inst/extdata/struct/dibromoindole_isomer_1.png
SpecLibDolphin2011/inst/extdata/struct/dibromoindole_isomer_2.png
SpecLibDolphin2011/inst/extdata/struct/dieldrin.png
SpecLibDolphin2011/inst/extdata/struct/gamma_chlordane.png
SpecLibDolphin2011/inst/extdata/struct/gamma_chlordene.png
SpecLibDolphin2011/inst/extdata/struct/heptachlor.png
SpecLibDolphin2011/inst/extdata/struct/heptachlor_epoxide.png
SpecLibDolphin2011/inst/extdata/struct/heptachlor_related_1.png
SpecLibDolphin2011/inst/extdata/struct/heptachlor_related_2.png
SpecLibDolphin2011/inst/extdata/struct/heptachlor_related_3.png
SpecLibDolphin2011/inst/extdata/struct/hexachloro_ethylbenzene.png
SpecLibDolphin2011/inst/extdata/struct/hexachlorobenzene.png
SpecLibDolphin2011/inst/extdata/struct/methoxy_DE_Br3Cl.png
SpecLibDolphin2011/inst/extdata/struct/methoxy_DE_Br4Cl.png
SpecLibDolphin2011/inst/extdata/struct/mirex.png
SpecLibDolphin2011/inst/extdata/struct/mirex2Cl.png
SpecLibDolphin2011/inst/extdata/struct/mirexCl_isomer_1.png
SpecLibDolphin2011/inst/extdata/struct/mirexCl_isomer_2.png
SpecLibDolphin2011/inst/extdata/struct/opDDD.png
SpecLibDolphin2011/inst/extdata/struct/oxychlordane.png
SpecLibDolphin2011/inst/extdata/struct/pentachlorobenzene.png
SpecLibDolphin2011/inst/extdata/struct/pentachloroethylbenzene.png
SpecLibDolphin2011/inst/extdata/struct/ppDDD.png
SpecLibDolphin2011/inst/extdata/struct/ppDDE.png
SpecLibDolphin2011/inst/extdata/struct/ppDDT.png
SpecLibDolphin2011/inst/extdata/struct/tetraphenyltin.png
SpecLibDolphin2011/inst/extdata/struct/trans_nonachlor.png
SpecLibDolphin2011/inst/extdata/struct/tribromoanisole.png
SpecLibDolphin2011/inst/extdata/struct/tribromophenol.png
SpecLibDolphin2011/inst/extdata/struct/unknown_5.png
SpecLibDolphin2011/man
SpecLibDolphin2011/man/LibraryReport.Rd
SpecLibDolphin2011/man/MakeTable.Rd
SpecLibDolphin2011/man/PlotClasses.Rd
SpecLibDolphin2011/man/SpecLibDolphin2011-package.Rd
SpecLibDolphin2011/man/dolphin2011.spec.Rd