{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001912","ANALYSIS_ID":"AN003110","VERSION":"1","CREATED_ON":"02-08-2024"},

"PROJECT":{"PROJECT_TITLE":"LLNL Biofuels SFA","PROJECT_SUMMARY":"The LLNL Biofuels SFA brings a systems biology approach to understanding interactions and resource allocation in bioenergy-relevant microbial communities.","INSTITUTE":"Lawrence Berkeley National Laboratory","LAST_NAME":"Brisson","FIRST_NAME":"Vanessa","ADDRESS":"7000 East Ave, Livermore, CA, 94550, USA","EMAIL":"vlbrisson@lbl.gov","PHONE":"510-717-7560","FUNDING_SOURCE":"DOE","DOI":"http://dx.doi.org/10.21228/M8TD6R"},

"STUDY":{"STUDY_TITLE":"Identification of effector metabolites using exometabolite profiling of diverse microalgae","STUDY_SUMMARY":"We conducted an untargeted metabolomic analysis of non-polar exometabolites from four phylogenetically and ecologically diverse eukaryotic microalgal strains grown in the laboratory: freshwater Chlamydomonas reinhardtii, brackish Desmodesmus sp., marine Phaeodactylum tricornutum, and marine Microchloropsis salina. We analyzed both exometabolomes and cell pellet metabolomes to identify released metabolites based on relative enrichment in the exometabolomes.","INSTITUTE":"Lawrence Berkeley National Laboratory","LAST_NAME":"Brisson","FIRST_NAME":"Vanessa","ADDRESS":"7000 East Ave, Livermore, CA, 94550, USA","EMAIL":"brisson2@llnl.gov","PHONE":"5107177560","SUBMIT_DATE":"2021-08-23"},

"SUBJECT":{"SUBJECT_TYPE":"Algae","SUBJECT_SPECIES":"Chlamydomonas reinhardtii;Desmodesmus sp.;Phaeodactylum tricornutum;Microchloropsis salina","TAXONOMY_ID":"3055;91202;2950;2511165"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"76_E-FW-Cr-Inc_1",
"Factors":{"Type":"E - exometabolome","Medium":"FW - freshwater","Algal strain or abiotic control condition":"Cr - Chlamydomonas reinhardtii","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_76_E-FW-Cr-Inc_1__59.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_76_E-FW-Cr-Inc_1__58.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"77_E-FW-Cr-Inc_2",
"Factors":{"Type":"E - exometabolome","Medium":"FW - freshwater","Algal strain or abiotic control condition":"Cr - Chlamydomonas reinhardtii","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_77_E-FW-Cr-Inc_2__152.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_77_E-FW-Cr-Inc_2__151.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"78_E-FW-Cr-Inc_3",
"Factors":{"Type":"E - exometabolome","Medium":"FW - freshwater","Algal strain or abiotic control condition":"Cr - Chlamydomonas reinhardtii","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_78_E-FW-Cr-Inc_3__50.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_78_E-FW-Cr-Inc_3__49.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"79_E-FW-Cr-Inc_4",
"Factors":{"Type":"E - exometabolome","Medium":"FW - freshwater","Algal strain or abiotic control condition":"Cr - Chlamydomonas reinhardtii","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_79_E-FW-Cr-Inc_4__284.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_79_E-FW-Cr-Inc_4__283.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"80_E-FW-Cr-Inc_5",
"Factors":{"Type":"E - exometabolome","Medium":"FW - freshwater","Algal strain or abiotic control condition":"Cr - Chlamydomonas reinhardtii","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_80_E-FW-Cr-Inc_5__20.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_80_E-FW-Cr-Inc_5__19.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"86_E-FW-DF-Inc_1",
"Factors":{"Type":"E - exometabolome","Medium":"FW - freshwater","Algal strain or abiotic control condition":"DF - Desmodesmus sp.","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_86_E-FW-DF-Inc_1__143.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_86_E-FW-DF-Inc_1__142.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"87_E-FW-DF-Inc_2",
"Factors":{"Type":"E - exometabolome","Medium":"FW - freshwater","Algal strain or abiotic control condition":"DF - Desmodesmus sp.","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_87_E-FW-DF-Inc_2__26.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_87_E-FW-DF-Inc_2__25.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"88_E-FW-DF-Inc_3",
"Factors":{"Type":"E - exometabolome","Medium":"FW - freshwater","Algal strain or abiotic control condition":"DF - Desmodesmus sp.","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_88_E-FW-DF-Inc_3__269.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_88_E-FW-DF-Inc_3__268.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"89_E-FW-DF-Inc_4",
"Factors":{"Type":"E - exometabolome","Medium":"FW - freshwater","Algal strain or abiotic control condition":"DF - Desmodesmus sp.","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_89_E-FW-DF-Inc_4__53.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_89_E-FW-DF-Inc_4__52.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"90_E-FW-DF-Inc_5",
"Factors":{"Type":"E - exometabolome","Medium":"FW - freshwater","Algal strain or abiotic control condition":"DF - Desmodesmus sp.","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_90_E-FW-DF-Inc_5__17.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_90_E-FW-DF-Inc_5__16.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"66_E-FW-TxCtrl-Inc_1",
"Factors":{"Type":"E - exometabolome","Medium":"FW - freshwater","Algal strain or abiotic control condition":"TxCtrl - treatment control","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_66_E-FW-TxCtrl-Inc_1__125.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_66_E-FW-TxCtrl-Inc_1__124.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"67_E-FW-TxCtrl-Inc_2",
"Factors":{"Type":"E - exometabolome","Medium":"FW - freshwater","Algal strain or abiotic control condition":"TxCtrl - treatment control","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_67_E-FW-TxCtrl-Inc_2__215.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_67_E-FW-TxCtrl-Inc_2__214.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"68_E-FW-TxCtrl-Inc_3",
"Factors":{"Type":"E - exometabolome","Medium":"FW - freshwater","Algal strain or abiotic control condition":"TxCtrl - treatment control","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_68_E-FW-TxCtrl-Inc_3__320.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_68_E-FW-TxCtrl-Inc_3__319.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"69_E-FW-TxCtrl-Inc_4",
"Factors":{"Type":"E - exometabolome","Medium":"FW - freshwater","Algal strain or abiotic control condition":"TxCtrl - treatment control","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_69_E-FW-TxCtrl-Inc_4__188.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_69_E-FW-TxCtrl-Inc_4__187.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"70_E-FW-TxCtrl-Inc_5",
"Factors":{"Type":"E - exometabolome","Medium":"FW - freshwater","Algal strain or abiotic control condition":"TxCtrl - treatment control","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_70_E-FW-TxCtrl-Inc_5__110.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_70_E-FW-TxCtrl-Inc_5__109.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"56_E-FW-TxCtrl-noInc_1",
"Factors":{"Type":"E - exometabolome","Medium":"FW - freshwater","Algal strain or abiotic control condition":"TxCtrl - treatment control","Incubation":"noInc - not incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_56_E-FW-TxCtrl-noInc_1__266.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_56_E-FW-TxCtrl-noInc_1__265.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"57_E-FW-TxCtrl-noInc_2",
"Factors":{"Type":"E - exometabolome","Medium":"FW - freshwater","Algal strain or abiotic control condition":"TxCtrl - treatment control","Incubation":"noInc - not incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_57_E-FW-TxCtrl-noInc_2__35.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_57_E-FW-TxCtrl-noInc_2__34.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"58_E-FW-TxCtrl-noInc_3",
"Factors":{"Type":"E - exometabolome","Medium":"FW - freshwater","Algal strain or abiotic control condition":"TxCtrl - treatment control","Incubation":"noInc - not incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_58_E-FW-TxCtrl-noInc_3__260.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_58_E-FW-TxCtrl-noInc_3__259.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"59_E-FW-TxCtrl-noInc_4",
"Factors":{"Type":"E - exometabolome","Medium":"FW - freshwater","Algal strain or abiotic control condition":"TxCtrl - treatment control","Incubation":"noInc - not incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_59_E-FW-TxCtrl-noInc_4__131.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_59_E-FW-TxCtrl-noInc_4__130.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"60_E-FW-TxCtrl-noInc_5",
"Factors":{"Type":"E - exometabolome","Medium":"FW - freshwater","Algal strain or abiotic control condition":"TxCtrl - treatment control","Incubation":"noInc - not incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_60_E-FW-TxCtrl-noInc_5__179.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_60_E-FW-TxCtrl-noInc_5__178.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"46_E-SW-DS-Inc_1",
"Factors":{"Type":"E - exometabolome","Medium":"SW - saltwater","Algal strain or abiotic control condition":"DS - Desmodesmus sp.","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_46_E-SW-DS-Inc_1__197.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_46_E-SW-DS-Inc_1__196.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"47_E-SW-DS-Inc_2",
"Factors":{"Type":"E - exometabolome","Medium":"SW - saltwater","Algal strain or abiotic control condition":"DS - Desmodesmus sp.","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_47_E-SW-DS-Inc_2__203.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_47_E-SW-DS-Inc_2__202.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"48_E-SW-DS-Inc_3",
"Factors":{"Type":"E - exometabolome","Medium":"SW - saltwater","Algal strain or abiotic control condition":"DS - Desmodesmus sp.","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_48_E-SW-DS-Inc_3__236.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_48_E-SW-DS-Inc_3__235.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"49_E-SW-DS-Inc_4",
"Factors":{"Type":"E - exometabolome","Medium":"SW - saltwater","Algal strain or abiotic control condition":"DS - Desmodesmus sp.","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_49_E-SW-DS-Inc_4__65.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_49_E-SW-DS-Inc_4__64.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"50_E-SW-DS-Inc_5",
"Factors":{"Type":"E - exometabolome","Medium":"SW - saltwater","Algal strain or abiotic control condition":"DS - Desmodesmus sp.","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_50_E-SW-DS-Inc_5__218.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_50_E-SW-DS-Inc_5__217.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"36_E-SW-Ms-Inc_1",
"Factors":{"Type":"E - exometabolome","Medium":"SW - saltwater","Algal strain or abiotic control condition":"Ms - Microchloropsis salina","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_36_E-SW-Ms-Inc_1__101.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_36_E-SW-Ms-Inc_1__100.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"37_E-SW-Ms-Inc_2",
"Factors":{"Type":"E - exometabolome","Medium":"SW - saltwater","Algal strain or abiotic control condition":"Ms - Microchloropsis salina","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_37_E-SW-Ms-Inc_2__290.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_37_E-SW-Ms-Inc_2__289.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"38_E-SW-Ms-Inc_3",
"Factors":{"Type":"E - exometabolome","Medium":"SW - saltwater","Algal strain or abiotic control condition":"Ms - Microchloropsis salina","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_38_E-SW-Ms-Inc_3__71.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_38_E-SW-Ms-Inc_3__70.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"39_E-SW-Ms-Inc_4",
"Factors":{"Type":"E - exometabolome","Medium":"SW - saltwater","Algal strain or abiotic control condition":"Ms - Microchloropsis salina","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_39_E-SW-Ms-Inc_4__164.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_39_E-SW-Ms-Inc_4__163.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"40_E-SW-Ms-Inc_5",
"Factors":{"Type":"E - exometabolome","Medium":"SW - saltwater","Algal strain or abiotic control condition":"Ms - Microchloropsis salina","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_40_E-SW-Ms-Inc_5__113.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_40_E-SW-Ms-Inc_5__112.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"26_E-SW-Pt-Inc_1",
"Factors":{"Type":"E - exometabolome","Medium":"SW - saltwater","Algal strain or abiotic control condition":"Pt - Phaeodactylum trocornutum","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_26_E-SW-Pt-Inc_1__122.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_26_E-SW-Pt-Inc_1__121.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"27_E-SW-Pt-Inc_2",
"Factors":{"Type":"E - exometabolome","Medium":"SW - saltwater","Algal strain or abiotic control condition":"Pt - Phaeodactylum trocornutum","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_27_E-SW-Pt-Inc_2__296.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_27_E-SW-Pt-Inc_2__295.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"28_E-SW-Pt-Inc_3",
"Factors":{"Type":"E - exometabolome","Medium":"SW - saltwater","Algal strain or abiotic control condition":"Pt - Phaeodactylum trocornutum","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_28_E-SW-Pt-Inc_3__308.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_28_E-SW-Pt-Inc_3__307.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"29_E-SW-Pt-Inc_4",
"Factors":{"Type":"E - exometabolome","Medium":"SW - saltwater","Algal strain or abiotic control condition":"Pt - Phaeodactylum trocornutum","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_29_E-SW-Pt-Inc_4__128.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_29_E-SW-Pt-Inc_4__127.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"30_E-SW-Pt-Inc_5",
"Factors":{"Type":"E - exometabolome","Medium":"SW - saltwater","Algal strain or abiotic control condition":"Pt - Phaeodactylum trocornutum","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_30_E-SW-Pt-Inc_5__230.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_30_E-SW-Pt-Inc_5__229.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"16_E-SW-TxCtrl-Inc_1",
"Factors":{"Type":"E - exometabolome","Medium":"SW - saltwater","Algal strain or abiotic control condition":"TxCtrl - treatment control","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_16_E-SW-TxCtrl-Inc_1__302.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_16_E-SW-TxCtrl-Inc_1__301.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"17_E-SW-TxCtrl-Inc_2",
"Factors":{"Type":"E - exometabolome","Medium":"SW - saltwater","Algal strain or abiotic control condition":"TxCtrl - treatment control","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_17_E-SW-TxCtrl-Inc_2__95.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_17_E-SW-TxCtrl-Inc_2__94.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"18_E-SW-TxCtrl-Inc_3",
"Factors":{"Type":"E - exometabolome","Medium":"SW - saltwater","Algal strain or abiotic control condition":"TxCtrl - treatment control","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_18_E-SW-TxCtrl-Inc_3__167.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_18_E-SW-TxCtrl-Inc_3__166.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"19_E-SW-TxCtrl-Inc_4",
"Factors":{"Type":"E - exometabolome","Medium":"SW - saltwater","Algal strain or abiotic control condition":"TxCtrl - treatment control","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_19_E-SW-TxCtrl-Inc_4__32.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_19_E-SW-TxCtrl-Inc_4__31.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"20_E-SW-TxCtrl-Inc_5",
"Factors":{"Type":"E - exometabolome","Medium":"SW - saltwater","Algal strain or abiotic control condition":"TxCtrl - treatment control","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_20_E-SW-TxCtrl-Inc_5__146.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_20_E-SW-TxCtrl-Inc_5__145.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"10_E-SW-TxCtrl-noInc_5",
"Factors":{"Type":"E - exometabolome","Medium":"SW - saltwater","Algal strain or abiotic control condition":"TxCtrl - treatment control","Incubation":"noInc - not incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_10_E-SW-TxCtrl-noInc_5__29.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_10_E-SW-TxCtrl-noInc_5__28.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"6_E-SW-TxCtrl-noInc_1",
"Factors":{"Type":"E - exometabolome","Medium":"SW - saltwater","Algal strain or abiotic control condition":"TxCtrl - treatment control","Incubation":"noInc - not incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_6_E-SW-TxCtrl-noInc_1__170.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_6_E-SW-TxCtrl-noInc_1__169.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"7_E-SW-TxCtrl-noInc_2",
"Factors":{"Type":"E - exometabolome","Medium":"SW - saltwater","Algal strain or abiotic control condition":"TxCtrl - treatment control","Incubation":"noInc - not incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_7_E-SW-TxCtrl-noInc_2__254.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_7_E-SW-TxCtrl-noInc_2__253.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"8_E-SW-TxCtrl-noInc_3",
"Factors":{"Type":"E - exometabolome","Medium":"SW - saltwater","Algal strain or abiotic control condition":"TxCtrl - treatment control","Incubation":"noInc - not incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_8_E-SW-TxCtrl-noInc_3__137.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_8_E-SW-TxCtrl-noInc_3__136.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"9_E-SW-TxCtrl-noInc_4",
"Factors":{"Type":"E - exometabolome","Medium":"SW - saltwater","Algal strain or abiotic control condition":"TxCtrl - treatment control","Incubation":"noInc - not incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_9_E-SW-TxCtrl-noInc_4__185.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_9_E-SW-TxCtrl-noInc_4__184.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"1_none-none-ExCtrl-noInc_1",
"Factors":{"Type":"none","Medium":"none","Algal strain or abiotic control condition":"ExCtrl - extraxtion control","Incubation":"noInc - not incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_1_none-none-ExCtrl-noInc_1__14.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_1_none-none-ExCtrl-noInc_1__13.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"2_none-none-ExCtrl-noInc_2",
"Factors":{"Type":"none","Medium":"none","Algal strain or abiotic control condition":"ExCtrl - extraxtion control","Incubation":"noInc - not incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_2_none-none-ExCtrl-noInc_2__119.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_2_none-none-ExCtrl-noInc_2__118.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"3_none-none-ExCtrl-noInc_3",
"Factors":{"Type":"none","Medium":"none","Algal strain or abiotic control condition":"ExCtrl - extraxtion control","Incubation":"noInc - not incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_3_none-none-ExCtrl-noInc_3__275.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_3_none-none-ExCtrl-noInc_3__274.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"4_none-none-ExCtrl-noInc_4",
"Factors":{"Type":"none","Medium":"none","Algal strain or abiotic control condition":"ExCtrl - extraxtion control","Incubation":"noInc - not incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_4_none-none-ExCtrl-noInc_4__224.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_4_none-none-ExCtrl-noInc_4__223.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"5_none-none-ExCtrl-noInc_5",
"Factors":{"Type":"none","Medium":"none","Algal strain or abiotic control condition":"ExCtrl - extraxtion control","Incubation":"noInc - not incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_5_none-none-ExCtrl-noInc_5__191.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_5_none-none-ExCtrl-noInc_5__190.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"81_P-FW-Cr-Inc_1",
"Factors":{"Type":"P - pellet","Medium":"FW - freshwater","Algal strain or abiotic control condition":"Cr - Chlamydomonas reinhardtii","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_81_P-FW-Cr-Inc_1__98.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_81_P-FW-Cr-Inc_1__97.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"82_P-FW-Cr-Inc_2",
"Factors":{"Type":"P - pellet","Medium":"FW - freshwater","Algal strain or abiotic control condition":"Cr - Chlamydomonas reinhardtii","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_82_P-FW-Cr-Inc_2__176.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_82_P-FW-Cr-Inc_2__175.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"83_P-FW-Cr-Inc_3",
"Factors":{"Type":"P - pellet","Medium":"FW - freshwater","Algal strain or abiotic control condition":"Cr - Chlamydomonas reinhardtii","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_83_P-FW-Cr-Inc_3__314.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_83_P-FW-Cr-Inc_3__313.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"84_P-FW-Cr-Inc_4",
"Factors":{"Type":"P - pellet","Medium":"FW - freshwater","Algal strain or abiotic control condition":"Cr - Chlamydomonas reinhardtii","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_84_P-FW-Cr-Inc_4__47.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_84_P-FW-Cr-Inc_4__46.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"85_P-FW-Cr-Inc_5",
"Factors":{"Type":"P - pellet","Medium":"FW - freshwater","Algal strain or abiotic control condition":"Cr - Chlamydomonas reinhardtii","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_85_P-FW-Cr-Inc_5__287.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_85_P-FW-Cr-Inc_5__286.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"91_P-FW-DF-Inc_1",
"Factors":{"Type":"P - pellet","Medium":"FW - freshwater","Algal strain or abiotic control condition":"DF - Desmodesmus sp.","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_91_P-FW-DF-Inc_1__311.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_91_P-FW-DF-Inc_1__310.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"92_P-FW-DF-Inc_2",
"Factors":{"Type":"P - pellet","Medium":"FW - freshwater","Algal strain or abiotic control condition":"DF - Desmodesmus sp.","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_92_P-FW-DF-Inc_2__194.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_92_P-FW-DF-Inc_2__193.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"93_P-FW-DF-Inc_3",
"Factors":{"Type":"P - pellet","Medium":"FW - freshwater","Algal strain or abiotic control condition":"DF - Desmodesmus sp.","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_93_P-FW-DF-Inc_3__80.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_93_P-FW-DF-Inc_3__79.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"94_P-FW-DF-Inc_4",
"Factors":{"Type":"P - pellet","Medium":"FW - freshwater","Algal strain or abiotic control condition":"DF - Desmodesmus sp.","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_94_P-FW-DF-Inc_4__89.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_94_P-FW-DF-Inc_4__88.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"95_P-FW-DF-Inc_5",
"Factors":{"Type":"P - pellet","Medium":"FW - freshwater","Algal strain or abiotic control condition":"DF - Desmodesmus sp.","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_95_P-FW-DF-Inc_5__212.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_95_P-FW-DF-Inc_5__211.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"71_P-FW-TxCtrl-Inc_1",
"Factors":{"Type":"P - pellet","Medium":"FW - freshwater","Algal strain or abiotic control condition":"TxCtrl - treatment control","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_71_P-FW-TxCtrl-Inc_1__299.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_71_P-FW-TxCtrl-Inc_1__298.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"72_P-FW-TxCtrl-Inc_2",
"Factors":{"Type":"P - pellet","Medium":"FW - freshwater","Algal strain or abiotic control condition":"TxCtrl - treatment control","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_72_P-FW-TxCtrl-Inc_2__77.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_72_P-FW-TxCtrl-Inc_2__76.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"73_P-FW-TxCtrl-Inc_3",
"Factors":{"Type":"P - pellet","Medium":"FW - freshwater","Algal strain or abiotic control condition":"TxCtrl - treatment control","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_73_P-FW-TxCtrl-Inc_3__227.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_73_P-FW-TxCtrl-Inc_3__226.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"74_P-FW-TxCtrl-Inc_4",
"Factors":{"Type":"P - pellet","Medium":"FW - freshwater","Algal strain or abiotic control condition":"TxCtrl - treatment control","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_74_P-FW-TxCtrl-Inc_4__251.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_74_P-FW-TxCtrl-Inc_4__250.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"95_P-FW-TxCtrl-Inc_5",
"Factors":{"Type":"P - pellet","Medium":"FW - freshwater","Algal strain or abiotic control condition":"TxCtrl - treatment control","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_95_P-FW-TxCtrl-Inc_5__23.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_95_P-FW-TxCtrl-Inc_5__22.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"61_P-FW-TxCtrl-noInc_1",
"Factors":{"Type":"P - pellet","Medium":"FW - freshwater","Algal strain or abiotic control condition":"TxCtrl - treatment control","Incubation":"noInc - not incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_61_P-FW-TxCtrl-noInc_1__200.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_61_P-FW-TxCtrl-noInc_1__199.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"62_P-FW-TxCtrl-noInc_2",
"Factors":{"Type":"P - pellet","Medium":"FW - freshwater","Algal strain or abiotic control condition":"TxCtrl - treatment control","Incubation":"noInc - not incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_62_P-FW-TxCtrl-noInc_2__149.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_62_P-FW-TxCtrl-noInc_2__148.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"63_P-FW-TxCtrl-noInc_3",
"Factors":{"Type":"P - pellet","Medium":"FW - freshwater","Algal strain or abiotic control condition":"TxCtrl - treatment control","Incubation":"noInc - not incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_63_P-FW-TxCtrl-noInc_3__281.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_63_P-FW-TxCtrl-noInc_3__280.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"64_P-FW-TxCtrl-noInc_4",
"Factors":{"Type":"P - pellet","Medium":"FW - freshwater","Algal strain or abiotic control condition":"TxCtrl - treatment control","Incubation":"noInc - not incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_64_P-FW-TxCtrl-noInc_4__38.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_64_P-FW-TxCtrl-noInc_4__37.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"65_P-FW-TxCtrl-noInc_5",
"Factors":{"Type":"P - pellet","Medium":"FW - freshwater","Algal strain or abiotic control condition":"TxCtrl - treatment control","Incubation":"noInc - not incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_65_P-FW-TxCtrl-noInc_5__104.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_65_P-FW-TxCtrl-noInc_5__103.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"51_P-SW-DS-Inc_1",
"Factors":{"Type":"P - pellet","Medium":"SW - saltwater","Algal strain or abiotic control condition":"DS - Desmodesmus sp.","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_51_P-SW-DS-Inc_1__233.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_51_P-SW-DS-Inc_1__232.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"52_P-SW-DS-Inc_2",
"Factors":{"Type":"P - pellet","Medium":"SW - saltwater","Algal strain or abiotic control condition":"DS - Desmodesmus sp.","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_52_P-SW-DS-Inc_2__134.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_52_P-SW-DS-Inc_2__133.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"53_P-SW-DS-Inc_3",
"Factors":{"Type":"P - pellet","Medium":"SW - saltwater","Algal strain or abiotic control condition":"DS - Desmodesmus sp.","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_53_P-SW-DS-Inc_3__116.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_53_P-SW-DS-Inc_3__115.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"54_P-SW-DS-Inc_4",
"Factors":{"Type":"P - pellet","Medium":"SW - saltwater","Algal strain or abiotic control condition":"DS - Desmodesmus sp.","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_54_P-SW-DS-Inc_4__257.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_54_P-SW-DS-Inc_4__256.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"55_P-SW-DS-Inc_5",
"Factors":{"Type":"P - pellet","Medium":"SW - saltwater","Algal strain or abiotic control condition":"DS - Desmodesmus sp.","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_55_P-SW-DS-Inc_5__92.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_55_P-SW-DS-Inc_5__91.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"41_P-SW-Ms-Inc_1",
"Factors":{"Type":"P - pellet","Medium":"SW - saltwater","Algal strain or abiotic control condition":"Ms - Microchloropsis salina","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_41_P-SW-Ms-Inc_1__155.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_41_P-SW-Ms-Inc_1__154.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"42_P-SW-Ms-Inc_2",
"Factors":{"Type":"P - pellet","Medium":"SW - saltwater","Algal strain or abiotic control condition":"Ms - Microchloropsis salina","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_42_P-SW-Ms-Inc_2__245.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_42_P-SW-Ms-Inc_2__244.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"43_P-SW-Ms-Inc_3",
"Factors":{"Type":"P - pellet","Medium":"SW - saltwater","Algal strain or abiotic control condition":"Ms - Microchloropsis salina","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_43_P-SW-Ms-Inc_3__221.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_43_P-SW-Ms-Inc_3__220.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"44_P-SW-Ms-Inc_4",
"Factors":{"Type":"P - pellet","Medium":"SW - saltwater","Algal strain or abiotic control condition":"Ms - Microchloropsis salina","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_44_P-SW-Ms-Inc_4__44.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_44_P-SW-Ms-Inc_4__43.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"45_P-SW-Ms-Inc_5",
"Factors":{"Type":"P - pellet","Medium":"SW - saltwater","Algal strain or abiotic control condition":"Ms - Microchloropsis salina","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_45_P-SW-Ms-Inc_5__83.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_45_P-SW-Ms-Inc_5__82.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"31_P-SW-Pt-Inc_1",
"Factors":{"Type":"P - pellet","Medium":"SW - saltwater","Algal strain or abiotic control condition":"Pt - Phaeodactylum trocornutum","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_31_P-SW-Pt-Inc_1__317.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_31_P-SW-Pt-Inc_1__316.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"32_P-SW-Pt-Inc_2",
"Factors":{"Type":"P - pellet","Medium":"SW - saltwater","Algal strain or abiotic control condition":"Pt - Phaeodactylum trocornutum","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_32_P-SW-Pt-Inc_2__248.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_32_P-SW-Pt-Inc_2__247.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"33_P-SW-Pt-Inc_3",
"Factors":{"Type":"P - pellet","Medium":"SW - saltwater","Algal strain or abiotic control condition":"Pt - Phaeodactylum trocornutum","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_33_P-SW-Pt-Inc_3__263.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_33_P-SW-Pt-Inc_3__262.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"34_P-SW-Pt-Inc_4",
"Factors":{"Type":"P - pellet","Medium":"SW - saltwater","Algal strain or abiotic control condition":"Pt - Phaeodactylum trocornutum","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_34_P-SW-Pt-Inc_4__11.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_34_P-SW-Pt-Inc_4__10.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"35_P-SW-Pt-Inc_5",
"Factors":{"Type":"P - pellet","Medium":"SW - saltwater","Algal strain or abiotic control condition":"Pt - Phaeodactylum trocornutum","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_35_P-SW-Pt-Inc_5__293.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_35_P-SW-Pt-Inc_5__292.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"21_P-SW-TxCtrl-Inc_1",
"Factors":{"Type":"P - pellet","Medium":"SW - saltwater","Algal strain or abiotic control condition":"TxCtrl - treatment control","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_21_P-SW-TxCtrl-Inc_1__56.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_21_P-SW-TxCtrl-Inc_1__55.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"22_P-SW-TxCtrl-Inc_2",
"Factors":{"Type":"P - pellet","Medium":"SW - saltwater","Algal strain or abiotic control condition":"TxCtrl - treatment control","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_22_P-SW-TxCtrl-Inc_2__278.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_22_P-SW-TxCtrl-Inc_2__277.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"23_P-SW-TxCtrl-Inc_3",
"Factors":{"Type":"P - pellet","Medium":"SW - saltwater","Algal strain or abiotic control condition":"TxCtrl - treatment control","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_23_P-SW-TxCtrl-Inc_3__182.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_23_P-SW-TxCtrl-Inc_3__181.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"24_P-SW-TxCtrl-Inc_4",
"Factors":{"Type":"P - pellet","Medium":"SW - saltwater","Algal strain or abiotic control condition":"TxCtrl - treatment control","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_24_P-SW-TxCtrl-Inc_4__86.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_24_P-SW-TxCtrl-Inc_4__85.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"55_P-SW-TxCtrl-Inc_5",
"Factors":{"Type":"P - pellet","Medium":"SW - saltwater","Algal strain or abiotic control condition":"TxCtrl - treatment control","Incubation":"Inc - incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_55_P-SW-TxCtrl-Inc_5__158.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_55_P-SW-TxCtrl-Inc_5__157.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"11_P-SW-TxCtrl-noInc_1",
"Factors":{"Type":"P - pellet","Medium":"SW - saltwater","Algal strain or abiotic control condition":"TxCtrl - treatment control","Incubation":"noInc - not incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_11_P-SW-TxCtrl-noInc_1__209.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_11_P-SW-TxCtrl-noInc_1__208.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"12_P-SW-TxCtrl-noInc_2",
"Factors":{"Type":"P - pellet","Medium":"SW - saltwater","Algal strain or abiotic control condition":"TxCtrl - treatment control","Incubation":"noInc - not incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_12_P-SW-TxCtrl-noInc_2__161.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_12_P-SW-TxCtrl-noInc_2__160.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"13_P-SW-TxCtrl-noInc_3",
"Factors":{"Type":"P - pellet","Medium":"SW - saltwater","Algal strain or abiotic control condition":"TxCtrl - treatment control","Incubation":"noInc - not incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_13_P-SW-TxCtrl-noInc_3__62.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_13_P-SW-TxCtrl-noInc_3__61.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"14_P-SW-TxCtrl-noInc_4",
"Factors":{"Type":"P - pellet","Medium":"SW - saltwater","Algal strain or abiotic control condition":"TxCtrl - treatment control","Incubation":"noInc - not incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_14_P-SW-TxCtrl-noInc_4__68.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_14_P-SW-TxCtrl-noInc_4__67.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"15_P-SW-TxCtrl-noInc_5",
"Factors":{"Type":"P - pellet","Medium":"SW - saltwater","Algal strain or abiotic control condition":"TxCtrl - treatment control","Incubation":"noInc - not incubated"},
"Additional sample data":{"RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_15_P-SW-TxCtrl-noInc_5__242.mzML","RAW_FILE_NAME":"20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_15_P-SW-TxCtrl-noInc_5__241.mzML"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Axenic algal were grown in glass 125 mL Erlenmeyer flasks that had previously been baked in a muffle furnace at 550°C for two hours to remove trace organics that could contaminate metabolomics analyses. Each flask contained 50 mL of the appropriate medium (defined freshwater or saltwater medium) and was capped with a foam stopper and covered with aluminum foil to avoid contamination during the experiment. Flasks were incubated with shaking at 90 rpm in a light incubator, with a 12-hour day/night light cycle. Daytime illumination was 3500 lux, and the incubator temperature was maintained at 22°C. Algal inocula were prepared by first growing algal stock cultures under experimental conditions (flasks, media, incubation) for one week to acclimate cultures to those conditions. Experimental flasks were inoculated by transferring 2 mL of inoculum culture to flasks with the appropriate medium. Cultures were harvested for metabolomic analysis from five replicate flasks for each alga after 8 days of incubation. Spent medium and cell pellets were separated by centrifugation. Half of the culture was transferred to a 50 mL falcon tube and centrifuged at 5000 g for eight minutes at 4°C. The supernatant was carefully transferred to a clean Falcon tube, and the remainder of the culture was added to the tube containing the pellet and the centrifugation procedure was repeated. After separation by centrifugation, the supernatant was filtered through a 0.45µm pore size syringe filter to remove residual algal cells. Filtered spent medium and cell pellets were frozen on dry ice and stored at -80°C until extraction.","SAMPLE_TYPE":"Algae","STORAGE_CONDITIONS":"-80℃"},

"TREATMENT":{"TREATMENT_SUMMARY":"Treatments consisted of 4 different axenic algal strains growth separately for comparison: Chlamydomonas reinhardtii, Desmodesmus sp., Phaeodactylum tricornutum, and Microchloropsis salina. C. reinhartdii was grown in defined freshwater mediunm. Desmodesmus was grown separately in defined freshwater and saltwater medium. P. tricornutum and M. salina were grown separately in defined saltwater medium. Separate axenic controls were conducted for the defined freshwater and saltwater media. Metabolite extraction controls were also prepared using the same extraction protocol."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"In order to disrupt cells for metabolite extraction, cell pellets were resuspended in 1 mL sterile water, frozen at -80°C, and lyophilized. Lyophilized pellets were disrupted using a sterilized steel ball and vortexing three times for five seconds. Disrupted pellets were then resuspended in 50 mL sterile water and filtered and frozen in the same manner as spent medium. Thus, the spent medium and cell pellet samples corresponded to the same original sample volume. Samples for LC-MS/MS metabolomics analysis were extracted by solid phase extraction using Waters Sep-Pak C18 3 mL cartridges. Because chlorophyll and biomass content were similar across samples, samples were normalized to the same volume (30 mL). Cartridges were first preconditioned with 3 mL methanol, and the rinsed with 6 mL ultrapure water. Metabolites were extracted by passing 30 mL of sample through the cartridge. Columns with extracted metabolites were rinsed with 6 mL ultrapure water. Metabolites were eluted with 1 mL methanol into a 1.5 mL polypropylene tube and the dried in a vacuum centrifuge with a refrigerated vapor trap. Dried metabolite extracts resuspended in 150 µL methanol with matrix control internal standards, vortexed for 5 to 10 seconds, and sonicated in a water bath sonicator with ice for ten minutes. Samples were centrifuged at 10,000 g for five minutes at 4°C to pellet insoluble salts and proteins. Supernatant was transferred to a 0.2 µm pore size centrifuge filter device, and centrifuged at 5,000 g for five minutes at 4°C. Filtrate was transferred to an autosampler vial for LC-MS/MS analysis."},

"CHROMATOGRAPHY":{"INSTRUMENT_NAME":"Agilent 1290","COLUMN_NAME":"Agilent Sorbax Eclipse Plus C18 RRHD (50 x 2.1 mm, 1.8 um)","CHROMATOGRAPHY_TYPE":"Reversed phase"},

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

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive Orbitrap","INSTRUMENT_TYPE":"Single quadrupole","MS_TYPE":"ESI","MS_COMMENTS":"Feature detection conducted using MZmine 2","ION_MODE":"POSITIVE","MS_RESULTS_FILE":"ST001912_AN003110_Results.txt UNITS:peak height Has m/z:Yes Has RT:Yes RT units:Minutes"}

}