{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000938","ANALYSIS_ID":"AN001539","VERSION":"1","CREATED_ON":"March 6, 2018, 2:43 pm"},

"PROJECT":{"PROJECT_TITLE":"Utilizing Ion Mobility Spectrometry and Mass Spectrometry for the Analysis of Polycyclic Aromatic Hydrocarbons, Polychlorinated Biphenyls, Polybrominated Diphenyl Ethers and Their Metabolites mass spectrometry","PROJECT_TYPE":"Structural analysis of xenobiotics using ion mobility","PROJECT_SUMMARY":"Standards of xenobiotics were analyzed with Agilent 6560 Ion mobility QTOF MS platform to find Collision Cross Section values. All measurements were performed in triplicate in both positive and negative polarities with nitrogen gas and at seven different electric fields, so that values could be directly measured and random standard deviations (RSD) assessed for each molecule.","INSTITUTE":"Pacific Northwest National Laboratory","DEPARTMENT":"Integrative Omics","LABORATORY":"Pacific Northwest National Laboratory","LAST_NAME":"Baker","FIRST_NAME":"Erin","ADDRESS":"Pacific Northwest National Laboratory 902 Battelle Boulevard Richland, WA","EMAIL":"erin.baker@pnnl.gov","PHONE":"5093716219"},

"STUDY":{"STUDY_TITLE":"Utilizing Ion Mobility Spectrometry and Mass Spectrometry for the Analysis of Polycyclic Aromatic Hydrocarbons, Polychlorinated Biphenyls, Polybrominated Diphenyl Ethers and Their Metabolites mass spectrometry","STUDY_TYPE":"Structural analysis of xenobiotics using ion mobility","STUDY_SUMMARY":"Standards of xenobiotics were analyzed with Agilent 6560 Ion mobility QTOF MS platform to find Collision Cross Section values. All measurements were performed in triplicate in both positive and negative polarities with nitrogen gas and at seven different electric fields, so that values could be directly measured and random standard deviations (RSD) assessed for each molecule.","INSTITUTE":"Pacific Northwest National Laboratory","DEPARTMENT":"Integrative Omics","LABORATORY":"Pacific Northwest National Laboratory","LAST_NAME":"Baker","FIRST_NAME":"Erin","ADDRESS":"Pacific Northwest National Laboratory 902 Battelle Boulevard Richland, WA","EMAIL":"erin.baker@pnnl.gov","PHONE":"5093716219"},

"SUBJECT":{"SUBJECT_TYPE":"Synthetic","SUBJECT_SPECIES":"None"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"Naphthalene",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"APCI_PAH_Mix1_7V_pos"}
},
{
"Subject ID":"-",
"Sample ID":"1-methylnaphthalene",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"APCI_PAH_Mix1_7V_pos"}
},
{
"Subject ID":"-",
"Sample ID":"2-methylnaphthalene",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"APCI_PAH_Mix3_7V_pos"}
},
{
"Subject ID":"-",
"Sample ID":"Acenaphthylene",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"APCI_PAH_Mix3_7V_pos"}
},
{
"Subject ID":"-",
"Sample ID":"Acenaphthene",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"PAH_Mix_APPI_pos"}
},
{
"Subject ID":"-",
"Sample ID":"1, 2-Dimethylnaphthalene",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"APCI_PAH_Mix1_7V_pos"}
},
{
"Subject ID":"-",
"Sample ID":"1,6-Dimethylnaphthalene",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"APCI_PAH_Mix3_7V_pos"}
},
{
"Subject ID":"-",
"Sample ID":"2, 7-Dimethylnaphthalene",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"APCI_PAH_Mix5_7V_pos"}
},
{
"Subject ID":"-",
"Sample ID":"Fluorene",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"PAH_Mix_APPI_pos"}
},
{
"Subject ID":"-",
"Sample ID":"Anthracene",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"PAH_Mix_APPI_pos-1"}
},
{
"Subject ID":"-",
"Sample ID":"Perinaphthenon",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"APCI_PAH_Mix4_7V_pos"}
},
{
"Subject ID":"-",
"Sample ID":"Acenaphthenequinone",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"APCI_PAH_Mix5_7V_pos"}
},
{
"Subject ID":"-",
"Sample ID":"2-Methylanthracene",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"APCI_PAH_Mix1_7V_pos"}
},
{
"Subject ID":"-",
"Sample ID":"9-Methylanthracene",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"APCI_PAH_Mix3_7V_pos"}
},
{
"Subject ID":"-",
"Sample ID":"Pyrene",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"APCI_PAH_Mix1_7V_pos"}
},
{
"Subject ID":"-",
"Sample ID":"Fluoranthene",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"APCI_PAH_Mix3_7V_pos, PAH_Mix_APPI, Fluoranthene_APPI"}
},
{
"Subject ID":"-",
"Sample ID":"2, 3-Dimethylanthracene",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"APCI_PAH_Mix2_7V_pos"}
},
{
"Subject ID":"-",
"Sample ID":"3,6-Dimethylphenanthrene",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"APCI_PAH_Mix4_7V_pos"}
},
{
"Subject ID":"-",
"Sample ID":"Anthraquinone",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"APCI_PAH_Mix5_7V_pos"}
},
{
"Subject ID":"-",
"Sample ID":"Triphenylene",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"APCI_PAH_Mix6_7V_pos"}
},
{
"Subject ID":"-",
"Sample ID":"Benzanthrone",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"APCI_PAH_Mix6_7V_pos"}
},
{
"Subject ID":"-",
"Sample ID":"Pyrene-4,5 dione",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"APCI_PAH_Mix2_7V_pos"}
},
{
"Subject ID":"-",
"Sample ID":"Benz(j)aceanthrylene",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"APCI_PAH_Mix2_7V_pos"}
},
{
"Subject ID":"-",
"Sample ID":"Benzo(b)fluoranthene",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"APCI_PAH_Mix4_7V_pos"}
},
{
"Subject ID":"-",
"Sample ID":"Benzo(k)fluoranthene",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"APCI_PAH_Mix6_7V_pos"}
},
{
"Subject ID":"-",
"Sample ID":"Benzo(a)Pyrene",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"BAP_APPIpos, APCI_PAH_Mix5_7V_pos"}
},
{
"Subject ID":"-",
"Sample ID":"5, 12-naphthacene quinone",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"APCI_PAH_Mix5_7V_pos"}
},
{
"Subject ID":"-",
"Sample ID":"Benzo(g,h,i)perylene",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"APCI_PAH_Mix4_7V_pos"}
},
{
"Subject ID":"-",
"Sample ID":"Indeno(1,2,3-cd)pyrene",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"APCI_PAH_Mix6_7V_pos"}
},
{
"Subject ID":"-",
"Sample ID":"Coronene",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"APCI_PAH_Mix2_7V_pos"}
},
{
"Subject ID":"-",
"Sample ID":"Dibenzo(a,h)pyrene",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"APCI_PAH_Mix6_7V_pos"}
},
{
"Subject ID":"-",
"Sample ID":"Dibenzochrysene",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"APCI_PAH_Mix4_7V_pos"}
},
{
"Subject ID":"-",
"Sample ID":"1, 5 dihydroxynaphthalene",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"1DH_APCI_CCS_neg, 1DH_APPI_CCS_neg"}
},
{
"Subject ID":"-",
"Sample ID":"2, 3-dihydroxynaphthalene",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"23A_APPI_CCS_neg, APCI_PAHMix3_7V_neg"}
},
{
"Subject ID":"-",
"Sample ID":"2, 6- dihydroxynaphthalene",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"26T_Acetone_ESI_CCS_neg"}
},
{
"Subject ID":"-",
"Sample ID":"12-Hydroxybenzo(a)pyrene",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"APCI_PAHMix1_7V_neg, 1AE_APPI_CCS_neg"}
},
{
"Subject ID":"-",
"Sample ID":"7-hydroxybenzo(a)pyrene",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"APCI_PAHMix4_7V_neg, 7AR_APPI_CCS_neg"}
},
{
"Subject ID":"-",
"Sample ID":"6-Hydroxychrysene",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"6-OH-Chrysene_APCI_CCS_neg"}
},
{
"Subject ID":"-",
"Sample ID":"1-Hydroxypyrene",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"1-OH-Pyrene_APCI_CCS_neg"}
},
{
"Subject ID":"-",
"Sample ID":"2,4,4'-Trichlorobiphenyl",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"PCB-28_APPIuL_neg, APCI_PCBMix2_18_52_7V_neg"}
},
{
"Subject ID":"-",
"Sample ID":"2,4,5-Trichlorobiphenyl",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"PCB-29_APPIneg"}
},
{
"Subject ID":"-",
"Sample ID":"2,4,6-Trichlorobiphenyl",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"PCB-30_APPIuL_neg"}
},
{
"Subject ID":"-",
"Sample ID":"2,2',5,5'-Tetrachlorobiphenyl",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"APCI_PAHMix2_7V_neg"}
},
{
"Subject ID":"-",
"Sample ID":"2,3',4',5-Tetrachlorobiphenyl",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"PCB-70_APPIuL_neg"}
},
{
"Subject ID":"-",
"Sample ID":"3,3′,4,4′-Tetrachlorobiphenyl",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"APCI_PAHMix5_7V_neg"}
},
{
"Subject ID":"-",
"Sample ID":"3,4,4',5-Tetrachlorobiphenyl",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"PCB-81_APPIuL_neg"}
},
{
"Subject ID":"-",
"Sample ID":"2,2′,4,5,5′-Pentachlorobiphenyl",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"APCI_PAHMix2_7V_neg"}
},
{
"Subject ID":"-",
"Sample ID":"2,2',4,5',6-Pentachlorobiphenyl",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"APCI_PAHMix3_7V_neg"}
},
{
"Subject ID":"-",
"Sample ID":"2,3,3',4,4'-Pentachlorobiphenyl",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"PCB-105_APPIuL_neg"}
},
{
"Subject ID":"-",
"Sample ID":"2,3,4,4',5-Pentachlorobiphenyl",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"PCB-114_APPIuL_neg"}
},
{
"Subject ID":"-",
"Sample ID":"3,3',4,4',5-Pentachlorobiphenyl",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"PCB-126_APPIuL_neg"}
},
{
"Subject ID":"-",
"Sample ID":"2,2′,3,4,4′,5′-Hexachlorobiphenyl",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"APCI_PAHMix2_7V_neg"}
},
{
"Subject ID":"-",
"Sample ID":"2,3,3',4,4',5-Hexachlorobiphenyl",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"PCB-156_APPIuL_neg"}
},
{
"Subject ID":"-",
"Sample ID":"2,3',4,4',5,5'-Hexachlorobiphenyl",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"PCB-167_APPIuL_neg"}
},
{
"Subject ID":"-",
"Sample ID":"3,3',4,4',5,5'-Hexachlorobiphenyl",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"PCB-169_APPIuL_neg"}
},
{
"Subject ID":"-",
"Sample ID":"2,3,3',4,4',5,5'-Heptachlorobiphenyl",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"PCB-189_APPIuL_neg"}
},
{
"Subject ID":"-",
"Sample ID":"2,3,3',4,4',5,6-Heptachlorobiphenyl",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"PCB-190_APPIuL_neg"}
},
{
"Subject ID":"-",
"Sample ID":"2,3,3',4',5,5',6-Heptachlorobiphenyl",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"PCB-193_APPIuL_neg"}
},
{
"Subject ID":"-",
"Sample ID":"2,2',3,3',4,4',5,5'-Octachlorobiphenyl",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"PCB-194_APPIuL_neg"}
},
{
"Subject ID":"-",
"Sample ID":"2,2',3,3',4,4',5,6-Octachlorobiphenyl",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"PCB-195_APPIuL_neg"}
},
{
"Subject ID":"-",
"Sample ID":"2,2',3,3',5,5',6,6'-Octachlorobiphenyl",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"PCB-202_APPIuL_neg"}
},
{
"Subject ID":"-",
"Sample ID":"2,2',3,3',4,4',5,5',6-Nonachlorobiphenyl",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"PCB-206_APPIuL_neg"}
},
{
"Subject ID":"-",
"Sample ID":"2,2',3,3',4,4',5,6,6'-Nonachlorobiphenyl",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"PCB-207_APPIuL_neg"}
},
{
"Subject ID":"-",
"Sample ID":"2,2',3,3',4,5,5',6,6'-Nonachlorobiphenyl",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"PCB-208_APPIuL_neg"}
},
{
"Subject ID":"-",
"Sample ID":"Decachlorobiphenyl",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"APCI_PAHMix4_7V_neg"}
},
{
"Subject ID":"-",
"Sample ID":"4-Hydroxy-2-chlorobiphenyl",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"OHPCB-1002_APCI_CCS_neg"}
},
{
"Subject ID":"-",
"Sample ID":"4-Hydroxy-3-chlorobiphenyl",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"HPCB-1003_APPIuL_Neg"}
},
{
"Subject ID":"-",
"Sample ID":"2-Hydroxy-5-chlorobiphenyl",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"HPCB-1001_APPIuL_Neg"}
},
{
"Subject ID":"-",
"Sample ID":"4-Hydroxy-4'-chlorobiphenyl",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"HPCB-1004_APPIneg"}
},
{
"Subject ID":"-",
"Sample ID":"2-Hydroxy-2',5'-dichlorobiphenyl",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"HPCB-2001_APPIneg"}
},
{
"Subject ID":"-",
"Sample ID":"3-Hydroxy-2',5'-dichlorobiphenyl",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"HPCB-2002_APCI_CCS_neg"}
},
{
"Subject ID":"-",
"Sample ID":"4-Hydroxy-2',5'-dichlorobiphenyl",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"HPCB-2003_APPIuL_Neg"}
},
{
"Subject ID":"-",
"Sample ID":"4-Hydroxy-3,5-dichlorobiphenyl",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"HPCB-2004_APPIuL_Neg"}
},
{
"Subject ID":"-",
"Sample ID":"4-Hydroxy-2,2',5'-trichlorobiphenyl",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"HPCB3004_APCI_CCS_neg"}
},
{
"Subject ID":"-",
"Sample ID":"4-Hydroxy-2',4',6'-trichlorobiphenyl",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"HPCB-3006_APPIuL_Neg"}
},
{
"Subject ID":"-",
"Sample ID":"4-Hydroxy-2,2',4',6'-tetrachlorobiphenyl",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"HPCB4006_APCI_CCS_neg"}
},
{
"Subject ID":"-",
"Sample ID":"4-Hydroxy-2',3',4',5'-tetrachlorobiphenyl",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"HPCB-4007_APPIuL_Neg"}
},
{
"Subject ID":"-",
"Sample ID":"4-Hydroxy-2',3',5',6'-tetrachlorobiphenyl",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"HPCB-4010_APPIuL_Neg"}
},
{
"Subject ID":"-",
"Sample ID":"2-Hydroxy-2',3',4',5,5'-pentachlorobiphenyl",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"HPCB5001_APCI_CCS_neg"}
},
{
"Subject ID":"-",
"Sample ID":"4-Hydroxy-2',3,3',4',5'-pentachlorobiphenyl",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"HPCB-5005_APCI_CCS_neg"}
},
{
"Subject ID":"-",
"Sample ID":"4-Hydroxy-2',3,3',4',5,5'-hexachlorobiphenyl",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"HPCB6001_APCI_CCS_neg"}
},
{
"Subject ID":"-",
"Sample ID":"4-Hydroxy-2',3,3',5,5',6'-hexachlorobiphenyl",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"HPCB-6002_APPIuL_Neg"}
},
{
"Subject ID":"-",
"Sample ID":"5-Hydroxy-2,2',3,4,4',5'-hexachlorobiphenyl",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"HPCB-6003_APPIneg"}
},
{
"Subject ID":"-",
"Sample ID":"4'-Hydroxy-2,2',3,3',4,5,5'-heptachlorobiphenyl",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"HPCB7001_APCI_CCS_neg"}
},
{
"Subject ID":"-",
"Sample ID":"3'-Hydroxy-2,2',3,4,4',5,6'-heptachlorobiphenyl",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"HPCB-7002_APPIneg"}
},
{
"Subject ID":"-",
"Sample ID":"2,2',4-Tribromodiphenyl ether",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"BDE-17_APPIuL_neg"}
},
{
"Subject ID":"-",
"Sample ID":"2,2',4,4'-Tetrabromodiphenyl ether",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"BDE-47_APPIuL_neg"}
},
{
"Subject ID":"-",
"Sample ID":"2,3',4,4'-Tetrabromodiphenyl ether",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"BDE-66_APPIuL_neg"}
},
{
"Subject ID":"-",
"Sample ID":"3,3',4,4'-Tetrabromodiphenyl ether",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"PBDE-77_APPIuL_neg"}
},
{
"Subject ID":"-",
"Sample ID":"2,2',3,4,4'-Pentabromodiphenyl ether",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"PBDE-85_APPIuL_neg"}
},
{
"Subject ID":"-",
"Sample ID":"2,2',4,4’,6-Pentabromodiphenyl ether",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"PBDE-100_APPIuL_neg"}
},
{
"Subject ID":"-",
"Sample ID":"2,3,4,5,6-Pentabromodiphenyl ether",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"BDE-116_APPIuL_neg"}
},
{
"Subject ID":"-",
"Sample ID":"2,2',3,3',4,4'-Hexabromodiphenyl ether",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"PBDE-128_APPIuL_neg"}
},
{
"Subject ID":"-",
"Sample ID":"2,2',3,4,4',5'-Hexabromodiphenyl ether",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"BDE-138_APPIuL_neg"}
},
{
"Subject ID":"-",
"Sample ID":"2,2',4,4’,5,5'-Hexabromodiphenyl ether",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"APCI_PAHMix5_7V_neg"}
},
{
"Subject ID":"-",
"Sample ID":"2,2',4,4',5,6’-Hexabromodiphenyl ether",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"PBDE-154_APPIuL_neg"}
},
{
"Subject ID":"-",
"Sample ID":"2,2',3,4,4’,5',6-Heptabromodiphenyl ether",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"APCI_PAHMix5_7V_neg"}
},
{
"Subject ID":"-",
"Sample ID":"2,3,3',4,4',5,6-Heptabromodiphenyl ether",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"BDE-190_APPIuL_neg"}
},
{
"Subject ID":"-",
"Sample ID":"2,2',3,4,4',5,5'6-Octabromodiphenyl ether",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"BDE-203_APPIuL_neg"}
},
{
"Subject ID":"-",
"Sample ID":"2,2',3,3',4,4',5,5',6-Nonabromodiphenyl ether",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"BDE-206_APPIuL_neg"}
},
{
"Subject ID":"-",
"Sample ID":"Decabromodiphenyl ether",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"BDE-209_APPIuL_neg"}
},
{
"Subject ID":"-",
"Sample ID":"2'-Hydroxy-4-monobromodiphenyl ether",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"HBDE-1001_APPIneg"}
},
{
"Subject ID":"-",
"Sample ID":"3'-Hydroxy-2,4-dibromodiphenyl ether",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"HBDE-2001_APPIneg"}
},
{
"Subject ID":"-",
"Sample ID":"4'-Hydroxy-2,2',4-tribromodiphenyl ether",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"4p-OHBDE-017_APPIuL_Neg"}
},
{
"Subject ID":"-",
"Sample ID":"2'-Hydroxy-2,4,4'-tribromodiphenyl ether",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"HBDE-3003_APPIneg"}
},
{
"Subject ID":"-",
"Sample ID":"4-Hydroxy-2,2',3,4'-tetrabromodiphenyl ether",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"4-OHBDE-042_APPIuL_Neg"}
},
{
"Subject ID":"-",
"Sample ID":"3-Hydroxy-2,2',4,4'-tetrabromodiphenyl ether",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"3-OHBDE-047_APPIuL_Neg"}
},
{
"Subject ID":"-",
"Sample ID":"5-Hydroxy-2,2',4,4'-tetrabromodiphenyl ether",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"5-OHBDE-047_APPIuL_Neg"}
},
{
"Subject ID":"-",
"Sample ID":"6-Hydroxy-2,2',4,4'-tetrabromodiphenyl ether",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"HBDE-4005_APPIneg"}
},
{
"Subject ID":"-",
"Sample ID":"2'-Hydroxy-2,3',4,5'-tetrabromodiphenyl ether",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"2p-OHBDE-068_APPIuL_Neg"}
},
{
"Subject ID":"-",
"Sample ID":"6-Hydroxy-2,2',3,4,4'-pentabromodiphenyl ether",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"6-OHBDE-085_APPIuL_Neg"}
},
{
"Subject ID":"-",
"Sample ID":"5'-Hydroxy-2,2',4,4',5-pentabromodiphenyl ether",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"HBDE-5007_APPIneg"}
},
{
"Subject ID":"-",
"Sample ID":"6'-Hydroxy-2,2',4,4',5-pentabromodiphenyl ether",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"6p-OHBDE-099_APPIuL_Neg"}
},
{
"Subject ID":"-",
"Sample ID":"3-Hydroxy-2,2',4,4',6-pentabromodiphenyl ether",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"3-OHBDE-100_APPIuL_Neg"}
},
{
"Subject ID":"-",
"Sample ID":"4'-Hydroxy-2,2',4,5,5'-pentabromodiphenyl ether",
"Factors":{"Sample Type":"Standard"},
"Additional sample data":{"Sample_id":"3-OHBDE-0101_APPIuL_Neg"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"None","SAMPLE_TYPE":"Synthetic Mixture"},

"TREATMENT":{"TREATMENT_SUMMARY":"None"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Approximately 1 mg of each standard was weighed out in a glass vial and dissolved in 1 mL of solvent. This highly concentrated solution was then diluted with solvent to a 500 µM stock solution. A final solution concentration of 5 µM was prepared by diluting the 500 µM solution with 90:10 methanol:toluene."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Direct inject w/ APPI, APCI ie No Chromatography","CHROMATOGRAPHY_TYPE":"None (Direct infusion)","INSTRUMENT_NAME":"None","COLUMN_NAME":"none"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","SOFTWARE_VERSION":"IM-MS Browser B.08.00"},

"MS":{"MS_COMMENTS":"-","INSTRUMENT_NAME":"Agilent 6560 Ion Mobility","INSTRUMENT_TYPE":"QTOF","MS_TYPE":"APCI","ION_MODE":"NEGATIVE"}

}