{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001356","ANALYSIS_ID":"AN002255","VERSION":"1","CREATED_ON":"April 10, 2020, 11:54 am"},

"PROJECT":{"PROJECT_TITLE":"Diel Metabolites in the North Pacific Subtropical Gyre","PROJECT_TYPE":"Marine Metabolomics","PROJECT_SUMMARY":"Diverse organisms within the marine microbial communities show 24-hour cycles of gene expression, likely driven by the need to harness energy from sunlight and to cope with dramatic fluctuations in solar radiation over the course of the day. Metabolites are the direct product of metabolic activity; they are therefore expected to both reflect and influence the daily cycle of the microbial community. Here we measure the intracellular metabolome of the microbial community of the North Pacific Subtropical Gyre, sampled at 4-hour intervals for 8 days. Concentrations of some metabolites common to many organisms exhibit diel periodicity, revealing synchrony of community-level metabolism. Comparing these data to gene expression data reveals temporal offsets between gene transcription and cellular activity, and ties some metabolites to the activities of specific organisms. For example, the dramatic fluctuations of the disaccharide trehalose likely reflect the daily cycles of Crocosphaera, a photosynthesizing cyanobacteria that needs to store energy during the day to fuel nighttime nitrogen-fixation. This study illustrates how pairing multiple types of 'omics and environmental data can provide insight into how the activities of individual organisms lead to community functions such as net primary productivity and nitrogen fixation.","INSTITUTE":"University of Washington","DEPARTMENT":"School of Oceanography","LABORATORY":"Ingalls Lab","LAST_NAME":"Boysen","FIRST_NAME":"Angela","ADDRESS":"1503 NE Boat Street, Box 357940, Seattle, WA, 98195, USA","EMAIL":"aboysen@uw.edu","PHONE":"3037461944","FUNDING_SOURCE":"Simons Foundation, NSF"},

"STUDY":{"STUDY_TITLE":"Diel Metabolites in the North Pacific Subtropical Gyre (KM1513)","STUDY_TYPE":"Diel metabolomics","STUDY_SUMMARY":"Diverse organisms within the marine microbial communities show 24-hour cycles of gene expression, likely driven by the need to harness energy from sunlight and to cope with dramatic fluctuations in solar radiation over the course of the day. Metabolites are the direct product of metabolic activity; they are therefore expected to both reflect and influence the daily cycle of the microbial community. Here we measure the intracellular metabolome of the microbial community of the North Pacific Subtropical Gyre, sampled at 4-hour intervals for 8 days. Concentrations of some metabolites common to many organisms exhibit diel periodicity, revealing synchrony of community-level metabolism. Comparing these data to gene expression data reveals temporal offsets between gene transcription and cellular activity, and ties some metabolites to the activities of specific organisms. For example, the dramatic fluctuations of the disaccharide trehalose likely reflect the daily cycles of {Crocosphaera}, a photosynthesizing cyanobacteria that needs to store energy during the day to fuel nighttime nitrogen-fixation. This study illustrates how pairing multiple types of 'omics and environmental data can provide insight into how the activities of individual organisms lead to community functions such as net primary productivity and nitrogen fixation.","INSTITUTE":"University of Washington","DEPARTMENT":"Oceanography","LABORATORY":"Ingalls Lab","LAST_NAME":"Boysen","FIRST_NAME":"Angela","ADDRESS":"1502 NE Boat St","EMAIL":"aboysen@uw.edu","PHONE":"3037461944"},

"SUBJECT":{"SUBJECT_TYPE":"Other","SUBJECT_SPECIES":"Natural Mixed Marine Microbial Community"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"1",
"Sample ID":"S1R1",
"Factors":{"Time":"600","Station and Cast":"S06C001"},
"Additional sample data":{"Replicate":"1","Date":"7/26/2019 0;00","Vol":"3.9","Depth (m)":"15","RAW_FILE_NAME":"160627_Smp_1R1.mzXML;160701_Smp_1R1.mzXML;160627_Smp_1R1.raw;160701_Smp_1R1.raw;160701_Smp_1R1_DCM.raw"}
},
{
"Subject ID":"1",
"Sample ID":"S1R2",
"Factors":{"Time":"600","Station and Cast":"S06C001"},
"Additional sample data":{"Replicate":"2","Date":"7/26/2019 0;00","Vol":"4.3","Depth (m)":"15","RAW_FILE_NAME":"160627_Smp_1R2.mzXML;160701_Smp_1R2.mzXML;160627_Smp_1R2.raw;160701_Smp_1R2.raw;160701_Smp_1R2_DCM.raw"}
},
{
"Subject ID":"1",
"Sample ID":"S1R3",
"Factors":{"Time":"600","Station and Cast":"S06C001"},
"Additional sample data":{"Replicate":"3","Date":"7/26/2019 0;00","Vol":"3.6","Depth (m)":"15","RAW_FILE_NAME":"160627_Smp_1R3.mzXML;160701_Smp_1R3.mzXML;160627_Smp_1R3.raw;160701_Smp_1R3.raw;160701_Smp_1R3_DCM.raw"}
},
{
"Subject ID":"2",
"Sample ID":"S2R1",
"Factors":{"Time":"1000","Station and Cast":"S07C001"},
"Additional sample data":{"Replicate":"1","Date":"7/26/2019 0;00","Vol":"3.1","Depth (m)":"15","RAW_FILE_NAME":"160627_Smp_2R2.mzXML;160701_Smp_2R2.mzXML;160627_Smp_2R1.raw;160701_Smp_2R1.raw;160701_Smp_2R1_DCM.raw"}
},
{
"Subject ID":"2",
"Sample ID":"S2R2",
"Factors":{"Time":"1000","Station and Cast":"S07C001"},
"Additional sample data":{"Replicate":"2","Date":"7/26/2019 0;00","Vol":"4.15","Depth (m)":"15","RAW_FILE_NAME":"160627_Smp_2R2_real.mzXML;160701_Smp_2R2_160701235129.mzXML;160627_Smp_2R2.raw;160701_Smp_2R2.raw;160701_Smp_2R2_DCM.raw"}
},
{
"Subject ID":"2",
"Sample ID":"S2R3",
"Factors":{"Time":"1000","Station and Cast":"S07C001"},
"Additional sample data":{"Replicate":"3","Date":"7/26/2019 0;00","Vol":"3","Depth (m)":"15","RAW_FILE_NAME":"160627_Smp_2R3.mzXML;160701_Smp_2R3.mzXML;160627_Smp_2R3.raw;160701_Smp_2R3.raw;160701_Smp_2R3_DCM.raw"}
},
{
"Subject ID":"3",
"Sample ID":"S3R1",
"Factors":{"Time":"1400","Station and Cast":"S08C001"},
"Additional sample data":{"Replicate":"1","Date":"7/26/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160627_Smp_3R1.mzXML;160701_Smp_3R1.mzXML;160627_Smp_3R1.raw;160701_Smp_3R1.raw;160701_Smp_3R1_DCM.raw"}
},
{
"Subject ID":"3",
"Sample ID":"S3R2",
"Factors":{"Time":"1400","Station and Cast":"S08C001"},
"Additional sample data":{"Replicate":"2","Date":"7/26/2019 0;00","Vol":"3.4","Depth (m)":"15","RAW_FILE_NAME":"160627_Smp_3R2.mzXML;160701_Smp_3R2.mzXML;160627_Smp_3R2.raw;160701_Smp_3R2.raw;160701_Smp_3R2_DCM.raw"}
},
{
"Subject ID":"3",
"Sample ID":"S3R3",
"Factors":{"Time":"1400","Station and Cast":"S08C001"},
"Additional sample data":{"Replicate":"3","Date":"7/26/2019 0;00","Vol":"3.4","Depth (m)":"15","RAW_FILE_NAME":"160627_Smp_3R3.mzXML;160701_Smp_3R3.mzXML;160627_Smp_3R3.raw;160701_Smp_3R3.raw;160701_Smp_3R3_DCM.raw"}
},
{
"Subject ID":"4",
"Sample ID":"S4R1",
"Factors":{"Time":"1800","Station and Cast":"S11C001"},
"Additional sample data":{"Replicate":"1","Date":"7/26/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160627_Smp_4R1.mzXML;160701_Smp_4R1.mzXML;160627_Smp_4R1.raw;160701_Smp_4R1.raw;160701_Smp_4R1_DCM.raw"}
},
{
"Subject ID":"4",
"Sample ID":"S4R2",
"Factors":{"Time":"1800","Station and Cast":"S11C001"},
"Additional sample data":{"Replicate":"2","Date":"7/26/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160627_Smp_4R2.mzXML;160701_Smp_4R2.mzXML;160627_Smp_4R2.raw;160701_Smp_4R2.raw;160701_Smp_4R2_DCM.raw"}
},
{
"Subject ID":"4",
"Sample ID":"S4R3",
"Factors":{"Time":"1800","Station and Cast":"S11C001"},
"Additional sample data":{"Replicate":"3","Date":"7/26/2019 0;00","Vol":"3.4","Depth (m)":"15","RAW_FILE_NAME":"160627_Smp_4R3.mzXML;160701_Smp_4R3.mzXML;160627_Smp_4R3.raw;160701_Smp_4R3.raw;160701_Smp_4R3_DCM.raw"}
},
{
"Subject ID":"5",
"Sample ID":"S5R1",
"Factors":{"Time":"2200","Station and Cast":"S14C001"},
"Additional sample data":{"Replicate":"1","Date":"7/26/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160627_Smp_5R1.mzXML;160701_Smp_5R1.mzXML;160627_Smp_5R1.raw;160701_Smp_5R1.raw;160701_Smp_5R1_DCM.raw"}
},
{
"Subject ID":"5",
"Sample ID":"S5R2",
"Factors":{"Time":"2200","Station and Cast":"S14C001"},
"Additional sample data":{"Replicate":"2","Date":"7/26/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160627_Smp_5R2.mzXML;160701_Smp_5R2.mzXML;160627_Smp_5R2.raw;160701_Smp_5R2.raw;160701_Smp_5R2_DCM.raw"}
},
{
"Subject ID":"5",
"Sample ID":"S5R3",
"Factors":{"Time":"2200","Station and Cast":"S14C001"},
"Additional sample data":{"Replicate":"3","Date":"7/26/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160627_Smp_5R3.mzXML;160701_Smp_5R3.mzXML;160627_Smp_5R3.raw;160701_Smp_5R3.raw;160701_Smp_5R3_DCM.raw"}
},
{
"Subject ID":"6",
"Sample ID":"S6R1",
"Factors":{"Time":"200","Station and Cast":"S15C001"},
"Additional sample data":{"Replicate":"1","Date":"7/27/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160627_Smp_6R1.mzXML;160701_Smp_6R1.mzXML;160627_Smp_6R1.raw;160701_Smp_6R1.raw;160701_Smp_6R1_DCM.raw"}
},
{
"Subject ID":"6",
"Sample ID":"S6R2",
"Factors":{"Time":"200","Station and Cast":"S15C001"},
"Additional sample data":{"Replicate":"2","Date":"7/27/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160627_Smp_6R2.mzXML;160701_Smp_6R2.mzXML;160627_Smp_6R2.raw;160701_Smp_6R2.raw;160701_Smp_6R2_DCM.raw"}
},
{
"Subject ID":"6",
"Sample ID":"S6R3",
"Factors":{"Time":"200","Station and Cast":"S15C001"},
"Additional sample data":{"Replicate":"3","Date":"7/27/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160627_Smp_6R3.mzXML;160701_Smp_6R3.mzXML;160627_Smp_6R3.raw;160701_Smp_6R3.raw;160701_Smp_6R3_DCM.raw"}
},
{
"Subject ID":"7",
"Sample ID":"S7R1",
"Factors":{"Time":"600","Station and Cast":"S16C001"},
"Additional sample data":{"Replicate":"1","Date":"7/27/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160627_Smp_7R1.mzXML;160701_Smp_7R1.mzXML;160627_Smp_7R1.raw;160701_Smp_7R1.raw;160701_Smp_7R1_DCM.raw"}
},
{
"Subject ID":"7",
"Sample ID":"S7R2",
"Factors":{"Time":"600","Station and Cast":"S16C001"},
"Additional sample data":{"Replicate":"2","Date":"7/27/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160627_Smp_7R2.mzXML;160701_Smp_7R2.mzXML;160627_Smp_7R2.raw;160701_Smp_7R2.raw;160701_Smp_7R2_DCM.raw"}
},
{
"Subject ID":"7",
"Sample ID":"S7R3",
"Factors":{"Time":"600","Station and Cast":"S16C001"},
"Additional sample data":{"Replicate":"3","Date":"7/27/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160627_Smp_7R3.mzXML;160701_Smp_7R3.mzXML;160627_Smp_7R3.raw;160701_Smp_7R3.raw;160701_Smp_7R3_DCM.raw"}
},
{
"Subject ID":"8",
"Sample ID":"S8R1",
"Factors":{"Time":"1000","Station and Cast":"S17C001"},
"Additional sample data":{"Replicate":"1","Date":"7/27/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160627_Smp_8R1.mzXML;160701_Smp_8R1.mzXML;160627_Smp_8R1.raw;160701_Smp_8R1.raw;160701_Smp_8R1_DCM.raw"}
},
{
"Subject ID":"8",
"Sample ID":"S8R2",
"Factors":{"Time":"1000","Station and Cast":"S17C001"},
"Additional sample data":{"Replicate":"2","Date":"7/27/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160627_Smp_8R2.mzXML;160701_Smp_8R2.mzXML;160627_Smp_8R2.raw;160701_Smp_8R2.raw;160701_Smp_8R2_DCM.raw"}
},
{
"Subject ID":"8",
"Sample ID":"S8R3",
"Factors":{"Time":"1000","Station and Cast":"S17C001"},
"Additional sample data":{"Replicate":"3","Date":"7/27/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160627_Smp_8R3.mzXML;160701_Smp_8R3.mzXML;160627_Smp_8R3.raw;160701_Smp_8R3.raw;160701_Smp_8R3_DCM.raw"}
},
{
"Subject ID":"9",
"Sample ID":"S9R1",
"Factors":{"Time":"1400","Station and Cast":"S18C001"},
"Additional sample data":{"Replicate":"1","Date":"7/27/2019 0;00","Vol":"2.8","Depth (m)":"15","RAW_FILE_NAME":"160627_Smp_9R1.mzXML;160701_Smp_9R1.mzXML;160627_Smp_9R1.raw;160701_Smp_9R1.raw;160701_Smp_9R1_DCM.raw"}
},
{
"Subject ID":"9",
"Sample ID":"S9R2",
"Factors":{"Time":"1400","Station and Cast":"S18C001"},
"Additional sample data":{"Replicate":"2","Date":"7/27/2019 0;00","Vol":"2.6","Depth (m)":"15","RAW_FILE_NAME":"160627_Smp_9R2.mzXML;160701_Smp_9R2.mzXML;160627_Smp_9R2.raw;160701_Smp_9R2.raw;160701_Smp_9R2_DCM.raw"}
},
{
"Subject ID":"9",
"Sample ID":"S9R3",
"Factors":{"Time":"1400","Station and Cast":"S18C001"},
"Additional sample data":{"Replicate":"3","Date":"7/27/2019 0;00","Vol":"2","Depth (m)":"15","RAW_FILE_NAME":"160627_Smp_9R3.mzXML;160701_Smp_9R3.mzXML;160627_Smp_9R3.raw;160701_Smp_9R3.raw;160701_Smp_9R3_DCM.raw"}
},
{
"Subject ID":"10",
"Sample ID":"S10R1",
"Factors":{"Time":"1800","Station and Cast":"S19C001"},
"Additional sample data":{"Replicate":"1","Date":"7/27/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160627_Smp_10R1.mzXML;160701_Smp_10R1.mzXML;160627_Smp_10R1.raw;160701_Smp_10R1.raw;160701_Smp_10R1_DCM.raw"}
},
{
"Subject ID":"10",
"Sample ID":"S10R2",
"Factors":{"Time":"1800","Station and Cast":"S19C001"},
"Additional sample data":{"Replicate":"2","Date":"7/27/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160627_Smp_10R2.mzXML;160701_Smp_10R2.mzXML;160627_Smp_10R2.raw;160701_Smp_10R2.raw;160701_Smp_10R2_DCM.raw"}
},
{
"Subject ID":"10",
"Sample ID":"S10R3",
"Factors":{"Time":"1800","Station and Cast":"S19C001"},
"Additional sample data":{"Replicate":"3","Date":"7/27/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160627_Smp_10R3.mzXML;160701_Smp_10R3.mzXML;160627_Smp_10R3.raw;160701_Smp_10R3.raw;160701_Smp_10R3_DCM.raw"}
},
{
"Subject ID":"11",
"Sample ID":"S11R1",
"Factors":{"Time":"2200","Station and Cast":"S20C001"},
"Additional sample data":{"Replicate":"1","Date":"7/27/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160705_Smp_11R1.mzXML;160708_Smp_11R1_re-run.mzXML;160705_Smp_11R1.raw;160708_Smp_11R1.raw;160708_Smp_11R1_DCM.raw"}
},
{
"Subject ID":"11",
"Sample ID":"S11R2",
"Factors":{"Time":"2200","Station and Cast":"S20C001"},
"Additional sample data":{"Replicate":"2","Date":"7/27/2019 0;00","Vol":"2.85","Depth (m)":"15","RAW_FILE_NAME":"160712_Smp_11R2.mzXML;160714_Smp_11R2.mzXML;160711_Smp_11R2.raw;160714_Smp_11R2.raw;160714_Smp_11R2_DCM.raw"}
},
{
"Subject ID":"11",
"Sample ID":"S11R3",
"Factors":{"Time":"2200","Station and Cast":"S20C001"},
"Additional sample data":{"Replicate":"3","Date":"7/27/2019 0;00","Vol":"3.1","Depth (m)":"15","RAW_FILE_NAME":"160712_Smp_11R3.mzXML;160714_Smp_11R3.mzXML;160711_Smp_11R3.raw;160714_Smp_11R3.raw;160714_Smp_11R3_DCM.raw"}
},
{
"Subject ID":"12",
"Sample ID":"S12R1",
"Factors":{"Time":"200","Station and Cast":"S21C001"},
"Additional sample data":{"Replicate":"1","Date":"7/28/2019 0;00","Vol":"3.1","Depth (m)":"15","RAW_FILE_NAME":"160705_Smp_12R1.mzXML;160708_Smp_12R1_re-run.mzXML;160705_Smp_12R1.raw;160708_Smp_12R1.raw;160708_Smp_12R1_DCM.raw"}
},
{
"Subject ID":"12",
"Sample ID":"S12R2",
"Factors":{"Time":"200","Station and Cast":"S21C001"},
"Additional sample data":{"Replicate":"2","Date":"7/28/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160705_Smp_12R2.mzXML;160708_Smp_12R2_re-run.mzXML;160705_Smp_12R2.raw;160708_Smp_12R2.raw;160708_Smp_12R2_DCM.raw"}
},
{
"Subject ID":"12",
"Sample ID":"S12R3",
"Factors":{"Time":"200","Station and Cast":"S21C001"},
"Additional sample data":{"Replicate":"3","Date":"7/28/2019 0;00","Vol":"3","Depth (m)":"15","RAW_FILE_NAME":"160712_Smp_12R3.mzXML;160714_Smp_12R3.mzXML;160711_Smp_12R3.raw;160714_Smp_12R3.raw;160714_Smp_12R3_DCM.raw"}
},
{
"Subject ID":"13",
"Sample ID":"S13R1",
"Factors":{"Time":"600","Station and Cast":"S22C001"},
"Additional sample data":{"Replicate":"1","Date":"7/28/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160705_Smp_13R1.mzXML;160708_Smp_13R1_re-run.mzXML;160705_Smp_13R1.raw;160708_Smp_13R1.raw;160708_Smp_13R1_DCM.raw"}
},
{
"Subject ID":"13",
"Sample ID":"S13R2",
"Factors":{"Time":"600","Station and Cast":"S22C001"},
"Additional sample data":{"Replicate":"2","Date":"7/28/2019 0;00","Vol":"3.1","Depth (m)":"15","RAW_FILE_NAME":"160705_Smp_13R2.mzXML;160708_Smp_13R2_re-run.mzXML;160705_Smp_13R2.raw;160708_Smp_13R2.raw;160708_Smp_13R2_DCM.raw"}
},
{
"Subject ID":"13",
"Sample ID":"S13R3",
"Factors":{"Time":"600","Station and Cast":"S22C001"},
"Additional sample data":{"Replicate":"3","Date":"7/28/2019 0;00","Vol":"3.1","Depth (m)":"15","RAW_FILE_NAME":"160705_Smp_13R3.mzXML;160708_Smp_13R3_re-run.mzXML;160705_Smp_13R3.raw;160708_Smp_13R3.raw;160708_Smp_13R3_DCM.raw"}
},
{
"Subject ID":"14",
"Sample ID":"S14R1",
"Factors":{"Time":"1000","Station and Cast":"S23C001"},
"Additional sample data":{"Replicate":"1","Date":"7/28/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160705_Smp_14R1.mzXML;160708_Smp_14R1_re-run.mzXML;160705_Smp_14R1.raw;160708_Smp_14R1.raw;160708_Smp_14R1_DCM.raw"}
},
{
"Subject ID":"14",
"Sample ID":"S14R2",
"Factors":{"Time":"1000","Station and Cast":"S23C001"},
"Additional sample data":{"Replicate":"2","Date":"7/28/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160705_Smp_14R2.mzXML;160708_Smp_14R2_re-run.mzXML;160705_Smp_14R2.raw;160708_Smp_14R2.raw;160708_Smp_14R2_DCM.raw"}
},
{
"Subject ID":"14",
"Sample ID":"S14R3",
"Factors":{"Time":"1000","Station and Cast":"S23C001"},
"Additional sample data":{"Replicate":"3","Date":"7/28/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160712_Smp_14R3.mzXML;160714_Smp_14R3.mzXML;160711_Smp_14R3.raw;160714_Smp_14R3.raw;160714_Smp_14R3_DCM.raw"}
},
{
"Subject ID":"15",
"Sample ID":"S15R1",
"Factors":{"Time":"1400","Station and Cast":"S24C001"},
"Additional sample data":{"Replicate":"1","Date":"7/28/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160705_Smp_15R1.mzXML;160708_Smp_15R1_re-run.mzXML;160705_Smp_15R1.raw;160708_Smp_15R1.raw;160708_Smp_15R1_DCM.raw"}
},
{
"Subject ID":"15",
"Sample ID":"S15R2",
"Factors":{"Time":"1400","Station and Cast":"S24C001"},
"Additional sample data":{"Replicate":"2","Date":"7/28/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160705_Smp_15R2.mzXML;160708_Smp_15R2_re-run.mzXML;160705_Smp_15R2.raw;160708_Smp_15R2.raw;160708_Smp_15R2_DCM.raw"}
},
{
"Subject ID":"15",
"Sample ID":"S15R3",
"Factors":{"Time":"1400","Station and Cast":"S24C001"},
"Additional sample data":{"Replicate":"3","Date":"7/28/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160705_Smp_15R3.mzXML;160708_Smp_15R3_re_run.mzXML;160705_Smp_15R3.raw;160708_Smp_15R3.raw;160708_Smp_15R3_DCM.raw"}
},
{
"Subject ID":"16",
"Sample ID":"S16R1",
"Factors":{"Time":"1800","Station and Cast":"S26C001"},
"Additional sample data":{"Replicate":"1","Date":"7/28/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160705_Smp_16R2.mzXML;160708_Smp_16R1.mzXML;160705_Smp_16R2.raw;160708_Smp_16R2.raw;160708_Smp_16R2_DCM.raw"}
},
{
"Subject ID":"16",
"Sample ID":"S16R2",
"Factors":{"Time":"1800","Station and Cast":"S26C001"},
"Additional sample data":{"Replicate":"2","Date":"7/28/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160712_Smp_16R2.mzXML;160714_Smp_16R2.mzXML;160711_Smp_16R2.raw;160714_Smp_16R2.raw;160714_Smp_16R2_DCM.raw"}
},
{
"Subject ID":"16",
"Sample ID":"S16R3",
"Factors":{"Time":"1800","Station and Cast":"S26C001"},
"Additional sample data":{"Replicate":"3","Date":"7/28/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160705_Smp_16R3.mzXML;160708_Smp_16R3_re-run.mzXML;160705_Smp_16R3.raw;160708_Smp_16R3.raw;160708_Smp_16R3_DCM.raw"}
},
{
"Subject ID":"17",
"Sample ID":"S17R1",
"Factors":{"Time":"2200","Station and Cast":"S28C001"},
"Additional sample data":{"Replicate":"1","Date":"7/28/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160705_Smp_17R1.mzXML;160708_Smp_17R1_re-run.mzXML;160705_Smp_17R1.raw;160708_Smp_17R1.raw;160708_Smp_17R1_DCM.raw"}
},
{
"Subject ID":"17",
"Sample ID":"S17R2",
"Factors":{"Time":"2200","Station and Cast":"S28C001"},
"Additional sample data":{"Replicate":"2","Date":"7/28/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160705_Smp_17R2.mzXML;160708_Smp_17R2_re-run.mzXML;160705_Smp_17R2.raw;160708_Smp_17R2.raw;160708_Smp_17R2_DCM.raw"}
},
{
"Subject ID":"17",
"Sample ID":"S17R3",
"Factors":{"Time":"2200","Station and Cast":"S28C001"},
"Additional sample data":{"Replicate":"3","Date":"7/28/2019 0;00","Vol":"3.2","Depth (m)":"15","RAW_FILE_NAME":"160705_Smp_17R3.mzXML;160708_Smp_17R3_re-run.mzXML;160705_Smp_17R3.raw;160708_Smp_17R3.raw;160708_Smp_17R3_DCM.raw"}
},
{
"Subject ID":"18",
"Sample ID":"S18R1",
"Factors":{"Time":"200","Station and Cast":"S29C001"},
"Additional sample data":{"Replicate":"1","Date":"7/29/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160705_Smp_18R1.mzXML;160708_Smp_18R1_re-run.mzXML;160705_Smp_18R1.raw;160708_Smp_18R1.raw;160708_Smp_18R1_DCM.raw"}
},
{
"Subject ID":"18",
"Sample ID":"S18R2",
"Factors":{"Time":"200","Station and Cast":"S29C001"},
"Additional sample data":{"Replicate":"2","Date":"7/29/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160712_Smp_18R2.mzXML;160714_Smp_18R2.mzXML;160711_Smp_18R2.raw;160714_Smp_18R2.raw;160714_Smp_18R2_DCM.raw"}
},
{
"Subject ID":"18",
"Sample ID":"S18R3",
"Factors":{"Time":"200","Station and Cast":"S29C001"},
"Additional sample data":{"Replicate":"3","Date":"7/29/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160712_Smp_18R3.mzXML;160714_Smp_18R3.mzXML;160711_Smp_18R3.raw;160714_Smp_18R3.raw;160714_Smp_18R3_DCM.raw"}
},
{
"Subject ID":"19",
"Sample ID":"S19R1",
"Factors":{"Time":"600","Station and Cast":"S30C001"},
"Additional sample data":{"Replicate":"1","Date":"7/29/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160705_Smp_19R1.mzXML;160708_Smp_19R1_re-run.mzXML;160705_Smp_19R1.raw;160708_Smp_19R1.raw;160708_Smp_19R1_DCM.raw"}
},
{
"Subject ID":"19",
"Sample ID":"S19R2",
"Factors":{"Time":"600","Station and Cast":"S30C001"},
"Additional sample data":{"Replicate":"2","Date":"7/29/2019 0;00","Vol":"3.1","Depth (m)":"15","RAW_FILE_NAME":"160705_Smp_19R2.mzXML;160708_Smp_19R2_re-run.mzXML;160705_Smp_19R2.raw;160708_Smp_19R2.raw;160708_Smp_19R2_DCM.raw"}
},
{
"Subject ID":"19",
"Sample ID":"S19R3",
"Factors":{"Time":"600","Station and Cast":"S30C001"},
"Additional sample data":{"Replicate":"3","Date":"7/29/2019 0;00","Vol":"3.1","Depth (m)":"15","RAW_FILE_NAME":"160705_Smp_19R3.mzXML;160708_Smp_19R3_re-run.mzXML;160705_Smp_19R3.raw;160708_Smp_19R3.raw;160708_Smp_19R3_DCM.raw"}
},
{
"Subject ID":"20",
"Sample ID":"S20R1",
"Factors":{"Time":"1000","Station and Cast":"S31C001"},
"Additional sample data":{"Replicate":"1","Date":"7/29/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160705_Smp_20R1.mzXML;160708_Smp_20R1_re-run.mzXML;160705_Smp_20R1.raw;160708_Smp_20R1.raw;160708_Smp_20R1_DCM.raw"}
},
{
"Subject ID":"20",
"Sample ID":"S20R2",
"Factors":{"Time":"1000","Station and Cast":"S31C001"},
"Additional sample data":{"Replicate":"2","Date":"7/29/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160705_Smp_20R2.mzXML;160708_Smp_20R2_re-run.mzXML;160705_Smp_20R2.raw;160708_Smp_20R2.raw;160708_Smp_20R2_DCM.raw"}
},
{
"Subject ID":"20",
"Sample ID":"S20R3",
"Factors":{"Time":"1000","Station and Cast":"S31C001"},
"Additional sample data":{"Replicate":"3","Date":"7/29/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160705_Smp_20R3.mzXML;160708_Smp_20R3_re-run.mzXML;160705_Smp_20R3.raw;160708_Smp_20R3.raw;160708_Smp_20R3_DCM.raw"}
},
{
"Subject ID":"21",
"Sample ID":"S21R1",
"Factors":{"Time":"1400","Station and Cast":"S32C001"},
"Additional sample data":{"Replicate":"1","Date":"7/29/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160712_Smp_21R1.mzXML;160714_Smp_21R1.mzXML;160711_Smp_21R1.raw;160714_Smp_21R1.raw;160714_Smp_21R1_DCM.raw"}
},
{
"Subject ID":"21",
"Sample ID":"S21R2",
"Factors":{"Time":"1400","Station and Cast":"S32C001"},
"Additional sample data":{"Replicate":"2","Date":"7/29/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160712_Smp_21R2.mzXML;160714_Smp_21R2.mzXML;160711_Smp_21R2.raw;160714_Smp_21R2.raw;160714_Smp_21R2_DCM.raw"}
},
{
"Subject ID":"21",
"Sample ID":"S21R3",
"Factors":{"Time":"1400","Station and Cast":"S32C001"},
"Additional sample data":{"Replicate":"3","Date":"7/29/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160712_Smp_21R3.mzXML;160714_Smp_21R3.mzXML;160711_Smp_21R3.raw;160714_Smp_21R3.raw;160714_Smp_21R3_DCM.raw"}
},
{
"Subject ID":"22",
"Sample ID":"S22R1",
"Factors":{"Time":"1800","Station and Cast":"S33C001"},
"Additional sample data":{"Replicate":"1","Date":"7/29/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160712_Smp_22R1.mzXML;160714_Smp_22R1.mzXML;160711_Smp_22R1.raw;160714_Smp_22R1.raw;160714_Smp_22R1_DCM.raw"}
},
{
"Subject ID":"22",
"Sample ID":"S22R2",
"Factors":{"Time":"1800","Station and Cast":"S33C001"},
"Additional sample data":{"Replicate":"2","Date":"7/29/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160712_Smp_22R2.mzXML;160714_Smp_22R2.mzXML;160711_Smp_22R2.raw;160714_Smp_22R2.raw;160714_Smp_22R2_DCM.raw"}
},
{
"Subject ID":"22",
"Sample ID":"S22R3",
"Factors":{"Time":"1800","Station and Cast":"S33C001"},
"Additional sample data":{"Replicate":"3","Date":"7/29/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160712_Smp_22R3.mzXML;160714_Smp_22R3.mzXML;160711_Smp_22R3.raw;160714_Smp_22R3.raw;160714_Smp_22R3_DCM.raw"}
},
{
"Subject ID":"23",
"Sample ID":"S23R1",
"Factors":{"Time":"2200","Station and Cast":"S34C001"},
"Additional sample data":{"Replicate":"1","Date":"7/29/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160712_Smp_23R1.mzXML;160714_Smp_23R1.mzXML;160711_Smp_23R1.raw;160714_Smp_23R1.raw;160714_Smp_23R1_DCM.raw"}
},
{
"Subject ID":"23",
"Sample ID":"S23R2",
"Factors":{"Time":"2200","Station and Cast":"S34C001"},
"Additional sample data":{"Replicate":"2","Date":"7/29/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160712_Smp_23R2.mzXML;160714_Smp_23R2.mzXML;160711_Smp_23R2.raw;160714_Smp_23R2.raw;160714_Smp_23R2_DCM.raw"}
},
{
"Subject ID":"23",
"Sample ID":"S23R3",
"Factors":{"Time":"2200","Station and Cast":"S34C001"},
"Additional sample data":{"Replicate":"3","Date":"7/29/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160712_Smp_23R3.mzXML;160714_Smp_23R3.mzXML;160711_Smp_23R3.raw;160714_Smp_23R3.raw;160714_Smp_23R3_DCM.raw"}
},
{
"Subject ID":"24",
"Sample ID":"S24R1",
"Factors":{"Time":"200","Station and Cast":"S35C001"},
"Additional sample data":{"Replicate":"1","Date":"7/30/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160712_Smp_24R1.mzXML;160714_Smp_24R1.mzXML;160711_Smp_24R1.raw;160714_Smp_24R1.raw;160714_Smp_24R1_DCM.raw"}
},
{
"Subject ID":"24",
"Sample ID":"S24R2",
"Factors":{"Time":"200","Station and Cast":"S35C001"},
"Additional sample data":{"Replicate":"2","Date":"7/30/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160712_Smp_24R2.mzXML;160714_Smp_24R2.mzXML;160711_Smp_24R2.raw;160714_Smp_24R2.raw;160714_Smp_24R2_DCM.raw"}
},
{
"Subject ID":"24",
"Sample ID":"S24R3",
"Factors":{"Time":"200","Station and Cast":"S35C001"},
"Additional sample data":{"Replicate":"3","Date":"7/30/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160712_Smp_24R3.mzXML;160714_Smp_24R3.mzXML;160711_Smp_24R3.raw;160714_Smp_24R3.raw;160714_Smp_24R3_DCM.raw"}
},
{
"Subject ID":"25",
"Sample ID":"S25R1",
"Factors":{"Time":"600","Station and Cast":"S37C001"},
"Additional sample data":{"Replicate":"1","Date":"7/30/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160725_Smp_25R1.mzXML;160728_Smp_25R1.mzXML;160725_Smp_25R1.raw;160728_Smp_25R1.raw;160728_Smp_25R1_DCM.raw"}
},
{
"Subject ID":"25",
"Sample ID":"S25R2",
"Factors":{"Time":"600","Station and Cast":"S37C001"},
"Additional sample data":{"Replicate":"2","Date":"7/30/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160725_Smp_25R2.mzXML;160728_Smp_25R2_160729103829.mzXML;160725_Smp_25R2.raw;160728_Smp_25R2.raw;160728_Smp_25R2_DCM.raw"}
},
{
"Subject ID":"25",
"Sample ID":"S25R3",
"Factors":{"Time":"600","Station and Cast":"S37C001"},
"Additional sample data":{"Replicate":"3","Date":"7/30/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160725_Smp_25R3.mzXML;160728_Smp_25R3.mzXML;160725_Smp_25R3.raw;160728_Smp_25R3.raw;160728_Smp_25R3_DCM.raw"}
},
{
"Subject ID":"26",
"Sample ID":"S26R1",
"Factors":{"Time":"1800","Station and Cast":"S47C001"},
"Additional sample data":{"Replicate":"1","Date":"7/31/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160718_Smp_26R1.mzXML;160721_Smp_26R1.mzXML;160718_Smp_26R1.raw;160721_Smp_26R1.raw;160721_Smp_26R1_DCM.raw"}
},
{
"Subject ID":"26",
"Sample ID":"S26R2",
"Factors":{"Time":"1800","Station and Cast":"S47C001"},
"Additional sample data":{"Replicate":"2","Date":"7/31/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160718_Smp_26R2.mzXML;160721_Smp_26R2.mzXML;160718_Smp_26R2.raw;160721_Smp_26R2.raw;160721_Smp_26R2_DCM.raw"}
},
{
"Subject ID":"26",
"Sample ID":"S26R3",
"Factors":{"Time":"1800","Station and Cast":"S47C001"},
"Additional sample data":{"Replicate":"3","Date":"7/31/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160718_Smp_26R3.mzXML;160721_Smp_26R3.mzXML;160718_Smp_26R3.raw;160721_Smp_26R3.raw;160721_Smp_26R3_DCM.raw"}
},
{
"Subject ID":"27",
"Sample ID":"S27R1",
"Factors":{"Time":"2200","Station and Cast":"S49C001"},
"Additional sample data":{"Replicate":"1","Date":"7/31/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160718_Smp_27R1.mzXML;160721_Smp_27R1.mzXML;160718_Smp_27R1.raw;160721_Smp_27R1.raw;160721_Smp_27R1_DCM.raw"}
},
{
"Subject ID":"27",
"Sample ID":"S27R2",
"Factors":{"Time":"2200","Station and Cast":"S49C001"},
"Additional sample data":{"Replicate":"2","Date":"7/31/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160718_Smp_27R2.mzXML;160721_Smp_27R2.mzXML;160718_Smp_27R2.raw;160721_Smp_27R2.raw;160721_Smp_27R2_DCM.raw"}
},
{
"Subject ID":"27",
"Sample ID":"S27R3",
"Factors":{"Time":"2200","Station and Cast":"S49C001"},
"Additional sample data":{"Replicate":"3","Date":"7/31/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160718_Smp_27R3.mzXML;160721_Smp_27R3.mzXML;160718_Smp_27R3.raw;160721_Smp_27R3.raw;160721_Smp_27R3_DCM.raw"}
},
{
"Subject ID":"28",
"Sample ID":"S28R1",
"Factors":{"Time":"200","Station and Cast":"S51C001"},
"Additional sample data":{"Replicate":"1","Date":"8/1/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160718_Smp_28R1.mzXML;160721_Smp_28R1.mzXML;160718_Smp_28R1.raw;160721_Smp_28R1.raw;160721_Smp_28R1_DCM.raw"}
},
{
"Subject ID":"28",
"Sample ID":"S28R2",
"Factors":{"Time":"200","Station and Cast":"S51C001"},
"Additional sample data":{"Replicate":"2","Date":"8/1/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160718_Smp_28R2.mzXML;160721_Smp_28R2.mzXML;160718_Smp_28R2.raw;160721_Smp_28R2.raw;160721_Smp_28R2_DCM.raw"}
},
{
"Subject ID":"28",
"Sample ID":"S28R3",
"Factors":{"Time":"200","Station and Cast":"S51C001"},
"Additional sample data":{"Replicate":"3","Date":"8/1/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160718_Smp_28R3.mzXML;160721_Smp_28R3.mzXML;160718_Smp_28R3.raw;160721_Smp_28R3.raw;160721_Smp_28R3_DCM.raw"}
},
{
"Subject ID":"29",
"Sample ID":"S29R1",
"Factors":{"Time":"600","Station and Cast":"S52C001"},
"Additional sample data":{"Replicate":"1","Date":"8/1/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160718_Smp_29R1.mzXML;160721_Smp_29R1.mzXML;160718_Smp_29R1.raw;160721_Smp_29R1.raw;160721_Smp_29R1_DCM.raw"}
},
{
"Subject ID":"29",
"Sample ID":"S29R2",
"Factors":{"Time":"600","Station and Cast":"S52C001"},
"Additional sample data":{"Replicate":"2","Date":"8/1/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160718_Smp_29R2.mzXML;160721_Smp_29R2.mzXML;160718_Smp_29R2.raw;160721_Smp_29R2.raw;160721_Smp_29R2_DCM.raw"}
},
{
"Subject ID":"29",
"Sample ID":"S29R3",
"Factors":{"Time":"600","Station and Cast":"S52C001"},
"Additional sample data":{"Replicate":"3","Date":"8/1/2019 0;00","Vol":"2.9","Depth (m)":"15","RAW_FILE_NAME":"160718_Smp_29R3.mzXML;160721_Smp_29R3.mzXML;160718_Smp_29R3.raw;160721_Smp_29R3.raw;160721_Smp_29R3_DCM.raw"}
},
{
"Subject ID":"30",
"Sample ID":"S30R1",
"Factors":{"Time":"1000","Station and Cast":"S53C001"},
"Additional sample data":{"Replicate":"1","Date":"8/1/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160718_Smp_30R1.mzXML;160721_Smp_30R1.mzXML;160718_Smp_30R1.raw;160721_Smp_30R1.raw;160721_Smp_30R1_DCM.raw"}
},
{
"Subject ID":"30",
"Sample ID":"S30R2",
"Factors":{"Time":"1000","Station and Cast":"S53C001"},
"Additional sample data":{"Replicate":"2","Date":"8/1/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160718_Smp_30R2.mzXML;160721_Smp_30R2.mzXML;160718_Smp_30R2.raw;160721_Smp_30R2.raw;160721_Smp_30R2_DCM.raw"}
},
{
"Subject ID":"30",
"Sample ID":"S30R3",
"Factors":{"Time":"1000","Station and Cast":"S53C001"},
"Additional sample data":{"Replicate":"3","Date":"8/1/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160718_Smp_30R3.mzXML;160721_Smp_30R3.mzXML;160718_Smp_30R3.raw;160721_Smp_30R3.raw;160721_Smp_30R3_DCM.raw"}
},
{
"Subject ID":"31",
"Sample ID":"S31R1",
"Factors":{"Time":"1400","Station and Cast":"S54C001"},
"Additional sample data":{"Replicate":"1","Date":"8/1/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160718_Smp_31R1.mzXML;160721_Smp_31R1.mzXML;160718_Smp_31R1.raw;160721_Smp_31R1.raw;160721_Smp_31R1_DCM.raw"}
},
{
"Subject ID":"31",
"Sample ID":"S31R3",
"Factors":{"Time":"1400","Station and Cast":"S54C001"},
"Additional sample data":{"Replicate":"3","Date":"8/1/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160718_Smp_31R3.mzXML;160721_Smp_31R3.mzXML;160718_Smp_31R3.raw;160721_Smp_31R3.raw;160721_Smp_31R3_DCM.raw"}
},
{
"Subject ID":"32",
"Sample ID":"S32R1",
"Factors":{"Time":"1800","Station and Cast":"S55C001"},
"Additional sample data":{"Replicate":"1","Date":"8/1/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160718_Smp_32R1.mzXML;160721_Smp_32R1.mzXML;160718_Smp_32R1.raw;160721_Smp_32R1.raw;160721_Smp_32R1_DCM.raw"}
},
{
"Subject ID":"32",
"Sample ID":"S32R2",
"Factors":{"Time":"1800","Station and Cast":"S55C001"},
"Additional sample data":{"Replicate":"2","Date":"8/1/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160718_Smp_32R2.mzXML;160721_Smp_32R2.mzXML;160718_Smp_32R2.raw;160721_Smp_32R2.raw;160721_Smp_32R2_DCM.raw"}
},
{
"Subject ID":"32",
"Sample ID":"S32R3",
"Factors":{"Time":"1800","Station and Cast":"S55C001"},
"Additional sample data":{"Replicate":"3","Date":"8/1/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160718_Smp_32R3.mzXML;160721_Smp_32R3.mzXML;160718_Smp_32R3.raw;160721_Smp_32R3.raw;160721_Smp_32R3_DCM.raw"}
},
{
"Subject ID":"33",
"Sample ID":"S33R1",
"Factors":{"Time":"2200","Station and Cast":"S56C001"},
"Additional sample data":{"Replicate":"1","Date":"8/1/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160718_Smp_33R1.mzXML;160721_Smp_33R1.mzXML;160718_Smp_33R1.raw;160721_Smp_33R1.raw;160721_Smp_33R1_DCM.raw"}
},
{
"Subject ID":"33",
"Sample ID":"S33R2",
"Factors":{"Time":"2200","Station and Cast":"S56C001"},
"Additional sample data":{"Replicate":"2","Date":"8/1/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160718_Smp_33R2.mzXML;160721_Smp_33R2.mzXML;160718_Smp_33R2.raw;160721_Smp_33R2.raw;160721_Smp_33R2_DCM.raw"}
},
{
"Subject ID":"33",
"Sample ID":"S33R3",
"Factors":{"Time":"2200","Station and Cast":"S56C001"},
"Additional sample data":{"Replicate":"3","Date":"8/1/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160718_Smp_33R3.mzXML;160721_Smp_33R3.mzXML;160718_Smp_33R3.raw;160721_Smp_33R3.raw;160721_Smp_33R3_DCM.raw"}
},
{
"Subject ID":"34",
"Sample ID":"S34R1",
"Factors":{"Time":"200","Station and Cast":"S57C001"},
"Additional sample data":{"Replicate":"1","Date":"8/2/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160718_Smp_34R1.mzXML;160721_Smp_34R1.mzXML;160718_Smp_34R1.raw;160721_Smp_34R1.raw;160721_Smp_34R1_DCM.raw"}
},
{
"Subject ID":"34",
"Sample ID":"S34R2",
"Factors":{"Time":"200","Station and Cast":"S57C001"},
"Additional sample data":{"Replicate":"2","Date":"8/2/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160718_Smp_34R2.mzXML;160721_Smp_34R2.mzXML;160718_Smp_34R2.raw;160721_Smp_34R2.raw;160721_Smp_34R2_DCM.raw"}
},
{
"Subject ID":"34",
"Sample ID":"S34R3",
"Factors":{"Time":"200","Station and Cast":"S57C001"},
"Additional sample data":{"Replicate":"3","Date":"8/2/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160718_Smp_34R3.mzXML;160721_Smp_34R3.mzXML;160718_Smp_34R3.raw;160721_Smp_34R3.raw;160721_Smp_34R3_DCM.raw"}
},
{
"Subject ID":"35",
"Sample ID":"S35R1",
"Factors":{"Time":"600","Station and Cast":"S58C001"},
"Additional sample data":{"Replicate":"1","Date":"8/2/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160718_Smp_35R1.mzXML;160721_Smp_35R1.mzXML;160718_Smp_35R1.raw;160721_Smp_35R1.raw;160721_Smp_35R1_DCM.raw"}
},
{
"Subject ID":"35",
"Sample ID":"S35R2",
"Factors":{"Time":"600","Station and Cast":"S58C001"},
"Additional sample data":{"Replicate":"2","Date":"8/2/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160718_Smp_35R2.mzXML;160721_Smp_35R2.mzXML;160718_Smp_35R2.raw;160721_Smp_35R2.raw;160721_Smp_35R2_DCM.raw"}
},
{
"Subject ID":"35",
"Sample ID":"S35R3",
"Factors":{"Time":"600","Station and Cast":"S58C001"},
"Additional sample data":{"Replicate":"3","Date":"8/2/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160718_Smp_35R3.mzXML;160721_Smp_35R3.mzXML;160718_Smp_35R3.raw;160721_Smp_35R3.raw;160721_Smp_35R3_DCM.raw"}
},
{
"Subject ID":"36",
"Sample ID":"S36R1",
"Factors":{"Time":"1000","Station and Cast":"S60C001"},
"Additional sample data":{"Replicate":"1","Date":"8/2/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160725_Smp_36R1.mzXML;160728_Smp_36R1.mzXML;160725_Smp_36R1.raw;160728_Smp_36R1.raw;160728_Smp_36R1_DCM.raw"}
},
{
"Subject ID":"36",
"Sample ID":"S36R2",
"Factors":{"Time":"1000","Station and Cast":"S60C001"},
"Additional sample data":{"Replicate":"2","Date":"8/2/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160725_Smp_36R2.mzXML;160728_Smp_36R2.mzXML;160725_Smp_36R2.raw;160728_Smp_36R2.raw;160728_Smp_36R2_DCM.raw"}
},
{
"Subject ID":"36",
"Sample ID":"S36R3",
"Factors":{"Time":"1000","Station and Cast":"S60C001"},
"Additional sample data":{"Replicate":"3","Date":"8/2/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160725_Smp_36R3.mzXML;160728_Smp_36R3.mzXML;160725_Smp_36R3.raw;160728_Smp_36R3.raw;160728_Smp_36R3_DCM.raw"}
},
{
"Subject ID":"37",
"Sample ID":"S37R1",
"Factors":{"Time":"1400","Station and Cast":"S61C001"},
"Additional sample data":{"Replicate":"1","Date":"8/2/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160725_Smp_37R1.mzXML;160728_Smp_37R1.mzXML;160725_Smp_37R1.raw;160728_Smp_37R1.raw;160728_Smp_37R1_DCM.raw"}
},
{
"Subject ID":"37",
"Sample ID":"S37R2",
"Factors":{"Time":"1400","Station and Cast":"S61C001"},
"Additional sample data":{"Replicate":"2","Date":"8/2/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160725_Smp_37R2.mzXML;160728_Smp_37R2.mzXML;160725_Smp_37R2.raw;160728_Smp_37R2.raw;160728_Smp_37R2_DCM.raw"}
},
{
"Subject ID":"37",
"Sample ID":"S37R3",
"Factors":{"Time":"1400","Station and Cast":"S61C001"},
"Additional sample data":{"Replicate":"3","Date":"8/2/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160725_Smp_37R3.mzXML;160728_Smp_37R3.mzXML;160725_Smp_37R3.raw;160728_Smp_37R3.raw;160728_Smp_37R3_DCM.raw"}
},
{
"Subject ID":"38",
"Sample ID":"S38R1",
"Factors":{"Time":"1800","Station and Cast":"S63C001"},
"Additional sample data":{"Replicate":"1","Date":"8/2/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160725_Smp_38R1.mzXML;160728_Smp_38R1.mzXML;160725_Smp_38R1.raw;160728_Smp_38R1.raw;160728_Smp_38R1_DCM.raw"}
},
{
"Subject ID":"38",
"Sample ID":"S38R2",
"Factors":{"Time":"1800","Station and Cast":"S63C001"},
"Additional sample data":{"Replicate":"2","Date":"8/2/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160725_Smp_38R2.mzXML;160728_Smp_38R2.mzXML;160725_Smp_38R2.raw;160728_Smp_38R2.raw;160728_Smp_38R2_DCM.raw"}
},
{
"Subject ID":"38",
"Sample ID":"S38R3",
"Factors":{"Time":"1800","Station and Cast":"S63C001"},
"Additional sample data":{"Replicate":"3","Date":"8/2/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160725_Smp_38R3.mzXML;160728_Smp_38R3.mzXML;160725_Smp_38R3.raw;160728_Smp_38R3.raw;160728_Smp_38R3_DCM.raw"}
},
{
"Subject ID":"39",
"Sample ID":"S39R1",
"Factors":{"Time":"2200","Station and Cast":"S64C001"},
"Additional sample data":{"Replicate":"1","Date":"8/2/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160725_Smp_39R1.mzXML;160728_Smp_39R1.mzXML;160725_Smp_39R1.raw;160728_Smp_39R1.raw;160728_Smp_39R1_DCM.raw"}
},
{
"Subject ID":"39",
"Sample ID":"S39R2",
"Factors":{"Time":"2200","Station and Cast":"S64C001"},
"Additional sample data":{"Replicate":"2","Date":"8/2/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160725_Smp_39R2.mzXML;160728_Smp_39R2.mzXML;160725_Smp_39R2.raw;160728_Smp_39R2.raw;160728_Smp_39R2_DCM.raw"}
},
{
"Subject ID":"39",
"Sample ID":"S39R3",
"Factors":{"Time":"2200","Station and Cast":"S64C001"},
"Additional sample data":{"Replicate":"3","Date":"8/2/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160725_Smp_39R3.mzXML;160728_Smp_39R3.mzXML;160725_Smp_39R3.raw;160728_Smp_39R3.raw;160728_Smp_39R3_DCM.raw"}
},
{
"Subject ID":"40",
"Sample ID":"S40R1",
"Factors":{"Time":"200","Station and Cast":"S66C001"},
"Additional sample data":{"Replicate":"1","Date":"8/3/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160725_Smp_40R1.mzXML;160728_Smp_40R1.mzXML;160725_Smp_40R1.raw;160728_Smp_40R1.raw;160728_Smp_40R1_DCM.raw"}
},
{
"Subject ID":"40",
"Sample ID":"S40R2",
"Factors":{"Time":"200","Station and Cast":"S66C001"},
"Additional sample data":{"Replicate":"2","Date":"8/3/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160725_Smp_40R2.mzXML;160728_Smp_40R2.mzXML;160725_Smp_40R2.raw;160728_Smp_40R2.raw;160728_Smp_40R2_DCM.raw"}
},
{
"Subject ID":"40",
"Sample ID":"S40R3",
"Factors":{"Time":"200","Station and Cast":"S66C001"},
"Additional sample data":{"Replicate":"3","Date":"8/3/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160725_Smp_40R3.mzXML;160728_Smp_40R3.mzXML;160725_Smp_40R3.raw;160728_Smp_40R3.raw;160728_Smp_40R3_DCM.raw"}
},
{
"Subject ID":"41",
"Sample ID":"S41R2",
"Factors":{"Time":"600","Station and Cast":"S67C001"},
"Additional sample data":{"Replicate":"2","Date":"8/3/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160725_Smp_41R2.mzXML;160728_Smp_41R2.mzXML;160725_Smp_41R2.raw;160728_Smp_41R2.raw;160728_Smp_41R2_DCM.raw"}
},
{
"Subject ID":"41",
"Sample ID":"S41R3",
"Factors":{"Time":"600","Station and Cast":"S67C001"},
"Additional sample data":{"Replicate":"3","Date":"8/3/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160725_Smp_41R3.mzXML;160728_Smp_41R3.mzXML;160725_Smp_41R3.raw;160728_Smp_41R3.raw;160728_Smp_41R3_DCM.raw"}
},
{
"Subject ID":"42",
"Sample ID":"S42R1",
"Factors":{"Time":"1000","Station and Cast":"S68C001"},
"Additional sample data":{"Replicate":"1","Date":"8/3/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160725_Smp_42R1.mzXML;160728_Smp_42R1.mzXML;160725_Smp_42R1.raw;160728_Smp_42R1.raw;160728_Smp_42R1_DCM.raw"}
},
{
"Subject ID":"42",
"Sample ID":"S42R2",
"Factors":{"Time":"1000","Station and Cast":"S68C001"},
"Additional sample data":{"Replicate":"2","Date":"8/3/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160725_Smp_42R2.mzXML;160728_Smp_42R2_160729110419.mzXML;160725_Smp_42R2.raw;160728_Smp_42R2.raw;160728_Smp_42R2_DCM.raw"}
},
{
"Subject ID":"42",
"Sample ID":"S42R3",
"Factors":{"Time":"1000","Station and Cast":"S68C001"},
"Additional sample data":{"Replicate":"3","Date":"8/3/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160725_Smp_42R3.mzXML;160728_Smp_42R3_160729113012.mzXML;160725_Smp_42R3.raw;160728_Smp_42R3.raw;160728_Smp_42R3_DCM.raw"}
},
{
"Subject ID":"43",
"Sample ID":"S43R1",
"Factors":{"Time":"1400","Station and Cast":"S69C001"},
"Additional sample data":{"Replicate":"1","Date":"8/3/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160725_Smp_43R1.mzXML;160728_Smp_43R1_160729115604.mzXML;160725_Smp_43R1.raw;160728_Smp_43R1.raw;160728_Smp_43R1_DCM.raw"}
},
{
"Subject ID":"43",
"Sample ID":"S43R2",
"Factors":{"Time":"1400","Station and Cast":"S69C001"},
"Additional sample data":{"Replicate":"2","Date":"8/3/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160725_Smp_43R2.mzXML;160728_Smp_43R2.mzXML;160725_Smp_43R2.raw;160728_Smp_43R2.raw;160728_Smp_43R2_DCM.raw"}
},
{
"Subject ID":"43",
"Sample ID":"S43R3",
"Factors":{"Time":"1400","Station and Cast":"S69C001"},
"Additional sample data":{"Replicate":"3","Date":"8/3/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160725_Smp_43R3.mzXML;160728_Smp_43R3.mzXML;160725_Smp_43R3.raw;160728_Smp_43R3.raw;160728_Smp_43R3_DCM.raw"}
},
{
"Subject ID":"44",
"Sample ID":"S44R1",
"Factors":{"Time":"1800","Station and Cast":"S70C001"},
"Additional sample data":{"Replicate":"1","Date":"8/3/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160725_Smp_44R1.mzXML;160728_Smp_44R1.mzXML;160725_Smp_44R1.raw;160728_Smp_44R1.raw;160728_Smp_44R1_DCM.raw"}
},
{
"Subject ID":"44",
"Sample ID":"S44R2",
"Factors":{"Time":"1800","Station and Cast":"S70C001"},
"Additional sample data":{"Replicate":"2","Date":"8/3/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160725_Smp_44R2.mzXML;160728_Smp_44R2.mzXML;160725_Smp_44R2.raw;160728_Smp_44R2.raw;160728_Smp_44R2_DCM.raw"}
},
{
"Subject ID":"44",
"Sample ID":"S44R3",
"Factors":{"Time":"1800","Station and Cast":"S70C001"},
"Additional sample data":{"Replicate":"3","Date":"8/3/2019 0;00","Vol":"3.5","Depth (m)":"15","RAW_FILE_NAME":"160725_Smp_44R3.mzXML;160728_Smp_44R3.mzXML;160725_Smp_44R3.raw;160728_Smp_44R3.raw;160728_Smp_44R3_DCM.raw"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Samples for particulate metabolites were collected from 15 m water depth by niskin bottles attached to a conductivity, temperature, depth array (CTD). Metabolite samples were collected in triplicate at each time point by filtering approximately 3.5 L of seawater onto 47 mm 0.2 micron Omnipore filters using peristaltic pumps, polycarbonate filter holders, and Masterflex PharMed BPT tubing (Cole-Parmer). Filters were frozen in liquid nitrogen immediately after filtration and stored in a -80 C freezer until extraction.","SAMPLE_TYPE":"Suspended Marine Particulate Matter"},

"TREATMENT":{"TREATMENT_SUMMARY":"No treatments - this was a study of the natural marine microbial population in the surface ocean at approximately 24.5 degrees N, 156.5 degrees W."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Each sample was extracted using a modified Bligh-Dyer extraction. Briefly, filters were cut up and split between two bead beating tubes containing a mixture of 100 µm and 400 µm silica beads. Heavy isotope-labeled internal standards were added along with 750 µL of cold aqueous solved (50:50 methanol:water) and 750 µL of cold organic solvent (dichloromethane). The samples were shaken on a FastPrep-24 Homogenizer for 30 seconds and chilled in a -20 °C freezer repeatedly for three cycles of bead-beating and a total of 30 minutes of chilling. The organic and aqueous layers were separated by spinning samples in a microcentrifuge at 5,000 rpm for 90 seconds at 4 °C. The aqueous layer was removed to a new glass centrifuge tube. The remaining organic fraction was rinsed three more times with additions of 750 µL of 50:50 methanol:water. All aqueous rinses were combined for each sample and dried down under N2 gas. The remaining organic layer was transferred into a clean glass centrifuge tube and the remaining bead beating tube was rinsed two more times with cold organic solvent. The combined organic rinses were centrifuged, transferred to a new tube, and dried under N2 gas. Dried aqueous fractions were re-dissolved in 380 µL of water. Dried organic fractions were re-dissolved in 380 µL of 1:1 water:acetonitrile. 20 µL of isotope-labeled injection standards in water were added to both fractions. Blank filters were extracted alongside samples as methodological blanks.","SAMPLEPREP_PROTOCOL_FILENAME":"Ingalls_Metabolomics_Sample_Processing_2015.txt","PROCESSING_STORAGE_CONDITIONS":"On ice","EXTRACT_STORAGE":"-80℃"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"RP","CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Waters Acquity I-Class","COLUMN_NAME":"Waters Acquity UPLC HSS Cyano (CN) (2.1 mm X 50 mm, 1.8 µm)","FLOW_GRADIENT":"5% B for 2 minutes, ramped to 100% B over 16 minutes, held at 100% B for 2 minutes, and equilibrated at 5% B for 5 minutes","FLOW_RATE":"0.4 mL/min","COLUMN_TEMPERATURE":"35 C","METHODS_FILENAME":"Ingalls_Metabolomics_LC_Parameters_2015.txt","SOLVENT_A":"0.1% formic acid in water","SOLVENT_B":"0.1% formic acid in acetonitrile","ANALYTICAL_TIME":"20 min","PRECONDITIONING":"equilibrated at the starting conditions for at least 10 minutes; several water blanks were run before"},

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

"MS":{"INSTRUMENT_NAME":"Waters Xevo-TQ-S","INSTRUMENT_TYPE":"Triple quadrupole","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"See File"},

"MS_METABOLITE_DATA":{
"Units":"Normalized Peak Area per L of SW filtered",

"Data":[{"Metabolite":"7-dehydrocholesterol","S10R1":"50997.71429","S10R2":"35950","S10R3":"47724.57143","S11R1":"6708.285714","S11R2":"979.3333333","S11R3":"900.3548387","S12R1":"10167.74194","S12R2":"11333.14286","S12R3":"930.3666667","S13R1":"13746","S13R2":"15627.09677","S13R3":"9624.516129","S14R1":"11912.85714","S14R2":"10145.71429","S14R3":"5314.285714","S15R1":"14866.57143","S15R2":"12522.57143","S15R3":"16464","S16R1":"12680.28571","S16R2":"3857.428571","S16R3":"9957.428571","S17R1":"6086","S17R2":"13174.57143","S17R3":"40325.9375","S18R1":"17316.85714","S18R2":"797.4571429","S18R3":"9275.428571","S19R1":"16924.57143","S19R2":"21042.90323","S19R3":"12656.45161","S1R1":"31707.17949","S1R2":"39473.48837","S1R3":"39362.77778","S20R1":"8907.428571","S20R2":"8132.285714","S20R3":"21648.85714","S21R1":"797.4571429","S21R2":"13997.71429","S21R3":"4649.714286","S22R1":"4349.714286","S22R2":"797.4571429","S22R3":"4390.285714","S23R1":"5214","S23R2":"7697.714286","S23R3":"6590.571429","S24R1":"4819.142857","S24R2":"11409.42857","S24R3":"14489.42857","S25R1":"64409.14286","S25R2":"129706.2857","S25R3":"46219.14286","S26R1":"42267.71429","S26R2":"5418.285714","S26R3":"49267.42857","S27R1":"26302","S27R2":"6361.142857","S27R3":"6800","S28R1":"47264","S28R2":"47546.57143","S28R3":"12478.28571","S29R1":"40705.71429","S29R2":"11353.14286","S29R3":"62421.72414","S2R1":"41341.29032","S2R2":"23073.25301","S2R3":"51655.33333","S30R1":"47566.85714","S30R2":"23591.71429","S30R3":"43942.85714","S31R1":"27584.57143","S31R3":"40016.85714","S32R1":"62331.42857","S32R2":"67862.57143","S32R3":"65371.14286","S33R1":"66887.71429","S33R2":"37877.42857","S33R3":"60015.42857","S34R1":"16144.85714","S34R2":"47016.57143","S34R3":"22380","S35R1":"81897.14286","S35R2":"80179.14286","S35R3":"65792.28571","S36R1":"42169.14286","S36R2":"175575.1429","S36R3":"36977.71429","S37R1":"148258.5714","S37R2":"92722.57143","S37R3":"214996.8571","S38R1":"41575.42857","S38R2":"116291.4286","S38R3":"50730.85714","S39R1":"100527.1429","S39R2":"133444.2857","S39R3":"115204.8571","S3R1":"41990.85714","S3R2":"35952.35294","S3R3":"45055.58824","S40R1":"119750.5714","S40R2":"60531.14286","S40R3":"92538.57143","S41R2":"90860","S41R3":"81075.42857","S42R1":"119877.4286","S42R2":"101269.4286","S42R3":"146942.2857","S43R1":"104291.4286","S43R2":"163342.8571","S43R3":"99364","S44R1":"65405.14286","S44R2":"79477.71429","S44R3":"114034","S4R1":"37083.71429","S4R2":"51392.85714","S4R3":"36453.52941","S5R1":"41960.28571","S5R2":"38288","S5R3":"34676.57143","S6R1":"30474.28571","S6R2":"34157.14286","S6R3":"50311.14286","S7R1":"23708","S7R2":"32699.71429","S7R3":"23887.71429","S8R1":"35903.14286","S8R2":"31805.14286","S8R3":"33178.85714","S9R1":"33177.5","S9R2":"38090.38462","S9R3":"60439"},{"Metabolite":"Adenosyl 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"Metabolites":[{"Metabolite":"IAA","CHEBI":"CHEBI:16411","KEGGNAME":"Indole-3-acetate; Indole-3-acetic acid; (Indol-3-yl)acetate; Indoleacetate; Indoleacetic acid; IAA","quantitated m/z":"176.071154","KEGG ID":"C00954                      "},{"Metabolite":"Adenosyl Methionine","CHEBI":"CHEBI:15414","KEGGNAME":"S-Adenosyl-L-methionine; S-Adenosylmethionine; AdoMet; SAM","quantitated m/z":"399.145066","KEGG ID":"C00019"},{"Metabolite":"Vanillic Acid","CHEBI":"CHEBI:30816","KEGGNAME":"Vanillate; Vanillic acid; 4-Hydroxy-3-methoxybenzoate; 4-Hydroxy-3-methoxybenzoic acid","quantitated m/z":"169.050085","KEGG ID":"C06672"},{"Metabolite":"Tryptophan","CHEBI":"CHEBI:16828","KEGGNAME":"L-Tryptophan; Tryptophan; (S)-alpha-Amino-beta-(3-indolyl)-propionic acid","quantitated m/z":"205.097703","KEGG ID":"C00078"},{"Metabolite":"Adenosyl Homocysteine","CHEBI":"CHEBI:16680","KEGGNAME":"S-Adenosyl-L-homocysteine; S-Adenosylhomocysteine","quantitated m/z":"385.129416","KEGG ID":"C00021"},{"Metabolite":"Pyridoxal Phosphate","CHEBI":"CHEBI:18405","KEGGNAME":"Pyridoxal phosphate; Pyridoxal 5-phosphate; Pyridoxal 5'-phosphate; PLP","quantitated m/z":"248.032402","KEGG ID":"C00018"},{"Metabolite":"Dimethyl glycine","CHEBI":"CHEBI:17724","KEGGNAME":"N,N-Dimethylglycine; Dimethylglycine","quantitated m/z":"104.071154","KEGG ID":"C01026"},{"Metabolite":"Glutathione","CHEBI":"CHEBI:16856","KEGGNAME":"Glutathione; 5-L-Glutamyl-L-cysteinylglycine; N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine; gamma-L-Glutamyl-L-cysteinyl-glycine; GSH; Reduced glutathione","quantitated m/z":"308.091634","KEGG ID":"C00051"},{"Metabolite":"Xanthine","CHEBI":"CHEBI:15318","KEGGNAME":"Xanthine","quantitated m/z":"153.041251","KEGG ID":"C00385"},{"Metabolite":"Vitamin B5","CHEBI":"CHEBI:7916","KEGGNAME":"Pantothenate; Pantothenic acid; (R)-Pantothenate","quantitated m/z":"220.118498","KEGG ID":"C00864"},{"Metabolite":"Kynurenine","CHEBI":"CHEBI:16946","KEGGNAME":"L-Kynurenine; 3-Anthraniloyl-L-alanine","quantitated m/z":"209.092618","KEGG ID":"C00328"},{"Metabolite":"Indole 3 acetamide","CHEBI":"CHEBI:16031","KEGGNAME":"(Indol-3-yl)acetamide; Indole-3-acetamide","quantitated m/z":"175.087138","KEGG ID":"C02693"},{"Metabolite":"Chitobiose","CHEBI":"CHEBI:28681","KEGGNAME":"Chitobiose; Diacetylchitobiose; N,N'-Diacetylchitobiose","quantitated m/z":"425.177138","KEGG ID":"C01674"},{"Metabolite":"Caffeine","CHEBI":"CHEBI:27732","KEGGNAME":"Caffeine; 1,3,7-Trimethylxanthine","quantitated m/z":"195.088201","KEGG ID":"C07481"},{"Metabolite":"Pyridoxal","CHEBI":"CHEBI:17310","KEGGNAME":"Pyridoxal","quantitated m/z":"168.066069","KEGG ID":"C00250"},{"Metabolite":"Hydroxo B12","CHEBI":"CHEBI:27786","KEGGNAME":"Hydroxocobalamin; Vitamin B12a; Hydroxycobalamin; Hydroxycob(lll)alamin","quantitated m/z":"664.7861","KEGG ID":"C08230"},{"Metabolite":"Methyl indole 3 carboxylate","CHEBI":"NA","KEGGNAME":"NA","quantitated m/z":"176.071154","KEGG ID":"NA"},{"Metabolite":"Vitamin B2","CHEBI":"CHEBI:17015","KEGGNAME":"Riboflavin; Lactoflavin; 7,8-Dimethyl-10-ribitylisoalloxazine; Vitamin B2","quantitated m/z":"377.146111","KEGG ID":"C00255"},{"Metabolite":"Arachidonic Acid","CHEBI":"CHEBI:15843","KEGGNAME":"Arachidonate; Arachidonic acid; (5Z,8Z,11Z,14Z)-Icosatetraenoic acid; cis-5,8,11,14-Eicosatetraenoic acid","quantitated m/z":"305.248055","KEGG ID":"C00219"},{"Metabolite":"DHA","CHEBI":"CHEBI:36005","KEGGNAME":"(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid; 4,7,10,13,16,19-Docosahexaenoic acid; Docosahexaenoic acid; Docosahexaenoate","quantitated m/z":"329.248055","KEGG ID":"C06429"},{"Metabolite":"EPA","CHEBI":"CHEBI:28364","KEGGNAME":"(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid; (5Z,8Z,11Z,14Z,17Z)-Eicosapentaenoic acid; Eicosapentaenoic acid; 5,8,11,14,17-Icosapentaenoic acid; (5Z,8Z,11Z,14Z,17Z)-Eicosapentaenoate","quantitated m/z":"303.232404","KEGG ID":"C06428"},{"Metabolite":"trans Retinal","CHEBI":"CHEBI:17898","KEGGNAME":"Retinal; Vitamin A aldehyde; Retinene; all-trans-Retinal; all-trans-Vitamin A aldehyde; all-trans-Retinene","quantitated m/z":"285.22184","KEGG ID":"C00376"},{"Metabolite":"7-dehydrocholesterol","CHEBI":"CHEBI:17759","KEGGNAME":"7-Dehydrocholesterol; Provitamin D3; Cholesta-5,7-dien-3beta-ol","quantitated m/z":"367.336475","KEGG ID":"C01164"},{"Metabolite":"Ergosterol","CHEBI":"CHEBI:16933","KEGGNAME":"Ergosterol; Provitamin D2","quantitated m/z":"379.336475","KEGG ID":"C01694"}]
}

}