{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002159","ANALYSIS_ID":"AN003537","VERSION":"1","CREATED_ON":"May 5, 2022, 6:49 am"},

"PROJECT":{"PROJECT_TITLE":"Marine microbial culture metabolomics","PROJECT_SUMMARY":"Targeted and untargeted metabolomes were generated for a variety of marine microbial taxa including eukaryotic phytoplankton, cyanobacteria, archaea, and heterotrophic bacteria.","INSTITUTE":"University of Washington","DEPARTMENT":"Oceanography","LABORATORY":"Ingalls","LAST_NAME":"Durham","FIRST_NAME":"Bryndan","ADDRESS":"2033 Mowry Rd CGRC 415","EMAIL":"b.durham@ufl.edu","PHONE":"3522946312","FUNDING_SOURCE":"NSF and Simons Foundation","PUBLICATIONS":"Durham et al., Frontiers in Marine Science"},

"STUDY":{"STUDY_TITLE":"Chemotaxonomic patterns in intracellular metabolites of marine microbial plankton","STUDY_SUMMARY":"Targeted and untargeted metabolomes were generated for a variety of marine microbial taxa including eukaryotic phytoplankton, cyanobacteria, archaea, and heterotrophic bacteria. Microbial metabolism generates small organic molecules that reflect both the biochemical and physiological diversity as well as the taxonomic specificity of biological processes. These small molecules serve as the conduit for taxon-specific signaling and exchange. We used liquid chromatography-mass spectrometry (LC-MS)-based metabolomics to taxonomically categorize metabolites that include small molecules in central and secondary metabolism across 42 taxa representing numerically dominant and metabolically important lineages of microbial autotrophs and heterotrophs.","INSTITUTE":"University of Washington","DEPARTMENT":"Oceanography","LABORATORY":"Ingalls","LAST_NAME":"Durham","FIRST_NAME":"Bryndan","ADDRESS":"2033 Mowry Rd., CGRCRm 404","EMAIL":"b.durham@ufl.edu","PHONE":"3522946312"},

"SUBJECT":{"SUBJECT_TYPE":"Cultured cells","SUBJECT_SPECIES":"Marine Plankton"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"Emiliania huxleyi CCMP2090",
"Sample ID":"161107_Smp_2090_A",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"161107_Smp_2090_A"}
},
{
"Subject ID":"Emiliania huxleyi CCMP2090",
"Sample ID":"161107_Smp_2090_B",
"Factors":{"Replicate":"B"},
"Additional sample data":{"RAW_FILE_NAME":"161107_Smp_2090_B"}
},
{
"Subject ID":"Emiliania huxleyi CCMP2090",
"Sample ID":"161107_Smp_2090_C",
"Factors":{"Replicate":"C"},
"Additional sample data":{"RAW_FILE_NAME":"161107_Smp_2090_C"}
},
{
"Subject ID":"Emiliania huxleyi CCMP2090 - media blank",
"Sample ID":"161107_Blk_MediaBlk_DiatomC",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"161107_Blk_MediaBlk_DiatomC"}
},
{
"Subject ID":"Emiliania huxleyi CCMP371",
"Sample ID":"161107_Smp_371_A",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"161107_Smp_371_A"}
},
{
"Subject ID":"Emiliania huxleyi CCMP371",
"Sample ID":"161107_Smp_371_B",
"Factors":{"Replicate":"B"},
"Additional sample data":{"RAW_FILE_NAME":"161107_Smp_371_B"}
},
{
"Subject ID":"Emiliania huxleyi CCMP371",
"Sample ID":"161107_Smp_371_C",
"Factors":{"Replicate":"C"},
"Additional sample data":{"RAW_FILE_NAME":"161107_Smp_371_C"}
},
{
"Subject ID":"Emiliania huxleyi CCMP371 - media blank",
"Sample ID":"161107_Blk_MediaBlk_DiatomYBC",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"161107_Blk_MediaBlk_DiatomYBC"}
},
{
"Subject ID":"Cyclotella meneghiniana CCMP338",
"Sample ID":"161107_Smp_Cy_A",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"161107_Smp_Cy_A"}
},
{
"Subject ID":"Cyclotella meneghiniana CCMP338",
"Sample ID":"161107_Smp_Cy_B",
"Factors":{"Replicate":"B"},
"Additional sample data":{"RAW_FILE_NAME":"161107_Smp_Cy_B"}
},
{
"Subject ID":"Cyclotella meneghiniana CCMP338",
"Sample ID":"161107_Smp_Cy_C",
"Factors":{"Replicate":"C"},
"Additional sample data":{"RAW_FILE_NAME":"161107_Smp_Cy_C"}
},
{
"Subject ID":"Cyclotella meneghiniana CCMP338 - media blank",
"Sample ID":"161107_Blk_MediaBlk_DiatomA",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"161107_Blk_MediaBlk_DiatomA"}
},
{
"Subject ID":"Navicula pelliculosa CCMP543",
"Sample ID":"170213_Smp_Np_A_rerun",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"170213_Smp_Np_A_rerun"}
},
{
"Subject ID":"Navicula pelliculosa CCMP543",
"Sample ID":"170213_Smp_Np_C_rerun",
"Factors":{"Replicate":"B"},
"Additional sample data":{"RAW_FILE_NAME":"170213_Smp_Np_C_rerun"}
},
{
"Subject ID":"Navicula pelliculosa CCMP543",
"Sample ID":"170213_Smp_Np_F",
"Factors":{"Replicate":"C"},
"Additional sample data":{"RAW_FILE_NAME":"170213_Smp_Np_F"}
},
{
"Subject ID":"Navicula and Phaeodactylum and Thalassiosira pseudonana - media blank",
"Sample ID":"161107_Blk_MediaBlk_DiatomZ",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"161107_Blk_MediaBlk_DiatomZ"}
},
{
"Subject ID":"Phaeodactylum tricornutum CCMP2561",
"Sample ID":"170213_Smp_Pt_C",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"170213_Smp_Pt_C"}
},
{
"Subject ID":"Phaeodactylum tricornutum CCMP2561",
"Sample ID":"170213_Smp_Pt_F_rerun",
"Factors":{"Replicate":"F"},
"Additional sample data":{"RAW_FILE_NAME":"170213_Smp_Pt_F_rerun"}
},
{
"Subject ID":"Pseudo-nitzschia pungens Pc55x",
"Sample ID":"170213_Smp_Pcx_A",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"170213_Smp_Pcx_A"}
},
{
"Subject ID":"Pseudo-nitzschia pungens Pc55x",
"Sample ID":"170213_Smp_Pcx_B",
"Factors":{"Replicate":"B"},
"Additional sample data":{"RAW_FILE_NAME":"170213_Smp_Pcx_B"}
},
{
"Subject ID":"Pseudo-nitzschia pungens Pc55x",
"Sample ID":"170213_Smp_Pcx_C",
"Factors":{"Replicate":"C"},
"Additional sample data":{"RAW_FILE_NAME":"170213_Smp_Pcx_C"}
},
{
"Subject ID":"Pseudo-nitzschia pungens Pc55x - media blank",
"Sample ID":"170213_Blk_MediaBlk_Pc55x",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"170213_Blk_MediaBlk_Pc55x"}
},
{
"Subject ID":"Thalassiosira oceanica CCMP1005",
"Sample ID":"161107_Smp_To_A",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"161107_Smp_To_A"}
},
{
"Subject ID":"Thalassiosira oceanica CCMP1005",
"Sample ID":"161107_Smp_To_B",
"Factors":{"Replicate":"B"},
"Additional sample data":{"RAW_FILE_NAME":"161107_Smp_To_B"}
},
{
"Subject ID":"Thalassiosira oceanica CCMP1005",
"Sample ID":"161107_Smp_To_C",
"Factors":{"Replicate":"C"},
"Additional sample data":{"RAW_FILE_NAME":"161107_Smp_To_C"}
},
{
"Subject ID":"Thalassiosira oceanica CCMP1005 - media blank",
"Sample ID":"161107_Blk_MediaBlk_DiatomB",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"161107_Blk_MediaBlk_DiatomB"}
},
{
"Subject ID":"Thalassiosira pseudonana CCMP1335",
"Sample ID":"161107_Smp_Tp_A",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"161107_Smp_Tp_A"}
},
{
"Subject ID":"Thalassiosira pseudonana CCMP1335",
"Sample ID":"161107_Smp_Tp_E",
"Factors":{"Replicate":"E"},
"Additional sample data":{"RAW_FILE_NAME":"161107_Smp_Tp_E"}
},
{
"Subject ID":"Thalassiosira pseudonana CCMP1335",
"Sample ID":"161107_Smp_Tp_F",
"Factors":{"Replicate":"F"},
"Additional sample data":{"RAW_FILE_NAME":"161107_Smp_Tp_F"}
},
{
"Subject ID":"Alexandrium tamarense CCMP1771",
"Sample ID":"170821_Smp_1771_A",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"170821_Smp_1771_A"}
},
{
"Subject ID":"Alexandrium tamarense CCMP1771",
"Sample ID":"170821_Smp_1771_B",
"Factors":{"Replicate":"B"},
"Additional sample data":{"RAW_FILE_NAME":"170821_Smp_1771_B"}
},
{
"Subject ID":"Alexandrium tamarense CCMP1771",
"Sample ID":"170821_Smp_1771_C",
"Factors":{"Replicate":"C"},
"Additional sample data":{"RAW_FILE_NAME":"170821_Smp_1771_C"}
},
{
"Subject ID":"Alexandrium tamarense CCMP1771 - media blank",
"Sample ID":"170821_Blk_FilterBlk_71",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"170821_Blk_FilterBlk_71"}
},
{
"Subject ID":"Amphidinium carterae CCMP1314",
"Sample ID":"170821_Smp_1314_A",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"170821_Smp_1314_A"}
},
{
"Subject ID":"Amphidinium carterae CCMP1314",
"Sample ID":"170821_Smp_1314_B",
"Factors":{"Replicate":"B"},
"Additional sample data":{"RAW_FILE_NAME":"170821_Smp_1314_B"}
},
{
"Subject ID":"Amphidinium carterae CCMP1314",
"Sample ID":"170821_Smp_1314_C",
"Factors":{"Replicate":"C"},
"Additional sample data":{"RAW_FILE_NAME":"170821_Smp_1314_C"}
},
{
"Subject ID":"Amphidinium carterae CCMP1314 - media blank",
"Sample ID":"170821_Blk_FilterBlk_N",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"170821_Blk_FilterBlk_N"}
},
{
"Subject ID":"Heterocapsa triquetra CCMP449",
"Sample ID":"170821_Smp_449_A",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"170821_Smp_449_A"}
},
{
"Subject ID":"Heterocapsa triquetra CCMP449",
"Sample ID":"170821_Smp_449_B",
"Factors":{"Replicate":"B"},
"Additional sample data":{"RAW_FILE_NAME":"170821_Smp_449_B"}
},
{
"Subject ID":"Heterocapsa triquetra CCMP449",
"Sample ID":"170821_Smp_449_C",
"Factors":{"Replicate":"C"},
"Additional sample data":{"RAW_FILE_NAME":"170821_Smp_449_C"}
},
{
"Subject ID":"Heterocapsa triquetra CCMP449 - media blank",
"Sample ID":"170821_Blk_FilterBlk_49",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"170821_Blk_FilterBlk_49"}
},
{
"Subject ID":"Lingulodinium polyedra CCMP2021",
"Sample ID":"170821_Smp_2021_A",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"170821_Smp_2021_A"}
},
{
"Subject ID":"Lingulodinium polyedra CCMP2021",
"Sample ID":"170821_Smp_2021_B",
"Factors":{"Replicate":"B"},
"Additional sample data":{"RAW_FILE_NAME":"170821_Smp_2021_B"}
},
{
"Subject ID":"Lingulodinium polyedra CCMP2021",
"Sample ID":"170821_Smp_2021_C",
"Factors":{"Replicate":"C"},
"Additional sample data":{"RAW_FILE_NAME":"170821_Smp_2021_C"}
},
{
"Subject ID":"Lingulodinium polyedra CCMP2021 - media blank",
"Sample ID":"170821_Blk_FilterBlk_21",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"170821_Blk_FilterBlk_21"}
},
{
"Subject ID":"Micromonas pusilla CCMP1545",
"Sample ID":"170821_Smp_1545_A",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"170821_Smp_1545_A"}
},
{
"Subject ID":"Micromonas pusilla CCMP1545",
"Sample ID":"170821_Smp_1545_B",
"Factors":{"Replicate":"B"},
"Additional sample data":{"RAW_FILE_NAME":"170821_Smp_1545_B"}
},
{
"Subject ID":"Micromonas pusilla CCMP1545",
"Sample ID":"170821_Smp_1545_C",
"Factors":{"Replicate":"C"},
"Additional sample data":{"RAW_FILE_NAME":"170821_Smp_1545_C"}
},
{
"Subject ID":"Micromonas pusilla CCMP1545 - media blank",
"Sample ID":"170821_Blk_FilterBlk_O",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"170821_Blk_FilterBlk_O"}
},
{
"Subject ID":"Ostreococcus lucimarinus CCMP3430",
"Sample ID":"180227_Smp_3430_A",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"180227_Smp_3430_A"}
},
{
"Subject ID":"Ostreococcus lucimarinus CCMP3430",
"Sample ID":"180227_Smp_3430_B",
"Factors":{"Replicate":"B"},
"Additional sample data":{"RAW_FILE_NAME":"180227_Smp_3430_B"}
},
{
"Subject ID":"Ostreococcus lucimarinus CCMP3430",
"Sample ID":"180227_Smp_3430_C",
"Factors":{"Replicate":"C"},
"Additional sample data":{"RAW_FILE_NAME":"180227_Smp_3430_C"}
},
{
"Subject ID":"Crocosphaera watsonii WH8501",
"Sample ID":"161114_Smp_8501_B",
"Factors":{"Replicate":"B"},
"Additional sample data":{"RAW_FILE_NAME":"161114_Smp_8501_B"}
},
{
"Subject ID":"Crocosphaera watsonii WH8501",
"Sample ID":"161114_Smp_8501_C",
"Factors":{"Replicate":"C"},
"Additional sample data":{"RAW_FILE_NAME":"161114_Smp_8501_C"}
},
{
"Subject ID":"Crocosphaera watsonii WH8501",
"Sample ID":"161114_Smp_8501_D",
"Factors":{"Replicate":"D"},
"Additional sample data":{"RAW_FILE_NAME":"161114_Smp_8501_D"}
},
{
"Subject ID":"Crocosphaera watsonii WH8501 - media blank",
"Sample ID":"161114_Blk_MediaBlk_A",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"161114_Blk_MediaBlk_A"}
},
{
"Subject ID":"Prochlorococcus marinus 1314",
"Sample ID":"170821_Smp_1314P_A",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"170821_Smp_1314P_A"}
},
{
"Subject ID":"Prochlorococcus marinus 1314",
"Sample ID":"170821_Smp_1314P_B",
"Factors":{"Replicate":"B"},
"Additional sample data":{"RAW_FILE_NAME":"170821_Smp_1314P_B"}
},
{
"Subject ID":"Prochlorococcus marinus 1314",
"Sample ID":"170821_Smp_1314P_C",
"Factors":{"Replicate":"C"},
"Additional sample data":{"RAW_FILE_NAME":"170821_Smp_1314P_C"}
},
{
"Subject ID":"Prochlorococcus marinus 1314 - media blank",
"Sample ID":"170821_Blk_FilterBlk_1314P",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"170821_Blk_FilterBlk_1314P"}
},
{
"Subject ID":"Prochlorococcus marinus AS9601",
"Sample ID":"170821_Smp_As9601_A",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"170821_Smp_As9601_A"}
},
{
"Subject ID":"Prochlorococcus marinus AS9601",
"Sample ID":"170821_Smp_As9601_B",
"Factors":{"Replicate":"B"},
"Additional sample data":{"RAW_FILE_NAME":"170821_Smp_As9601_B"}
},
{
"Subject ID":"Prochlorococcus marinus AS9601",
"Sample ID":"170821_Smp_As9601_C",
"Factors":{"Replicate":"C"},
"Additional sample data":{"RAW_FILE_NAME":"170821_Smp_As9601_C"}
},
{
"Subject ID":"Prochlorococcus marinus AS9601 - media blank",
"Sample ID":"170821_Blk_FilterBlk_As9601",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"170821_Blk_FilterBlk_As9601"}
},
{
"Subject ID":"Prochlorococcus marinus MED4",
"Sample ID":"161114_Smp_MED4_D",
"Factors":{"Replicate":"D"},
"Additional sample data":{"RAW_FILE_NAME":"161114_Smp_MED4_D"}
},
{
"Subject ID":"Prochlorococcus marinus MED4",
"Sample ID":"161114_Smp_MED4_E",
"Factors":{"Replicate":"E"},
"Additional sample data":{"RAW_FILE_NAME":"161114_Smp_MED4_E"}
},
{
"Subject ID":"Prochlorococcus marinus MED4",
"Sample ID":"161114_Smp_MED4_F",
"Factors":{"Replicate":"F"},
"Additional sample data":{"RAW_FILE_NAME":"161114_Smp_MED4_F"}
},
{
"Subject ID":"Prochlorococcus marinus Natl2A",
"Sample ID":"170821_Smp_Nat_A",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"170821_Smp_Nat_A"}
},
{
"Subject ID":"Prochlorococcus marinus Natl2A",
"Sample ID":"170821_Smp_Nat_B",
"Factors":{"Replicate":"B"},
"Additional sample data":{"RAW_FILE_NAME":"170821_Smp_Nat_B"}
},
{
"Subject ID":"Prochlorococcus marinus Natl2A",
"Sample ID":"170821_Smp_Nat_C",
"Factors":{"Replicate":"C"},
"Additional sample data":{"RAW_FILE_NAME":"170821_Smp_Nat_C"}
},
{
"Subject ID":"Prochlorococcus marinus Natl2A - media blank",
"Sample ID":"170821_Blk_FilterBlk_Nat",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"170821_Blk_FilterBlk_Nat"}
},
{
"Subject ID":"Synechococcus sp. WH7803",
"Sample ID":"161114_Smp_7803_B",
"Factors":{"Replicate":"B"},
"Additional sample data":{"RAW_FILE_NAME":"161114_Smp_7803_B"}
},
{
"Subject ID":"Synechococcus sp. WH7803",
"Sample ID":"161114_Smp_7803_F",
"Factors":{"Replicate":"F"},
"Additional sample data":{"RAW_FILE_NAME":"161114_Smp_7803_F"}
},
{
"Subject ID":"Synechococcus sp. WH8102",
"Sample ID":"161114_Smp_8102_A",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"161114_Smp_8102_A"}
},
{
"Subject ID":"Synechococcus sp. WH8102",
"Sample ID":"161114_Smp_8102_F",
"Factors":{"Replicate":"F"},
"Additional sample data":{"RAW_FILE_NAME":"161114_Smp_8102_F"}
},
{
"Subject ID":"Synechococcus and MED4 - media blank",
"Sample ID":"161114_Blk_MediaBlk_C",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"161114_Blk_MediaBlk_C"}
},
{
"Subject ID":"Croceibacter sp. SA60",
"Sample ID":"161116_Smp_SA60_A",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"161116_Smp_SA60_A"}
},
{
"Subject ID":"Croceibacter sp. SA60",
"Sample ID":"161116_Smp_SA60_B",
"Factors":{"Replicate":"B"},
"Additional sample data":{"RAW_FILE_NAME":"161116_Smp_SA60_B"}
},
{
"Subject ID":"Croceibacter sp. SA60",
"Sample ID":"161116_Smp_SA60_C",
"Factors":{"Replicate":"C"},
"Additional sample data":{"RAW_FILE_NAME":"161116_Smp_SA60_C"}
},
{
"Subject ID":"Hyphomonas sp. SA36",
"Sample ID":"170117_Smp_SA36_A",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"170117_Smp_SA36_A"}
},
{
"Subject ID":"Hyphomonas sp. SA36",
"Sample ID":"170117_Smp_SA36_B",
"Factors":{"Replicate":"B"},
"Additional sample data":{"RAW_FILE_NAME":"170117_Smp_SA36_B"}
},
{
"Subject ID":"Hyphomonas sp. SA36",
"Sample ID":"170117_Smp_SA36_C",
"Factors":{"Replicate":"C"},
"Additional sample data":{"RAW_FILE_NAME":"170117_Smp_SA36_C"}
},
{
"Subject ID":"Limnobacter sp. SA59",
"Sample ID":"161116_Smp_SA59_A",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"161116_Smp_SA59_A"}
},
{
"Subject ID":"Limnobacter sp. SA59",
"Sample ID":"161116_Smp_SA59_B",
"Factors":{"Replicate":"B"},
"Additional sample data":{"RAW_FILE_NAME":"161116_Smp_SA59_B"}
},
{
"Subject ID":"Limnobacter sp. SA59",
"Sample ID":"161116_Smp_SA59_C",
"Factors":{"Replicate":"C"},
"Additional sample data":{"RAW_FILE_NAME":"161116_Smp_SA59_C"}
},
{
"Subject ID":"Marinobacter sp. SA55",
"Sample ID":"170213_Smp_SA55_A_rerun",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"170213_Smp_SA55_A_rerun"}
},
{
"Subject ID":"Marinobacter sp. SA55",
"Sample ID":"170213_Smp_SA55_B_rerun",
"Factors":{"Replicate":"B"},
"Additional sample data":{"RAW_FILE_NAME":"170213_Smp_SA55_B_rerun"}
},
{
"Subject ID":"Marinobacter sp. SA55",
"Sample ID":"170213_Smp_SA55_C_rerun",
"Factors":{"Replicate":"C"},
"Additional sample data":{"RAW_FILE_NAME":"170213_Smp_SA55_C_rerun"}
},
{
"Subject ID":"Pseudoalteromonas sp. SA7",
"Sample ID":"170213_Smp_SA7_A_rerun",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"170213_Smp_SA7_A_rerun"}
},
{
"Subject ID":"Pseudoalteromonas sp. SA7",
"Sample ID":"170213_Smp_SA7_B_rerun",
"Factors":{"Replicate":"B"},
"Additional sample data":{"RAW_FILE_NAME":"170213_Smp_SA7_B_rerun"}
},
{
"Subject ID":"Pseudoalteromonas sp. SA7",
"Sample ID":"170213_Smp_SA7_C_rerun",
"Factors":{"Replicate":"C"},
"Additional sample data":{"RAW_FILE_NAME":"170213_Smp_SA7_C_rerun"}
},
{
"Subject ID":"Bacteria - media blank",
"Sample ID":"170213_Blk_MediaBlk_B",
"Factors":{"Replicate":"B"},
"Additional sample data":{"RAW_FILE_NAME":"170213_Blk_MediaBlk_B"}
},
{
"Subject ID":"Roseobacter denitrifcans Och 114",
"Sample ID":"170117_Smp_Och_A",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"170117_Smp_Och_A"}
},
{
"Subject ID":"Roseobacter denitrifcans Och 114",
"Sample ID":"170117_Smp_Och_B",
"Factors":{"Replicate":"B"},
"Additional sample data":{"RAW_FILE_NAME":"170117_Smp_Och_B"}
},
{
"Subject ID":"Roseobacter denitrifcans Och 114",
"Sample ID":"170117_Smp_Och_C",
"Factors":{"Replicate":"C"},
"Additional sample data":{"RAW_FILE_NAME":"170117_Smp_Och_C"}
},
{
"Subject ID":"Roseovarius sp. SA33",
"Sample ID":"161107_Smp_SA33_A",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"161107_Smp_SA33_A"}
},
{
"Subject ID":"Roseovarius sp. SA33",
"Sample ID":"161107_Smp_SA33_B",
"Factors":{"Replicate":"B"},
"Additional sample data":{"RAW_FILE_NAME":"161107_Smp_SA33_B"}
},
{
"Subject ID":"Roseovarius sp. SA33",
"Sample ID":"161107_Smp_SA33_C",
"Factors":{"Replicate":"C"},
"Additional sample data":{"RAW_FILE_NAME":"161107_Smp_SA33_C"}
},
{
"Subject ID":"Ruegeria pomeroyi DSS-3",
"Sample ID":"170117_Smp_DSS3_A",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"170117_Smp_DSS3_A"}
},
{
"Subject ID":"Ruegeria pomeroyi DSS-3",
"Sample ID":"170117_Smp_DSS3_B",
"Factors":{"Replicate":"B"},
"Additional sample data":{"RAW_FILE_NAME":"170117_Smp_DSS3_B"}
},
{
"Subject ID":"Ruegeria pomeroyi DSS-3",
"Sample ID":"170117_Smp_DSS3_C",
"Factors":{"Replicate":"C"},
"Additional sample data":{"RAW_FILE_NAME":"170117_Smp_DSS3_C"}
},
{
"Subject ID":"Sulfitobacter sp. SA11",
"Sample ID":"170117_Smp_SA11_A",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"170117_Smp_SA11_A"}
},
{
"Subject ID":"Sulfitobacter sp. SA11",
"Sample ID":"170117_Smp_SA11_B",
"Factors":{"Replicate":"B"},
"Additional sample data":{"RAW_FILE_NAME":"170117_Smp_SA11_B"}
},
{
"Subject ID":"Sulfitobacter sp. SA11",
"Sample ID":"170117_Smp_SA11_C",
"Factors":{"Replicate":"C"},
"Additional sample data":{"RAW_FILE_NAME":"170117_Smp_SA11_C"}
},
{
"Subject ID":"Sulfitobacter sp. SA16",
"Sample ID":"161116_Smp_SA16_A",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"161116_Smp_SA16_A"}
},
{
"Subject ID":"Sulfitobacter sp. SA16",
"Sample ID":"161116_Smp_SA16_B",
"Factors":{"Replicate":"B"},
"Additional sample data":{"RAW_FILE_NAME":"161116_Smp_SA16_B"}
},
{
"Subject ID":"Sulfitobacter sp. SA16",
"Sample ID":"161116_Smp_SA16_C",
"Factors":{"Replicate":"C"},
"Additional sample data":{"RAW_FILE_NAME":"161116_Smp_SA16_C"}
},
{
"Subject ID":"Sulfitobacter sp. SA30",
"Sample ID":"161107_Smp_SA30_A",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"161107_Smp_SA30_A"}
},
{
"Subject ID":"Sulfitobacter sp. SA30",
"Sample ID":"161107_Smp_SA30_B",
"Factors":{"Replicate":"B"},
"Additional sample data":{"RAW_FILE_NAME":"161107_Smp_SA30_B"}
},
{
"Subject ID":"Sulfitobacter sp. SA30",
"Sample ID":"161107_Smp_SA30_C",
"Factors":{"Replicate":"C"},
"Additional sample data":{"RAW_FILE_NAME":"161107_Smp_SA30_C"}
},
{
"Subject ID":"Sulfitobacter sp. SA44",
"Sample ID":"170117_Smp_SA44_B",
"Factors":{"Replicate":"B"},
"Additional sample data":{"RAW_FILE_NAME":"170117_Smp_SA44_B"}
},
{
"Subject ID":"Sulfitobacter sp. SA44",
"Sample ID":"170117_Smp_SA44_C",
"Factors":{"Replicate":"C"},
"Additional sample data":{"RAW_FILE_NAME":"170117_Smp_SA44_C"}
},
{
"Subject ID":"Sulfitobacter sp. SA48",
"Sample ID":"170117_Smp_SA48_A",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"170117_Smp_SA48_A"}
},
{
"Subject ID":"Sulfitobacter sp. SA48",
"Sample ID":"170117_Smp_SA48_B",
"Factors":{"Replicate":"B"},
"Additional sample data":{"RAW_FILE_NAME":"170117_Smp_SA48_B"}
},
{
"Subject ID":"Sulfitobacter sp. SA48",
"Sample ID":"170117_Smp_SA48_C",
"Factors":{"Replicate":"C"},
"Additional sample data":{"RAW_FILE_NAME":"170117_Smp_SA48_C"}
},
{
"Subject ID":"Sulfitobacter sp. SA53",
"Sample ID":"170117_Smp_SA53_A",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"170117_Smp_SA53_A"}
},
{
"Subject ID":"Sulfitobacter sp. SA53",
"Sample ID":"170117_Smp_SA53_B",
"Factors":{"Replicate":"B"},
"Additional sample data":{"RAW_FILE_NAME":"170117_Smp_SA53_B"}
},
{
"Subject ID":"Sulfitobacter sp. SA53",
"Sample ID":"170117_Smp_SA53_C",
"Factors":{"Replicate":"C"},
"Additional sample data":{"RAW_FILE_NAME":"170117_Smp_SA53_C"}
},
{
"Subject ID":"Thalassospira sp. SA42",
"Sample ID":"161116_Smp_SA42_A",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"161116_Smp_SA42_A"}
},
{
"Subject ID":"Thalassospira sp. SA42",
"Sample ID":"161107_Smp_SA42_B",
"Factors":{"Replicate":"B"},
"Additional sample data":{"RAW_FILE_NAME":"161107_Smp_SA42_B"}
},
{
"Subject ID":"Thalassospira sp. SA42",
"Sample ID":"161107_Smp_SA42_C",
"Factors":{"Replicate":"C"},
"Additional sample data":{"RAW_FILE_NAME":"161107_Smp_SA42_C"}
},
{
"Subject ID":"Bacteria - media blank",
"Sample ID":"170117_Blk_MediaBlk_A",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"170117_Blk_MediaBlk_A"}
},
{
"Subject ID":"Bacteria - media blank",
"Sample ID":"161116_Blk_MediaBlk_B",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"161116_Blk_MediaBlk_B"}
},
{
"Subject ID":"Bacteria - media blank",
"Sample ID":"161107_Blk_MediaBlk_A",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"161107_Blk_MediaBlk_A"}
},
{
"Subject ID":"Chrysochromulina acantha",
"Sample ID":"180227_Smp_Ca_A",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"180227_Smp_Ca_A"}
},
{
"Subject ID":"Chrysochromulina acantha",
"Sample ID":"180227_Smp_Ca_B",
"Factors":{"Replicate":"B"},
"Additional sample data":{"RAW_FILE_NAME":"180227_Smp_Ca_B"}
},
{
"Subject ID":"Chrysochromulina acantha",
"Sample ID":"180227_Smp_Ca_C",
"Factors":{"Replicate":"C"},
"Additional sample data":{"RAW_FILE_NAME":"180227_Smp_Ca_C"}
},
{
"Subject ID":"Chrysochromulina rotalis",
"Sample ID":"180227_Smp_Cr_A",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"180227_Smp_Cr_A"}
},
{
"Subject ID":"Chrysochromulina rotalis",
"Sample ID":"180227_Smp_Cr_B",
"Factors":{"Replicate":"B"},
"Additional sample data":{"RAW_FILE_NAME":"180227_Smp_Cr_B"}
},
{
"Subject ID":"Chrysochromulina rotalis",
"Sample ID":"180227_Smp_Cr_C",
"Factors":{"Replicate":"C"},
"Additional sample data":{"RAW_FILE_NAME":"180227_Smp_Cr_C"}
},
{
"Subject ID":"Chrysochromulina simplex",
"Sample ID":"180227_Smp_Cs_A",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"180227_Smp_Cs_A"}
},
{
"Subject ID":"Chrysochromulina simplex",
"Sample ID":"180227_Smp_Cs_B",
"Factors":{"Replicate":"B"},
"Additional sample data":{"RAW_FILE_NAME":"180227_Smp_Cs_B"}
},
{
"Subject ID":"Chrysochromulina simplex",
"Sample ID":"180227_Smp_Cs_C",
"Factors":{"Replicate":"C"},
"Additional sample data":{"RAW_FILE_NAME":"180227_Smp_Cs_C"}
},
{
"Subject ID":"Chrysochromulina tobinii Cattolico",
"Sample ID":"180227_Smp_P3_A",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"180227_Smp_P3_A"}
},
{
"Subject ID":"Chrysochromulina tobinii Cattolico",
"Sample ID":"180227_Smp_P3_B",
"Factors":{"Replicate":"B"},
"Additional sample data":{"RAW_FILE_NAME":"180227_Smp_P3_B"}
},
{
"Subject ID":"Chrysochromulina tobinii Cattolico",
"Sample ID":"180227_Smp_P3_C",
"Factors":{"Replicate":"C"},
"Additional sample data":{"RAW_FILE_NAME":"180227_Smp_P3_C"}
},
{
"Subject ID":"Chrysochromulina parva Lackey",
"Sample ID":"180227_Smp_116-1_A",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"180227_Smp_116-1_A"}
},
{
"Subject ID":"Chrysochromulina parva Lackey",
"Sample ID":"180227_Smp_116-1_B",
"Factors":{"Replicate":"B"},
"Additional sample data":{"RAW_FILE_NAME":"180227_Smp_116-1_B"}
},
{
"Subject ID":"Chrysochromulina parva Lackey",
"Sample ID":"180227_Smp_116-1_C",
"Factors":{"Replicate":"C"},
"Additional sample data":{"RAW_FILE_NAME":"180227_Smp_116-1_C"}
},
{
"Subject ID":"Chrysochromulina - media blank",
"Sample ID":"180227_Blk_MediaBlk_LInoSi",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"180227_Blk_MediaBlk_LInoSi"}
},
{
"Subject ID":"Chrysochromulina - media blank",
"Sample ID":"180227_Blk_MediaBlk_RAC5",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"180227_Blk_MediaBlk_RAC5"}
},
{
"Subject ID":"Nitrosopumilus maritimus SCM1",
"Sample ID":"180130_Smp_Exp_1",
"Factors":{"Replicate":"1"},
"Additional sample data":{"RAW_FILE_NAME":"180130_Smp_Exp_1"}
},
{
"Subject ID":"Nitrosopumilus maritimus SCM1",
"Sample ID":"180130_Smp_Exp_2",
"Factors":{"Replicate":"2"},
"Additional sample data":{"RAW_FILE_NAME":"180130_Smp_Exp_2"}
},
{
"Subject ID":"Nitrosopumilus maritimus SCM1",
"Sample ID":"180130_Smp_Exp_3",
"Factors":{"Replicate":"3"},
"Additional sample data":{"RAW_FILE_NAME":"180130_Smp_Exp_3"}
},
{
"Subject ID":"Nitrosopumilus maritimus SCM1 - media blank",
"Sample ID":"180130_Blk_MediaBlk_1",
"Factors":{"Replicate":"1"},
"Additional sample data":{"RAW_FILE_NAME":"180130_Blk_MediaBlk_1"}
},
{
"Subject ID":"Thalassiosira pseudonana CCMP1335",
"Sample ID":"170821_Smp_Tp10_A",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"170821_Smp_Tp10_A"}
},
{
"Subject ID":"Thalassiosira pseudonana CCMP1335",
"Sample ID":"170821_Smp_Tp10_B",
"Factors":{"Replicate":"B"},
"Additional sample data":{"RAW_FILE_NAME":"170821_Smp_Tp10_B"}
},
{
"Subject ID":"Thalassiosira pseudonana CCMP1335",
"Sample ID":"170821_Smp_Tp10_C",
"Factors":{"Replicate":"C"},
"Additional sample data":{"RAW_FILE_NAME":"170821_Smp_Tp10_C"}
},
{
"Subject ID":"Thalassiosira pseudonana CCMP1335",
"Sample ID":"170821_Smp_Tp28_A",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"170821_Smp_Tp28_A"}
},
{
"Subject ID":"Thalassiosira pseudonana CCMP1335",
"Sample ID":"170821_Smp_Tp28_B",
"Factors":{"Replicate":"B"},
"Additional sample data":{"RAW_FILE_NAME":"170821_Smp_Tp28_B"}
},
{
"Subject ID":"Thalassiosira pseudonana CCMP1335",
"Sample ID":"170821_Smp_Tp28_C",
"Factors":{"Replicate":"C"},
"Additional sample data":{"RAW_FILE_NAME":"170821_Smp_Tp28_C"}
},
{
"Subject ID":"Thalassiosira pseudonana CCMP1335",
"Sample ID":"170821_Smp_Tp35_A",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"170821_Smp_Tp35_A"}
},
{
"Subject ID":"Thalassiosira pseudonana CCMP1335",
"Sample ID":"170821_Smp_Tp35_B",
"Factors":{"Replicate":"B"},
"Additional sample data":{"RAW_FILE_NAME":"170821_Smp_Tp35_B"}
},
{
"Subject ID":"Thalassiosira pseudonana CCMP1335",
"Sample ID":"170821_Smp_Tp35_C",
"Factors":{"Replicate":"C"},
"Additional sample data":{"RAW_FILE_NAME":"170821_Smp_Tp35_C"}
},
{
"Subject ID":"Thalassiosira pseudonana CCMP1335 - media blank",
"Sample ID":"170821_Blk_FilterBlk_Tp10",
"Factors":{"Replicate":"A"},
"Additional sample data":{"RAW_FILE_NAME":"170821_Blk_FilterBlk_Tp10"}
},
{
"Subject ID":"Thalassiosira pseudonana CCMP1335 - media blank",
"Sample ID":"170821_Blk_FilterBlk_Tp28",
"Factors":{"Replicate":"B"},
"Additional sample data":{"RAW_FILE_NAME":"170821_Blk_FilterBlk_Tp28"}
},
{
"Subject ID":"Thalassiosira pseudonana CCMP1335 - media blank",
"Sample ID":"170821_Blk_FilterBlk_Tp35",
"Factors":{"Replicate":"C"},
"Additional sample data":{"RAW_FILE_NAME":"170821_Blk_FilterBlk_Tp35"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Cultured marine plankton cells grown to mid-to-late exponential phase were filtered onto 0.2-micron durapore filters and extracted for metabolites according to extraction protocol.","SAMPLE_TYPE":"Plankton cells"},

"TREATMENT":{"TREATMENT_SUMMARY":"Marine plankton were cultured according to standard protocols."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Marine plankton cells were extracted using the described protocols. Each sample was extracted using a modified Bligh-Dyer extraction. Briefly, filters were cut up and split between two bead beating tubes containing a mixture of 100 µm and 400 µm silica beads. Heavy isotope-labeled internal standards were added along with 750 µL of cold aqueous solved (50:50 methanol:water) and 750 µL of cold organic solvent (dichloromethane). The samples were shaken on a FastPrep-24 Homogenizer for 30 seconds and chilled in a -20 ∞C freezer repeatedly for three cycles of beadbeating and a total of 30 minutes of chilling. The organic and aqueous layers were separated by spinning samples in a microcentrifuge at 5,000 rpm for 90 seconds at 4 ∞C. The aqueous layer was removed to a new glass centrifuge tube. The remaining organic fraction was rinsed three more times with additions of 750 µL of 50:50 methanol:water. All aqueous rinses were combined for each sample and dried down under N2 gas. The remaining organic layer was transferred into a clean glass centrifuge tube and the remaining bead beating tube was rinsed two more times with cold organic solvent. The combined organic rinses were centrifuged, transferred to a new tube, and dried under N2 gas. Dried aqueous fractions were re-dissolved in 380 µL of water. Dried organic fractions were re-dissolved in 380 µL of 1:1 water:acetonitrile. 20 µL of isotope-labeled injection standards in water were added to both fractions. Blank filters were extracted alongside samples as methodological blanks.","SAMPLEPREP_PROTOCOL_FILENAME":"SP_Ingalls_extraction_protocol.pdf"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"For HILIC chromatography, a SeQuant ZIC-pHILIC column (5 µm particle size, 2.1 mm x 150 mm, from Millipore) was used with 10 mM ammonium carbonate in 85:15 acetonitrile to water (Solvent A) and 10 mM ammonium carbonate in 60:40 water to acetonitrile (Solvent B) at a flow rate of 0.15 mL/min.","CHROMATOGRAPHY_TYPE":"HILIC","INSTRUMENT_NAME":"Waters Acquity I-Class","COLUMN_NAME":"SeQuant ZIC- pHILIC (150 x 2.1mm, 5um)","METHODS_FILENAME":"CH_Ingalls_LC_protocol.pdf"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","ANALYSIS_PROTOCOL_FILE":"Ingalls_Metabolomics_MS_Parameters_2015.txt"},

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive HF hybrid Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","MS_COMMENTS":"MS acquisition according to attached protocol."},

"MS_METABOLITE_DATA":{
"Units":"presence (1), absence (0), or background level (NA)",

"Data":[{"Metabolite":"Sucrose-HILIC","170821_Smp_1314_A":"NA","170821_Smp_1314_B":"NA","170821_Smp_1314_C":"NA","170821_Smp_1545_A":"0","170821_Smp_1545_B":"0","170821_Smp_1545_C":"0","180130_Smp_Exp_1":"NA","180130_Smp_Exp_2":"NA","180130_Smp_Exp_3":"NA","161107_Smp_SA30_A":"0","161107_Smp_SA30_B":"0","161107_Smp_SA30_C":"0","161116_Smp_SA42_A":"0","161107_Smp_SA42_B":"0","161107_Smp_SA42_C":"0","161107_Smp_SA33_A":"0","161107_Smp_SA33_B":"0","161107_Smp_SA33_C":"0","161116_Smp_SA59_A":"0","161116_Smp_SA59_B":"0","161116_Smp_SA59_C":"0","161116_Smp_SA60_A":"NA","161116_Smp_SA60_B":"NA","161116_Smp_SA60_C":"NA","161116_Smp_SA16_A":"0","161116_Smp_SA16_B":"0","161116_Smp_SA16_C":"0","170117_Smp_SA44_B":"0","170117_Smp_SA44_C":"0","170117_Smp_SA36_A":"NA","170117_Smp_SA36_B":"NA","170117_Smp_SA36_C":"NA","170117_Smp_SA48_A":"0","170117_Smp_SA48_B":"0","170117_Smp_SA48_C":"0","170117_Smp_SA53_A":"NA","170117_Smp_SA53_B":"NA","170117_Smp_SA53_C":"NA","170117_Smp_SA11_A":"0","170117_Smp_SA11_B":"1","170117_Smp_SA11_C":"0","170117_Smp_DSS3_A":"NA","170117_Smp_DSS3_B":"NA","170117_Smp_DSS3_C":"NA","170117_Smp_Och_A":"NA","170117_Smp_Och_B":"NA","170117_Smp_Och_C":"NA","161114_Smp_7803_B":"1","161114_Smp_7803_F":"1","161114_Smp_8501_B":"0","161114_Smp_8501_C":"0","161114_Smp_8501_D":"0","161114_Smp_8102_A":"1","161114_Smp_8102_F":"1","161114_Smp_MED4_D":"1","161114_Smp_MED4_E":"1","161114_Smp_MED4_F":"1","170821_Smp_1314P_A":"1","170821_Smp_1314P_B":"1","170821_Smp_1314P_C":"1","170821_Smp_Nat_A":"1","170821_Smp_Nat_B":"1","170821_Smp_Nat_C":"1","170821_Smp_As9601_A":"1","170821_Smp_As9601_B":"1","170821_Smp_As9601_C":"1","161107_Smp_To_A":"0","161107_Smp_To_B":"0","161107_Smp_To_C":"0","161107_Smp_2090_A":"0","161107_Smp_2090_B":"0","161107_Smp_2090_C":"0","161107_Smp_Cy_A":"1","161107_Smp_Cy_B":"1","161107_Smp_Cy_C":"1","161107_Smp_Tp_A":"1","161107_Smp_Tp_E":"1","161107_Smp_Tp_F":"1","161107_Smp_371_A":"0","161107_Smp_371_B":"0","161107_Smp_371_C":"0","170213_Smp_Np_A_rerun":"1","170213_Smp_Np_C_rerun":"1","170213_Smp_Np_F":"1","170213_Smp_Pt_C":"1","170213_Smp_Pt_F_rerun":"1","170213_Smp_Pcx_A":"1","170213_Smp_Pcx_B":"1","170213_Smp_Pcx_C":"1","170821_Smp_449_A":"0","170821_Smp_449_B":"0","170821_Smp_449_C":"0","170821_Smp_1771_A":"NA","170821_Smp_1771_B":"NA","170821_Smp_1771_C":"NA","170821_Smp_2021_A":"0","170821_Smp_2021_B":"0","170821_Smp_2021_C":"0","180227_Smp_116-1_A":"NA","180227_Smp_116-1_B":"NA","180227_Smp_116-1_C":"NA","180227_Smp_Ca_A":"NA","180227_Smp_Ca_B":"NA","180227_Smp_Ca_C":"NA","180227_Smp_Cr_A":"NA","180227_Smp_Cr_B":"NA","180227_Smp_Cr_C":"NA","180227_Smp_Cs_A":"NA","180227_Smp_Cs_B":"NA","180227_Smp_Cs_C":"NA","180227_Smp_P3_A":"NA","180227_Smp_P3_B":"NA","180227_Smp_P3_C":"NA","180227_Smp_3430_A":"NA","180227_Smp_3430_B":"NA","180227_Smp_3430_C":"NA","170213_Smp_SA55_A_rerun":"0","170213_Smp_SA55_B_rerun":"0","170213_Smp_SA55_C_rerun":"0","170213_Smp_SA7_A_rerun":"0","170213_Smp_SA7_B_rerun":"0","170213_Smp_SA7_C_rerun":"0","170821_Smp_Tp10_A":"0","170821_Smp_Tp10_B":"0","170821_Smp_Tp10_C":"0","170821_Smp_Tp28_A":"NA","170821_Smp_Tp28_B":"NA","170821_Smp_Tp28_C":"NA","170821_Smp_Tp35_A":"0","170821_Smp_Tp35_B":"0","170821_Smp_Tp35_C":"0","161107_Blk_MediaBlk_DiatomC":"NA","161107_Blk_MediaBlk_DiatomYBC":"NA","161107_Blk_MediaBlk_DiatomA":"NA","161107_Blk_MediaBlk_DiatomZ":"NA","170213_Blk_MediaBlk_Pc55x":"NA","161107_Blk_MediaBlk_DiatomB":"NA","170821_Blk_FilterBlk_71":"NA","170821_Blk_FilterBlk_N":"NA","170821_Blk_FilterBlk_49":"NA","170821_Blk_FilterBlk_21":"NA","170821_Blk_FilterBlk_O":"NA","161114_Blk_MediaBlk_A":"NA","170821_Blk_FilterBlk_1314P":"NA","170821_Blk_FilterBlk_As9601":"NA","170821_Blk_FilterBlk_Nat":"NA","161114_Blk_MediaBlk_C":"NA","170213_Blk_MediaBlk_B":"NA","170117_Blk_MediaBlk_A":"NA","161116_Blk_MediaBlk_B":"NA","161107_Blk_MediaBlk_A":"NA","180227_Blk_MediaBlk_LInoSi":"NA","180227_Blk_MediaBlk_RAC5":"NA","180130_Blk_MediaBlk_1":"NA","170821_Blk_FilterBlk_Tp10":"NA","170821_Blk_FilterBlk_Tp28":"NA","170821_Blk_FilterBlk_Tp35":"NA"},{"Metabolite":"Phosphoglyceric Acid-HILIC","170821_Smp_1314_A":"0","170821_Smp_1314_B":"0","170821_Smp_1314_C":"0","170821_Smp_1545_A":"1","170821_Smp_1545_B":"1","170821_Smp_1545_C":"1","180130_Smp_Exp_1":"1","180130_Smp_Exp_2":"1","180130_Smp_Exp_3":"1","161107_Smp_SA30_A":"1","161107_Smp_SA30_B":"1","161107_Smp_SA30_C":"1","161116_Smp_SA42_A":"0","161107_Smp_SA42_B":"0","161107_Smp_SA42_C":"0","161107_Smp_SA33_A":"1","161107_Smp_SA33_B":"1","161107_Smp_SA33_C":"1","161116_Smp_SA59_A":"1","161116_Smp_SA59_B":"1","161116_Smp_SA59_C":"1","161116_Smp_SA60_A":"1","161116_Smp_SA60_B":"1","161116_Smp_SA60_C":"1","161116_Smp_SA16_A":"0","161116_Smp_SA16_B":"0","161116_Smp_SA16_C":"0","170117_Smp_SA44_B":"1","170117_Smp_SA44_C":"1","170117_Smp_SA36_A":"NA","170117_Smp_SA36_B":"NA","170117_Smp_SA36_C":"NA","170117_Smp_SA48_A":"1","170117_Smp_SA48_B":"1","170117_Smp_SA48_C":"1","170117_Smp_SA53_A":"1","170117_Smp_SA53_B":"1","170117_Smp_SA53_C":"1","170117_Smp_SA11_A":"0","170117_Smp_SA11_B":"0","170117_Smp_SA11_C":"0","170117_Smp_DSS3_A":"0","170117_Smp_DSS3_B":"0","170117_Smp_DSS3_C":"0","170117_Smp_Och_A":"0","170117_Smp_Och_B":"0","170117_Smp_Och_C":"0","161114_Smp_7803_B":"0","161114_Smp_7803_F":"0","161114_Smp_8501_B":"0","161114_Smp_8501_C":"0","161114_Smp_8501_D":"0","161114_Smp_8102_A":"0","161114_Smp_8102_F":"0","161114_Smp_MED4_D":"0","161114_Smp_MED4_E":"0","161114_Smp_MED4_F":"0","170821_Smp_1314P_A":"0","170821_Smp_1314P_B":"0","170821_Smp_1314P_C":"0","170821_Smp_Nat_A":"0","170821_Smp_Nat_B":"0","170821_Smp_Nat_C":"0","170821_Smp_As9601_A":"0","170821_Smp_As9601_B":"0","170821_Smp_As9601_C":"0","161107_Smp_To_A":"1","161107_Smp_To_B":"1","161107_Smp_To_C":"1","161107_Smp_2090_A":"0","161107_Smp_2090_B":"0","161107_Smp_2090_C":"0","161107_Smp_Cy_A":"1","161107_Smp_Cy_B":"1","161107_Smp_Cy_C":"1","161107_Smp_Tp_A":"0","161107_Smp_Tp_E":"0","161107_Smp_Tp_F":"0","161107_Smp_371_A":"0","161107_Smp_371_B":"0","161107_Smp_371_C":"0","170213_Smp_Np_A_rerun":"0","170213_Smp_Np_C_rerun":"0","170213_Smp_Np_F":"1","170213_Smp_Pt_C":"NA","170213_Smp_Pt_F_rerun":"NA","170213_Smp_Pcx_A":"1","170213_Smp_Pcx_B":"1","170213_Smp_Pcx_C":"1","170821_Smp_449_A":"0","170821_Smp_449_B":"0","170821_Smp_449_C":"0","170821_Smp_1771_A":"0","170821_Smp_1771_B":"0","170821_Smp_1771_C":"0","170821_Smp_2021_A":"0","170821_Smp_2021_B":"0","170821_Smp_2021_C":"0","180227_Smp_116-1_A":"NA","180227_Smp_116-1_B":"NA","180227_Smp_116-1_C":"NA","180227_Smp_Ca_A":"0","180227_Smp_Ca_B":"0","180227_Smp_Ca_C":"0","180227_Smp_Cr_A":"0","180227_Smp_Cr_B":"0","180227_Smp_Cr_C":"0","180227_Smp_Cs_A":"NA","180227_Smp_Cs_B":"NA","180227_Smp_Cs_C":"NA","180227_Smp_P3_A":"NA","180227_Smp_P3_B":"NA","180227_Smp_P3_C":"NA","180227_Smp_3430_A":"0","180227_Smp_3430_B":"0","180227_Smp_3430_C":"0","170213_Smp_SA55_A_rerun":"0","170213_Smp_SA55_B_rerun":"0","170213_Smp_SA55_C_rerun":"0","170213_Smp_SA7_A_rerun":"0","170213_Smp_SA7_B_rerun":"0","170213_Smp_SA7_C_rerun":"0","170821_Smp_Tp10_A":"0","170821_Smp_Tp10_B":"0","170821_Smp_Tp10_C":"0","170821_Smp_Tp28_A":"0","170821_Smp_Tp28_B":"0","170821_Smp_Tp28_C":"0","170821_Smp_Tp35_A":"0","170821_Smp_Tp35_B":"0","170821_Smp_Tp35_C":"0","161107_Blk_MediaBlk_DiatomC":"NA","161107_Blk_MediaBlk_DiatomYBC":"NA","161107_Blk_MediaBlk_DiatomA":"NA","161107_Blk_MediaBlk_DiatomZ":"NA","170213_Blk_MediaBlk_Pc55x":"NA","161107_Blk_MediaBlk_DiatomB":"NA","170821_Blk_FilterBlk_71":"NA","170821_Blk_FilterBlk_N":"NA","170821_Blk_FilterBlk_49":"NA","170821_Blk_FilterBlk_21":"NA","170821_Blk_FilterBlk_O":"NA","161114_Blk_MediaBlk_A":"NA","170821_Blk_FilterBlk_1314P":"NA","170821_Blk_FilterBlk_As9601":"NA","170821_Blk_FilterBlk_Nat":"NA","161114_Blk_MediaBlk_C":"NA","170213_Blk_MediaBlk_B":"NA","170117_Blk_MediaBlk_A":"NA","161116_Blk_MediaBlk_B":"NA","161107_Blk_MediaBlk_A":"NA","180227_Blk_MediaBlk_LInoSi":"NA","180227_Blk_MediaBlk_RAC5":"NA","180130_Blk_MediaBlk_1":"NA","170821_Blk_FilterBlk_Tp10":"NA","170821_Blk_FilterBlk_Tp28":"NA","170821_Blk_FilterBlk_Tp35":"NA"}],

"Metabolites":[{"Metabolite":"Sucrose-HILIC","Formula":"C12H22O11"},{"Metabolite":"Phosphoglyceric Acid-HILIC","Formula":"C3H7O7P"}]
}

}