#METABOLOMICS WORKBENCH TruxalCarlson_20201022_124653 DATATRACK_ID:2221 STUDY_ID:ST001514 ANALYSIS_ID:AN002508 PROJECT_ID:PR001021
VERSION             	1
CREATED_ON             	October 30, 2020, 11:03 am
#PROJECT
PR:PROJECT_TITLE                 	Community metabolomes reflect taxon-specific fingerprints of phytoplankton in
PR:PROJECT_TITLE                 	the ocean
PR:PROJECT_TYPE                  	Marine Metabolomics
PR:PROJECT_SUMMARY               	Phytoplankton transform inorganic carbon into thousands of biomolecules,
PR:PROJECT_SUMMARY               	including polar metabolites that represent an important pool of labile fixed
PR:PROJECT_SUMMARY               	carbon, nitrogen, and sulfur. Metabolite production is not identical among
PR:PROJECT_SUMMARY               	phytoplankton, and the flux of these molecules through the microbial loop
PR:PROJECT_SUMMARY               	depends on compound-specific bioavailability to a wider microbial community. Yet
PR:PROJECT_SUMMARY               	relatively little is known about the diversity or concentration of polar
PR:PROJECT_SUMMARY               	metabolites within marine plankton. Here we evaluate 313 metabolites in 21
PR:PROJECT_SUMMARY               	phytoplankton species and in natural marine particles across environmental
PR:PROJECT_SUMMARY               	gradients to show that bulk community metabolomes reflect the phytoplankton
PR:PROJECT_SUMMARY               	community on a chemical level.
PR:INSTITUTE                     	University of Washington
PR:DEPARTMENT                    	Oceanography
PR:LABORATORY                    	Ingalls Lab
PR:LAST_NAME                     	Heal
PR:FIRST_NAME                    	Katherine
PR:ADDRESS                       	1501 NE Boat Street, Marine Science Building, Room G, Seattle, WA, 98195, USA
PR:EMAIL                         	kheal@uw.edu
PR:PHONE                         	612-616-4840
#STUDY
ST:STUDY_TITLE                   	Community metabolomes reflect taxon-specific fingerprints of phytoplankton in
ST:STUDY_TITLE                   	the ocean
ST:STUDY_TYPE                    	Metabolomic survey of 21 phytoplankton species
ST:STUDY_SUMMARY                 	Phytoplankton transform inorganic carbon into thousands of biomolecules,
ST:STUDY_SUMMARY                 	including polar metabolites that represent an important pool of labile fixed
ST:STUDY_SUMMARY                 	carbon, nitrogen, and sulfur. Metabolite production is not identical among
ST:STUDY_SUMMARY                 	phytoplankton, and the flux of these molecules through the microbial loop
ST:STUDY_SUMMARY                 	depends on compound-specific bioavailability to a wider microbial community. Yet
ST:STUDY_SUMMARY                 	relatively little is known about the diversity or concentration of polar
ST:STUDY_SUMMARY                 	metabolites within marine plankton. Here we evaluate 313 metabolites in 21
ST:STUDY_SUMMARY                 	phytoplankton species and in natural marine particles across environmental
ST:STUDY_SUMMARY                 	gradients to show that bulk community metabolomes reflect the phytoplankton
ST:STUDY_SUMMARY                 	community on a chemical level.
ST:INSTITUTE                     	University of Washington
ST:DEPARTMENT                    	Oceanography
ST:LABORATORY                    	Ingalls Lab
ST:LAST_NAME                     	Heal
ST:FIRST_NAME                    	Katherine
ST:ADDRESS                       	1501 NE Boat Street, Marine Science Building, Room G, Seattle, WA, 98195, USA
ST:EMAIL                         	kheal@uw.edu
ST:PHONE                         	612-616-4840
#SUBJECT
SU:SUBJECT_TYPE                  	Other
SU:SUBJECT_SPECIES               	Marine Plankton
SU:GENDER                        	Not applicable
#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           	-	Nmar_1	Species:Nitrosopumilus maritimus | Strain:SCM1 | Broad taxon:Archaea	Biovolume filtered_uL=0.11362; nmol C filtered=4116.666667; Short ID=Nmar; RAW_FILE_NAME=180130_Exp_1 180130_Smp_Exp_1 180131_Smp_Exp_1
SUBJECT_SAMPLE_FACTORS           	-	Nmar_2	Species:Nitrosopumilus maritimus | Strain:SCM1 | Broad taxon:Archaea	Biovolume filtered_uL=0.10396; nmol C filtered=3766.666667; Short ID=Nmar; RAW_FILE_NAME=180130_Exp_2 180130_Smp_Exp_2 180131_Smp_Exp_2
SUBJECT_SAMPLE_FACTORS           	-	Nmar_3	Species:Nitrosopumilus maritimus | Strain:SCM1 | Broad taxon:Archaea	Biovolume filtered_uL=0.09982; nmol C filtered=3616.666667; Short ID=Nmar; RAW_FILE_NAME=180130_Exp_3 180130_Smp_Exp_3 180131_Smp_Exp_3
SUBJECT_SAMPLE_FACTORS           	-	8501_B	Species:Crocosphaera watsonii | Strain:8501 | Broad taxon:Cyanobacteria	Biovolume filtered_uL=3.711258; nmol C filtered=15773; Short ID=8501; RAW_FILE_NAME=161114_Smp_8501_B 161114_Smp_8501_B 161118_Smp_8501_B
SUBJECT_SAMPLE_FACTORS           	-	8501_C	Species:Crocosphaera watsonii | Strain:8501 | Broad taxon:Cyanobacteria	Biovolume filtered_uL=5.351031818; nmol C filtered=22742; Short ID=8501; RAW_FILE_NAME=161114_Smp_8501_C 161114_Smp_8501_C 161118_Smp_8501_C
SUBJECT_SAMPLE_FACTORS           	-	8501_D	Species:Crocosphaera watsonii | Strain:8501 | Broad taxon:Cyanobacteria	Biovolume filtered_uL=3.515528571; nmol C filtered=14941; Short ID=8501; RAW_FILE_NAME=161114_Smp_8501.D 161114_Smp_8501.D 161118_Smp_8501_D
SUBJECT_SAMPLE_FACTORS           	-	1314P_A	Species:Prochlorococcus marinus | Strain:1314 | Broad taxon:Cyanobacteria	Biovolume filtered_uL=0.3185; nmol C filtered=5898.2295; Short ID=1314P; RAW_FILE_NAME=170821_Smp_1314P_A 170821_Smp_1314P_A 170828_Smp_1314P_A
SUBJECT_SAMPLE_FACTORS           	-	1314P_B	Species:Prochlorococcus marinus | Strain:1314 | Broad taxon:Cyanobacteria	Biovolume filtered_uL=0.34858; nmol C filtered=6455.239233; Short ID=1314P; RAW_FILE_NAME=170821_Smp_1314P_B 170821_Smp_1314P_B 170828_Smp_1314P_B
SUBJECT_SAMPLE_FACTORS           	-	1314P_C	Species:Prochlorococcus marinus | Strain:1314 | Broad taxon:Cyanobacteria	Biovolume filtered_uL=0.31701; nmol C filtered=5870.54047; Short ID=1314P; RAW_FILE_NAME=170821_Smp_1314P_C 170821_Smp_1314P_C 170828_Smp_1314P_C
SUBJECT_SAMPLE_FACTORS           	-	As9601_A	Species:Prochlorococcus marinus | Strain:AS9601 | Broad taxon:Cyanobacteria	Biovolume filtered_uL=0.452556309; nmol C filtered=10475.84048; Short ID=As9601; RAW_FILE_NAME=170821_Smp_As9601_A 170821_Smp_As9601_A 170828_Smp_As9601_A
SUBJECT_SAMPLE_FACTORS           	-	As9601_B	Species:Prochlorococcus marinus | Strain:AS9601 | Broad taxon:Cyanobacteria	Biovolume filtered_uL=0.487486222; nmol C filtered=11284.40329; Short ID=As9601; RAW_FILE_NAME=170821_Smp_As9601_B 170821_Smp_As9601_B 170828_Smp_As9601_B
SUBJECT_SAMPLE_FACTORS           	-	As9601_C	Species:Prochlorococcus marinus | Strain:AS9601 | Broad taxon:Cyanobacteria	Biovolume filtered_uL=0.467084563; nmol C filtered=10812.14267; Short ID=As9601; RAW_FILE_NAME=170821_Smp_As9601_C 170821_Smp_As9601_C 170828_Smp_As9601_C
SUBJECT_SAMPLE_FACTORS           	-	MED4_D	Species:Prochlorococcus marinus | Strain:MED4 | Broad taxon:Cyanobacteria	Biovolume filtered_uL=0.390883343; nmol C filtered=5428.935323; Short ID=MED4; RAW_FILE_NAME=161114_Smp_MED4.D 161114_Smp_MED4.D 161118_Smp_MED4_D
SUBJECT_SAMPLE_FACTORS           	-	MED4_E	Species:Prochlorococcus marinus | Strain:MED4 | Broad taxon:Cyanobacteria	Biovolume filtered_uL=0.346499459; nmol C filtered=4812.492493; Short ID=MED4; RAW_FILE_NAME=161114_Smp_MED4_E 161114_Smp_MED4_E 161118_Smp_MED4_E
SUBJECT_SAMPLE_FACTORS           	-	MED4_F	Species:Prochlorococcus marinus | Strain:MED4 | Broad taxon:Cyanobacteria	Biovolume filtered_uL=0.395070736; nmol C filtered=5487.093558; Short ID=MED4; RAW_FILE_NAME=161114_Smp_MED4_F 161114_Smp_MED4_F 161118_Smp_MED4_F
SUBJECT_SAMPLE_FACTORS           	-	Nat_A	Species:Prochlorococcus marinus | Strain:NATL2A | Broad taxon:Cyanobacteria	Biovolume filtered_uL=0.062888292; nmol C filtered=1886.648745; Short ID=Nat; RAW_FILE_NAME=170821_Smp_Nat_A 170821_Smp_Nat_A 170828_Smp_Nat_A
SUBJECT_SAMPLE_FACTORS           	-	Nat_B	Species:Prochlorococcus marinus | Strain:NATL2A | Broad taxon:Cyanobacteria	Biovolume filtered_uL=0.054405; nmol C filtered=1632.15; Short ID=Nat; RAW_FILE_NAME=170821_Smp_Nat_B 170821_Smp_Nat_B 170828_Smp_Nat_B
SUBJECT_SAMPLE_FACTORS           	-	Nat_C	Species:Prochlorococcus marinus | Strain:NATL2A | Broad taxon:Cyanobacteria	Biovolume filtered_uL=0.054925488; nmol C filtered=1647.764655; Short ID=Nat; RAW_FILE_NAME=170821_Smp_Nat_C 170821_Smp_Nat_C 170828_Smp_Nat_C
SUBJECT_SAMPLE_FACTORS           	-	7803_B	Species:Synechococcus sp. | Strain:7803 | Broad taxon:Cyanobacteria	Biovolume filtered_uL=2.20472; nmol C filtered=33039.88864; Short ID=7803; RAW_FILE_NAME=161114_Smp_7803_B 161114_Smp_7803_B 161118_Smp_7803_B
SUBJECT_SAMPLE_FACTORS           	-	7803_F	Species:Synechococcus sp. | Strain:7803 | Broad taxon:Cyanobacteria	Biovolume filtered_uL=2.18928; nmol C filtered=35225.87859; Short ID=7803; RAW_FILE_NAME=161114_Smp_7803_F 161114_Smp_7803_F 161118_Smp_7803_F
SUBJECT_SAMPLE_FACTORS           	-	8102_A	Species:Synechococcus sp. | Strain:8102 | Broad taxon:Cyanobacteria	Biovolume filtered_uL=0.708; nmol C filtered=47768.85007; Short ID=8102; RAW_FILE_NAME=161114_Smp_8102_A 161114_Smp_8102_A 161118_Smp_8102_A
SUBJECT_SAMPLE_FACTORS           	-	8102_F	Species:Synechococcus sp. | Strain:8102 | Broad taxon:Cyanobacteria	Biovolume filtered_uL=0.75484; nmol C filtered=47434.36605; Short ID=8102; RAW_FILE_NAME=161114_Smp_8102_F 161114_Smp_8102_F 161118_Smp_8102_F
SUBJECT_SAMPLE_FACTORS           	-	Cy_A	Species:Cyclotella meneghiniana | Strain:338 | Broad taxon:Diatom	Biovolume filtered_uL=7.0207956; nmol C filtered=66158.68808; Short ID=Cy; RAW_FILE_NAME=161107_Smp_Cy_A 161107_Smp_Cy_A 161110_Smp_Cy_A
SUBJECT_SAMPLE_FACTORS           	-	Cy_B	Species:Cyclotella meneghiniana | Strain:338 | Broad taxon:Diatom	Biovolume filtered_uL=2.285525455; nmol C filtered=21537.06991; Short ID=Cy; RAW_FILE_NAME=161107_Smp_Cy_B 161107_Smp_Cy_B 161110_Smp_Cy_B
SUBJECT_SAMPLE_FACTORS           	-	Cy_C	Species:Cyclotella meneghiniana | Strain:338 | Broad taxon:Diatom	Biovolume filtered_uL=4.9629762; nmol C filtered=46767.34847; Short ID=Cy; RAW_FILE_NAME=161107_Smp_Cy_C 161107_Smp_Cy_C 161110_Smp_Cy_C
SUBJECT_SAMPLE_FACTORS           	-	Np_A	Species:Navicula pelliculosa | Strain:543 | Broad taxon:Diatom	Biovolume filtered_uL=4.429566; nmol C filtered=50707.78032; Short ID=Np; RAW_FILE_NAME=170213_Smp_Np_A 170213_Smp_Np_A 170216_Smp_Np_A
SUBJECT_SAMPLE_FACTORS           	-	Np_C	Species:Navicula pelliculosa | Strain:543 | Broad taxon:Diatom	Biovolume filtered_uL=5.07693; nmol C filtered=58118.52699; Short ID=Np; RAW_FILE_NAME=170213_Smp_Np_C 170213_Smp_Np_C 170216_Smp_Np_C
SUBJECT_SAMPLE_FACTORS           	-	Np_F	Species:Navicula pelliculosa | Strain:543 | Broad taxon:Diatom	Biovolume filtered_uL=5.69769; nmol C filtered=65224.72243; Short ID=Np; RAW_FILE_NAME=170213_Smp_Np_F 170213_Smp_Np_F 170216_Smp_Np_F
SUBJECT_SAMPLE_FACTORS           	-	Pt_C	Species:Phaeodactylum tricornutum | Strain:2561 | Broad taxon:Diatom	Biovolume filtered_uL=52.49856; nmol C filtered=405673.6567; Short ID=Pt; RAW_FILE_NAME=170213_Smp_Pt_C 170213_Smp_Pt_C 170216_Smp_Pt_C
SUBJECT_SAMPLE_FACTORS           	-	Pt_F	Species:Phaeodactylum tricornutum | Strain:2561 | Broad taxon:Diatom	Biovolume filtered_uL=55.51368; nmol C filtered=428972.4816; Short ID=Pt; RAW_FILE_NAME=170213_Smp_Pt_F 170213_Smp_Pt_F 170216_Smp_Pt_F
SUBJECT_SAMPLE_FACTORS           	-	Pc55x_A	Species:Pseudo-nitzschia pungens | Strain:Pc55x | Broad taxon:Diatom	Biovolume filtered_uL=3.980689655; nmol C filtered=23670.0076; Short ID=Pc55x; RAW_FILE_NAME=170213_Smp_Pc55x_A 170213_Smp_Pc55x_A 170216_Smp_Pc55x_A
SUBJECT_SAMPLE_FACTORS           	-	Pc55x_B	Species:Pseudo-nitzschia pungens | Strain:Pc55x | Broad taxon:Diatom	Biovolume filtered_uL=4.154482759; nmol C filtered=24703.4175; Short ID=Pc55x; RAW_FILE_NAME=170213_Smp_Pc55x_B 170213_Smp_Pc55x_B 170216_Smp_Pc55x_B
SUBJECT_SAMPLE_FACTORS           	-	Pc55x_C	Species:Pseudo-nitzschia pungens | Strain:Pc55x | Broad taxon:Diatom	Biovolume filtered_uL=2.532631579; nmol C filtered=15059.55348; Short ID=Pc55x; RAW_FILE_NAME=170213_Smp_Pc55x_C 170213_Smp_Pc55x_C 170216_Smp_Pc55x_C
SUBJECT_SAMPLE_FACTORS           	-	To_A	Species:Thalassiosira oceanica | Strain:1005 | Broad taxon:Diatom	Biovolume filtered_uL=10.10952; nmol C filtered=94030.34765; Short ID=To; RAW_FILE_NAME=161107_Smp_To_A 161107_Smp_To_A 161110_Smp_To_A
SUBJECT_SAMPLE_FACTORS           	-	To_B	Species:Thalassiosira oceanica | Strain:1005 | Broad taxon:Diatom	Biovolume filtered_uL=13.26875; nmol C filtered=123414.8313; Short ID=To; RAW_FILE_NAME=161107_Smp_To_B 161107_Smp_To_B 161110_Smp_To_B
SUBJECT_SAMPLE_FACTORS           	-	To_C	Species:Thalassiosira oceanica | Strain:1005 | Broad taxon:Diatom	Biovolume filtered_uL=12.20459; nmol C filtered=113516.9; Short ID=To; RAW_FILE_NAME=161107_Smp_To_C 161107_Smp_To_C 161110_Smp_To_C
SUBJECT_SAMPLE_FACTORS           	-	Tp_A	Species:Thalassiosira pseudonana | Strain:1335 | Broad taxon:Diatom	Biovolume filtered_uL=4.40222; nmol C filtered=133534.0977; Short ID=Tp; RAW_FILE_NAME=161107_Smp_Tp_A 161107_Smp_Tp_A 161110_Smp_Tp_A
SUBJECT_SAMPLE_FACTORS           	-	Tp_E	Species:Thalassiosira pseudonana | Strain:1335 | Broad taxon:Diatom	Biovolume filtered_uL=3.13927; nmol C filtered=95224.584; Short ID=Tp; RAW_FILE_NAME=161107_Smp_Tp_E 161107_Smp_Tp_E 161110_Smp_Tp_E
SUBJECT_SAMPLE_FACTORS           	-	Tp_F	Species:Thalassiosira pseudonana | Strain:1335 | Broad taxon:Diatom	Biovolume filtered_uL=6.36368; nmol C filtered=193031.5296; Short ID=Tp; RAW_FILE_NAME=161107_Smp_Tp_F 161107_Smp_Tp_F 161110_Smp_Tp_F
SUBJECT_SAMPLE_FACTORS           	-	1771_A	Species:Alexandrium tamarense | Strain:1771 | Broad taxon:Dinoflagellate	Biovolume filtered_uL=0.45029728; nmol C filtered=4416.314582; Short ID=1771; RAW_FILE_NAME=170821_Smp_1771_A 170821_Smp_1771_A 170828_Smp_1771_A
SUBJECT_SAMPLE_FACTORS           	-	1771_B	Species:Alexandrium tamarense | Strain:1771 | Broad taxon:Dinoflagellate	Biovolume filtered_uL=0.39780864; nmol C filtered=3901.529447; Short ID=1771; RAW_FILE_NAME=170821_Smp_1771_B 170821_Smp_1771_B 170828_Smp_1771_B
SUBJECT_SAMPLE_FACTORS           	-	1771_C	Species:Alexandrium tamarense | Strain:1771 | Broad taxon:Dinoflagellate	Biovolume filtered_uL=0.23205504; nmol C filtered=2275.892177; Short ID=1771; RAW_FILE_NAME=170821_Smp_1771_C 170821_Smp_1771_C 170828_Smp_1771_C
SUBJECT_SAMPLE_FACTORS           	-	1314_A	Species:Amphidinium carterae | Strain:1314 | Broad taxon:Dinoflagellate	Biovolume filtered_uL=0.56953488; nmol C filtered=8754.975631; Short ID=1314; RAW_FILE_NAME=170821_Smp_1314_A 170821_Smp_1314_A 170828_Smp_1314_A
SUBJECT_SAMPLE_FACTORS           	-	1314_B	Species:Amphidinium carterae | Strain:1314 | Broad taxon:Dinoflagellate	Biovolume filtered_uL=0.5827728; nmol C filtered=8958.470924; Short ID=1314; RAW_FILE_NAME=170821_Smp_1314_B 170821_Smp_1314_B 170828_Smp_1314_B
SUBJECT_SAMPLE_FACTORS           	-	1314_C	Species:Amphidinium carterae | Strain:1314 | Broad taxon:Dinoflagellate	Biovolume filtered_uL=0.66859104; nmol C filtered=10277.68179; Short ID=1314; RAW_FILE_NAME=170821_Smp_1314_C 170821_Smp_1314_C 170828_Smp_1314_C
SUBJECT_SAMPLE_FACTORS           	-	449_A	Species:Heterocapsa triquetra | Strain:449 | Broad taxon:Dinoflagellate	Biovolume filtered_uL=0.33903; nmol C filtered=4462.579749; Short ID=449; RAW_FILE_NAME=170821_Smp_449_A 170821_Smp_449_A 170828_Smp_449_A
SUBJECT_SAMPLE_FACTORS           	-	449_B	Species:Heterocapsa triquetra | Strain:449 | Broad taxon:Dinoflagellate	Biovolume filtered_uL=0.48124; nmol C filtered=6334.523314; Short ID=449; RAW_FILE_NAME=170821_Smp_449_B 170821_Smp_449_B 170828_Smp_449_B
SUBJECT_SAMPLE_FACTORS           	-	449_C	Species:Heterocapsa triquetra | Strain:449 | Broad taxon:Dinoflagellate	Biovolume filtered_uL=0.55139; nmol C filtered=7257.95976; Short ID=449; RAW_FILE_NAME=170821_Smp_449_C 170821_Smp_449_C 170828_Smp_449_C
SUBJECT_SAMPLE_FACTORS           	-	2021_A	Species:Lingulodinium polyedra | Strain:2021 | Broad taxon:Dinoflagellate	Biovolume filtered_uL=2.75917726; nmol C filtered=26427.31696; Short ID=2021; RAW_FILE_NAME=170821_Smp_2021_A 170821_Smp_2021_A 170828_Smp_2021_A
SUBJECT_SAMPLE_FACTORS           	-	2021_B	Species:Lingulodinium polyedra | Strain:2021 | Broad taxon:Dinoflagellate	Biovolume filtered_uL=5.11555492; nmol C filtered=48996.63145; Short ID=2021; RAW_FILE_NAME=170821_Smp_2021_B 170821_Smp_2021_B 170828_Smp_2021_B
SUBJECT_SAMPLE_FACTORS           	-	2021_C	Species:Lingulodinium polyedra | Strain:2021 | Broad taxon:Dinoflagellate	Biovolume filtered_uL=1.53228256; nmol C filtered=14676.15636; Short ID=2021; RAW_FILE_NAME=170821_Smp_2021_C 170821_Smp_2021_C 170828_Smp_2021_C
SUBJECT_SAMPLE_FACTORS           	-	2090_A	Species:Emiliania huxleyi | Strain:2090 | Broad taxon:Haptophyte	Biovolume filtered_uL=0.29131; nmol C filtered=3813.921528; Short ID=2090; RAW_FILE_NAME=161107_Smp_2090_A 161107_Smp_2090_A 161110_Smp_2090_A
SUBJECT_SAMPLE_FACTORS           	-	2090_B	Species:Emiliania huxleyi | Strain:2090 | Broad taxon:Haptophyte	Biovolume filtered_uL=0.33255; nmol C filtered=4353.791699; Short ID=2090; RAW_FILE_NAME=161107_Smp_2090_B 161107_Smp_2090_B 161110_Smp_2090_B
SUBJECT_SAMPLE_FACTORS           	-	2090_C	Species:Emiliania huxleyi | Strain:2090 | Broad taxon:Haptophyte	Biovolume filtered_uL=0.381324; nmol C filtered=4992.347815; Short ID=2090; RAW_FILE_NAME=161107_Smp_2090_C 161107_Smp_2090_C 161110_Smp_2090_C
SUBJECT_SAMPLE_FACTORS           	-	371_A	Species:Emiliania huxleyi | Strain:371 | Broad taxon:Haptophyte	Biovolume filtered_uL=0.365805; nmol C filtered=4789.170869; Short ID=371; RAW_FILE_NAME=161107_Smp_371_A 161107_Smp_371_A 161110_Smp_371_A
SUBJECT_SAMPLE_FACTORS           	-	371_B	Species:Emiliania huxleyi | Strain:371 | Broad taxon:Haptophyte	Biovolume filtered_uL=0.380920909; nmol C filtered=4987.070491; Short ID=371; RAW_FILE_NAME=161107_Smp_371_B 161107_Smp_371_B 161110_Smp_371_B
SUBJECT_SAMPLE_FACTORS           	-	371_C	Species:Emiliania huxleyi | Strain:371 | Broad taxon:Haptophyte	Biovolume filtered_uL=0.294256364; nmol C filtered=3852.445988; Short ID=371; RAW_FILE_NAME=161107_Smp_371_C 161107_Smp_371_C 161110_Smp_371_C
SUBJECT_SAMPLE_FACTORS           	-	1545_A	Species:Micromonas pusilla | Strain:1545 | Broad taxon:Prasinophyte	Biovolume filtered_uL=0.557926221; nmol C filtered=65905.03488; Short ID=1545; RAW_FILE_NAME=170821_Smp_1545_A 170821_Smp_1545_A 170828_Smp_1545_A
SUBJECT_SAMPLE_FACTORS           	-	1545_B	Species:Micromonas pusilla | Strain:1545 | Broad taxon:Prasinophyte	Biovolume filtered_uL=0.571037924; nmol C filtered=67453.85477; Short ID=1545; RAW_FILE_NAME=170821_Smp_1545_B 170821_Smp_1545_B 170828_Smp_1545_B
SUBJECT_SAMPLE_FACTORS           	-	1545_C	Species:Micromonas pusilla | Strain:1545 | Broad taxon:Prasinophyte	Biovolume filtered_uL=0.536432713; nmol C filtered=63366.11429; Short ID=1545; RAW_FILE_NAME=170821_Smp_1545_C 170821_Smp_1545_C 170828_Smp_1545_C
SUBJECT_SAMPLE_FACTORS           	-	3430_A	Species:Ostreococcus lucimarinus | Strain:3430 | Broad taxon:Prasinophyte	Biovolume filtered_uL=0.169351485; nmol C filtered=33870; Short ID=3430; RAW_FILE_NAME=180227_Smp_3430_A 180227_Smp_3430_A 180302_Smp_3430_A
SUBJECT_SAMPLE_FACTORS           	-	3430_B	Species:Ostreococcus lucimarinus | Strain:3430 | Broad taxon:Prasinophyte	Biovolume filtered_uL=0.172402985; nmol C filtered=34481; Short ID=3430; RAW_FILE_NAME=180227_Smp_3430_B 180227_Smp_3430_B 180302_Smp_3430_B
SUBJECT_SAMPLE_FACTORS           	-	3430_C	Species:Ostreococcus lucimarinus | Strain:3430 | Broad taxon:Prasinophyte	Biovolume filtered_uL=0.175519802; nmol C filtered=35104; Short ID=3430; RAW_FILE_NAME=180227_Smp_3430_C 180227_Smp_3430_C 180302_Smp_3430_C
#COLLECTION
CO:COLLECTION_SUMMARY            	Axenic phytoplankton were cultured in controlled laboratory settings and
CO:COLLECTION_SUMMARY            	harvested under exponential growth using a gentle vacuum filtration onto 47 mm
CO:COLLECTION_SUMMARY            	Durapore filters (pore size 0.2 µm). Samples were flash frozen in liquid N2 and
CO:COLLECTION_SUMMARY            	stored at -80°C until extraction for metabolites.
CO:SAMPLE_TYPE                   	Cultured plankton cells
CO:STORAGE_CONDITIONS            	Described in summary
#TREATMENT
TR:TREATMENT_SUMMARY             	Media, light, and temperature were chosen for optimal growth of each
TR:TREATMENT_SUMMARY             	phytoplankton species. In short, axenic phytoplankton were cultured in
TR:TREATMENT_SUMMARY             	controlled laboratory settings and harvested under exponential growth using a
TR:TREATMENT_SUMMARY             	gentle vacuum filtration onto 47 mm Durapore filters (pore size 0.2 µm).
TR:TREATMENT_SUMMARY             	Samples were flash frozen in liquid N2 and stored at -80°C until extraction. In
TR:TREATMENT_SUMMARY             	addition to samples, media blanks corresponding to each media type were
TR:TREATMENT_SUMMARY             	harvested and served as a matrix blank to each corresponding phytoplankton
TR:TREATMENT_SUMMARY             	sample.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Each sample was extracted using a modified Bligh-Dyer extraction. Briefly,
SP:SAMPLEPREP_SUMMARY            	filters were cut up and put into 15 mL teflon centrifuge tubes containing a
SP:SAMPLEPREP_SUMMARY            	mixture of 100 µm and 400 µm silica beads. Heavy isotope-labeled internal
SP:SAMPLEPREP_SUMMARY            	standards were added along with ~2 mL of cold aqueous solvent (50:50
SP:SAMPLEPREP_SUMMARY            	methanol:water) and ~3 mL of cold organic solvent (dichloromethane). The samples
SP:SAMPLEPREP_SUMMARY            	were shaken on a FastPrep-24 Homogenizer for 30 seconds and chilled in a -20°C
SP:SAMPLEPREP_SUMMARY            	freezer repeatedly for three cycles of bead-beating and a total of 30 minutes of
SP:SAMPLEPREP_SUMMARY            	chilling. The organic and aqueous layers were separated by spinning samples in a
SP:SAMPLEPREP_SUMMARY            	centrifuge at 4,300 rpm for 2 minutes at 4°C. The aqueous layer was removed to
SP:SAMPLEPREP_SUMMARY            	a new glass centrifuge tube. The remaining organic fraction was rinsed three
SP:SAMPLEPREP_SUMMARY            	more times with additions of 1 to 2 mL of cold 50:50 methanol:water. All aqueous
SP:SAMPLEPREP_SUMMARY            	rinses were combined for each sample and ~2mL of cold dichloromethane was added
SP:SAMPLEPREP_SUMMARY            	to the combined aqueous layer. Tubes were shaken and centrifuged at 4,300 rpm
SP:SAMPLEPREP_SUMMARY            	for 2 minutes at 4°C. The aqueous layer was removed to a new glass vial and
SP:SAMPLEPREP_SUMMARY            	dried under N2 gas. The remaining organic layer in the bead beating tubes was
SP:SAMPLEPREP_SUMMARY            	transferred into the glass centrifuge tube and the bead beating tube was rinsed
SP:SAMPLEPREP_SUMMARY            	two more times with cold organic solvent. The combined organic rinses were
SP:SAMPLEPREP_SUMMARY            	centrifuged, transferred to a new glass vial, and dried under N2 gas. Dried
SP:SAMPLEPREP_SUMMARY            	aqueous fractions were re-dissolved in 380 µL of water. Dried organic fractions
SP:SAMPLEPREP_SUMMARY            	were re-dissolved in 380 µL of 1:1 water:acetonitrile. 20 µL of
SP:SAMPLEPREP_SUMMARY            	isotope-labeled injection standards in water were added to both fractions. Media
SP:SAMPLEPREP_SUMMARY            	blanks were extracted alongside samples as methodological blanks.
SP:PROCESSING_STORAGE_CONDITIONS 	On ice
SP:EXTRACTION_METHOD             	Bligh-Dyer
SP:EXTRACT_STORAGE               	-80℃
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	See attached summary.
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Waters Acquity I-Class
CH:COLUMN_NAME                   	Waters Acquity UPLC HSS Cyano (100 x 2.1mm, 1.8um)
CH:METHODS_FILENAME              	Ingalls_Lab_LC_Methods.txt
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:ANALYSIS_PROTOCOL_FILE        	Ingalls_Lab_MS_Methods.txt
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive HF hybrid Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	See attached protocol.
MS:MS_RESULTS_FILE               	ST001514_AN002508_Results.txt	UNITS:Adjusted and normalized peak areas		Has m/z:Yes	Has RT:Yes	RT units:Seconds
#END