{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002077","ANALYSIS_ID":"AN003385","VERSION":"1","CREATED_ON":"02-08-2024"},

"PROJECT":{"PROJECT_TITLE":"LLNL microBiospheres SFA","PROJECT_SUMMARY":"Algal and plant systems have the unrivaled advantage of converting solar energy and CO2 into useful organic molecules. Their growth and efficiency are largely shaped by the microbial communities in and around them. The microbiospheres Biospheres SFA seeks to understand phototroph-heterotroph interactions that shape productivity, robustness, the balance of resource fluxes, and the functionality of the surrounding microbiome.","INSTITUTE":"Lawrence Livermore National Laboratory","LAST_NAME":"Brisson","FIRST_NAME":"Vanessa","ADDRESS":"7000 East Ave, Livermore, CA, 94550, USA","EMAIL":"brisson2@llnl.gov","PHONE":"5107177560","DOI":"http://dx.doi.org/10.21228/M8GH6P"},

"STUDY":{"STUDY_TITLE":"Dynamic Phaeodactylum tricornutum exometabolites","STUDY_SUMMARY":"Algal bacterial interactions in phycosphere microbial communities have important implications for the stability and productivity of algal biofuel systems, and algal metabolites are important mediators of those interactions. We characterized exometabolites and cell associated metabolites from the model diatom Phaeodactylum tricornutum across different growth stages.","INSTITUTE":"Lawrence Livermore National Laboratory","LAST_NAME":"Brisson","FIRST_NAME":"Vanessa","ADDRESS":"7000 East Ave, Livermore, CA, 94550, USA","EMAIL":"brisson2@llnl.gov","PHONE":"5107177560","SUBMIT_DATE":"2022-02-02"},

"SUBJECT":{"SUBJECT_TYPE":"Other organism","SUBJECT_SPECIES":"Phaeodactylum tricornutum"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"1_extr-ctrl--extr-ctrl-_1",
"Factors":{"Type":"extraction control","Time Point":"extraction control"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_1_extr-ctrl--extr-ctrl-_1_IR01_NA_082.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_1_extr-ctrl--extr-ctrl-_1_IR02_NA_083.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"2_extr-ctrl--extr-ctrl-_2",
"Factors":{"Type":"extraction control","Time Point":"extraction control"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_2_extr-ctrl--extr-ctrl-_2_IR01_NA_175.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_2_extr-ctrl--extr-ctrl-_2_IR02_NA_176.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"3_extr-ctrl--extr-ctrl-_3",
"Factors":{"Type":"extraction control","Time Point":"extraction control"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_3_extr-ctrl--extr-ctrl-_3_NA_010.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_3_extr-ctrl--extr-ctrl-_3_NA_011.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"4_extr-ctrl--extr-ctrl-_4",
"Factors":{"Type":"extraction control","Time Point":"extraction control"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_4_extr-ctrl--extr-ctrl-_4_IR01_NA_055.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_4_extr-ctrl--extr-ctrl-_4_IR02_NA_056.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"10_exudate-0d_2",
"Factors":{"Type":"exudate","Time Point":"0 days"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_10_exudate-0d_2_IR01_NA_085.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_10_exudate-0d_2_IR02_NA_086.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"11_exudate-0d_3",
"Factors":{"Type":"exudate","Time Point":"0 days"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_11_exudate-0d_3_IR01_NA_091.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_11_exudate-0d_3_IR02_NA_092.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"12_exudate-0d_4",
"Factors":{"Type":"exudate","Time Point":"0 days"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_12_exudate-0d_4_NA_016.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_12_exudate-0d_4_NA_017.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"9_exudate-0d_1",
"Factors":{"Type":"exudate","Time Point":"0 days"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_9_exudate-0d_1_IR01_NA_121.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_9_exudate-0d_1_IR02_NA_122.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"25_exudate-12d_1",
"Factors":{"Type":"exudate","Time Point":"12 days"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_25_exudate-12d_1_IR01_NA_109.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_25_exudate-12d_1_IR02_NA_110.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"26_exudate-12d_2",
"Factors":{"Type":"exudate","Time Point":"12 days"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_26_exudate-12d_2_IR01_NA_067.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_26_exudate-12d_2_IR02_NA_068.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"27_exudate-12d_3",
"Factors":{"Type":"exudate","Time Point":"12 days"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_27_exudate-12d_3_NA_025.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_27_exudate-12d_3_NA_026.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"28_exudate-12d_4",
"Factors":{"Type":"exudate","Time Point":"12 days"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_28_exudate-12d_4_IR01_NA_046.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_28_exudate-12d_4_IR02_NA_047.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"13_exudate-3d_1",
"Factors":{"Type":"exudate","Time Point":"3 days"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_13_exudate-3d_1_IR01_NA_103.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_13_exudate-3d_1_IR02_NA_104.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"14_exudate-3d_2",
"Factors":{"Type":"exudate","Time Point":"3 days"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_14_exudate-3d_2_IR01_NA_160.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_14_exudate-3d_2_IR02_NA_161.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"15_exudate-3d_3",
"Factors":{"Type":"exudate","Time Point":"3 days"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_15_exudate-3d_3_IR01_NA_178.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_15_exudate-3d_3_IR02_NA_179.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"16_exudate-3d_4",
"Factors":{"Type":"exudate","Time Point":"3 days"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_16_exudate-3d_4_IR01_NA_034.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_16_exudate-3d_4_IR02_NA_035.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"17_exudate-6d_1",
"Factors":{"Type":"exudate","Time Point":"6 days"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_17_exudate-6d_1_IR01_NA_166.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_17_exudate-6d_1_IR02_NA_167.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"18_exudate-6d_2",
"Factors":{"Type":"exudate","Time Point":"6 days"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_18_exudate-6d_2_IR01_NA_112.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_18_exudate-6d_2_IR02_NA_113.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"19_exudate-6d_3",
"Factors":{"Type":"exudate","Time Point":"6 days"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_19_exudate-6d_3_IR01_NA_070.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_19_exudate-6d_3_IR02_NA_071.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"20_exudate-6d_4",
"Factors":{"Type":"exudate","Time Point":"6 days"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_20_exudate-6d_4_IR01_NA_127.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_20_exudate-6d_4_IR02_NA_128.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"21_exudate-9d_1",
"Factors":{"Type":"exudate","Time Point":"9 days"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_21_exudate-9d_1_NA_019.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_21_exudate-9d_1_NA_020.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"22_exudate-9d_2",
"Factors":{"Type":"exudate","Time Point":"9 days"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_22_exudate-9d_2_IR01_NA_076.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_22_exudate-9d_2_IR02_NA_077.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"23_exudate-9d_3",
"Factors":{"Type":"exudate","Time Point":"9 days"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_23_exudate-9d_3_NA_028.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_23_exudate-9d_3_IR02_NA_029.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"24_exudate-9d_4",
"Factors":{"Type":"exudate","Time Point":"9 days"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_24_exudate-9d_4_IR01_NA_145.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_24_exudate-9d_4_IR02_NA_146.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"5_exudate-med-ctrl-_1",
"Factors":{"Type":"exudate","Time Point":"medium control"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_5_exudate-med-ctrl-_1_IR01_NA_148.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_5_exudate-med-ctrl-_1_IR02_NA_149.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"6_exudate-med-ctrl-_2",
"Factors":{"Type":"exudate","Time Point":"medium control"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_6_exudate-med-ctrl-_2_IR01_NA_151.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_6_exudate-med-ctrl-_2_IR02_NA_152.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"7_exudate-med-ctrl-_3",
"Factors":{"Type":"exudate","Time Point":"medium control"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_7_exudate-med-ctrl-_3_IR01_NA_031.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_7_exudate-med-ctrl-_3_IR02_NA_032.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"8_exudate-med-ctrl-_4",
"Factors":{"Type":"exudate","Time Point":"medium control"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_8_exudate-med-ctrl-_4_IR01_NA_064.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_8_exudate-med-ctrl-_4_IR02_NA_065.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"33_pellet-0d_1",
"Factors":{"Type":"pellet","Time Point":"0 days"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_33_pellet-0d_1_IR01_NA_088.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_33_pellet-0d_1_IR02_NA_089.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"34_pellet-0d_2",
"Factors":{"Type":"pellet","Time Point":"0 days"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_34_pellet-0d_2_IR01_NA_133.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_34_pellet-0d_2_IR02_NA_134.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"35_pellet-0d_3",
"Factors":{"Type":"pellet","Time Point":"0 days"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_35_pellet-0d_3_IR01_NA_118.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_35_pellet-0d_3_IR02_NA_119.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"36_pellet-0d_4",
"Factors":{"Type":"pellet","Time Point":"0 days"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_36_pellet-0d_4_NA_022.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_36_pellet-0d_4_NA_023.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"49_pellet-12d_1",
"Factors":{"Type":"pellet","Time Point":"12 days"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_49_pellet-12d_1_IR01_NA_142.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_49_pellet-12d_1_IR02_NA_143.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"50_pellet-12d_2",
"Factors":{"Type":"pellet","Time Point":"12 days"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_50_pellet-12d_2_IR01_NA_130.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_50_pellet-12d_2_IR02_NA_131.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"51_pellet-12d_3",
"Factors":{"Type":"pellet","Time Point":"12 days"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_51_pellet-12d_3_IR01_NA_058.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_51_pellet-12d_3_IR02_NA_059.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"52_pellet-12d_4",
"Factors":{"Type":"pellet","Time Point":"12 days"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_52_pellet-12d_4_IR01_NA_163.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_52_pellet-12d_4_IR02_NA_164.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"37_pellet-3d_1",
"Factors":{"Type":"pellet","Time Point":"3 days"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_37_pellet-3d_1_IR01_NA_097.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_37_pellet-3d_1_IR02_NA_098.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"38_pellet-3d_2",
"Factors":{"Type":"pellet","Time Point":"3 days"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_38_pellet-3d_2_IR01_NA_037.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_38_pellet-3d_2_IR02_NA_038.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"39_pellet-3d_3",
"Factors":{"Type":"pellet","Time Point":"3 days"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_39_pellet-3d_3_IR01_NA_115.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_39_pellet-3d_3_IR02_NA_116.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"40_pellet-3d_4",
"Factors":{"Type":"pellet","Time Point":"3 days"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_40_pellet-3d_4_IR01_NA_154.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_40_pellet-3d_4_IR02_NA_155.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"41_pellet-6d_1",
"Factors":{"Type":"pellet","Time Point":"6 days"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_41_pellet-6d_1_IR01_NA_052.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_41_pellet-6d_1_IR02_NA_053.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"42_pellet-6d_2",
"Factors":{"Type":"pellet","Time Point":"6 days"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_42_pellet-6d_2_IR01_NA_079.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_42_pellet-6d_2_IR02_NA_080.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"43_pellet-6d_3",
"Factors":{"Type":"pellet","Time Point":"6 days"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_43_pellet-6d_3_IR01_NA_136.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_43_pellet-6d_3_IR02_NA_137.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"44_pellet-6d_4",
"Factors":{"Type":"pellet","Time Point":"6 days"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_44_pellet-6d_4_IR01_NA_043.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_44_pellet-6d_4_IR02_NA_044.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"45_pellet-9d_1",
"Factors":{"Type":"pellet","Time Point":"9 days"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_45_pellet-9d_1_IR01_NA_157.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_45_pellet-9d_1_IR02_NA_158.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"46_pellet-9d_2",
"Factors":{"Type":"pellet","Time Point":"9 days"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_46_pellet-9d_2_IR01_NA_094.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_46_pellet-9d_2_IR02_NA_095.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"47_pellet-9d_3",
"Factors":{"Type":"pellet","Time Point":"9 days"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_47_pellet-9d_3_IR01_NA_061.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_47_pellet-9d_3_IR02_NA_062.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"48_pellet-9d_4",
"Factors":{"Type":"pellet","Time Point":"9 days"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_48_pellet-9d_4_IR01_NA_049.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_48_pellet-9d_4_IR02_NA_050.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"29_pellet-med-ctrl-_1",
"Factors":{"Type":"pellet","Time Point":"medium control"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_29_pellet-med-ctrl-_1_IR01_NA_124.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_29_pellet-med-ctrl-_1_IR02_NA_125.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"30_pellet-med-ctrl-_2",
"Factors":{"Type":"pellet","Time Point":"medium control"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_30_pellet-med-ctrl-_2_NA_013.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_30_pellet-med-ctrl-_2_NA_014.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"31_pellet-med-ctrl-_3",
"Factors":{"Type":"pellet","Time Point":"medium control"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_31_pellet-med-ctrl-_3_IR01_NA_169.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_31_pellet-med-ctrl-_3_IR02_NA_170.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"32_pellet-med-ctrl-_4",
"Factors":{"Type":"pellet","Time Point":"medium control"},
"Additional sample data":{"RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_POS_MSMS-v2_32_pellet-med-ctrl-_4_IR01_NA_100.mzML","RAW_FILE_NAME":"20190429_JJ_VB_BioSFA_Pttime_1_QE144_Ag68377-924_USHXG01160_NEG_MSMS-v2_32_pellet-med-ctrl-_4_IR02_NA_101.mzML"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Spent medium and cell pellets were collected from axenic Phaeodactylum tricornutum cultures at 5 time points: 0, 3, 6, 9, and 12 days after inoculation. Cultures from four replicate flasks were destructively harvested at each collection time point.","SAMPLE_TYPE":"Algae"},

"TREATMENT":{"TREATMENT_SUMMARY":"Treatments were different time points during algal growth: 0, 3, 6, 9, and 12 days after inoculation."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Cell pellets were disrupted for metabolite extraction by resuspension in sterile water, lyophilization, and grinding by vortexing with a sterilized steel ball. Disrupted pellets were resuspended in 50 mL sterile water, filtered, and frozen in the same manner as spent medium. Spent medium and cell pellet samples were extracted by solid phase extraction using Agilent Bond Elut PPL columns."},

"CHROMATOGRAPHY":{"INSTRUMENT_NAME":"Agilent 1290 Infinity","COLUMN_NAME":"Agilent InfinityLab Poroshell 120 HILIC-Z (150 x 2.1mm,2.7um)","CHROMATOGRAPHY_TYPE":"HILIC"},

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

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","MS_COMMENTS":"Metabolite identifications w ere obtained using Metabolite Atlas (https://github.com/biorack/metatlas) to identify features with m/z , retention time, and fragmentation spectra that matched to a library of analytical standards run in our lab under the same LC-MS/MS analysis conditions.","ION_MODE":"POSITIVE"},

"MS_METABOLITE_DATA":{
"Units":"metabolite quantification (peak height or area as denoted in metaboilite table)",

"Data":[{"Metabolite":"4-methoxyphenylacetic acid","1_extr-ctrl--extr-ctrl-_1":"76076.4400","2_extr-ctrl--extr-ctrl-_2":"54194.0000","3_extr-ctrl--extr-ctrl-_3":"97191.3600","4_extr-ctrl--extr-ctrl-_4":"77201.7300","10_exudate-0d_2":"164057.5800","11_exudate-0d_3":"54565.8600","12_exudate-0d_4":"154752.8400","9_exudate-0d_1":"153610.4800","25_exudate-12d_1":"326578.6900","26_exudate-12d_2":"3626882.5000","27_exudate-12d_3":"3710669.0000","28_exudate-12d_4":"7024959.0000","13_exudate-3d_1":"133187.0800","14_exudate-3d_2":"117707.6900","15_exudate-3d_3":"169296.9500","16_exudate-3d_4":"147287.6700","17_exudate-6d_1":"246918.4400","18_exudate-6d_2":"97891.0700","19_exudate-6d_3":"187817.0000","20_exudate-6d_4":"525086.9400","21_exudate-9d_1":"571457.8100","22_exudate-9d_2":"251983.8900","23_exudate-9d_3":"279659.1300","24_exudate-9d_4":"486149.5600","5_exudate-med-ctrl-_1":"133221.7200","6_exudate-med-ctrl-_2":"154310.4700","7_exudate-med-ctrl-_3":"79247.3700","8_exudate-med-ctrl-_4":"186210.5300","33_pellet-0d_1":"138828.7000","34_pellet-0d_2":"101327.6600","35_pellet-0d_3":"57237.1900","36_pellet-0d_4":"85170.8100","49_pellet-12d_1":"1597246.5000","50_pellet-12d_2":"2224006.7500","51_pellet-12d_3":"285463.4400","52_pellet-12d_4":"1369655.1300","37_pellet-3d_1":"72374.7800","38_pellet-3d_2":"104091.4500","39_pellet-3d_3":"91876.0900","40_pellet-3d_4":"64467.1200","41_pellet-6d_1":"92812.1000","42_pellet-6d_2":"95935.2700","43_pellet-6d_3":"128154.5000","44_pellet-6d_4":"103113.3900","45_pellet-9d_1":"548905.5000","46_pellet-9d_2":"279246.8800","47_pellet-9d_3":"251813.7800","48_pellet-9d_4":"817177.3800","29_pellet-med-ctrl-_1":"52800.7000","30_pellet-med-ctrl-_2":"108291.2700","31_pellet-med-ctrl-_3":"54880.8300","32_pellet-med-ctrl-_4":"65396.7300"},{"Metabolite":"5^-methylthioadenosine","1_extr-ctrl--extr-ctrl-_1":"43735.5100","2_extr-ctrl--extr-ctrl-_2":"23201.1500","3_extr-ctrl--extr-ctrl-_3":"19565.4100","4_extr-ctrl--extr-ctrl-_4":"58066.9500","10_exudate-0d_2":"875319.7500","11_exudate-0d_3":"210676.4800","12_exudate-0d_4":"436794.4400","9_exudate-0d_1":"490552.0900","25_exudate-12d_1":"312974400.0000","26_exudate-12d_2":"310464448.0000","27_exudate-12d_3":"273161216.0000","28_exudate-12d_4":"270553248.0000","13_exudate-3d_1":"14372192.0000","14_exudate-3d_2":"10717277.0000","15_exudate-3d_3":"17060702.0000","16_exudate-3d_4":"13904259.0000","17_exudate-6d_1":"119638024.0000","18_exudate-6d_2":"100057832.0000","19_exudate-6d_3":"140312768.0000","20_exudate-6d_4":"108914080.0000","21_exudate-9d_1":"313196800.0000","22_exudate-9d_2":"325169792.0000","23_exudate-9d_3":"305117280.0000","24_exudate-9d_4":"246784400.0000","5_exudate-med-ctrl-_1":"39204.1400","6_exudate-med-ctrl-_2":"","7_exudate-med-ctrl-_3":"56637.2700","8_exudate-med-ctrl-_4":"226747.3300","33_pellet-0d_1":"85144.9800","34_pellet-0d_2":"350062.4700","35_pellet-0d_3":"429586.3800","36_pellet-0d_4":"63951.9300","49_pellet-12d_1":"30989888.0000","50_pellet-12d_2":"45313212.0000","51_pellet-12d_3":"78086144.0000","52_pellet-12d_4":"52921124.0000","37_pellet-3d_1":"3527129.2500","38_pellet-3d_2":"1380226.1300","39_pellet-3d_3":"1542916.3800","40_pellet-3d_4":"2798660.5000","41_pellet-6d_1":"75399408.0000","42_pellet-6d_2":"101479552.0000","43_pellet-6d_3":"89157704.0000","44_pellet-6d_4":"122784288.0000","45_pellet-9d_1":"73497664.0000","46_pellet-9d_2":"116052552.0000","47_pellet-9d_3":"75618376.0000","48_pellet-9d_4":"71115968.0000","29_pellet-med-ctrl-_1":"35673.3700","30_pellet-med-ctrl-_2":"","31_pellet-med-ctrl-_3":"","32_pellet-med-ctrl-_4":"39671.2700"},{"Metabolite":"(5^ 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}