#METABOLOMICS WORKBENCH bmarie_20230802_005847 DATATRACK_ID:4198 STUDY_ID:ST002807 ANALYSIS_ID:AN004564 PROJECT_ID:PR001754
VERSION             	1
CREATED_ON             	August 4, 2023, 1:45 am
#PROJECT
PR:PROJECT_TITLE                 	Metabolomic response of river biofilm to cobalt
PR:PROJECT_SUMMARY               	The metabolomic fingerprints of mature biofilms maintained in aquatic
PR:PROJECT_SUMMARY               	microcosms.
PR:INSTITUTE                     	Muséum Nationale d'Histoire Naturelle
PR:LAST_NAME                     	Marie
PR:FIRST_NAME                    	Benjamin
PR:ADDRESS                       	12 rue Buffon 75005 Paris
PR:EMAIL                         	bmarie@mnhn.fr
PR:PHONE                         	+33140793212
#STUDY
ST:STUDY_TITLE                   	Metabolomic response of river biofilm to cobalt
ST:STUDY_SUMMARY                 	Metabolites are low molecular-weight molecules produced during cellular
ST:STUDY_SUMMARY                 	metabolism. The global expression of the (meta-)metabolome could thus
ST:STUDY_SUMMARY                 	potentially be used to characterize the exposure of an organism or a community
ST:STUDY_SUMMARY                 	to a specific stressor. Here, the meta-metabolomic fingerprints of mature
ST:STUDY_SUMMARY                 	biofilms were examined after 1, 3 and 7 days of exposure to five concentrations
ST:STUDY_SUMMARY                 	of cobalt (0, 10-7, 10-6, 5 x 10-6 and 10-5 M) in aquatic microcosms. The global
ST:STUDY_SUMMARY                 	changes in meta-metabolomic fingerprints were in plain agreement with those of
ST:STUDY_SUMMARY                 	the other biological parameters studied (cobalt bioaccumulation, biomass,
ST:STUDY_SUMMARY                 	chlorophyll). To better understand the dose-responses of the biofilm
ST:STUDY_SUMMARY                 	meta-metabolome, the untargeted LC-HRMS metabolomic data were further processed
ST:STUDY_SUMMARY                 	using DRomics to build dose-response model curves and to calculate benchmark
ST:STUDY_SUMMARY                 	doses to be aggregated into an empirical cumulative density function. A trend
ST:STUDY_SUMMARY                 	analysis of the dose-response curves suggests the presence of homeostasis (0 -
ST:STUDY_SUMMARY                 	4.7 x 10-7 M), defense (4.7 x 10-7 – 2.7 x 10-6 M) and damage (higher than 2.7
ST:STUDY_SUMMARY                 	x 10-6 M) response ranges in biofilms exposed to various cobalt concentrations.
ST:STUDY_SUMMARY                 	The present study demonstrates that the use of untargerted meta-metabolomics
ST:STUDY_SUMMARY                 	represents a promising approach for environmental risk assessment of metals by
ST:STUDY_SUMMARY                 	relating molecular defense and damage mechanisms to contaminant concentration.
ST:INSTITUTE                     	Muséum Nationale d'Histoire Naturelle
ST:LAST_NAME                     	Marie
ST:FIRST_NAME                    	Benjamin
ST:ADDRESS                       	12 rue Buffon 75005 Paris
ST:EMAIL                         	bmarie@mnhn.fr
ST:PHONE                         	+33140793212
#SUBJECT
SU:SUBJECT_TYPE                  	Other organism
SU:SUBJECT_SPECIES               	Biofilm microbial community
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	-	20220202_C_M1a_1_1_582	Sampling day:0 | Experimental group:a | Cobalt concentration:control	RAW_FILE_NAME=Conversion MZXML20220202_C_M1a_1_1_582
SUBJECT_SAMPLE_FACTORS           	-	20220202_C_M1b_2_1_583	Sampling day:0 | Experimental group:a | Cobalt concentration:control	RAW_FILE_NAME=Conversion MZXML20220202_C_M1b_2_1_583
SUBJECT_SAMPLE_FACTORS           	-	20220202_C_M2a_3_1_584	Sampling day:0 | Experimental group:a | Cobalt concentration:control	RAW_FILE_NAME=Conversion MZXML20220202_C_M2a_3_1_584
SUBJECT_SAMPLE_FACTORS           	-	20220202_C_M2b_4_1_585	Sampling day:0 | Experimental group:a | Cobalt concentration:control	RAW_FILE_NAME=Conversion MZXML20220202_C_M2b_4_1_585
SUBJECT_SAMPLE_FACTORS           	-	20220202_C_M3a_5_1_586	Sampling day:0 | Experimental group:a | Cobalt concentration:control	RAW_FILE_NAME=Conversion MZXML20220202_C_M3a_5_1_586
SUBJECT_SAMPLE_FACTORS           	-	20220202_C_M3b_6_1_587	Sampling day:0 | Experimental group:a | Cobalt concentration:control	RAW_FILE_NAME=Conversion MZXML20220202_C_M3b_6_1_587
SUBJECT_SAMPLE_FACTORS           	-	20220202_B1_1j_M1_7_1_589	Sampling day:1 | Experimental group:b | Cobalt concentration:0	RAW_FILE_NAME=Conversion MZXML20220202_B1_1j_M1_7_1_589
SUBJECT_SAMPLE_FACTORS           	-	20220202_B1_1j_M2_8_1_590	Sampling day:1 | Experimental group:b | Cobalt concentration:0	RAW_FILE_NAME=Conversion MZXML20220202_B1_1j_M2_8_1_590
SUBJECT_SAMPLE_FACTORS           	-	20220202_B2_1j_M1_9_1_591	Sampling day:1 | Experimental group:b | Cobalt concentration:0	RAW_FILE_NAME=Conversion MZXML20220202_B2_1j_M1_9_1_591
SUBJECT_SAMPLE_FACTORS           	-	20220202_B2_1j_M2_10_1_592	Sampling day:1 | Experimental group:b | Cobalt concentration:0	RAW_FILE_NAME=Conversion MZXML20220202_B2_1j_M2_10_1_592
SUBJECT_SAMPLE_FACTORS           	-	20220202_B3_1j_M1_11_1_593	Sampling day:1 | Experimental group:b | Cobalt concentration:0	RAW_FILE_NAME=Conversion MZXML20220202_B3_1j_M1_11_1_593
SUBJECT_SAMPLE_FACTORS           	-	20220202_B3_1j_M2_12_1_594	Sampling day:1 | Experimental group:b | Cobalt concentration:0	RAW_FILE_NAME=Conversion MZXML20220202_B3_1j_M2_12_1_594
SUBJECT_SAMPLE_FACTORS           	-	20220202_B1_3j_M1_37_1_624	Sampling day:3 | Experimental group:c | Cobalt concentration:0	RAW_FILE_NAME=Conversion MZXML20220202_B1_3j_M1_37_1_624
SUBJECT_SAMPLE_FACTORS           	-	20220202_B1_3j_M2_38_1_625	Sampling day:3 | Experimental group:c | Cobalt concentration:0	RAW_FILE_NAME=Conversion MZXML20220202_B1_3j_M2_38_1_625
SUBJECT_SAMPLE_FACTORS           	-	20220202_B2_3j_M1_39_1_626	Sampling day:3 | Experimental group:c | Cobalt concentration:0	RAW_FILE_NAME=Conversion MZXML20220202_B2_3j_M1_39_1_626
SUBJECT_SAMPLE_FACTORS           	-	20220202_B2_3j_M2_40_1_627	Sampling day:3 | Experimental group:c | Cobalt concentration:0	RAW_FILE_NAME=Conversion MZXML20220202_B2_3j_M2_40_1_627
SUBJECT_SAMPLE_FACTORS           	-	20220202_B3_3j_M1_41_1_628	Sampling day:3 | Experimental group:c | Cobalt concentration:0	RAW_FILE_NAME=Conversion MZXML20220202_B3_3j_M1_41_1_628
SUBJECT_SAMPLE_FACTORS           	-	20220202_B3_3j_M2_42_1_629	Sampling day:3 | Experimental group:c | Cobalt concentration:0	RAW_FILE_NAME=Conversion MZXML20220202_B3_3j_M2_42_1_629
SUBJECT_SAMPLE_FACTORS           	-	20220202_B1_7j_M1_67_1_659	Sampling day:7 | Experimental group:d | Cobalt concentration:0	RAW_FILE_NAME=Conversion MZXML20220202_B1_7j_M1_67_1_659
SUBJECT_SAMPLE_FACTORS           	-	20220202_B1_7j_M2_68_1_660	Sampling day:7 | Experimental group:d | Cobalt concentration:0	RAW_FILE_NAME=Conversion MZXML20220202_B1_7j_M2_68_1_660
SUBJECT_SAMPLE_FACTORS           	-	20220202_B2_7j_M1_69_1_661	Sampling day:7 | Experimental group:d | Cobalt concentration:0	RAW_FILE_NAME=Conversion MZXML20220202_B2_7j_M1_69_1_661
SUBJECT_SAMPLE_FACTORS           	-	20220202_B2_7j_M2_70_1_662	Sampling day:7 | Experimental group:d | Cobalt concentration:0	RAW_FILE_NAME=Conversion MZXML20220202_B2_7j_M2_70_1_662
SUBJECT_SAMPLE_FACTORS           	-	20220202_B3_7j_M1_71_1_663	Sampling day:7 | Experimental group:d | Cobalt concentration:0	RAW_FILE_NAME=Conversion MZXML20220202_B3_7j_M1_71_1_663
SUBJECT_SAMPLE_FACTORS           	-	20220202_B3_7j_M2_72_1_664	Sampling day:7 | Experimental group:d | Cobalt concentration:0	RAW_FILE_NAME=Conversion MZXML20220202_B3_7j_M2_72_1_664
SUBJECT_SAMPLE_FACTORS           	-	20220202_B4_1j_M1_13_1_596	Sampling day:1 | Experimental group:e | Cobalt concentration:1 x 10-7	RAW_FILE_NAME=Conversion MZXML20220202_B4_1j_M1_13_1_596
SUBJECT_SAMPLE_FACTORS           	-	20220202_B4_1j_M2_14_1_597	Sampling day:1 | Experimental group:e | Cobalt concentration:1 x 10-7	RAW_FILE_NAME=Conversion MZXML20220202_B4_1j_M2_14_1_597
SUBJECT_SAMPLE_FACTORS           	-	20220202_B5_1j_M1_15_1_598	Sampling day:1 | Experimental group:e | Cobalt concentration:1 x 10-7	RAW_FILE_NAME=Conversion MZXML20220202_B5_1j_M1_15_1_598
SUBJECT_SAMPLE_FACTORS           	-	20220202_B5_1j_M2_16_1_599	Sampling day:1 | Experimental group:e | Cobalt concentration:1 x 10-7	RAW_FILE_NAME=Conversion MZXML20220202_B5_1j_M2_16_1_599
SUBJECT_SAMPLE_FACTORS           	-	20220202_B6_1j_M1_17_1_600	Sampling day:1 | Experimental group:e | Cobalt concentration:1 x 10-7	RAW_FILE_NAME=Conversion MZXML20220202_B6_1j_M1_17_1_600
SUBJECT_SAMPLE_FACTORS           	-	20220202_B6_1j_M2_18_1_601	Sampling day:1 | Experimental group:e | Cobalt concentration:1 x 10-7	RAW_FILE_NAME=Conversion MZXML20220202_B6_1j_M2_18_1_601
SUBJECT_SAMPLE_FACTORS           	-	20220202_B4_3j_M1_43_1_631	Sampling day:3 | Experimental group:f | Cobalt concentration:1 x 10-7	RAW_FILE_NAME=Conversion MZXML20220202_B4_3j_M1_43_1_631
SUBJECT_SAMPLE_FACTORS           	-	20220202_B4_3j_M2_44_1_632	Sampling day:3 | Experimental group:f | Cobalt concentration:1 x 10-7	RAW_FILE_NAME=Conversion MZXML20220202_B4_3j_M2_44_1_632
SUBJECT_SAMPLE_FACTORS           	-	20220202_B5_3j_M1_45_1_633	Sampling day:3 | Experimental group:f | Cobalt concentration:1 x 10-7	RAW_FILE_NAME=Conversion MZXML20220202_B5_3j_M1_45_1_633
SUBJECT_SAMPLE_FACTORS           	-	20220202_B5_3j_M2_46_1_634	Sampling day:3 | Experimental group:f | Cobalt concentration:1 x 10-7	RAW_FILE_NAME=Conversion MZXML20220202_B5_3j_M2_46_1_634
SUBJECT_SAMPLE_FACTORS           	-	20220202_B6_3j_M1_47_1_635	Sampling day:3 | Experimental group:f | Cobalt concentration:1 x 10-7	RAW_FILE_NAME=Conversion MZXML20220202_B6_3j_M1_47_1_635
SUBJECT_SAMPLE_FACTORS           	-	20220202_B6_3j_M2_48_1_636	Sampling day:3 | Experimental group:f | Cobalt concentration:1 x 10-7	RAW_FILE_NAME=Conversion MZXML20220202_B6_3j_M2_48_1_636
SUBJECT_SAMPLE_FACTORS           	-	20220202_B4_7j_M1_73_1_666	Sampling day:7 | Experimental group:g | Cobalt concentration:1 x 10-7	RAW_FILE_NAME=Conversion MZXML20220202_B4_7j_M1_73_1_666
SUBJECT_SAMPLE_FACTORS           	-	20220202_B4_7j_M2_74_1_667	Sampling day:7 | Experimental group:g | Cobalt concentration:1 x 10-7	RAW_FILE_NAME=Conversion MZXML20220202_B4_7j_M2_74_1_667
SUBJECT_SAMPLE_FACTORS           	-	20220202_B5_7j_M1_75_1_668	Sampling day:7 | Experimental group:g | Cobalt concentration:1 x 10-7	RAW_FILE_NAME=Conversion MZXML20220202_B5_7j_M1_75_1_668
SUBJECT_SAMPLE_FACTORS           	-	20220202_B5_7j_M2_76_1_669	Sampling day:7 | Experimental group:g | Cobalt concentration:1 x 10-7	RAW_FILE_NAME=Conversion MZXML20220202_B5_7j_M2_76_1_669
SUBJECT_SAMPLE_FACTORS           	-	20220202_B6_7j_M1_77_1_670	Sampling day:7 | Experimental group:g | Cobalt concentration:1 x 10-7	RAW_FILE_NAME=Conversion MZXML20220202_B6_7j_M1_77_1_670
SUBJECT_SAMPLE_FACTORS           	-	20220202_B6_7j_M2_78_1_671	Sampling day:7 | Experimental group:g | Cobalt concentration:1 x 10-7	RAW_FILE_NAME=Conversion MZXML20220202_B6_7j_M2_78_1_671
SUBJECT_SAMPLE_FACTORS           	-	20220202_B7_1j_M1_19_1_603	Sampling day:1 | Experimental group:h | Cobalt concentration:1 x 10-6	RAW_FILE_NAME=Conversion MZXML20220202_B7_1j_M1_19_1_603
SUBJECT_SAMPLE_FACTORS           	-	20220202_B7_1j_M2_20_1_604	Sampling day:1 | Experimental group:h | Cobalt concentration:1 x 10-6	RAW_FILE_NAME=Conversion MZXML20220202_B7_1j_M2_20_1_604
SUBJECT_SAMPLE_FACTORS           	-	20220202_B8_1j_M1_21_1_605	Sampling day:1 | Experimental group:h | Cobalt concentration:1 x 10-6	RAW_FILE_NAME=Conversion MZXML20220202_B8_1j_M1_21_1_605
SUBJECT_SAMPLE_FACTORS           	-	20220202_B8_1j_M2_22_1_606	Sampling day:1 | Experimental group:h | Cobalt concentration:1 x 10-6	RAW_FILE_NAME=Conversion MZXML20220202_B8_1j_M2_22_1_606
SUBJECT_SAMPLE_FACTORS           	-	20220202_B9_1j_M1_23_1_607	Sampling day:1 | Experimental group:h | Cobalt concentration:1 x 10-6	RAW_FILE_NAME=Conversion MZXML20220202_B9_1j_M1_23_1_607
SUBJECT_SAMPLE_FACTORS           	-	20220202_B9_1j_M2_24_1_608	Sampling day:1 | Experimental group:h | Cobalt concentration:1 x 10-6	RAW_FILE_NAME=Conversion MZXML20220202_B9_1j_M2_24_1_608
SUBJECT_SAMPLE_FACTORS           	-	20220202_B7_3j_M1_49_1_638	Sampling day:3 | Experimental group:i | Cobalt concentration:1 x 10-6	RAW_FILE_NAME=Conversion MZXML20220202_B7_3j_M1_49_1_638
SUBJECT_SAMPLE_FACTORS           	-	20220202_B7_3j_M2_50_1_639	Sampling day:3 | Experimental group:i | Cobalt concentration:1 x 10-6	RAW_FILE_NAME=Conversion MZXML20220202_B7_3j_M2_50_1_639
SUBJECT_SAMPLE_FACTORS           	-	20220202_B8_3j_M1_51_1_640	Sampling day:3 | Experimental group:i | Cobalt concentration:1 x 10-6	RAW_FILE_NAME=Conversion MZXML20220202_B8_3j_M1_51_1_640
SUBJECT_SAMPLE_FACTORS           	-	20220202_B8_3j_M2_52_1_641	Sampling day:3 | Experimental group:i | Cobalt concentration:1 x 10-6	RAW_FILE_NAME=Conversion MZXML20220202_B8_3j_M2_52_1_641
SUBJECT_SAMPLE_FACTORS           	-	20220202_B9_3j_M1_53_1_642	Sampling day:3 | Experimental group:i | Cobalt concentration:1 x 10-6	RAW_FILE_NAME=Conversion MZXML20220202_B9_3j_M1_53_1_642
SUBJECT_SAMPLE_FACTORS           	-	20220202_B9_3j_M2_54_1_643	Sampling day:3 | Experimental group:i | Cobalt concentration:1 x 10-6	RAW_FILE_NAME=Conversion MZXML20220202_B9_3j_M2_54_1_643
SUBJECT_SAMPLE_FACTORS           	-	20220202_B7_7j_M1_79_1_673	Sampling day:7 | Experimental group:j | Cobalt concentration:1 x 10-6	RAW_FILE_NAME=Conversion MZXML20220202_B7_7j_M1_79_1_673
SUBJECT_SAMPLE_FACTORS           	-	20220202_B7_7j_M2_80_1_674	Sampling day:7 | Experimental group:j | Cobalt concentration:1 x 10-6	RAW_FILE_NAME=Conversion MZXML20220202_B7_7j_M2_80_1_674
SUBJECT_SAMPLE_FACTORS           	-	20220202_B8_7j_M1_81_1_675	Sampling day:7 | Experimental group:j | Cobalt concentration:1 x 10-6	RAW_FILE_NAME=Conversion MZXML20220202_B8_7j_M1_81_1_675
SUBJECT_SAMPLE_FACTORS           	-	20220202_B8_7j_M2_82_1_676	Sampling day:7 | Experimental group:j | Cobalt concentration:1 x 10-6	RAW_FILE_NAME=Conversion MZXML20220202_B8_7j_M2_82_1_676
SUBJECT_SAMPLE_FACTORS           	-	20220202_B9_7j_M1_83_1_677	Sampling day:7 | Experimental group:j | Cobalt concentration:1 x 10-6	RAW_FILE_NAME=Conversion MZXML20220202_B9_7j_M1_83_1_677
SUBJECT_SAMPLE_FACTORS           	-	20220202_B9_7j_M2_84_1_678	Sampling day:7 | Experimental group:j | Cobalt concentration:1 x 10-6	RAW_FILE_NAME=Conversion MZXML20220202_B9_7j_M2_84_1_678
SUBJECT_SAMPLE_FACTORS           	-	20220202_B10_1j_M1_25_1_610	Sampling day:1 | Experimental group:k | Cobalt concentration:5 x 10-6	RAW_FILE_NAME=Conversion MZXML20220202_B10_1j_M1_25_1_610
SUBJECT_SAMPLE_FACTORS           	-	20220202_B10_1j_M2_26_1_611	Sampling day:1 | Experimental group:k | Cobalt concentration:5 x 10-6	RAW_FILE_NAME=Conversion MZXML20220202_B10_1j_M2_26_1_611
SUBJECT_SAMPLE_FACTORS           	-	20220202_B11_1j_M1_27_1_612	Sampling day:1 | Experimental group:k | Cobalt concentration:5 x 10-6	RAW_FILE_NAME=Conversion MZXML20220202_B11_1j_M1_27_1_612
SUBJECT_SAMPLE_FACTORS           	-	20220202_B11_1j_M2_28_1_613	Sampling day:1 | Experimental group:k | Cobalt concentration:5 x 10-6	RAW_FILE_NAME=Conversion MZXML20220202_B11_1j_M2_28_1_613
SUBJECT_SAMPLE_FACTORS           	-	20220202_B12_1j_M1_29_1_614	Sampling day:1 | Experimental group:k | Cobalt concentration:5 x 10-6	RAW_FILE_NAME=Conversion MZXML20220202_B12_1j_M1_29_1_614
SUBJECT_SAMPLE_FACTORS           	-	20220202_B12_1j_M2_30_1_615	Sampling day:1 | Experimental group:k | Cobalt concentration:5 x 10-6	RAW_FILE_NAME=Conversion MZXML20220202_B12_1j_M2_30_1_615
SUBJECT_SAMPLE_FACTORS           	-	20220202_B10_3j_M1_55_1_645	Sampling day:3 | Experimental group:l | Cobalt concentration:5 x 10-6	RAW_FILE_NAME=Conversion MZXML20220202_B10_3j_M1_55_1_645
SUBJECT_SAMPLE_FACTORS           	-	20220202_B10_3j_M2_56_1_646	Sampling day:3 | Experimental group:l | Cobalt concentration:5 x 10-6	RAW_FILE_NAME=Conversion MZXML20220202_B10_3j_M2_56_1_646
SUBJECT_SAMPLE_FACTORS           	-	20220202_B11_3j_M1_57_1_647	Sampling day:3 | Experimental group:l | Cobalt concentration:5 x 10-6	RAW_FILE_NAME=Conversion MZXML20220202_B11_3j_M1_57_1_647
SUBJECT_SAMPLE_FACTORS           	-	20220202_B11_3j_M2_58_1_648	Sampling day:3 | Experimental group:l | Cobalt concentration:5 x 10-6	RAW_FILE_NAME=Conversion MZXML20220202_B11_3j_M2_58_1_648
SUBJECT_SAMPLE_FACTORS           	-	20220202_B12_3j_M1_59_1_649	Sampling day:3 | Experimental group:l | Cobalt concentration:5 x 10-6	RAW_FILE_NAME=Conversion MZXML20220202_B12_3j_M1_59_1_649
SUBJECT_SAMPLE_FACTORS           	-	20220202_B12_3j_M2_60_1_650	Sampling day:3 | Experimental group:l | Cobalt concentration:5 x 10-6	RAW_FILE_NAME=Conversion MZXML20220202_B12_3j_M2_60_1_650
SUBJECT_SAMPLE_FACTORS           	-	20220202_B10_7j_M1_85_1_680	Sampling day:7 | Experimental group:m | Cobalt concentration:5 x 10-6	RAW_FILE_NAME=Conversion MZXML20220202_B10_7j_M1_85_1_680
SUBJECT_SAMPLE_FACTORS           	-	20220202_B10_7j_M2_86_1_681	Sampling day:7 | Experimental group:m | Cobalt concentration:5 x 10-6	RAW_FILE_NAME=Conversion MZXML20220202_B10_7j_M2_86_1_681
SUBJECT_SAMPLE_FACTORS           	-	20220202_B11_7j_M1_87_1_682	Sampling day:7 | Experimental group:m | Cobalt concentration:5 x 10-6	RAW_FILE_NAME=Conversion MZXML20220202_B11_7j_M1_87_1_682
SUBJECT_SAMPLE_FACTORS           	-	20220202_B11_7j_M2_88_1_683	Sampling day:7 | Experimental group:m | Cobalt concentration:5 x 10-6	RAW_FILE_NAME=Conversion MZXML20220202_B11_7j_M2_88_1_683
SUBJECT_SAMPLE_FACTORS           	-	20220202_B12_7j_M1_89_1_684	Sampling day:7 | Experimental group:m | Cobalt concentration:5 x 10-6	RAW_FILE_NAME=Conversion MZXML20220202_B12_7j_M1_89_1_684
SUBJECT_SAMPLE_FACTORS           	-	20220202_B12_7j_M2_90_1_685	Sampling day:7 | Experimental group:m | Cobalt concentration:5 x 10-6	RAW_FILE_NAME=Conversion MZXML20220202_B12_7j_M2_90_1_685
SUBJECT_SAMPLE_FACTORS           	-	20220202_B13_1j_M1_31_1_617	Sampling day:1 | Experimental group:n | Cobalt concentration:1 x 10-5	RAW_FILE_NAME=Conversion MZXML20220202_B13_1j_M1_31_1_617
SUBJECT_SAMPLE_FACTORS           	-	20220202_B13_1j_M2_32_1_618	Sampling day:1 | Experimental group:n | Cobalt concentration:1 x 10-5	RAW_FILE_NAME=Conversion MZXML20220202_B13_1j_M2_32_1_618
SUBJECT_SAMPLE_FACTORS           	-	20220202_B14_1j_M1_33_1_619	Sampling day:1 | Experimental group:n | Cobalt concentration:1 x 10-5	RAW_FILE_NAME=Conversion MZXML20220202_B14_1j_M1_33_1_619
SUBJECT_SAMPLE_FACTORS           	-	20220202_B14_1j_M2_34_1_620	Sampling day:1 | Experimental group:n | Cobalt concentration:1 x 10-5	RAW_FILE_NAME=Conversion MZXML20220202_B14_1j_M2_34_1_620
SUBJECT_SAMPLE_FACTORS           	-	20220202_B15_1j_M1_35_1_621	Sampling day:1 | Experimental group:n | Cobalt concentration:1 x 10-5	RAW_FILE_NAME=Conversion MZXML20220202_B15_1j_M1_35_1_621
SUBJECT_SAMPLE_FACTORS           	-	20220202_B15_1j_M2_36_1_622	Sampling day:1 | Experimental group:n | Cobalt concentration:1 x 10-5	RAW_FILE_NAME=Conversion MZXML20220202_B15_1j_M2_36_1_622
SUBJECT_SAMPLE_FACTORS           	-	20220202_B13_3j_M1_61_1_652	Sampling day:3 | Experimental group:o | Cobalt concentration:1 x 10-5	RAW_FILE_NAME=Conversion MZXML20220202_B13_3j_M1_61_1_652
SUBJECT_SAMPLE_FACTORS           	-	20220202_B13_3j_M2_62_1_653	Sampling day:3 | Experimental group:o | Cobalt concentration:1 x 10-5	RAW_FILE_NAME=Conversion MZXML20220202_B13_3j_M2_62_1_653
SUBJECT_SAMPLE_FACTORS           	-	20220202_B14_3j_M1_63_1_654	Sampling day:3 | Experimental group:o | Cobalt concentration:1 x 10-5	RAW_FILE_NAME=Conversion MZXML20220202_B14_3j_M1_63_1_654
SUBJECT_SAMPLE_FACTORS           	-	20220202_B14_3j_M2_64_1_655	Sampling day:3 | Experimental group:o | Cobalt concentration:1 x 10-5	RAW_FILE_NAME=Conversion MZXML20220202_B14_3j_M2_64_1_655
SUBJECT_SAMPLE_FACTORS           	-	20220202_B15_3j_M1_65_1_656	Sampling day:3 | Experimental group:o | Cobalt concentration:1 x 10-5	RAW_FILE_NAME=Conversion MZXML20220202_B15_3j_M1_65_1_656
SUBJECT_SAMPLE_FACTORS           	-	20220202_B15_3j_M2_66_1_657	Sampling day:3 | Experimental group:o | Cobalt concentration:1 x 10-5	RAW_FILE_NAME=Conversion MZXML20220202_B15_3j_M2_66_1_657
SUBJECT_SAMPLE_FACTORS           	-	20220202_B13_7j_M1_91_1_687	Sampling day:7 | Experimental group:p | Cobalt concentration:1 x 10-5	RAW_FILE_NAME=Conversion MZXML20220202_B13_7j_M1_91_1_687
SUBJECT_SAMPLE_FACTORS           	-	20220202_B13_7j_M2_92_1_688	Sampling day:7 | Experimental group:p | Cobalt concentration:1 x 10-5	RAW_FILE_NAME=Conversion MZXML20220202_B13_7j_M2_92_1_688
SUBJECT_SAMPLE_FACTORS           	-	20220202_B14_7j_M1_93_1_689	Sampling day:7 | Experimental group:p | Cobalt concentration:1 x 10-5	RAW_FILE_NAME=Conversion MZXML20220202_B14_7j_M1_93_1_689
SUBJECT_SAMPLE_FACTORS           	-	20220202_B14_7j_M2_94_1_690	Sampling day:7 | Experimental group:p | Cobalt concentration:1 x 10-5	RAW_FILE_NAME=Conversion MZXML20220202_B14_7j_M2_94_1_690
SUBJECT_SAMPLE_FACTORS           	-	20220202_B15_7j_M1_95_1_691	Sampling day:7 | Experimental group:p | Cobalt concentration:1 x 10-5	RAW_FILE_NAME=Conversion MZXML20220202_B15_7j_M1_95_1_691
SUBJECT_SAMPLE_FACTORS           	-	20220202_B15_7j_M2_96_1_692	Sampling day:7 | Experimental group:p | Cobalt concentration:1 x 10-5	RAW_FILE_NAME=Conversion MZXML20220202_B15_7j_M2_96_1_692
#COLLECTION
CO:COLLECTION_SUMMARY            	Four weeks before the start of the experiment, the mature biofilms were
CO:COLLECTION_SUMMARY            	collected by natural colonisation of glass slides (5 x 10 cm).
CO:SAMPLE_TYPE                   	Microbial biofilm
#TREATMENT
TR:TREATMENT_SUMMARY             	A total of 15 microcosms were filled with 15 L of the Gave de Pau water; three
TR:TREATMENT_SUMMARY             	for each of the five exposure conditions: 2 x 10-9 M (background concentration
TR:TREATMENT_SUMMARY             	used as control), 1 x 10-7, 1 x 10-6, 5 x 10-6 and 1 x10-5 M Co. Cobalt (Cobalt
TR:TREATMENT_SUMMARY             	Standard for ICP, 1000 mg·L-1, Supelco, Germany) was added in each microcosm
TR:TREATMENT_SUMMARY             	and let equilibrating for 24 h (D-1). The microcosms were placed in one of the
TR:TREATMENT_SUMMARY             	artificial streams of the facility in order to maintain the water temperature at
TR:TREATMENT_SUMMARY             	13.5 ± 1.0°C (Table S2). After one, three and seven days of exposure (D1, D3
TR:TREATMENT_SUMMARY             	and D7), slides were collected from each microcosm for metabolomics.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Briefly, freeze-dried biofilms (1 mg) were diluted in 10 µL of cold 75%
SP:SAMPLEPREP_SUMMARY            	methanol acidified with 0.1% formic acid and sonicated on ice during 30 s, at 80
SP:SAMPLEPREP_SUMMARY            	% of the maximum intensity (SONICS Vibra Cell, Newton, CT, USA; 130 Watts, 20
SP:SAMPLEPREP_SUMMARY            	kHz). The homogenates were then centrifuged at 4°C (12,000 g: 10 min). The
SP:SAMPLEPREP_SUMMARY            	supernatants were then collected and stored in the dark at -20°C.
SP:PROCESSING_STORAGE_CONDITIONS 	-20℃
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Waters Acquity
CH:COLUMN_NAME                   	Thermo Acclaim Polar Advantage II (150 x 3mm,3um)
CH:SOLVENT_A                     	Water
CH:SOLVENT_B                     	ACN
CH:FLOW_GRADIENT                 	5-90%
CH:FLOW_RATE                     	300 microliter per minute
CH:COLUMN_TEMPERATURE            	40
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:LABORATORY_NAME               	PtSMB
#MS
MS:INSTRUMENT_NAME               	Bruker maXis Impact qTOF
MS:INSTRUMENT_TYPE               	QTOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	Metabolites were subsequently ionised and analysed using an electrospray
MS:MS_COMMENTS                   	ionization hybrid quadrupole time-of-flight high-resolution mass spectrometer
MS:MS_COMMENTS                   	(ESI-Qq-TOF Compact, Bruker) at 2 Hz speed on the 50–1500 m/z range on
MS:MS_COMMENTS                   	positive autoMS/MS mode between 2 and 8 Hz speed on the 50–1500 m/z range with
MS:MS_COMMENTS                   	information-dependent acquisition (IDA).
MS:MS_RESULTS_FILE               	ST002807_AN004564_Results.txt	UNITS:Dalton	Has m/z:Neutral masses	Has RT:Yes	RT units:Seconds
#END