{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002790","ANALYSIS_ID":"AN004540","VERSION":"1","CREATED_ON":"July 21, 2023, 9:50 am"},

"PROJECT":{"PROJECT_TITLE":"Community metabolomes reflect taxon-specific fingerprints of phytoplankton in the ocean","PROJECT_TYPE":"Marine Metabolomics","PROJECT_SUMMARY":"Phytoplankton transform inorganic carbon into thousands of biomolecules, including polar metabolites that represent an important pool of labile fixed carbon, nitrogen, and sulfur. Metabolite production is not identical among phytoplankton, and the flux of these molecules through the microbial loop depends on compound-specific bioavailability to a wider microbial community. Yet relatively little is known about the diversity or concentration of polar metabolites within marine plankton. Here we evaluate 313 metabolites in 21 phytoplankton species and in natural marine particles across environmental gradients to show that bulk community metabolomes reflect the phytoplankton community on a chemical level.","INSTITUTE":"University of Washington","DEPARTMENT":"Oceanography","LABORATORY":"Ingalls Lab","LAST_NAME":"Kumler","FIRST_NAME":"William","ADDRESS":"1501 NE Boat St, Seattle, WA, 98105, USA","EMAIL":"wkumler@uw.edu","PHONE":"2062216732"},

"STUDY":{"STUDY_TITLE":"Community metabolomes reflect taxon-specific fingerprints of phytoplankton and heterotrophic bacteria in the ocean (expanded)","STUDY_TYPE":"Metabolomic survey of 46 phytoplankton and heterotrophic bacteria species","STUDY_SUMMARY":"This study is an updated version of the prior study in this project, ST001514. With this update we introduce additional marine species, in particular the heterotrophic bacteria, and include our expanded library of authentic standards (available at https://github.com/IngallsLabUW/Ingalls_Standards/blob/430992e10c0464a817c69d22e3905d73f2ea196f/Ingalls_Lab_Standards.csv) for improved targeted coverage.","INSTITUTE":"University of Washington","LAST_NAME":"Kumler","FIRST_NAME":"William","ADDRESS":"1501 NE Boat St, Seattle, WA, 98105, USA","EMAIL":"wkumler@uw.edu","PHONE":"9095551234"},

"SUBJECT":{"SUBJECT_TYPE":"Other organism","SUBJECT_SPECIES":"Marine plankton"},
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"Factors":{"Sample_type":"QC Pooled","Species_strain":"NA","Broad_taxon":"NA","MS_run":"Cyanos"},
"Additional sample data":{"RAW_FILE_NAME":"211102_Poo_TruePooCyanos_Full1.mzML"}
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{
"Subject ID":"-",
"Sample ID":"211102_Poo_TruePooCyanos_Full2.mzML",
"Factors":{"Sample_type":"QC Pooled","Species_strain":"NA","Broad_taxon":"NA","MS_run":"Cyanos"},
"Additional sample data":{"RAW_FILE_NAME":"211102_Poo_TruePooCyanos_Full2.mzML"}
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{
"Subject ID":"-",
"Sample ID":"211102_Poo_TruePooCyanos_Full3.mzML",
"Factors":{"Sample_type":"QC Pooled","Species_strain":"NA","Broad_taxon":"NA","MS_run":"Cyanos"},
"Additional sample data":{"RAW_FILE_NAME":"211102_Poo_TruePooCyanos_Full3.mzML"}
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{
"Subject ID":"-",
"Sample ID":"211102_Poo_TruePooCyanos_Half1.mzML",
"Factors":{"Sample_type":"QC Pooled","Species_strain":"NA","Broad_taxon":"NA","MS_run":"Cyanos"},
"Additional sample data":{"RAW_FILE_NAME":"211102_Poo_TruePooCyanos_Half1.mzML"}
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"Subject ID":"-",
"Sample ID":"211102_Poo_TruePooCyanos_Half2.mzML",
"Factors":{"Sample_type":"QC Pooled","Species_strain":"NA","Broad_taxon":"NA","MS_run":"Cyanos"},
"Additional sample data":{"RAW_FILE_NAME":"211102_Poo_TruePooCyanos_Half2.mzML"}
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{
"Subject ID":"-",
"Sample ID":"211102_Poo_TruePooCyanos_Half3.mzML",
"Factors":{"Sample_type":"QC Pooled","Species_strain":"NA","Broad_taxon":"NA","MS_run":"Cyanos"},
"Additional sample data":{"RAW_FILE_NAME":"211102_Poo_TruePooCyanos_Half3.mzML"}
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{
"Subject ID":"-",
"Sample ID":"211102_Poo_TruePooDiatoms_Full1.mzML",
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{
"Subject ID":"-",
"Sample ID":"211102_Poo_TruePooDiatoms_Full2.mzML",
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{
"Subject ID":"-",
"Sample ID":"211102_Poo_TruePooDiatoms_Full3.mzML",
"Factors":{"Sample_type":"QC Pooled","Species_strain":"NA","Broad_taxon":"NA","MS_run":"Diatom"},
"Additional sample data":{"RAW_FILE_NAME":"211102_Poo_TruePooDiatoms_Full3.mzML"}
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{
"Subject ID":"-",
"Sample ID":"211102_Poo_TruePooDiatoms_Half1.mzML",
"Factors":{"Sample_type":"QC Pooled","Species_strain":"NA","Broad_taxon":"NA","MS_run":"Diatom"},
"Additional sample data":{"RAW_FILE_NAME":"211102_Poo_TruePooDiatoms_Half1.mzML"}
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{
"Subject ID":"-",
"Sample ID":"211102_Poo_TruePooDiatoms_Half2.mzML",
"Factors":{"Sample_type":"QC Pooled","Species_strain":"NA","Broad_taxon":"NA","MS_run":"Diatom"},
"Additional sample data":{"RAW_FILE_NAME":"211102_Poo_TruePooDiatoms_Half2.mzML"}
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"Subject ID":"-",
"Sample ID":"211102_Poo_TruePooDiatoms_Half3.mzML",
"Factors":{"Sample_type":"QC Pooled","Species_strain":"NA","Broad_taxon":"NA","MS_run":"Diatom"},
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{
"Subject ID":"-",
"Sample ID":"211102_Poo_TruePooDinosGreens_Full1.mzML",
"Factors":{"Sample_type":"QC Pooled","Species_strain":"NA","Broad_taxon":"NA","MS_run":"DinosGreens"},
"Additional sample data":{"RAW_FILE_NAME":"211102_Poo_TruePooDinosGreens_Full1.mzML"}
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{
"Subject ID":"-",
"Sample ID":"211102_Poo_TruePooDinosGreens_Full2.mzML",
"Factors":{"Sample_type":"QC Pooled","Species_strain":"NA","Broad_taxon":"NA","MS_run":"DinosGreens"},
"Additional sample data":{"RAW_FILE_NAME":"211102_Poo_TruePooDinosGreens_Full2.mzML"}
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{
"Subject ID":"-",
"Sample ID":"211102_Poo_TruePooDinosGreens_Full3.mzML",
"Factors":{"Sample_type":"QC Pooled","Species_strain":"NA","Broad_taxon":"NA","MS_run":"DinosGreens"},
"Additional sample data":{"RAW_FILE_NAME":"211102_Poo_TruePooDinosGreens_Full3.mzML"}
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{
"Subject ID":"-",
"Sample ID":"211102_Poo_TruePooDinosGreens_Half1.mzML",
"Factors":{"Sample_type":"QC Pooled","Species_strain":"NA","Broad_taxon":"NA","MS_run":"DinosGreens"},
"Additional sample data":{"RAW_FILE_NAME":"211102_Poo_TruePooDinosGreens_Half1.mzML"}
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{
"Subject ID":"-",
"Sample ID":"211102_Poo_TruePooDinosGreens_Half2.mzML",
"Factors":{"Sample_type":"QC Pooled","Species_strain":"NA","Broad_taxon":"NA","MS_run":"DinosGreens"},
"Additional sample data":{"RAW_FILE_NAME":"211102_Poo_TruePooDinosGreens_Half2.mzML"}
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{
"Subject ID":"-",
"Sample ID":"211102_Poo_TruePooDinosGreens_Half3.mzML",
"Factors":{"Sample_type":"QC Pooled","Species_strain":"NA","Broad_taxon":"NA","MS_run":"DinosGreens"},
"Additional sample data":{"RAW_FILE_NAME":"211102_Poo_TruePooDinosGreens_Half3.mzML"}
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{
"Subject ID":"-",
"Sample ID":"211215_Blk_MediaBlk_A_pos.mzML",
"Factors":{"Sample_type":"Blank","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"211215_Blk_MediaBlk_A_pos.mzML"}
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{
"Subject ID":"-",
"Sample ID":"211215_Blk_MediaBlk_B_pos.mzML",
"Factors":{"Sample_type":"Blank","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"211215_Blk_MediaBlk_B_pos.mzML"}
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{
"Subject ID":"-",
"Sample ID":"211215_Blk_MediaBlk_Fc_pos.mzML",
"Factors":{"Sample_type":"Blank","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"211215_Blk_MediaBlk_Fc_pos.mzML"}
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{
"Subject ID":"-",
"Sample ID":"211215_Blk_MediaBlk_Pc55x_pos.mzML",
"Factors":{"Sample_type":"Blank","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"211215_Blk_MediaBlk_Pc55x_pos.mzML"}
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{
"Subject ID":"-",
"Sample ID":"211215_Blk_MediaBlk_Z_pos.mzML",
"Factors":{"Sample_type":"Blank","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"211215_Blk_MediaBlk_Z_pos.mzML"}
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{
"Subject ID":"-",
"Sample ID":"211215_Smp_Cy_A_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Cyclotella meneghiniana CCMP 338","Broad_taxon":"Diatoms","MS_run":"Diatom"},
"Additional sample data":{"RAW_FILE_NAME":"211215_Smp_Cy_A_pos.mzML"}
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{
"Subject ID":"-",
"Sample ID":"211215_Smp_Cy_B_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Cyclotella meneghiniana CCMP 338","Broad_taxon":"Diatoms","MS_run":"Diatom"},
"Additional sample data":{"RAW_FILE_NAME":"211215_Smp_Cy_B_pos.mzML"}
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{
"Subject ID":"-",
"Sample ID":"211215_Smp_Cy_C_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Cyclotella meneghiniana CCMP 338","Broad_taxon":"Diatoms","MS_run":"Diatom"},
"Additional sample data":{"RAW_FILE_NAME":"211215_Smp_Cy_C_pos.mzML"}
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{
"Subject ID":"-",
"Sample ID":"211215_Smp_Fc_A_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Fragilariopsis cylindrus CCMP3383","Broad_taxon":"Diatoms","MS_run":"Diatom"},
"Additional sample data":{"RAW_FILE_NAME":"211215_Smp_Fc_A_pos.mzML"}
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{
"Subject ID":"-",
"Sample ID":"211215_Smp_Fc_B_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Fragilariopsis cylindrus CCMP3383","Broad_taxon":"Diatoms","MS_run":"Diatom"},
"Additional sample data":{"RAW_FILE_NAME":"211215_Smp_Fc_B_pos.mzML"}
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{
"Subject ID":"-",
"Sample ID":"211215_Smp_Fc_C_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Fragilariopsis cylindrus CCMP3383","Broad_taxon":"Diatoms","MS_run":"Diatom"},
"Additional sample data":{"RAW_FILE_NAME":"211215_Smp_Fc_C_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211215_Smp_Np_A_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Navicula pelliculosa CCMP543","Broad_taxon":"Diatoms","MS_run":"Diatom"},
"Additional sample data":{"RAW_FILE_NAME":"211215_Smp_Np_A_pos.mzML"}
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{
"Subject ID":"-",
"Sample ID":"211215_Smp_Np_C_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Navicula pelliculosa CCMP543","Broad_taxon":"Diatoms","MS_run":"Diatom"},
"Additional sample data":{"RAW_FILE_NAME":"211215_Smp_Np_C_pos.mzML"}
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{
"Subject ID":"-",
"Sample ID":"211215_Smp_Np_F_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Navicula pelliculosa CCMP543","Broad_taxon":"Diatoms","MS_run":"Diatom"},
"Additional sample data":{"RAW_FILE_NAME":"211215_Smp_Np_F_pos.mzML"}
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{
"Subject ID":"-",
"Sample ID":"211215_Smp_Pc55x_A_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Pseudo-nitzschia pungens Pc55x","Broad_taxon":"Diatoms","MS_run":"Diatom"},
"Additional sample data":{"RAW_FILE_NAME":"211215_Smp_Pc55x_A_pos.mzML"}
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{
"Subject ID":"-",
"Sample ID":"211215_Smp_Pc55x_B_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Pseudo-nitzschia pungens Pc55x","Broad_taxon":"Diatoms","MS_run":"Diatom"},
"Additional sample data":{"RAW_FILE_NAME":"211215_Smp_Pc55x_B_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211215_Smp_Pc55x_C_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Pseudo-nitzschia pungens Pc55x","Broad_taxon":"Diatoms","MS_run":"Diatom"},
"Additional sample data":{"RAW_FILE_NAME":"211215_Smp_Pc55x_C_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211215_Smp_Pt_C_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Phaeodactylum tricornutum CCMP2561","Broad_taxon":"Diatoms","MS_run":"Diatom"},
"Additional sample data":{"RAW_FILE_NAME":"211215_Smp_Pt_C_pos.mzML"}
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{
"Subject ID":"-",
"Sample ID":"211215_Smp_Pt_F_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Phaeodactylum tricornutum CCMP2561","Broad_taxon":"Diatoms","MS_run":"Diatom"},
"Additional sample data":{"RAW_FILE_NAME":"211215_Smp_Pt_F_pos.mzML"}
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{
"Subject ID":"-",
"Sample ID":"211215_Smp_To_A_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Thalassiosira oceanica CCMP 1005","Broad_taxon":"Diatoms","MS_run":"Diatom"},
"Additional sample data":{"RAW_FILE_NAME":"211215_Smp_To_A_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211215_Smp_To_B_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Thalassiosira oceanica CCMP 1005","Broad_taxon":"Diatoms","MS_run":"Diatom"},
"Additional sample data":{"RAW_FILE_NAME":"211215_Smp_To_B_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211215_Smp_To_C_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Thalassiosira oceanica CCMP 1005","Broad_taxon":"Diatoms","MS_run":"Diatom"},
"Additional sample data":{"RAW_FILE_NAME":"211215_Smp_To_C_pos.mzML"}
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{
"Subject ID":"-",
"Sample ID":"211215_Smp_Tp_A_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Thalassiosira pseudonana CCMP1335","Broad_taxon":"Diatoms","MS_run":"Diatom"},
"Additional sample data":{"RAW_FILE_NAME":"211215_Smp_Tp_A_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211215_Smp_Tp_E_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Thalassiosira pseudonana CCMP1335","Broad_taxon":"Diatoms","MS_run":"Diatom"},
"Additional sample data":{"RAW_FILE_NAME":"211215_Smp_Tp_E_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211215_Smp_Tp_F_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Thalassiosira pseudonana CCMP1335","Broad_taxon":"Diatoms","MS_run":"Diatom"},
"Additional sample data":{"RAW_FILE_NAME":"211215_Smp_Tp_F_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211215_Std_4uMStdsMix1InH2O_1.mzML",
"Factors":{"Sample_type":"Standard mix","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"211215_Std_4uMStdsMix1InH2O_1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211215_Std_4uMStdsMix1InH2O_2.mzML",
"Factors":{"Sample_type":"Standard mix","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"211215_Std_4uMStdsMix1InH2O_2.mzML"}
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{
"Subject ID":"-",
"Sample ID":"211215_Std_4uMStdsMix1InMatrix_1.mzML",
"Factors":{"Sample_type":"Standard mix","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"211215_Std_4uMStdsMix1InMatrix_1.mzML"}
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{
"Subject ID":"-",
"Sample ID":"211215_Std_4uMStdsMix1InMatrix_2.mzML",
"Factors":{"Sample_type":"Standard mix","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"211215_Std_4uMStdsMix1InMatrix_2.mzML"}
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"Subject ID":"-",
"Sample ID":"211215_Std_4uMStdsMix2InH2O_1.mzML",
"Factors":{"Sample_type":"Standard mix","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"211215_Std_4uMStdsMix2InH2O_1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211215_Std_4uMStdsMix2InH2O_2.mzML",
"Factors":{"Sample_type":"Standard mix","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"211215_Std_4uMStdsMix2InH2O_2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211215_Std_4uMStdsMix2InMatrix_1.mzML",
"Factors":{"Sample_type":"Standard mix","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"211215_Std_4uMStdsMix2InMatrix_1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211215_Std_4uMStdsMix2InMatrix_2.mzML",
"Factors":{"Sample_type":"Standard mix","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"211215_Std_4uMStdsMix2InMatrix_2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211215_Std_H2OinMatrix_1.mzML",
"Factors":{"Sample_type":"Standard mix","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"211215_Std_H2OinMatrix_1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211215_Std_H2OinMatrix_2.mzML",
"Factors":{"Sample_type":"Standard mix","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"211215_Std_H2OinMatrix_2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211218_Blk_MediaBlk_21_pos.mzML",
"Factors":{"Sample_type":"Blank","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"211218_Blk_MediaBlk_21_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211218_Blk_MediaBlk_3430_pos.mzML",
"Factors":{"Sample_type":"Blank","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"211218_Blk_MediaBlk_3430_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211218_Blk_MediaBlk_49_pos.mzML",
"Factors":{"Sample_type":"Blank","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"211218_Blk_MediaBlk_49_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211218_Blk_MediaBlk_71_pos.mzML",
"Factors":{"Sample_type":"Blank","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"211218_Blk_MediaBlk_71_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211218_Blk_MediaBlk_N_pos.mzML",
"Factors":{"Sample_type":"Blank","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"211218_Blk_MediaBlk_N_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211218_Blk_MediaBlk_O_pos.mzML",
"Factors":{"Sample_type":"Blank","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"211218_Blk_MediaBlk_O_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211218_Smp_1314_A_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Amphidinium carterae CCMP1314","Broad_taxon":"Dinoflagellates","MS_run":"DinosGreens"},
"Additional sample data":{"RAW_FILE_NAME":"211218_Smp_1314_A_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211218_Smp_1314_B_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Amphidinium carterae CCMP1314","Broad_taxon":"Dinoflagellates","MS_run":"DinosGreens"},
"Additional sample data":{"RAW_FILE_NAME":"211218_Smp_1314_B_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211218_Smp_1314_C_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Amphidinium carterae CCMP1314","Broad_taxon":"Dinoflagellates","MS_run":"DinosGreens"},
"Additional sample data":{"RAW_FILE_NAME":"211218_Smp_1314_C_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211218_Smp_1545_A_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Micromonas pusilla CCMP1545","Broad_taxon":"Pico-euks (Greens)","MS_run":"DinosGreens"},
"Additional sample data":{"RAW_FILE_NAME":"211218_Smp_1545_A_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211218_Smp_1545_B_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Micromonas pusilla CCMP1545","Broad_taxon":"Pico-euks (Greens)","MS_run":"DinosGreens"},
"Additional sample data":{"RAW_FILE_NAME":"211218_Smp_1545_B_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211218_Smp_1545_C_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Micromonas pusilla CCMP1545","Broad_taxon":"Pico-euks (Greens)","MS_run":"DinosGreens"},
"Additional sample data":{"RAW_FILE_NAME":"211218_Smp_1545_C_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211218_Smp_1771_A_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Alexandrium tamarense CCMP1771","Broad_taxon":"Dinoflagellates","MS_run":"DinosGreens"},
"Additional sample data":{"RAW_FILE_NAME":"211218_Smp_1771_A_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211218_Smp_1771_B_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Alexandrium tamarense CCMP1771","Broad_taxon":"Dinoflagellates","MS_run":"DinosGreens"},
"Additional sample data":{"RAW_FILE_NAME":"211218_Smp_1771_B_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211218_Smp_1771_C_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Alexandrium tamarense CCMP1771","Broad_taxon":"Dinoflagellates","MS_run":"DinosGreens"},
"Additional sample data":{"RAW_FILE_NAME":"211218_Smp_1771_C_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211218_Smp_2021_A_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Lingulodinium polyedra CCMP2021","Broad_taxon":"Dinoflagellates","MS_run":"DinosGreens"},
"Additional sample data":{"RAW_FILE_NAME":"211218_Smp_2021_A_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211218_Smp_2021_B_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Lingulodinium polyedra CCMP2021","Broad_taxon":"Dinoflagellates","MS_run":"DinosGreens"},
"Additional sample data":{"RAW_FILE_NAME":"211218_Smp_2021_B_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211218_Smp_2021_C_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Lingulodinium polyedra CCMP2021","Broad_taxon":"Dinoflagellates","MS_run":"DinosGreens"},
"Additional sample data":{"RAW_FILE_NAME":"211218_Smp_2021_C_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211218_Smp_3430_A_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Ostreococcus lucimarinus CCMP3430","Broad_taxon":"Pico-euks (Greens)","MS_run":"DinosGreens"},
"Additional sample data":{"RAW_FILE_NAME":"211218_Smp_3430_A_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211218_Smp_3430_B_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Ostreococcus lucimarinus CCMP3430","Broad_taxon":"Pico-euks (Greens)","MS_run":"DinosGreens"},
"Additional sample data":{"RAW_FILE_NAME":"211218_Smp_3430_B_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211218_Smp_3430_C_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Ostreococcus lucimarinus CCMP3430","Broad_taxon":"Pico-euks (Greens)","MS_run":"DinosGreens"},
"Additional sample data":{"RAW_FILE_NAME":"211218_Smp_3430_C_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211218_Smp_449_A_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Heterocapsa triquetra CCMP449","Broad_taxon":"Dinoflagellates","MS_run":"DinosGreens"},
"Additional sample data":{"RAW_FILE_NAME":"211218_Smp_449_A_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211218_Smp_449_B_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Heterocapsa triquetra CCMP449","Broad_taxon":"Dinoflagellates","MS_run":"DinosGreens"},
"Additional sample data":{"RAW_FILE_NAME":"211218_Smp_449_B_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211218_Smp_449_C_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Heterocapsa triquetra CCMP449","Broad_taxon":"Dinoflagellates","MS_run":"DinosGreens"},
"Additional sample data":{"RAW_FILE_NAME":"211218_Smp_449_C_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211218_Std_4uMStdsMix1InH2O_1.mzML",
"Factors":{"Sample_type":"Standard mix","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"211218_Std_4uMStdsMix1InH2O_1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211218_Std_4uMStdsMix1InMatrix_1.mzML",
"Factors":{"Sample_type":"Standard mix","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"211218_Std_4uMStdsMix1InMatrix_1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211218_Std_4uMStdsMix1InMatrix_2.mzML",
"Factors":{"Sample_type":"Standard mix","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"211218_Std_4uMStdsMix1InMatrix_2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211218_Std_4uMStdsMix2InH2O_1.mzML",
"Factors":{"Sample_type":"Standard mix","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"211218_Std_4uMStdsMix2InH2O_1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211218_Std_4uMStdsMix2InMatrix_1.mzML",
"Factors":{"Sample_type":"Standard mix","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"211218_Std_4uMStdsMix2InMatrix_1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211218_Std_4uMStdsMix2InMatrix_2.mzML",
"Factors":{"Sample_type":"Standard mix","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"211218_Std_4uMStdsMix2InMatrix_2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211218_Std_H2OinMatrix_1.mzML",
"Factors":{"Sample_type":"Standard mix","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"211218_Std_H2OinMatrix_1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211218_Std_H2OinMatrix_2.mzML",
"Factors":{"Sample_type":"Standard mix","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"211218_Std_H2OinMatrix_2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211221_Blk_MediaBlk_1314P_pos.mzML",
"Factors":{"Sample_type":"Blank","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"211221_Blk_MediaBlk_1314P_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211221_Blk_MediaBlk_A_pos.mzML",
"Factors":{"Sample_type":"Blank","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"211221_Blk_MediaBlk_A_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211221_Blk_MediaBlk_As9601_pos.mzML",
"Factors":{"Sample_type":"Blank","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"211221_Blk_MediaBlk_As9601_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211221_Blk_MediaBlk_C_pos.mzML",
"Factors":{"Sample_type":"Blank","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"211221_Blk_MediaBlk_C_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211221_Blk_MediaBlk_Nat_pos.mzML",
"Factors":{"Sample_type":"Blank","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"211221_Blk_MediaBlk_Nat_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211221_Smp_1314P_A_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Amphidinium carterae CCMP1314","Broad_taxon":"Dinoflagellates","MS_run":"DinosGreens"},
"Additional sample data":{"RAW_FILE_NAME":"211221_Smp_1314P_A_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211221_Smp_1314P_B_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Amphidinium carterae CCMP1314","Broad_taxon":"Dinoflagellates","MS_run":"DinosGreens"},
"Additional sample data":{"RAW_FILE_NAME":"211221_Smp_1314P_B_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211221_Smp_1314P_C_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Amphidinium carterae CCMP1314","Broad_taxon":"Dinoflagellates","MS_run":"DinosGreens"},
"Additional sample data":{"RAW_FILE_NAME":"211221_Smp_1314P_C_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211221_Smp_7803_B_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Synechococcus sp. 7803","Broad_taxon":"Cyanos","MS_run":"Cyanos"},
"Additional sample data":{"RAW_FILE_NAME":"211221_Smp_7803_B_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211221_Smp_7803_F_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Synechococcus sp. 7803","Broad_taxon":"Cyanos","MS_run":"Cyanos"},
"Additional sample data":{"RAW_FILE_NAME":"211221_Smp_7803_F_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211221_Smp_8102_A_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Synechococcus sp. 8102","Broad_taxon":"Cyanos","MS_run":"Cyanos"},
"Additional sample data":{"RAW_FILE_NAME":"211221_Smp_8102_A_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211221_Smp_8102_F_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Synechococcus sp. 8102","Broad_taxon":"Cyanos","MS_run":"Cyanos"},
"Additional sample data":{"RAW_FILE_NAME":"211221_Smp_8102_F_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211221_Smp_8501_B_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Crocosphaera watsonii WH8501","Broad_taxon":"Cyanos","MS_run":"Cyanos"},
"Additional sample data":{"RAW_FILE_NAME":"211221_Smp_8501_B_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211221_Smp_8501_C_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Crocosphaera watsonii WH8501","Broad_taxon":"Cyanos","MS_run":"Cyanos"},
"Additional sample data":{"RAW_FILE_NAME":"211221_Smp_8501_C_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211221_Smp_8501_D_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Crocosphaera watsonii WH8501","Broad_taxon":"Cyanos","MS_run":"Cyanos"},
"Additional sample data":{"RAW_FILE_NAME":"211221_Smp_8501_D_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211221_Smp_As9601_A_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Prochlorococcus AS9601","Broad_taxon":"Cyanos","MS_run":"Cyanos"},
"Additional sample data":{"RAW_FILE_NAME":"211221_Smp_As9601_A_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211221_Smp_As9601_B_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Prochlorococcus AS9601","Broad_taxon":"Cyanos","MS_run":"Cyanos"},
"Additional sample data":{"RAW_FILE_NAME":"211221_Smp_As9601_B_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211221_Smp_As9601_C_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Prochlorococcus AS9601","Broad_taxon":"Cyanos","MS_run":"Cyanos"},
"Additional sample data":{"RAW_FILE_NAME":"211221_Smp_As9601_C_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211221_Smp_MED4_D_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Prochlorococcus marinus MED4","Broad_taxon":"Cyanos","MS_run":"Cyanos"},
"Additional sample data":{"RAW_FILE_NAME":"211221_Smp_MED4_D_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211221_Smp_MED4_E_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Prochlorococcus marinus MED4","Broad_taxon":"Cyanos","MS_run":"Cyanos"},
"Additional sample data":{"RAW_FILE_NAME":"211221_Smp_MED4_E_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211221_Smp_MED4_F_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Prochlorococcus marinus MED4","Broad_taxon":"Cyanos","MS_run":"Cyanos"},
"Additional sample data":{"RAW_FILE_NAME":"211221_Smp_MED4_F_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211221_Smp_Nat_A_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Prochlorococcus NATL2A","Broad_taxon":"Cyanos","MS_run":"Cyanos"},
"Additional sample data":{"RAW_FILE_NAME":"211221_Smp_Nat_A_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211221_Smp_Nat_B_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Prochlorococcus NATL2A","Broad_taxon":"Cyanos","MS_run":"Cyanos"},
"Additional sample data":{"RAW_FILE_NAME":"211221_Smp_Nat_B_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211221_Smp_Nat_C_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Prochlorococcus NATL2A","Broad_taxon":"Cyanos","MS_run":"Cyanos"},
"Additional sample data":{"RAW_FILE_NAME":"211221_Smp_Nat_C_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211221_Std_4uMStdsMix1InH2O_1.mzML",
"Factors":{"Sample_type":"Standard mix","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"211221_Std_4uMStdsMix1InH2O_1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211221_Std_4uMStdsMix1InH2O_2.mzML",
"Factors":{"Sample_type":"Standard mix","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"211221_Std_4uMStdsMix1InH2O_2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211221_Std_4uMStdsMix1InMatrix_1.mzML",
"Factors":{"Sample_type":"Standard mix","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"211221_Std_4uMStdsMix1InMatrix_1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211221_Std_4uMStdsMix1InMatrix_2.mzML",
"Factors":{"Sample_type":"Standard mix","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"211221_Std_4uMStdsMix1InMatrix_2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211221_Std_4uMStdsMix2InH2O_1.mzML",
"Factors":{"Sample_type":"Standard mix","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"211221_Std_4uMStdsMix2InH2O_1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211221_Std_4uMStdsMix2InH2O_2.mzML",
"Factors":{"Sample_type":"Standard mix","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"211221_Std_4uMStdsMix2InH2O_2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211221_Std_4uMStdsMix2InMatrix_1.mzML",
"Factors":{"Sample_type":"Standard mix","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"211221_Std_4uMStdsMix2InMatrix_1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211221_Std_4uMStdsMix2InMatrix_2.mzML",
"Factors":{"Sample_type":"Standard mix","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"211221_Std_4uMStdsMix2InMatrix_2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211221_Std_H2OinMatrix_1.mzML",
"Factors":{"Sample_type":"Standard mix","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"211221_Std_H2OinMatrix_1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"211221_Std_H2OinMatrix_2.mzML",
"Factors":{"Sample_type":"Standard mix","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"211221_Std_H2OinMatrix_2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220104_Blk_MediaBlk_C_pos.mzML",
"Factors":{"Sample_type":"Blank","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"220104_Blk_MediaBlk_C_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220104_Blk_MediaBlk_H_pos.mzML",
"Factors":{"Sample_type":"Blank","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"220104_Blk_MediaBlk_H_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220104_Blk_MediaBlk_LInoSi_pos.mzML",
"Factors":{"Sample_type":"Blank","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"220104_Blk_MediaBlk_LInoSi_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220104_Blk_MediaBlk_RAC5_pos.mzML",
"Factors":{"Sample_type":"Blank","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"220104_Blk_MediaBlk_RAC5_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220104_Poo_TruePooHaptophytes_Full1.mzML",
"Factors":{"Sample_type":"QC Pooled","Species_strain":"NA","Broad_taxon":"NA","MS_run":"Haptophytes"},
"Additional sample data":{"RAW_FILE_NAME":"220104_Poo_TruePooHaptophytes_Full1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220104_Poo_TruePooHaptophytes_Full2.mzML",
"Factors":{"Sample_type":"QC Pooled","Species_strain":"NA","Broad_taxon":"NA","MS_run":"Haptophytes"},
"Additional sample data":{"RAW_FILE_NAME":"220104_Poo_TruePooHaptophytes_Full2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220104_Poo_TruePooHaptophytes_Full3.mzML",
"Factors":{"Sample_type":"QC Pooled","Species_strain":"NA","Broad_taxon":"NA","MS_run":"Haptophytes"},
"Additional sample data":{"RAW_FILE_NAME":"220104_Poo_TruePooHaptophytes_Full3.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220104_Poo_TruePooHaptophytes_Half1.mzML",
"Factors":{"Sample_type":"QC Pooled","Species_strain":"NA","Broad_taxon":"NA","MS_run":"Haptophytes"},
"Additional sample data":{"RAW_FILE_NAME":"220104_Poo_TruePooHaptophytes_Half1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220104_Poo_TruePooHaptophytes_Half2.mzML",
"Factors":{"Sample_type":"QC Pooled","Species_strain":"NA","Broad_taxon":"NA","MS_run":"Haptophytes"},
"Additional sample data":{"RAW_FILE_NAME":"220104_Poo_TruePooHaptophytes_Half2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220104_Poo_TruePooHaptophytes_Half3.mzML",
"Factors":{"Sample_type":"QC Pooled","Species_strain":"NA","Broad_taxon":"NA","MS_run":"Haptophytes"},
"Additional sample data":{"RAW_FILE_NAME":"220104_Poo_TruePooHaptophytes_Half3.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220104_Smp_116-1_A_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Chrysochromulina","Broad_taxon":"Haptophytes","MS_run":"Haptos"},
"Additional sample data":{"RAW_FILE_NAME":"220104_Smp_116-1_A_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220104_Smp_116-1_B_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Chrysochromulina","Broad_taxon":"Haptophytes","MS_run":"Haptos"},
"Additional sample data":{"RAW_FILE_NAME":"220104_Smp_116-1_B_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220104_Smp_116-1_C_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Chrysochromulina","Broad_taxon":"Haptophytes","MS_run":"Haptos"},
"Additional sample data":{"RAW_FILE_NAME":"220104_Smp_116-1_C_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220104_Smp_2090_A_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Emiliana huxleyi CCMP2090 (baller)","Broad_taxon":"Haptophytes","MS_run":"Haptos"},
"Additional sample data":{"RAW_FILE_NAME":"220104_Smp_2090_A_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220104_Smp_2090_B_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Emiliana huxleyi CCMP2090 (baller)","Broad_taxon":"Haptophytes","MS_run":"Haptos"},
"Additional sample data":{"RAW_FILE_NAME":"220104_Smp_2090_B_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220104_Smp_2090_C_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Emiliana huxleyi CCMP2090 (baller)","Broad_taxon":"Haptophytes","MS_run":"Haptos"},
"Additional sample data":{"RAW_FILE_NAME":"220104_Smp_2090_C_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220104_Smp_371_A_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Emiliana huxleyi CCMP371 (c)","Broad_taxon":"Haptophytes","MS_run":"Haptos"},
"Additional sample data":{"RAW_FILE_NAME":"220104_Smp_371_A_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220104_Smp_371_B_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Emiliana huxleyi CCMP371 (c)","Broad_taxon":"Haptophytes","MS_run":"Haptos"},
"Additional sample data":{"RAW_FILE_NAME":"220104_Smp_371_B_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220104_Smp_371_C_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Emiliana huxleyi CCMP371 (c)","Broad_taxon":"Haptophytes","MS_run":"Haptos"},
"Additional sample data":{"RAW_FILE_NAME":"220104_Smp_371_C_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220104_Smp_Ca_A_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Chrysochromulina acantha","Broad_taxon":"Haptophytes","MS_run":"Haptos"},
"Additional sample data":{"RAW_FILE_NAME":"220104_Smp_Ca_A_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220104_Smp_Ca_B_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Chrysochromulina acantha","Broad_taxon":"Haptophytes","MS_run":"Haptos"},
"Additional sample data":{"RAW_FILE_NAME":"220104_Smp_Ca_B_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220104_Smp_Ca_C_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Chrysochromulina acantha","Broad_taxon":"Haptophytes","MS_run":"Haptos"},
"Additional sample data":{"RAW_FILE_NAME":"220104_Smp_Ca_C_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220104_Smp_Cr_A_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Chrysochromulina rotalis","Broad_taxon":"Haptophytes","MS_run":"Haptos"},
"Additional sample data":{"RAW_FILE_NAME":"220104_Smp_Cr_A_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220104_Smp_Cr_B_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Chrysochromulina rotalis","Broad_taxon":"Haptophytes","MS_run":"Haptos"},
"Additional sample data":{"RAW_FILE_NAME":"220104_Smp_Cr_B_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220104_Smp_Cr_C_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Chrysochromulina rotalis","Broad_taxon":"Haptophytes","MS_run":"Haptos"},
"Additional sample data":{"RAW_FILE_NAME":"220104_Smp_Cr_C_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220104_Smp_Cs_A_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Chrysochromulina simplex","Broad_taxon":"Haptophytes","MS_run":"Haptos"},
"Additional sample data":{"RAW_FILE_NAME":"220104_Smp_Cs_A_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220104_Smp_Cs_B_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Chrysochromulina simplex","Broad_taxon":"Haptophytes","MS_run":"Haptos"},
"Additional sample data":{"RAW_FILE_NAME":"220104_Smp_Cs_B_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220104_Smp_Cs_C_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Chrysochromulina simplex","Broad_taxon":"Haptophytes","MS_run":"Haptos"},
"Additional sample data":{"RAW_FILE_NAME":"220104_Smp_Cs_C_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220104_Smp_P3_A_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Chrysochromulina","Broad_taxon":"Haptophytes","MS_run":"Haptos"},
"Additional sample data":{"RAW_FILE_NAME":"220104_Smp_P3_A_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220104_Smp_P3_B_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Chrysochromulina","Broad_taxon":"Haptophytes","MS_run":"Haptos"},
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},
{
"Subject ID":"-",
"Sample ID":"220104_Smp_P3_C_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Chrysochromulina","Broad_taxon":"Haptophytes","MS_run":"Haptos"},
"Additional sample data":{"RAW_FILE_NAME":"220104_Smp_P3_C_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220104_Smp_P5-5_A_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Chrysochromulina","Broad_taxon":"Haptophytes","MS_run":"Haptos"},
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{
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"Sample ID":"220104_Smp_P5-5_B_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Chrysochromulina","Broad_taxon":"Haptophytes","MS_run":"Haptos"},
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{
"Subject ID":"-",
"Sample ID":"220104_Smp_P5-5_C_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Chrysochromulina","Broad_taxon":"Haptophytes","MS_run":"Haptos"},
"Additional sample data":{"RAW_FILE_NAME":"220104_Smp_P5-5_C_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220104_Std_4uMStdsMix1InH2O_1.mzML",
"Factors":{"Sample_type":"Standard mix","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"220104_Std_4uMStdsMix1InH2O_1.mzML"}
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{
"Subject ID":"-",
"Sample ID":"220104_Std_4uMStdsMix1InH2O_2.mzML",
"Factors":{"Sample_type":"Standard mix","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"220104_Std_4uMStdsMix1InH2O_2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220104_Std_4uMStdsMix1InMatrix_1.mzML",
"Factors":{"Sample_type":"Standard mix","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"220104_Std_4uMStdsMix1InMatrix_1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220104_Std_4uMStdsMix1InMatrix_2.mzML",
"Factors":{"Sample_type":"Standard mix","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
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},
{
"Subject ID":"-",
"Sample ID":"220104_Std_4uMStdsMix2InH2O_1.mzML",
"Factors":{"Sample_type":"Standard mix","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"220104_Std_4uMStdsMix2InH2O_1.mzML"}
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{
"Subject ID":"-",
"Sample ID":"220104_Std_4uMStdsMix2InH2O_2.mzML",
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"Additional sample data":{"RAW_FILE_NAME":"220104_Std_4uMStdsMix2InH2O_2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220104_Std_4uMStdsMix2InMatrix_1.mzML",
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{
"Subject ID":"-",
"Sample ID":"220104_Std_4uMStdsMix2InMatrix_2.mzML",
"Factors":{"Sample_type":"Standard mix","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"220104_Std_4uMStdsMix2InMatrix_2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220104_Std_H2OinMatrix_1.mzML",
"Factors":{"Sample_type":"Standard mix","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"220104_Std_H2OinMatrix_1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220104_Std_H2OinMatrix_2.mzML",
"Factors":{"Sample_type":"Standard mix","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"220104_Std_H2OinMatrix_2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Blk_MediaBlk_A_pos.mzML",
"Factors":{"Sample_type":"Blank","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Blk_MediaBlk_A_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Blk_MediaBlk_AMS_pos.mzML",
"Factors":{"Sample_type":"Blank","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Blk_MediaBlk_AMS_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Blk_MediaBlk_AOA_pos.mzML",
"Factors":{"Sample_type":"Blank","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Blk_MediaBlk_AOA_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Blk_MediaBlk_B_pos.mzML",
"Factors":{"Sample_type":"Blank","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Blk_MediaBlk_B_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Poo_TruePooBacteria_Full1.mzML",
"Factors":{"Sample_type":"QC Pooled","Species_strain":"NA","Broad_taxon":"NA","MS_run":"Bacteria"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Poo_TruePooBacteria_Full1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Poo_TruePooBacteria_Full2.mzML",
"Factors":{"Sample_type":"QC Pooled","Species_strain":"NA","Broad_taxon":"NA","MS_run":"Bacteria"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Poo_TruePooBacteria_Full2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Poo_TruePooBacteria_Full3.mzML",
"Factors":{"Sample_type":"QC Pooled","Species_strain":"NA","Broad_taxon":"NA","MS_run":"Bacteria"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Poo_TruePooBacteria_Full3.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Poo_TruePooBacteria_Half1.mzML",
"Factors":{"Sample_type":"QC Pooled","Species_strain":"NA","Broad_taxon":"NA","MS_run":"Bacteria"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Poo_TruePooBacteria_Half1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Poo_TruePooBacteria_Half2.mzML",
"Factors":{"Sample_type":"QC Pooled","Species_strain":"NA","Broad_taxon":"NA","MS_run":"Bacteria"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Poo_TruePooBacteria_Half2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Poo_TruePooBacteria_Half3.mzML",
"Factors":{"Sample_type":"QC Pooled","Species_strain":"NA","Broad_taxon":"NA","MS_run":"Bacteria"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Poo_TruePooBacteria_Half3.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Smp_DSS3_A_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Ruegeria pomeroyi DSS-3","Broad_taxon":"Heterotrophic Bacteria","MS_run":"Bacteria"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Smp_DSS3_A_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Smp_DSS3_B_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Ruegeria pomeroyi DSS-3","Broad_taxon":"Heterotrophic Bacteria","MS_run":"Bacteria"},
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},
{
"Subject ID":"-",
"Sample ID":"220111_Smp_DSS3_C_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Ruegeria pomeroyi DSS-3","Broad_taxon":"Heterotrophic Bacteria","MS_run":"Bacteria"},
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},
{
"Subject ID":"-",
"Sample ID":"220111_Smp_Och_A_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Roseobacter denitrificans Och 114","Broad_taxon":"Heterotrophic Bacteria","MS_run":"Bacteria"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Smp_Och_A_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Smp_Och_B_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Roseobacter denitrificans Och 114","Broad_taxon":"Heterotrophic Bacteria","MS_run":"Bacteria"},
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},
{
"Subject ID":"-",
"Sample ID":"220111_Smp_Och_C_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Roseobacter denitrificans Och 114","Broad_taxon":"Heterotrophic Bacteria","MS_run":"Bacteria"},
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},
{
"Subject ID":"-",
"Sample ID":"220111_Smp_SA11_A_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Sulfitobacter (α) SA11","Broad_taxon":"Heterotrophic Bacteria","MS_run":"Bacteria"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Smp_SA11_A_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Smp_SA11_B_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Sulfitobacter (α) SA11","Broad_taxon":"Heterotrophic Bacteria","MS_run":"Bacteria"},
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},
{
"Subject ID":"-",
"Sample ID":"220111_Smp_SA11_C_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Sulfitobacter (α) SA11","Broad_taxon":"Heterotrophic Bacteria","MS_run":"Bacteria"},
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},
{
"Subject ID":"-",
"Sample ID":"220111_Smp_SA16_A_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Sulfitobacter (α) SA16","Broad_taxon":"Heterotrophic Bacteria","MS_run":"Bacteria"},
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},
{
"Subject ID":"-",
"Sample ID":"220111_Smp_SA16_B_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Sulfitobacter (α) SA16","Broad_taxon":"Heterotrophic Bacteria","MS_run":"Bacteria"},
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},
{
"Subject ID":"-",
"Sample ID":"220111_Smp_SA16_C_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Sulfitobacter (α) SA16","Broad_taxon":"Heterotrophic Bacteria","MS_run":"Bacteria"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Smp_SA16_C_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Smp_SA36_A_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Hyphomonas (α) SA36","Broad_taxon":"Heterotrophic Bacteria","MS_run":"Bacteria"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Smp_SA36_A_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Smp_SA36_B_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Hyphomonas (α) SA36","Broad_taxon":"Heterotrophic Bacteria","MS_run":"Bacteria"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Smp_SA36_B_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Smp_SA36_C_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Hyphomonas (α) SA36","Broad_taxon":"Heterotrophic Bacteria","MS_run":"Bacteria"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Smp_SA36_C_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Smp_SA42_A_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Sulfitobacter (α) SA44","Broad_taxon":"Heterotrophic Bacteria","MS_run":"Bacteria"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Smp_SA42_A_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Smp_SA44_B_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Sulfitobacter (α) SA44","Broad_taxon":"Heterotrophic Bacteria","MS_run":"Bacteria"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Smp_SA44_B_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Smp_SA44_C_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Sulfitobacter (α) SA44","Broad_taxon":"Heterotrophic Bacteria","MS_run":"Bacteria"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Smp_SA44_C_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Smp_SA48_A_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Sulfitobacter (α) SA48","Broad_taxon":"Heterotrophic Bacteria","MS_run":"Bacteria"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Smp_SA48_A_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Smp_SA48_B_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Sulfitobacter (α) SA48","Broad_taxon":"Heterotrophic Bacteria","MS_run":"Bacteria"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Smp_SA48_B_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Smp_SA48_C_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Sulfitobacter (α) SA48","Broad_taxon":"Heterotrophic Bacteria","MS_run":"Bacteria"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Smp_SA48_C_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Smp_SA53_A_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Sulfitobacter (α) SA53","Broad_taxon":"Heterotrophic Bacteria","MS_run":"Bacteria"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Smp_SA53_A_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Smp_SA53_B_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Sulfitobacter (α) SA53","Broad_taxon":"Heterotrophic Bacteria","MS_run":"Bacteria"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Smp_SA53_B_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Smp_SA53_C_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Sulfitobacter (α) SA53","Broad_taxon":"Heterotrophic Bacteria","MS_run":"Bacteria"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Smp_SA53_C_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Smp_SA55_A_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Marinobacter (γ) SA55","Broad_taxon":"Heterotrophic Bacteria","MS_run":"Bacteria"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Smp_SA55_A_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Smp_SA55_B_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Marinobacter (γ) SA55","Broad_taxon":"Heterotrophic Bacteria","MS_run":"Bacteria"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Smp_SA55_B_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Smp_SA55_C_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Marinobacter (γ) SA55","Broad_taxon":"Heterotrophic Bacteria","MS_run":"Bacteria"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Smp_SA55_C_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Smp_SA59_A_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Limnobacter (β) SA59","Broad_taxon":"Heterotrophic Bacteria","MS_run":"Bacteria"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Smp_SA59_A_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Smp_SA59_B_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Limnobacter (β) SA59","Broad_taxon":"Heterotrophic Bacteria","MS_run":"Bacteria"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Smp_SA59_B_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Smp_SA59_C_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Limnobacter (β) SA59","Broad_taxon":"Heterotrophic Bacteria","MS_run":"Bacteria"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Smp_SA59_C_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Smp_SA60_A_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Croceibacter (CFB) SA60","Broad_taxon":"Heterotrophic Bacteria","MS_run":"Bacteria"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Smp_SA60_A_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Smp_SA60_B_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Croceibacter (CFB) SA60","Broad_taxon":"Heterotrophic Bacteria","MS_run":"Bacteria"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Smp_SA60_B_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Smp_SA60_C_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Croceibacter (CFB) SA60","Broad_taxon":"Heterotrophic Bacteria","MS_run":"Bacteria"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Smp_SA60_C_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Smp_SA7_A_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Pseudoalteromonas (γ) SA7","Broad_taxon":"Heterotrophic Bacteria","MS_run":"Bacteria"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Smp_SA7_A_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Smp_SA7_B_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Pseudoalteromonas (γ) SA7","Broad_taxon":"Heterotrophic Bacteria","MS_run":"Bacteria"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Smp_SA7_B_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Smp_SA7_C_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Pseudoalteromonas (γ) SA7","Broad_taxon":"Heterotrophic Bacteria","MS_run":"Bacteria"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Smp_SA7_C_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Smp_SAR11_AB_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"SAR11","Broad_taxon":"Heterotrophic Bacteria","MS_run":"Bacteria"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Smp_SAR11_AB_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Smp_SAR11_C_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"SAR11","Broad_taxon":"Heterotrophic Bacteria","MS_run":"Bacteria"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Smp_SAR11_C_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Smp_SAR11_DE_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"SAR11","Broad_taxon":"Heterotrophic Bacteria","MS_run":"Bacteria"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Smp_SAR11_DE_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Smp_SAR11_F_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"SAR11","Broad_taxon":"Heterotrophic Bacteria","MS_run":"Bacteria"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Smp_SAR11_F_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Smp_SAR11_GH_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"SAR11","Broad_taxon":"Heterotrophic Bacteria","MS_run":"Bacteria"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Smp_SAR11_GH_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Smp_SAR11_I_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"SAR11","Broad_taxon":"Heterotrophic Bacteria","MS_run":"Bacteria"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Smp_SAR11_I_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Smp_SCM1_Exp1_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Nitrosopumilus maritimus","Broad_taxon":"Chemoautotrophs","MS_run":"Bacteria"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Smp_SCM1_Exp1_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Smp_SCM1_Exp2_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Nitrosopumilus maritimus","Broad_taxon":"Chemoautotrophs","MS_run":"Bacteria"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Smp_SCM1_Exp2_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Smp_SCM1_Exp3_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Nitrosopumilus maritimus","Broad_taxon":"Chemoautotrophs","MS_run":"Bacteria"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Smp_SCM1_Exp3_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Smp_SCM1_St1_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Nitrosopumilus maritimus","Broad_taxon":"Chemoautotrophs","MS_run":"Bacteria"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Smp_SCM1_St1_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Smp_SCM1_St2_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Nitrosopumilus maritimus","Broad_taxon":"Chemoautotrophs","MS_run":"Bacteria"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Smp_SCM1_St2_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Smp_SCM1_St3_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Nitrosopumilus maritimus","Broad_taxon":"Chemoautotrophs","MS_run":"Bacteria"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Smp_SCM1_St3_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Smp_SCM1_St4_pos.mzML",
"Factors":{"Sample_type":"Sample","Species_strain":"Nitrosopumilus maritimus","Broad_taxon":"Chemoautotrophs","MS_run":"Bacteria"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Smp_SCM1_St4_pos.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Std_4uMStdsMix1InH2O_1.mzML",
"Factors":{"Sample_type":"Standard mix","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Std_4uMStdsMix1InH2O_1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Std_4uMStdsMix1InH2O_2.mzML",
"Factors":{"Sample_type":"Standard mix","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Std_4uMStdsMix1InH2O_2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Std_4uMStdsMix1InMatrix_1.mzML",
"Factors":{"Sample_type":"Standard mix","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Std_4uMStdsMix1InMatrix_1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Std_4uMStdsMix1InMatrix_2.mzML",
"Factors":{"Sample_type":"Standard mix","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Std_4uMStdsMix1InMatrix_2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Std_4uMStdsMix2InH2O_1.mzML",
"Factors":{"Sample_type":"Standard mix","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Std_4uMStdsMix2InH2O_1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Std_4uMStdsMix2InH2O_2.mzML",
"Factors":{"Sample_type":"Standard mix","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Std_4uMStdsMix2InH2O_2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Std_4uMStdsMix2InMatrix_1.mzML",
"Factors":{"Sample_type":"Standard mix","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Std_4uMStdsMix2InMatrix_1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Std_4uMStdsMix2InMatrix_2.mzML",
"Factors":{"Sample_type":"Standard mix","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Std_4uMStdsMix2InMatrix_2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Std_H2OinMatrix_1.mzML",
"Factors":{"Sample_type":"Standard mix","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Std_H2OinMatrix_1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"220111_Std_H2OinMatrix_2.mzML",
"Factors":{"Sample_type":"Standard mix","Species_strain":"NA","Broad_taxon":"NA","MS_run":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"220111_Std_H2OinMatrix_2.mzML"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Cultures were harvested under exponential growth using a gentle vacuum filtration onto 47 mm Durapore filters (pore size 0.2 µm). Samples were flash frozen in liquid N2 and stored at -80°C until extraction for metabolites.","SAMPLE_TYPE":"Cultured cells"},

"TREATMENT":{"TREATMENT_SUMMARY":"Media, light, and temperature were chosen for optimal growth of each phytoplankton species. In short, cultures were grown in controlled laboratory settings and harvested under exponential growth using a gentle vacuum filtration onto 47 mm Durapore filters (pore size 0.2 µm). Samples were flash frozen in liquid N2 and stored at -80°C until extraction. In addition to samples, media blanks corresponding to each media type were harvested and served as a matrix blank to each corresponding phytoplankton sample."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Each sample was extracted using a modified Bligh-Dyer extraction. Briefly, filters were cut up and put into 15 mL teflon centrifuge tubes containing a mixture of 100 µm and 400 µm silica beads. Heavy isotope-labeled internal standards were added along with ~2 mL of cold aqueous solvent (50:50 methanol:water) and ~3 mL 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 bead-beating and a total of 30 minutes of chilling. The organic and aqueous layers were separated by spinning samples in a centrifuge at 4,300 rpm for 2 minutes 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 1 to 2 mL of cold 50:50 methanol:water. All aqueous rinses were combined for each sample and ~2mL of cold dichloromethane was added to the combined aqueous layer. Tubes were shaken and centrifuged at 4,300 rpm for 2 minutes at 4°C. The aqueous layer was removed to a new glass vial and dried under N2 gas. The remaining organic layer in the bead beating tubes was transferred into the glass centrifuge tube and the bead beating tube was rinsed two more times with cold organic solvent. The combined organic rinses were centrifuged, transferred to a new glass vial, 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. Media blanks were extracted alongside samples as methodological blanks.","PROCESSING_STORAGE_CONDITIONS":"On ice","EXTRACTION_METHOD":"Bligh-Dyer","EXTRACT_STORAGE":"-80℃"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"A SeQuant ZIC-pHILIC column (5 um 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 85:15 water to acetonitrile (Solvent B) at a flow rate of 0.15 mL/min. This column was compared with a Waters UPLC BEH amide and a Millipore cHILIC column; the pHILIC showed superior reproducibility and peak shapes. The column was held at 100% A for 2 minutes, ramped to 64% B over 18 minutes, ramped to 100% B over 1 minute, held at 100% B for 5 minutes, and equilibrated at 100% A for 25 minutes (50 minutes total). The column was maintained at 30 C. The injection volume was 2 µL for samples and standard mixes. When starting a batch, the column was equilibrated at the starting conditions for at least 30 minutes. To improve the performance of the HILIC column, we maintained the same injection volume, kept the instrument running water blanks between samples as necessary, and injected standards in a representative matrix in addition to standards in water. After each batch, the column was flushed with 10 mM ammonium carbonate in 85:15 water to acetonitrile for 20 to 30 minutes.","CHROMATOGRAPHY_TYPE":"HILIC","INSTRUMENT_NAME":"Waters Acquity I-Class","COLUMN_NAME":"SeQuant ZIC- pHILIC (150 x 2.1mm,5um)","SOLVENT_A":"85% acetonitrile/15% water; 10 mM ammonium carbonate","SOLVENT_B":"15% acetonitrile/85% water; 10 mM ammonium carbonate","FLOW_GRADIENT":"100% A for 2 minutes, ramped to 64% B over 18 minutes, ramped to 100% B over 1 minute, held at 100% B for 5 minutes, and equilibrated at 100% A for 25 minutes (50 minutes total)","FLOW_RATE":"0.15mL/min","COLUMN_TEMPERATURE":"30"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS"},

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive HF hybrid Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"Metabolomic data was collected on a Thermo Q Exactive HF hybrid Orbitrap mass spectrometer. The capillary and auxiliary gas heater temperatures were maintained at 320°C and 100°C, respectively. The S-lens RF level was kept at 65, the H-ESI voltage was set to 3.3 kV and sheath gas, auxiliary gas, and sweep gas flow rates were set at 16, 3, and 1, respectively. Polarity switching was used with a scan range of 60 to 900 m/z and a resolution of 60,000. Calibration was performed every 3-4 days at a target mass of 200 m/z. All files were then converted to an open-source mzML format and centroided via Proteowizard’s msConvert tool. Skyline was used to for manual integration and QC of quantified data, while XCMS was used with a custom QC method for peak area data and each feature manually reviewed.","MS_RESULTS_FILE":"ST002790_AN004540_Results.txt UNITS:normalized peak area per liter seawater filtered Has m/z:Yes Has RT:Yes RT units:Minutes"}

}