{ "METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002807","ANALYSIS_ID":"AN004564","VERSION":"1","CREATED_ON":"August 4, 2023, 1:45 am"}, "PROJECT":{"PROJECT_TITLE":"Metabolomic response of river biofilm to cobalt","PROJECT_SUMMARY":"The metabolomic fingerprints of mature biofilms maintained in aquatic microcosms.","INSTITUTE":"Muséum Nationale d'Histoire Naturelle","LAST_NAME":"Marie","FIRST_NAME":"Benjamin","ADDRESS":"12 rue Buffon 75005 Paris","EMAIL":"bmarie@mnhn.fr","PHONE":"+33140793212"}, "STUDY":{"STUDY_TITLE":"Metabolomic response of river biofilm to cobalt","STUDY_SUMMARY":"Metabolites are low molecular-weight molecules produced during cellular metabolism. The global expression of the (meta-)metabolome could thus potentially be used to characterize the exposure of an organism or a community to a specific stressor. Here, the meta-metabolomic fingerprints of mature biofilms were examined after 1, 3 and 7 days of exposure to five concentrations of cobalt (0, 10-7, 10-6, 5 x 10-6 and 10-5 M) in aquatic microcosms. The global changes in meta-metabolomic fingerprints were in plain agreement with those of the other biological parameters studied (cobalt bioaccumulation, biomass, chlorophyll). To better understand the dose-responses of the biofilm meta-metabolome, the untargeted LC-HRMS metabolomic data were further processed using DRomics to build dose-response model curves and to calculate benchmark doses to be aggregated into an empirical cumulative density function. A trend analysis of the dose-response curves suggests the presence of homeostasis (0 - 4.7 x 10-7 M), defense (4.7 x 10-7 – 2.7 x 10-6 M) and damage (higher than 2.7 x 10-6 M) response ranges in biofilms exposed to various cobalt concentrations. The present study demonstrates that the use of untargerted meta-metabolomics represents a promising approach for environmental risk assessment of metals by relating molecular defense and damage mechanisms to contaminant concentration.","INSTITUTE":"Muséum Nationale d'Histoire Naturelle","LAST_NAME":"Marie","FIRST_NAME":"Benjamin","ADDRESS":"12 rue Buffon 75005 Paris","EMAIL":"bmarie@mnhn.fr","PHONE":"+33140793212"}, "SUBJECT":{"SUBJECT_TYPE":"Other organism","SUBJECT_SPECIES":"Biofilm microbial community"}, "SUBJECT_SAMPLE_FACTORS":[ { "Subject ID":"-", "Sample ID":"20220202_C_M1a_1_1_582", "Factors":{"Sampling day":"0","Experimental group":"a","Cobalt concentration":"control"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_C_M1a_1_1_582"} }, { "Subject ID":"-", "Sample ID":"20220202_C_M1b_2_1_583", "Factors":{"Sampling day":"0","Experimental group":"a","Cobalt concentration":"control"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_C_M1b_2_1_583"} }, { "Subject ID":"-", "Sample ID":"20220202_C_M2a_3_1_584", "Factors":{"Sampling day":"0","Experimental group":"a","Cobalt concentration":"control"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_C_M2a_3_1_584"} }, { "Subject ID":"-", "Sample ID":"20220202_C_M2b_4_1_585", "Factors":{"Sampling day":"0","Experimental group":"a","Cobalt concentration":"control"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_C_M2b_4_1_585"} }, { "Subject ID":"-", "Sample ID":"20220202_C_M3a_5_1_586", "Factors":{"Sampling day":"0","Experimental group":"a","Cobalt concentration":"control"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_C_M3a_5_1_586"} }, { "Subject ID":"-", "Sample ID":"20220202_C_M3b_6_1_587", "Factors":{"Sampling day":"0","Experimental group":"a","Cobalt concentration":"control"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_C_M3b_6_1_587"} }, { "Subject ID":"-", "Sample ID":"20220202_B1_1j_M1_7_1_589", "Factors":{"Sampling day":"1","Experimental group":"b","Cobalt concentration":"0"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B1_1j_M1_7_1_589"} }, { "Subject ID":"-", "Sample ID":"20220202_B1_1j_M2_8_1_590", "Factors":{"Sampling day":"1","Experimental group":"b","Cobalt concentration":"0"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B1_1j_M2_8_1_590"} }, { "Subject ID":"-", "Sample ID":"20220202_B2_1j_M1_9_1_591", "Factors":{"Sampling day":"1","Experimental group":"b","Cobalt concentration":"0"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B2_1j_M1_9_1_591"} }, { "Subject ID":"-", "Sample ID":"20220202_B2_1j_M2_10_1_592", "Factors":{"Sampling day":"1","Experimental group":"b","Cobalt concentration":"0"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B2_1j_M2_10_1_592"} }, { "Subject ID":"-", "Sample ID":"20220202_B3_1j_M1_11_1_593", "Factors":{"Sampling day":"1","Experimental group":"b","Cobalt concentration":"0"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B3_1j_M1_11_1_593"} }, { "Subject ID":"-", "Sample ID":"20220202_B3_1j_M2_12_1_594", "Factors":{"Sampling day":"1","Experimental group":"b","Cobalt concentration":"0"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B3_1j_M2_12_1_594"} }, { "Subject ID":"-", "Sample ID":"20220202_B1_3j_M1_37_1_624", "Factors":{"Sampling day":"3","Experimental group":"c","Cobalt concentration":"0"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B1_3j_M1_37_1_624"} }, { "Subject ID":"-", "Sample ID":"20220202_B1_3j_M2_38_1_625", "Factors":{"Sampling day":"3","Experimental group":"c","Cobalt concentration":"0"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B1_3j_M2_38_1_625"} }, { "Subject ID":"-", "Sample ID":"20220202_B2_3j_M1_39_1_626", "Factors":{"Sampling day":"3","Experimental group":"c","Cobalt concentration":"0"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B2_3j_M1_39_1_626"} }, { "Subject ID":"-", "Sample ID":"20220202_B2_3j_M2_40_1_627", "Factors":{"Sampling day":"3","Experimental group":"c","Cobalt concentration":"0"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B2_3j_M2_40_1_627"} }, { "Subject ID":"-", "Sample ID":"20220202_B3_3j_M1_41_1_628", "Factors":{"Sampling day":"3","Experimental group":"c","Cobalt concentration":"0"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B3_3j_M1_41_1_628"} }, { "Subject ID":"-", "Sample ID":"20220202_B3_3j_M2_42_1_629", "Factors":{"Sampling day":"3","Experimental group":"c","Cobalt concentration":"0"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B3_3j_M2_42_1_629"} }, { "Subject ID":"-", "Sample ID":"20220202_B1_7j_M1_67_1_659", "Factors":{"Sampling day":"7","Experimental group":"d","Cobalt concentration":"0"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B1_7j_M1_67_1_659"} }, { "Subject ID":"-", "Sample ID":"20220202_B1_7j_M2_68_1_660", "Factors":{"Sampling day":"7","Experimental group":"d","Cobalt concentration":"0"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B1_7j_M2_68_1_660"} }, { "Subject ID":"-", "Sample ID":"20220202_B2_7j_M1_69_1_661", "Factors":{"Sampling day":"7","Experimental group":"d","Cobalt concentration":"0"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B2_7j_M1_69_1_661"} }, { "Subject ID":"-", "Sample ID":"20220202_B2_7j_M2_70_1_662", "Factors":{"Sampling day":"7","Experimental group":"d","Cobalt concentration":"0"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B2_7j_M2_70_1_662"} }, { "Subject ID":"-", "Sample ID":"20220202_B3_7j_M1_71_1_663", "Factors":{"Sampling day":"7","Experimental group":"d","Cobalt concentration":"0"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B3_7j_M1_71_1_663"} }, { "Subject ID":"-", "Sample ID":"20220202_B3_7j_M2_72_1_664", "Factors":{"Sampling day":"7","Experimental group":"d","Cobalt concentration":"0"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B3_7j_M2_72_1_664"} }, { "Subject ID":"-", "Sample ID":"20220202_B4_1j_M1_13_1_596", "Factors":{"Sampling day":"1","Experimental group":"e","Cobalt concentration":"1 x 10-7"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B4_1j_M1_13_1_596"} }, { "Subject ID":"-", "Sample ID":"20220202_B4_1j_M2_14_1_597", "Factors":{"Sampling day":"1","Experimental group":"e","Cobalt concentration":"1 x 10-7"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B4_1j_M2_14_1_597"} }, { "Subject ID":"-", "Sample ID":"20220202_B5_1j_M1_15_1_598", "Factors":{"Sampling day":"1","Experimental group":"e","Cobalt concentration":"1 x 10-7"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B5_1j_M1_15_1_598"} }, { "Subject ID":"-", "Sample ID":"20220202_B5_1j_M2_16_1_599", "Factors":{"Sampling day":"1","Experimental group":"e","Cobalt concentration":"1 x 10-7"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B5_1j_M2_16_1_599"} }, { "Subject ID":"-", "Sample ID":"20220202_B6_1j_M1_17_1_600", "Factors":{"Sampling day":"1","Experimental group":"e","Cobalt concentration":"1 x 10-7"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B6_1j_M1_17_1_600"} }, { "Subject ID":"-", "Sample ID":"20220202_B6_1j_M2_18_1_601", "Factors":{"Sampling day":"1","Experimental group":"e","Cobalt concentration":"1 x 10-7"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B6_1j_M2_18_1_601"} }, { "Subject ID":"-", "Sample ID":"20220202_B4_3j_M1_43_1_631", "Factors":{"Sampling day":"3","Experimental group":"f","Cobalt concentration":"1 x 10-7"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B4_3j_M1_43_1_631"} }, { "Subject ID":"-", "Sample ID":"20220202_B4_3j_M2_44_1_632", "Factors":{"Sampling day":"3","Experimental group":"f","Cobalt concentration":"1 x 10-7"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B4_3j_M2_44_1_632"} }, { "Subject ID":"-", "Sample ID":"20220202_B5_3j_M1_45_1_633", "Factors":{"Sampling day":"3","Experimental group":"f","Cobalt concentration":"1 x 10-7"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B5_3j_M1_45_1_633"} }, { "Subject ID":"-", "Sample ID":"20220202_B5_3j_M2_46_1_634", "Factors":{"Sampling day":"3","Experimental group":"f","Cobalt concentration":"1 x 10-7"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B5_3j_M2_46_1_634"} }, { "Subject ID":"-", "Sample ID":"20220202_B6_3j_M1_47_1_635", "Factors":{"Sampling day":"3","Experimental group":"f","Cobalt concentration":"1 x 10-7"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B6_3j_M1_47_1_635"} }, { "Subject ID":"-", "Sample ID":"20220202_B6_3j_M2_48_1_636", "Factors":{"Sampling day":"3","Experimental group":"f","Cobalt concentration":"1 x 10-7"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B6_3j_M2_48_1_636"} }, { "Subject ID":"-", "Sample ID":"20220202_B4_7j_M1_73_1_666", "Factors":{"Sampling day":"7","Experimental group":"g","Cobalt concentration":"1 x 10-7"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B4_7j_M1_73_1_666"} }, { "Subject ID":"-", "Sample ID":"20220202_B4_7j_M2_74_1_667", "Factors":{"Sampling day":"7","Experimental group":"g","Cobalt concentration":"1 x 10-7"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B4_7j_M2_74_1_667"} }, { "Subject ID":"-", "Sample ID":"20220202_B5_7j_M1_75_1_668", "Factors":{"Sampling day":"7","Experimental group":"g","Cobalt concentration":"1 x 10-7"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B5_7j_M1_75_1_668"} }, { "Subject ID":"-", "Sample ID":"20220202_B5_7j_M2_76_1_669", "Factors":{"Sampling day":"7","Experimental group":"g","Cobalt concentration":"1 x 10-7"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B5_7j_M2_76_1_669"} }, { "Subject ID":"-", "Sample ID":"20220202_B6_7j_M1_77_1_670", "Factors":{"Sampling day":"7","Experimental group":"g","Cobalt concentration":"1 x 10-7"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B6_7j_M1_77_1_670"} }, { "Subject ID":"-", "Sample ID":"20220202_B6_7j_M2_78_1_671", "Factors":{"Sampling day":"7","Experimental group":"g","Cobalt concentration":"1 x 10-7"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B6_7j_M2_78_1_671"} }, { "Subject ID":"-", "Sample ID":"20220202_B7_1j_M1_19_1_603", "Factors":{"Sampling day":"1","Experimental group":"h","Cobalt concentration":"1 x 10-6"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B7_1j_M1_19_1_603"} }, { "Subject ID":"-", "Sample ID":"20220202_B7_1j_M2_20_1_604", "Factors":{"Sampling day":"1","Experimental group":"h","Cobalt concentration":"1 x 10-6"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B7_1j_M2_20_1_604"} }, { "Subject ID":"-", "Sample ID":"20220202_B8_1j_M1_21_1_605", "Factors":{"Sampling day":"1","Experimental group":"h","Cobalt concentration":"1 x 10-6"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B8_1j_M1_21_1_605"} }, { "Subject ID":"-", "Sample ID":"20220202_B8_1j_M2_22_1_606", "Factors":{"Sampling day":"1","Experimental group":"h","Cobalt concentration":"1 x 10-6"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B8_1j_M2_22_1_606"} }, { "Subject ID":"-", "Sample ID":"20220202_B9_1j_M1_23_1_607", "Factors":{"Sampling day":"1","Experimental group":"h","Cobalt concentration":"1 x 10-6"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B9_1j_M1_23_1_607"} }, { "Subject ID":"-", "Sample ID":"20220202_B9_1j_M2_24_1_608", "Factors":{"Sampling day":"1","Experimental group":"h","Cobalt concentration":"1 x 10-6"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B9_1j_M2_24_1_608"} }, { "Subject ID":"-", "Sample ID":"20220202_B7_3j_M1_49_1_638", "Factors":{"Sampling day":"3","Experimental group":"i","Cobalt concentration":"1 x 10-6"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B7_3j_M1_49_1_638"} }, { "Subject ID":"-", "Sample ID":"20220202_B7_3j_M2_50_1_639", "Factors":{"Sampling day":"3","Experimental group":"i","Cobalt concentration":"1 x 10-6"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B7_3j_M2_50_1_639"} }, { "Subject ID":"-", "Sample ID":"20220202_B8_3j_M1_51_1_640", "Factors":{"Sampling day":"3","Experimental group":"i","Cobalt concentration":"1 x 10-6"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B8_3j_M1_51_1_640"} }, { "Subject ID":"-", "Sample ID":"20220202_B8_3j_M2_52_1_641", "Factors":{"Sampling day":"3","Experimental group":"i","Cobalt concentration":"1 x 10-6"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B8_3j_M2_52_1_641"} }, { "Subject ID":"-", "Sample ID":"20220202_B9_3j_M1_53_1_642", "Factors":{"Sampling day":"3","Experimental group":"i","Cobalt concentration":"1 x 10-6"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B9_3j_M1_53_1_642"} }, { "Subject ID":"-", "Sample ID":"20220202_B9_3j_M2_54_1_643", "Factors":{"Sampling day":"3","Experimental group":"i","Cobalt concentration":"1 x 10-6"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B9_3j_M2_54_1_643"} }, { "Subject ID":"-", "Sample ID":"20220202_B7_7j_M1_79_1_673", "Factors":{"Sampling day":"7","Experimental group":"j","Cobalt concentration":"1 x 10-6"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B7_7j_M1_79_1_673"} }, { "Subject ID":"-", "Sample ID":"20220202_B7_7j_M2_80_1_674", "Factors":{"Sampling day":"7","Experimental group":"j","Cobalt concentration":"1 x 10-6"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B7_7j_M2_80_1_674"} }, { "Subject ID":"-", "Sample ID":"20220202_B8_7j_M1_81_1_675", "Factors":{"Sampling day":"7","Experimental group":"j","Cobalt concentration":"1 x 10-6"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B8_7j_M1_81_1_675"} }, { "Subject ID":"-", "Sample ID":"20220202_B8_7j_M2_82_1_676", "Factors":{"Sampling day":"7","Experimental group":"j","Cobalt concentration":"1 x 10-6"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B8_7j_M2_82_1_676"} }, { "Subject ID":"-", "Sample ID":"20220202_B9_7j_M1_83_1_677", "Factors":{"Sampling day":"7","Experimental group":"j","Cobalt concentration":"1 x 10-6"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B9_7j_M1_83_1_677"} }, { "Subject ID":"-", "Sample ID":"20220202_B9_7j_M2_84_1_678", "Factors":{"Sampling day":"7","Experimental group":"j","Cobalt concentration":"1 x 10-6"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B9_7j_M2_84_1_678"} }, { "Subject ID":"-", "Sample ID":"20220202_B10_1j_M1_25_1_610", "Factors":{"Sampling day":"1","Experimental group":"k","Cobalt concentration":"5 x 10-6"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B10_1j_M1_25_1_610"} }, { "Subject ID":"-", "Sample ID":"20220202_B10_1j_M2_26_1_611", "Factors":{"Sampling day":"1","Experimental group":"k","Cobalt concentration":"5 x 10-6"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B10_1j_M2_26_1_611"} }, { "Subject ID":"-", "Sample ID":"20220202_B11_1j_M1_27_1_612", "Factors":{"Sampling day":"1","Experimental group":"k","Cobalt concentration":"5 x 10-6"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B11_1j_M1_27_1_612"} }, { "Subject ID":"-", "Sample ID":"20220202_B11_1j_M2_28_1_613", "Factors":{"Sampling day":"1","Experimental group":"k","Cobalt concentration":"5 x 10-6"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B11_1j_M2_28_1_613"} }, { "Subject ID":"-", "Sample ID":"20220202_B12_1j_M1_29_1_614", "Factors":{"Sampling day":"1","Experimental group":"k","Cobalt concentration":"5 x 10-6"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B12_1j_M1_29_1_614"} }, { "Subject ID":"-", "Sample ID":"20220202_B12_1j_M2_30_1_615", "Factors":{"Sampling day":"1","Experimental group":"k","Cobalt concentration":"5 x 10-6"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B12_1j_M2_30_1_615"} }, { "Subject ID":"-", "Sample ID":"20220202_B10_3j_M1_55_1_645", "Factors":{"Sampling day":"3","Experimental group":"l","Cobalt concentration":"5 x 10-6"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B10_3j_M1_55_1_645"} }, { "Subject ID":"-", "Sample ID":"20220202_B10_3j_M2_56_1_646", "Factors":{"Sampling day":"3","Experimental group":"l","Cobalt concentration":"5 x 10-6"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B10_3j_M2_56_1_646"} }, { "Subject ID":"-", "Sample ID":"20220202_B11_3j_M1_57_1_647", "Factors":{"Sampling day":"3","Experimental group":"l","Cobalt concentration":"5 x 10-6"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B11_3j_M1_57_1_647"} }, { "Subject ID":"-", "Sample ID":"20220202_B11_3j_M2_58_1_648", "Factors":{"Sampling day":"3","Experimental group":"l","Cobalt concentration":"5 x 10-6"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B11_3j_M2_58_1_648"} }, { "Subject ID":"-", "Sample ID":"20220202_B12_3j_M1_59_1_649", "Factors":{"Sampling day":"3","Experimental group":"l","Cobalt concentration":"5 x 10-6"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B12_3j_M1_59_1_649"} }, { "Subject ID":"-", "Sample ID":"20220202_B12_3j_M2_60_1_650", "Factors":{"Sampling day":"3","Experimental group":"l","Cobalt concentration":"5 x 10-6"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B12_3j_M2_60_1_650"} }, { "Subject ID":"-", "Sample ID":"20220202_B10_7j_M1_85_1_680", "Factors":{"Sampling day":"7","Experimental group":"m","Cobalt concentration":"5 x 10-6"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B10_7j_M1_85_1_680"} }, { "Subject ID":"-", "Sample ID":"20220202_B10_7j_M2_86_1_681", "Factors":{"Sampling day":"7","Experimental group":"m","Cobalt concentration":"5 x 10-6"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B10_7j_M2_86_1_681"} }, { "Subject ID":"-", "Sample ID":"20220202_B11_7j_M1_87_1_682", "Factors":{"Sampling day":"7","Experimental group":"m","Cobalt concentration":"5 x 10-6"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B11_7j_M1_87_1_682"} }, { "Subject ID":"-", "Sample ID":"20220202_B11_7j_M2_88_1_683", "Factors":{"Sampling day":"7","Experimental group":"m","Cobalt concentration":"5 x 10-6"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B11_7j_M2_88_1_683"} }, { "Subject ID":"-", "Sample ID":"20220202_B12_7j_M1_89_1_684", "Factors":{"Sampling day":"7","Experimental group":"m","Cobalt concentration":"5 x 10-6"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B12_7j_M1_89_1_684"} }, { "Subject ID":"-", "Sample ID":"20220202_B12_7j_M2_90_1_685", "Factors":{"Sampling day":"7","Experimental group":"m","Cobalt concentration":"5 x 10-6"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B12_7j_M2_90_1_685"} }, { "Subject ID":"-", "Sample ID":"20220202_B13_1j_M1_31_1_617", "Factors":{"Sampling day":"1","Experimental group":"n","Cobalt concentration":"1 x 10-5"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B13_1j_M1_31_1_617"} }, { "Subject ID":"-", "Sample ID":"20220202_B13_1j_M2_32_1_618", "Factors":{"Sampling day":"1","Experimental group":"n","Cobalt concentration":"1 x 10-5"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B13_1j_M2_32_1_618"} }, { "Subject ID":"-", "Sample ID":"20220202_B14_1j_M1_33_1_619", "Factors":{"Sampling day":"1","Experimental group":"n","Cobalt concentration":"1 x 10-5"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B14_1j_M1_33_1_619"} }, { "Subject ID":"-", "Sample ID":"20220202_B14_1j_M2_34_1_620", "Factors":{"Sampling day":"1","Experimental group":"n","Cobalt concentration":"1 x 10-5"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B14_1j_M2_34_1_620"} }, { "Subject ID":"-", "Sample ID":"20220202_B15_1j_M1_35_1_621", "Factors":{"Sampling day":"1","Experimental group":"n","Cobalt concentration":"1 x 10-5"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B15_1j_M1_35_1_621"} }, { "Subject ID":"-", "Sample ID":"20220202_B15_1j_M2_36_1_622", "Factors":{"Sampling day":"1","Experimental group":"n","Cobalt concentration":"1 x 10-5"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B15_1j_M2_36_1_622"} }, { "Subject ID":"-", "Sample ID":"20220202_B13_3j_M1_61_1_652", "Factors":{"Sampling day":"3","Experimental group":"o","Cobalt concentration":"1 x 10-5"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B13_3j_M1_61_1_652"} }, { "Subject ID":"-", "Sample ID":"20220202_B13_3j_M2_62_1_653", "Factors":{"Sampling day":"3","Experimental group":"o","Cobalt concentration":"1 x 10-5"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B13_3j_M2_62_1_653"} }, { "Subject ID":"-", "Sample ID":"20220202_B14_3j_M1_63_1_654", "Factors":{"Sampling day":"3","Experimental group":"o","Cobalt concentration":"1 x 10-5"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B14_3j_M1_63_1_654"} }, { "Subject ID":"-", "Sample ID":"20220202_B14_3j_M2_64_1_655", "Factors":{"Sampling day":"3","Experimental group":"o","Cobalt concentration":"1 x 10-5"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B14_3j_M2_64_1_655"} }, { "Subject ID":"-", "Sample ID":"20220202_B15_3j_M1_65_1_656", "Factors":{"Sampling day":"3","Experimental group":"o","Cobalt concentration":"1 x 10-5"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B15_3j_M1_65_1_656"} }, { "Subject ID":"-", "Sample ID":"20220202_B15_3j_M2_66_1_657", "Factors":{"Sampling day":"3","Experimental group":"o","Cobalt concentration":"1 x 10-5"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B15_3j_M2_66_1_657"} }, { "Subject ID":"-", "Sample ID":"20220202_B13_7j_M1_91_1_687", "Factors":{"Sampling day":"7","Experimental group":"p","Cobalt concentration":"1 x 10-5"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B13_7j_M1_91_1_687"} }, { "Subject ID":"-", "Sample ID":"20220202_B13_7j_M2_92_1_688", "Factors":{"Sampling day":"7","Experimental group":"p","Cobalt concentration":"1 x 10-5"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B13_7j_M2_92_1_688"} }, { "Subject ID":"-", "Sample ID":"20220202_B14_7j_M1_93_1_689", "Factors":{"Sampling day":"7","Experimental group":"p","Cobalt concentration":"1 x 10-5"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B14_7j_M1_93_1_689"} }, { "Subject ID":"-", "Sample ID":"20220202_B14_7j_M2_94_1_690", "Factors":{"Sampling day":"7","Experimental group":"p","Cobalt concentration":"1 x 10-5"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B14_7j_M2_94_1_690"} }, { "Subject ID":"-", "Sample ID":"20220202_B15_7j_M1_95_1_691", "Factors":{"Sampling day":"7","Experimental group":"p","Cobalt concentration":"1 x 10-5"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B15_7j_M1_95_1_691"} }, { "Subject ID":"-", "Sample ID":"20220202_B15_7j_M2_96_1_692", "Factors":{"Sampling day":"7","Experimental group":"p","Cobalt concentration":"1 x 10-5"}, "Additional sample data":{"RAW_FILE_NAME":"Conversion MZXML20220202_B15_7j_M2_96_1_692"} } ], "COLLECTION":{"COLLECTION_SUMMARY":"Four weeks before the start of the experiment, the mature biofilms were collected by natural colonisation of glass slides (5 x 10 cm).","SAMPLE_TYPE":"Microbial biofilm"}, "TREATMENT":{"TREATMENT_SUMMARY":"A total of 15 microcosms were filled with 15 L of the Gave de Pau water; three for each of the five exposure conditions: 2 x 10-9 M (background concentration used as control), 1 x 10-7, 1 x 10-6, 5 x 10-6 and 1 x10-5 M Co. Cobalt (Cobalt Standard for ICP, 1000 mg·L-1, Supelco, Germany) was added in each microcosm and let equilibrating for 24 h (D-1). The microcosms were placed in one of the artificial streams of the facility in order to maintain the water temperature at 13.5 ± 1.0°C (Table S2). After one, three and seven days of exposure (D1, D3 and D7), slides were collected from each microcosm for metabolomics."}, "SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Briefly, freeze-dried biofilms (1 mg) were diluted in 10 µL of cold 75% methanol acidified with 0.1% formic acid and sonicated on ice during 30 s, at 80 % of the maximum intensity (SONICS Vibra Cell, Newton, CT, USA; 130 Watts, 20 kHz). The homogenates were then centrifuged at 4°C (12,000 g: 10 min). The supernatants were then collected and stored in the dark at -20°C.","PROCESSING_STORAGE_CONDITIONS":"-20℃"}, "CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Waters Acquity","COLUMN_NAME":"Thermo Acclaim Polar Advantage II (150 x 3mm,3um)","SOLVENT_A":"Water","SOLVENT_B":"ACN","FLOW_GRADIENT":"5-90%","FLOW_RATE":"300 microliter per minute","COLUMN_TEMPERATURE":"40"}, "ANALYSIS":{"ANALYSIS_TYPE":"MS","LABORATORY_NAME":"PtSMB"}, "MS":{"INSTRUMENT_NAME":"Bruker maXis Impact qTOF","INSTRUMENT_TYPE":"QTOF","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"Metabolites were subsequently ionised and analysed using an electrospray ionization hybrid quadrupole time-of-flight high-resolution mass spectrometer (ESI-Qq-TOF Compact, Bruker) at 2 Hz speed on the 50–1500 m/z range on positive autoMS/MS mode between 2 and 8 Hz speed on the 50–1500 m/z range with information-dependent acquisition (IDA).","MS_RESULTS_FILE":"ST002807_AN004564_Results.txt UNITS:Dalton Has m/z:Neutral masses Has RT:Yes RT units:Seconds"} }