#METABOLOMICS WORKBENCH vbrisson_20210823_092307 DATATRACK_ID:2811 STUDY_ID:ST001912 ANALYSIS_ID:AN003109
VERSION                          	1
CREATED_ON                       	02-08-2024
#PROJECT
PR:PROJECT_TITLE                 	LLNL Biofuels SFA
PR:PROJECT_SUMMARY               	The LLNL Biofuels SFA brings a systems biology approach to understanding
PR:PROJECT_SUMMARY               	interactions and resource allocation in bioenergy-relevant microbial
PR:PROJECT_SUMMARY               	communities.
PR:INSTITUTE                     	Lawrence Berkeley National Laboratory
PR:LAST_NAME                     	Brisson
PR:FIRST_NAME                    	Vanessa
PR:ADDRESS                       	7000 East Ave, Livermore, CA, 94550, USA
PR:EMAIL                         	vlbrisson@lbl.gov
PR:PHONE                         	510-717-7560
PR:FUNDING_SOURCE                	DOE
PR:DOI                           	http://dx.doi.org/10.21228/M8TD6R
#STUDY
ST:STUDY_TITLE                   	Identification of effector metabolites using exometabolite profiling of diverse
ST:STUDY_TITLE                   	microalgae
ST:STUDY_SUMMARY                 	We conducted an untargeted metabolomic analysis of non-polar exometabolites from
ST:STUDY_SUMMARY                 	four phylogenetically and ecologically diverse eukaryotic microalgal strains
ST:STUDY_SUMMARY                 	grown in the laboratory: freshwater Chlamydomonas reinhardtii, brackish
ST:STUDY_SUMMARY                 	Desmodesmus sp., marine Phaeodactylum tricornutum, and marine Microchloropsis
ST:STUDY_SUMMARY                 	salina. We analyzed both exometabolomes and cell pellet metabolomes to identify
ST:STUDY_SUMMARY                 	released metabolites based on relative enrichment in the exometabolomes.
ST:INSTITUTE                     	Lawrence Berkeley National Laboratory
ST:LAST_NAME                     	Brisson
ST:FIRST_NAME                    	Vanessa
ST:ADDRESS                       	7000 East Ave, Livermore, CA, 94550, USA
ST:EMAIL                         	brisson2@llnl.gov
ST:PHONE                         	5107177560
ST:SUBMIT_DATE                   	2021-08-23
#SUBJECT
SU:SUBJECT_TYPE                  	Algae
SU:SUBJECT_SPECIES               	Chlamydomonas reinhardtii;Desmodesmus sp.;Phaeodactylum
SU:SUBJECT_SPECIES               	tricornutum;Microchloropsis salina
SU:TAXONOMY_ID                   	3055;91202;2950;2511165
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	76_E-FW-Cr-Inc_1	Type:E - exometabolome | Medium:FW - freshwater | Algal strain or abiotic control condition:Cr - Chlamydomonas reinhardtii | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_76_E-FW-Cr-Inc_1__59.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_76_E-FW-Cr-Inc_1__58.mzML
SUBJECT_SAMPLE_FACTORS           	-	77_E-FW-Cr-Inc_2	Type:E - exometabolome | Medium:FW - freshwater | Algal strain or abiotic control condition:Cr - Chlamydomonas reinhardtii | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_77_E-FW-Cr-Inc_2__152.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_77_E-FW-Cr-Inc_2__151.mzML
SUBJECT_SAMPLE_FACTORS           	-	78_E-FW-Cr-Inc_3	Type:E - exometabolome | Medium:FW - freshwater | Algal strain or abiotic control condition:Cr - Chlamydomonas reinhardtii | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_78_E-FW-Cr-Inc_3__50.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_78_E-FW-Cr-Inc_3__49.mzML
SUBJECT_SAMPLE_FACTORS           	-	79_E-FW-Cr-Inc_4	Type:E - exometabolome | Medium:FW - freshwater | Algal strain or abiotic control condition:Cr - Chlamydomonas reinhardtii | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_79_E-FW-Cr-Inc_4__284.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_79_E-FW-Cr-Inc_4__283.mzML
SUBJECT_SAMPLE_FACTORS           	-	80_E-FW-Cr-Inc_5	Type:E - exometabolome | Medium:FW - freshwater | Algal strain or abiotic control condition:Cr - Chlamydomonas reinhardtii | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_80_E-FW-Cr-Inc_5__20.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_80_E-FW-Cr-Inc_5__19.mzML
SUBJECT_SAMPLE_FACTORS           	-	86_E-FW-DF-Inc_1	Type:E - exometabolome | Medium:FW - freshwater | Algal strain or abiotic control condition:DF - Desmodesmus sp. | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_86_E-FW-DF-Inc_1__143.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_86_E-FW-DF-Inc_1__142.mzML
SUBJECT_SAMPLE_FACTORS           	-	87_E-FW-DF-Inc_2	Type:E - exometabolome | Medium:FW - freshwater | Algal strain or abiotic control condition:DF - Desmodesmus sp. | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_87_E-FW-DF-Inc_2__26.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_87_E-FW-DF-Inc_2__25.mzML
SUBJECT_SAMPLE_FACTORS           	-	88_E-FW-DF-Inc_3	Type:E - exometabolome | Medium:FW - freshwater | Algal strain or abiotic control condition:DF - Desmodesmus sp. | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_88_E-FW-DF-Inc_3__269.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_88_E-FW-DF-Inc_3__268.mzML
SUBJECT_SAMPLE_FACTORS           	-	89_E-FW-DF-Inc_4	Type:E - exometabolome | Medium:FW - freshwater | Algal strain or abiotic control condition:DF - Desmodesmus sp. | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_89_E-FW-DF-Inc_4__53.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_89_E-FW-DF-Inc_4__52.mzML
SUBJECT_SAMPLE_FACTORS           	-	90_E-FW-DF-Inc_5	Type:E - exometabolome | Medium:FW - freshwater | Algal strain or abiotic control condition:DF - Desmodesmus sp. | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_90_E-FW-DF-Inc_5__17.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_90_E-FW-DF-Inc_5__16.mzML
SUBJECT_SAMPLE_FACTORS           	-	66_E-FW-TxCtrl-Inc_1	Type:E - exometabolome | Medium:FW - freshwater | Algal strain or abiotic control condition:TxCtrl - treatment control | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_66_E-FW-TxCtrl-Inc_1__125.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_66_E-FW-TxCtrl-Inc_1__124.mzML
SUBJECT_SAMPLE_FACTORS           	-	67_E-FW-TxCtrl-Inc_2	Type:E - exometabolome | Medium:FW - freshwater | Algal strain or abiotic control condition:TxCtrl - treatment control | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_67_E-FW-TxCtrl-Inc_2__215.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_67_E-FW-TxCtrl-Inc_2__214.mzML
SUBJECT_SAMPLE_FACTORS           	-	68_E-FW-TxCtrl-Inc_3	Type:E - exometabolome | Medium:FW - freshwater | Algal strain or abiotic control condition:TxCtrl - treatment control | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_68_E-FW-TxCtrl-Inc_3__320.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_68_E-FW-TxCtrl-Inc_3__319.mzML
SUBJECT_SAMPLE_FACTORS           	-	69_E-FW-TxCtrl-Inc_4	Type:E - exometabolome | Medium:FW - freshwater | Algal strain or abiotic control condition:TxCtrl - treatment control | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_69_E-FW-TxCtrl-Inc_4__188.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_69_E-FW-TxCtrl-Inc_4__187.mzML
SUBJECT_SAMPLE_FACTORS           	-	70_E-FW-TxCtrl-Inc_5	Type:E - exometabolome | Medium:FW - freshwater | Algal strain or abiotic control condition:TxCtrl - treatment control | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_70_E-FW-TxCtrl-Inc_5__110.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_70_E-FW-TxCtrl-Inc_5__109.mzML
SUBJECT_SAMPLE_FACTORS           	-	56_E-FW-TxCtrl-noInc_1	Type:E - exometabolome | Medium:FW - freshwater | Algal strain or abiotic control condition:TxCtrl - treatment control | Incubation:noInc - not incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_56_E-FW-TxCtrl-noInc_1__266.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_56_E-FW-TxCtrl-noInc_1__265.mzML
SUBJECT_SAMPLE_FACTORS           	-	57_E-FW-TxCtrl-noInc_2	Type:E - exometabolome | Medium:FW - freshwater | Algal strain or abiotic control condition:TxCtrl - treatment control | Incubation:noInc - not incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_57_E-FW-TxCtrl-noInc_2__35.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_57_E-FW-TxCtrl-noInc_2__34.mzML
SUBJECT_SAMPLE_FACTORS           	-	58_E-FW-TxCtrl-noInc_3	Type:E - exometabolome | Medium:FW - freshwater | Algal strain or abiotic control condition:TxCtrl - treatment control | Incubation:noInc - not incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_58_E-FW-TxCtrl-noInc_3__260.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_58_E-FW-TxCtrl-noInc_3__259.mzML
SUBJECT_SAMPLE_FACTORS           	-	59_E-FW-TxCtrl-noInc_4	Type:E - exometabolome | Medium:FW - freshwater | Algal strain or abiotic control condition:TxCtrl - treatment control | Incubation:noInc - not incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_59_E-FW-TxCtrl-noInc_4__131.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_59_E-FW-TxCtrl-noInc_4__130.mzML
SUBJECT_SAMPLE_FACTORS           	-	60_E-FW-TxCtrl-noInc_5	Type:E - exometabolome | Medium:FW - freshwater | Algal strain or abiotic control condition:TxCtrl - treatment control | Incubation:noInc - not incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_60_E-FW-TxCtrl-noInc_5__179.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_60_E-FW-TxCtrl-noInc_5__178.mzML
SUBJECT_SAMPLE_FACTORS           	-	46_E-SW-DS-Inc_1	Type:E - exometabolome | Medium:SW - saltwater | Algal strain or abiotic control condition:DS - Desmodesmus sp. | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_46_E-SW-DS-Inc_1__197.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_46_E-SW-DS-Inc_1__196.mzML
SUBJECT_SAMPLE_FACTORS           	-	47_E-SW-DS-Inc_2	Type:E - exometabolome | Medium:SW - saltwater | Algal strain or abiotic control condition:DS - Desmodesmus sp. | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_47_E-SW-DS-Inc_2__203.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_47_E-SW-DS-Inc_2__202.mzML
SUBJECT_SAMPLE_FACTORS           	-	48_E-SW-DS-Inc_3	Type:E - exometabolome | Medium:SW - saltwater | Algal strain or abiotic control condition:DS - Desmodesmus sp. | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_48_E-SW-DS-Inc_3__236.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_48_E-SW-DS-Inc_3__235.mzML
SUBJECT_SAMPLE_FACTORS           	-	49_E-SW-DS-Inc_4	Type:E - exometabolome | Medium:SW - saltwater | Algal strain or abiotic control condition:DS - Desmodesmus sp. | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_49_E-SW-DS-Inc_4__65.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_49_E-SW-DS-Inc_4__64.mzML
SUBJECT_SAMPLE_FACTORS           	-	50_E-SW-DS-Inc_5	Type:E - exometabolome | Medium:SW - saltwater | Algal strain or abiotic control condition:DS - Desmodesmus sp. | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_50_E-SW-DS-Inc_5__218.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_50_E-SW-DS-Inc_5__217.mzML
SUBJECT_SAMPLE_FACTORS           	-	36_E-SW-Ms-Inc_1	Type:E - exometabolome | Medium:SW - saltwater | Algal strain or abiotic control condition:Ms - Microchloropsis salina | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_36_E-SW-Ms-Inc_1__101.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_36_E-SW-Ms-Inc_1__100.mzML
SUBJECT_SAMPLE_FACTORS           	-	37_E-SW-Ms-Inc_2	Type:E - exometabolome | Medium:SW - saltwater | Algal strain or abiotic control condition:Ms - Microchloropsis salina | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_37_E-SW-Ms-Inc_2__290.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_37_E-SW-Ms-Inc_2__289.mzML
SUBJECT_SAMPLE_FACTORS           	-	38_E-SW-Ms-Inc_3	Type:E - exometabolome | Medium:SW - saltwater | Algal strain or abiotic control condition:Ms - Microchloropsis salina | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_38_E-SW-Ms-Inc_3__71.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_38_E-SW-Ms-Inc_3__70.mzML
SUBJECT_SAMPLE_FACTORS           	-	39_E-SW-Ms-Inc_4	Type:E - exometabolome | Medium:SW - saltwater | Algal strain or abiotic control condition:Ms - Microchloropsis salina | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_39_E-SW-Ms-Inc_4__164.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_39_E-SW-Ms-Inc_4__163.mzML
SUBJECT_SAMPLE_FACTORS           	-	40_E-SW-Ms-Inc_5	Type:E - exometabolome | Medium:SW - saltwater | Algal strain or abiotic control condition:Ms - Microchloropsis salina | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_40_E-SW-Ms-Inc_5__113.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_40_E-SW-Ms-Inc_5__112.mzML
SUBJECT_SAMPLE_FACTORS           	-	26_E-SW-Pt-Inc_1	Type:E - exometabolome | Medium:SW - saltwater | Algal strain or abiotic control condition:Pt - Phaeodactylum trocornutum | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_26_E-SW-Pt-Inc_1__122.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_26_E-SW-Pt-Inc_1__121.mzML
SUBJECT_SAMPLE_FACTORS           	-	27_E-SW-Pt-Inc_2	Type:E - exometabolome | Medium:SW - saltwater | Algal strain or abiotic control condition:Pt - Phaeodactylum trocornutum | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_27_E-SW-Pt-Inc_2__296.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_27_E-SW-Pt-Inc_2__295.mzML
SUBJECT_SAMPLE_FACTORS           	-	28_E-SW-Pt-Inc_3	Type:E - exometabolome | Medium:SW - saltwater | Algal strain or abiotic control condition:Pt - Phaeodactylum trocornutum | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_28_E-SW-Pt-Inc_3__308.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_28_E-SW-Pt-Inc_3__307.mzML
SUBJECT_SAMPLE_FACTORS           	-	29_E-SW-Pt-Inc_4	Type:E - exometabolome | Medium:SW - saltwater | Algal strain or abiotic control condition:Pt - Phaeodactylum trocornutum | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_29_E-SW-Pt-Inc_4__128.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_29_E-SW-Pt-Inc_4__127.mzML
SUBJECT_SAMPLE_FACTORS           	-	30_E-SW-Pt-Inc_5	Type:E - exometabolome | Medium:SW - saltwater | Algal strain or abiotic control condition:Pt - Phaeodactylum trocornutum | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_30_E-SW-Pt-Inc_5__230.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_30_E-SW-Pt-Inc_5__229.mzML
SUBJECT_SAMPLE_FACTORS           	-	16_E-SW-TxCtrl-Inc_1	Type:E - exometabolome | Medium:SW - saltwater | Algal strain or abiotic control condition:TxCtrl - treatment control | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_16_E-SW-TxCtrl-Inc_1__302.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_16_E-SW-TxCtrl-Inc_1__301.mzML
SUBJECT_SAMPLE_FACTORS           	-	17_E-SW-TxCtrl-Inc_2	Type:E - exometabolome | Medium:SW - saltwater | Algal strain or abiotic control condition:TxCtrl - treatment control | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_17_E-SW-TxCtrl-Inc_2__95.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_17_E-SW-TxCtrl-Inc_2__94.mzML
SUBJECT_SAMPLE_FACTORS           	-	18_E-SW-TxCtrl-Inc_3	Type:E - exometabolome | Medium:SW - saltwater | Algal strain or abiotic control condition:TxCtrl - treatment control | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_18_E-SW-TxCtrl-Inc_3__167.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_18_E-SW-TxCtrl-Inc_3__166.mzML
SUBJECT_SAMPLE_FACTORS           	-	19_E-SW-TxCtrl-Inc_4	Type:E - exometabolome | Medium:SW - saltwater | Algal strain or abiotic control condition:TxCtrl - treatment control | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_19_E-SW-TxCtrl-Inc_4__32.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_19_E-SW-TxCtrl-Inc_4__31.mzML
SUBJECT_SAMPLE_FACTORS           	-	20_E-SW-TxCtrl-Inc_5	Type:E - exometabolome | Medium:SW - saltwater | Algal strain or abiotic control condition:TxCtrl - treatment control | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_20_E-SW-TxCtrl-Inc_5__146.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_20_E-SW-TxCtrl-Inc_5__145.mzML
SUBJECT_SAMPLE_FACTORS           	-	10_E-SW-TxCtrl-noInc_5	Type:E - exometabolome | Medium:SW - saltwater | Algal strain or abiotic control condition:TxCtrl - treatment control | Incubation:noInc - not incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_10_E-SW-TxCtrl-noInc_5__29.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_10_E-SW-TxCtrl-noInc_5__28.mzML
SUBJECT_SAMPLE_FACTORS           	-	6_E-SW-TxCtrl-noInc_1	Type:E - exometabolome | Medium:SW - saltwater | Algal strain or abiotic control condition:TxCtrl - treatment control | Incubation:noInc - not incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_6_E-SW-TxCtrl-noInc_1__170.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_6_E-SW-TxCtrl-noInc_1__169.mzML
SUBJECT_SAMPLE_FACTORS           	-	7_E-SW-TxCtrl-noInc_2	Type:E - exometabolome | Medium:SW - saltwater | Algal strain or abiotic control condition:TxCtrl - treatment control | Incubation:noInc - not incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_7_E-SW-TxCtrl-noInc_2__254.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_7_E-SW-TxCtrl-noInc_2__253.mzML
SUBJECT_SAMPLE_FACTORS           	-	8_E-SW-TxCtrl-noInc_3	Type:E - exometabolome | Medium:SW - saltwater | Algal strain or abiotic control condition:TxCtrl - treatment control | Incubation:noInc - not incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_8_E-SW-TxCtrl-noInc_3__137.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_8_E-SW-TxCtrl-noInc_3__136.mzML
SUBJECT_SAMPLE_FACTORS           	-	9_E-SW-TxCtrl-noInc_4	Type:E - exometabolome | Medium:SW - saltwater | Algal strain or abiotic control condition:TxCtrl - treatment control | Incubation:noInc - not incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_9_E-SW-TxCtrl-noInc_4__185.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_9_E-SW-TxCtrl-noInc_4__184.mzML
SUBJECT_SAMPLE_FACTORS           	-	1_none-none-ExCtrl-noInc_1	Type:none | Medium:none | Algal strain or abiotic control condition:ExCtrl - extraxtion control | Incubation:noInc - not incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_1_none-none-ExCtrl-noInc_1__14.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_1_none-none-ExCtrl-noInc_1__13.mzML
SUBJECT_SAMPLE_FACTORS           	-	2_none-none-ExCtrl-noInc_2	Type:none | Medium:none | Algal strain or abiotic control condition:ExCtrl - extraxtion control | Incubation:noInc - not incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_2_none-none-ExCtrl-noInc_2__119.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_2_none-none-ExCtrl-noInc_2__118.mzML
SUBJECT_SAMPLE_FACTORS           	-	3_none-none-ExCtrl-noInc_3	Type:none | Medium:none | Algal strain or abiotic control condition:ExCtrl - extraxtion control | Incubation:noInc - not incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_3_none-none-ExCtrl-noInc_3__275.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_3_none-none-ExCtrl-noInc_3__274.mzML
SUBJECT_SAMPLE_FACTORS           	-	4_none-none-ExCtrl-noInc_4	Type:none | Medium:none | Algal strain or abiotic control condition:ExCtrl - extraxtion control | Incubation:noInc - not incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_4_none-none-ExCtrl-noInc_4__224.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_4_none-none-ExCtrl-noInc_4__223.mzML
SUBJECT_SAMPLE_FACTORS           	-	5_none-none-ExCtrl-noInc_5	Type:none | Medium:none | Algal strain or abiotic control condition:ExCtrl - extraxtion control | Incubation:noInc - not incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_5_none-none-ExCtrl-noInc_5__191.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_5_none-none-ExCtrl-noInc_5__190.mzML
SUBJECT_SAMPLE_FACTORS           	-	81_P-FW-Cr-Inc_1	Type:P - pellet | Medium:FW - freshwater | Algal strain or abiotic control condition:Cr - Chlamydomonas reinhardtii | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_81_P-FW-Cr-Inc_1__98.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_81_P-FW-Cr-Inc_1__97.mzML
SUBJECT_SAMPLE_FACTORS           	-	82_P-FW-Cr-Inc_2	Type:P - pellet | Medium:FW - freshwater | Algal strain or abiotic control condition:Cr - Chlamydomonas reinhardtii | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_82_P-FW-Cr-Inc_2__176.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_82_P-FW-Cr-Inc_2__175.mzML
SUBJECT_SAMPLE_FACTORS           	-	83_P-FW-Cr-Inc_3	Type:P - pellet | Medium:FW - freshwater | Algal strain or abiotic control condition:Cr - Chlamydomonas reinhardtii | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_83_P-FW-Cr-Inc_3__314.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_83_P-FW-Cr-Inc_3__313.mzML
SUBJECT_SAMPLE_FACTORS           	-	84_P-FW-Cr-Inc_4	Type:P - pellet | Medium:FW - freshwater | Algal strain or abiotic control condition:Cr - Chlamydomonas reinhardtii | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_84_P-FW-Cr-Inc_4__47.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_84_P-FW-Cr-Inc_4__46.mzML
SUBJECT_SAMPLE_FACTORS           	-	85_P-FW-Cr-Inc_5	Type:P - pellet | Medium:FW - freshwater | Algal strain or abiotic control condition:Cr - Chlamydomonas reinhardtii | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_85_P-FW-Cr-Inc_5__287.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_85_P-FW-Cr-Inc_5__286.mzML
SUBJECT_SAMPLE_FACTORS           	-	91_P-FW-DF-Inc_1	Type:P - pellet | Medium:FW - freshwater | Algal strain or abiotic control condition:DF - Desmodesmus sp. | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_91_P-FW-DF-Inc_1__311.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_91_P-FW-DF-Inc_1__310.mzML
SUBJECT_SAMPLE_FACTORS           	-	92_P-FW-DF-Inc_2	Type:P - pellet | Medium:FW - freshwater | Algal strain or abiotic control condition:DF - Desmodesmus sp. | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_92_P-FW-DF-Inc_2__194.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_92_P-FW-DF-Inc_2__193.mzML
SUBJECT_SAMPLE_FACTORS           	-	93_P-FW-DF-Inc_3	Type:P - pellet | Medium:FW - freshwater | Algal strain or abiotic control condition:DF - Desmodesmus sp. | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_93_P-FW-DF-Inc_3__80.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_93_P-FW-DF-Inc_3__79.mzML
SUBJECT_SAMPLE_FACTORS           	-	94_P-FW-DF-Inc_4	Type:P - pellet | Medium:FW - freshwater | Algal strain or abiotic control condition:DF - Desmodesmus sp. | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_94_P-FW-DF-Inc_4__89.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_94_P-FW-DF-Inc_4__88.mzML
SUBJECT_SAMPLE_FACTORS           	-	95_P-FW-DF-Inc_5	Type:P - pellet | Medium:FW - freshwater | Algal strain or abiotic control condition:DF - Desmodesmus sp. | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_95_P-FW-DF-Inc_5__212.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_95_P-FW-DF-Inc_5__211.mzML
SUBJECT_SAMPLE_FACTORS           	-	71_P-FW-TxCtrl-Inc_1	Type:P - pellet | Medium:FW - freshwater | Algal strain or abiotic control condition:TxCtrl - treatment control | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_71_P-FW-TxCtrl-Inc_1__299.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_71_P-FW-TxCtrl-Inc_1__298.mzML
SUBJECT_SAMPLE_FACTORS           	-	72_P-FW-TxCtrl-Inc_2	Type:P - pellet | Medium:FW - freshwater | Algal strain or abiotic control condition:TxCtrl - treatment control | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_72_P-FW-TxCtrl-Inc_2__77.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_72_P-FW-TxCtrl-Inc_2__76.mzML
SUBJECT_SAMPLE_FACTORS           	-	73_P-FW-TxCtrl-Inc_3	Type:P - pellet | Medium:FW - freshwater | Algal strain or abiotic control condition:TxCtrl - treatment control | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_73_P-FW-TxCtrl-Inc_3__227.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_73_P-FW-TxCtrl-Inc_3__226.mzML
SUBJECT_SAMPLE_FACTORS           	-	74_P-FW-TxCtrl-Inc_4	Type:P - pellet | Medium:FW - freshwater | Algal strain or abiotic control condition:TxCtrl - treatment control | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_74_P-FW-TxCtrl-Inc_4__251.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_74_P-FW-TxCtrl-Inc_4__250.mzML
SUBJECT_SAMPLE_FACTORS           	-	95_P-FW-TxCtrl-Inc_5	Type:P - pellet | Medium:FW - freshwater | Algal strain or abiotic control condition:TxCtrl - treatment control | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_95_P-FW-TxCtrl-Inc_5__23.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_95_P-FW-TxCtrl-Inc_5__22.mzML
SUBJECT_SAMPLE_FACTORS           	-	61_P-FW-TxCtrl-noInc_1	Type:P - pellet | Medium:FW - freshwater | Algal strain or abiotic control condition:TxCtrl - treatment control | Incubation:noInc - not incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_61_P-FW-TxCtrl-noInc_1__200.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_61_P-FW-TxCtrl-noInc_1__199.mzML
SUBJECT_SAMPLE_FACTORS           	-	62_P-FW-TxCtrl-noInc_2	Type:P - pellet | Medium:FW - freshwater | Algal strain or abiotic control condition:TxCtrl - treatment control | Incubation:noInc - not incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_62_P-FW-TxCtrl-noInc_2__149.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_62_P-FW-TxCtrl-noInc_2__148.mzML
SUBJECT_SAMPLE_FACTORS           	-	63_P-FW-TxCtrl-noInc_3	Type:P - pellet | Medium:FW - freshwater | Algal strain or abiotic control condition:TxCtrl - treatment control | Incubation:noInc - not incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_63_P-FW-TxCtrl-noInc_3__281.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_63_P-FW-TxCtrl-noInc_3__280.mzML
SUBJECT_SAMPLE_FACTORS           	-	64_P-FW-TxCtrl-noInc_4	Type:P - pellet | Medium:FW - freshwater | Algal strain or abiotic control condition:TxCtrl - treatment control | Incubation:noInc - not incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_64_P-FW-TxCtrl-noInc_4__38.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_64_P-FW-TxCtrl-noInc_4__37.mzML
SUBJECT_SAMPLE_FACTORS           	-	65_P-FW-TxCtrl-noInc_5	Type:P - pellet | Medium:FW - freshwater | Algal strain or abiotic control condition:TxCtrl - treatment control | Incubation:noInc - not incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_65_P-FW-TxCtrl-noInc_5__104.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_65_P-FW-TxCtrl-noInc_5__103.mzML
SUBJECT_SAMPLE_FACTORS           	-	51_P-SW-DS-Inc_1	Type:P - pellet | Medium:SW - saltwater | Algal strain or abiotic control condition:DS - Desmodesmus sp. | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_51_P-SW-DS-Inc_1__233.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_51_P-SW-DS-Inc_1__232.mzML
SUBJECT_SAMPLE_FACTORS           	-	52_P-SW-DS-Inc_2	Type:P - pellet | Medium:SW - saltwater | Algal strain or abiotic control condition:DS - Desmodesmus sp. | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_52_P-SW-DS-Inc_2__134.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_52_P-SW-DS-Inc_2__133.mzML
SUBJECT_SAMPLE_FACTORS           	-	53_P-SW-DS-Inc_3	Type:P - pellet | Medium:SW - saltwater | Algal strain or abiotic control condition:DS - Desmodesmus sp. | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_53_P-SW-DS-Inc_3__116.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_53_P-SW-DS-Inc_3__115.mzML
SUBJECT_SAMPLE_FACTORS           	-	54_P-SW-DS-Inc_4	Type:P - pellet | Medium:SW - saltwater | Algal strain or abiotic control condition:DS - Desmodesmus sp. | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_54_P-SW-DS-Inc_4__257.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_54_P-SW-DS-Inc_4__256.mzML
SUBJECT_SAMPLE_FACTORS           	-	55_P-SW-DS-Inc_5	Type:P - pellet | Medium:SW - saltwater | Algal strain or abiotic control condition:DS - Desmodesmus sp. | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_55_P-SW-DS-Inc_5__92.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_55_P-SW-DS-Inc_5__91.mzML
SUBJECT_SAMPLE_FACTORS           	-	41_P-SW-Ms-Inc_1	Type:P - pellet | Medium:SW - saltwater | Algal strain or abiotic control condition:Ms - Microchloropsis salina | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_41_P-SW-Ms-Inc_1__155.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_41_P-SW-Ms-Inc_1__154.mzML
SUBJECT_SAMPLE_FACTORS           	-	42_P-SW-Ms-Inc_2	Type:P - pellet | Medium:SW - saltwater | Algal strain or abiotic control condition:Ms - Microchloropsis salina | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_42_P-SW-Ms-Inc_2__245.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_42_P-SW-Ms-Inc_2__244.mzML
SUBJECT_SAMPLE_FACTORS           	-	43_P-SW-Ms-Inc_3	Type:P - pellet | Medium:SW - saltwater | Algal strain or abiotic control condition:Ms - Microchloropsis salina | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_43_P-SW-Ms-Inc_3__221.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_43_P-SW-Ms-Inc_3__220.mzML
SUBJECT_SAMPLE_FACTORS           	-	44_P-SW-Ms-Inc_4	Type:P - pellet | Medium:SW - saltwater | Algal strain or abiotic control condition:Ms - Microchloropsis salina | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_44_P-SW-Ms-Inc_4__44.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_44_P-SW-Ms-Inc_4__43.mzML
SUBJECT_SAMPLE_FACTORS           	-	45_P-SW-Ms-Inc_5	Type:P - pellet | Medium:SW - saltwater | Algal strain or abiotic control condition:Ms - Microchloropsis salina | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_45_P-SW-Ms-Inc_5__83.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_45_P-SW-Ms-Inc_5__82.mzML
SUBJECT_SAMPLE_FACTORS           	-	31_P-SW-Pt-Inc_1	Type:P - pellet | Medium:SW - saltwater | Algal strain or abiotic control condition:Pt - Phaeodactylum trocornutum | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_31_P-SW-Pt-Inc_1__317.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_31_P-SW-Pt-Inc_1__316.mzML
SUBJECT_SAMPLE_FACTORS           	-	32_P-SW-Pt-Inc_2	Type:P - pellet | Medium:SW - saltwater | Algal strain or abiotic control condition:Pt - Phaeodactylum trocornutum | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_32_P-SW-Pt-Inc_2__248.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_32_P-SW-Pt-Inc_2__247.mzML
SUBJECT_SAMPLE_FACTORS           	-	33_P-SW-Pt-Inc_3	Type:P - pellet | Medium:SW - saltwater | Algal strain or abiotic control condition:Pt - Phaeodactylum trocornutum | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_33_P-SW-Pt-Inc_3__263.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_33_P-SW-Pt-Inc_3__262.mzML
SUBJECT_SAMPLE_FACTORS           	-	34_P-SW-Pt-Inc_4	Type:P - pellet | Medium:SW - saltwater | Algal strain or abiotic control condition:Pt - Phaeodactylum trocornutum | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_34_P-SW-Pt-Inc_4__11.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_34_P-SW-Pt-Inc_4__10.mzML
SUBJECT_SAMPLE_FACTORS           	-	35_P-SW-Pt-Inc_5	Type:P - pellet | Medium:SW - saltwater | Algal strain or abiotic control condition:Pt - Phaeodactylum trocornutum | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_35_P-SW-Pt-Inc_5__293.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_35_P-SW-Pt-Inc_5__292.mzML
SUBJECT_SAMPLE_FACTORS           	-	21_P-SW-TxCtrl-Inc_1	Type:P - pellet | Medium:SW - saltwater | Algal strain or abiotic control condition:TxCtrl - treatment control | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_21_P-SW-TxCtrl-Inc_1__56.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_21_P-SW-TxCtrl-Inc_1__55.mzML
SUBJECT_SAMPLE_FACTORS           	-	22_P-SW-TxCtrl-Inc_2	Type:P - pellet | Medium:SW - saltwater | Algal strain or abiotic control condition:TxCtrl - treatment control | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_22_P-SW-TxCtrl-Inc_2__278.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_22_P-SW-TxCtrl-Inc_2__277.mzML
SUBJECT_SAMPLE_FACTORS           	-	23_P-SW-TxCtrl-Inc_3	Type:P - pellet | Medium:SW - saltwater | Algal strain or abiotic control condition:TxCtrl - treatment control | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_23_P-SW-TxCtrl-Inc_3__182.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_23_P-SW-TxCtrl-Inc_3__181.mzML
SUBJECT_SAMPLE_FACTORS           	-	24_P-SW-TxCtrl-Inc_4	Type:P - pellet | Medium:SW - saltwater | Algal strain or abiotic control condition:TxCtrl - treatment control | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_24_P-SW-TxCtrl-Inc_4__86.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_24_P-SW-TxCtrl-Inc_4__85.mzML
SUBJECT_SAMPLE_FACTORS           	-	55_P-SW-TxCtrl-Inc_5	Type:P - pellet | Medium:SW - saltwater | Algal strain or abiotic control condition:TxCtrl - treatment control | Incubation:Inc - incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_55_P-SW-TxCtrl-Inc_5__158.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_55_P-SW-TxCtrl-Inc_5__157.mzML
SUBJECT_SAMPLE_FACTORS           	-	11_P-SW-TxCtrl-noInc_1	Type:P - pellet | Medium:SW - saltwater | Algal strain or abiotic control condition:TxCtrl - treatment control | Incubation:noInc - not incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_11_P-SW-TxCtrl-noInc_1__209.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_11_P-SW-TxCtrl-noInc_1__208.mzML
SUBJECT_SAMPLE_FACTORS           	-	12_P-SW-TxCtrl-noInc_2	Type:P - pellet | Medium:SW - saltwater | Algal strain or abiotic control condition:TxCtrl - treatment control | Incubation:noInc - not incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_12_P-SW-TxCtrl-noInc_2__161.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_12_P-SW-TxCtrl-noInc_2__160.mzML
SUBJECT_SAMPLE_FACTORS           	-	13_P-SW-TxCtrl-noInc_3	Type:P - pellet | Medium:SW - saltwater | Algal strain or abiotic control condition:TxCtrl - treatment control | Incubation:noInc - not incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_13_P-SW-TxCtrl-noInc_3__62.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_13_P-SW-TxCtrl-noInc_3__61.mzML
SUBJECT_SAMPLE_FACTORS           	-	14_P-SW-TxCtrl-noInc_4	Type:P - pellet | Medium:SW - saltwater | Algal strain or abiotic control condition:TxCtrl - treatment control | Incubation:noInc - not incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_14_P-SW-TxCtrl-noInc_4__68.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_14_P-SW-TxCtrl-noInc_4__67.mzML
SUBJECT_SAMPLE_FACTORS           	-	15_P-SW-TxCtrl-noInc_5	Type:P - pellet | Medium:SW - saltwater | Algal strain or abiotic control condition:TxCtrl - treatment control | Incubation:noInc - not incubated	RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_NEG_MSMS-v2_15_P-SW-TxCtrl-noInc_5__242.mzML; RAW_FILE_NAME=20191216_AG_VB_BioSFA_AlgaeCmpr_SetC18_QE144_EPC18_USDAY46920_POS_MSMS-v2_15_P-SW-TxCtrl-noInc_5__241.mzML
#COLLECTION
CO:COLLECTION_SUMMARY            	Axenic algal were grown in glass 125 mL Erlenmeyer flasks that had previously
CO:COLLECTION_SUMMARY            	been baked in a muffle furnace at 550°C for two hours to remove trace organics
CO:COLLECTION_SUMMARY            	that could contaminate metabolomics analyses. Each flask contained 50 mL of the
CO:COLLECTION_SUMMARY            	appropriate medium (defined freshwater or saltwater medium) and was capped with
CO:COLLECTION_SUMMARY            	a foam stopper and covered with aluminum foil to avoid contamination during the
CO:COLLECTION_SUMMARY            	experiment. Flasks were incubated with shaking at 90 rpm in a light incubator,
CO:COLLECTION_SUMMARY            	with a 12-hour day/night light cycle. Daytime illumination was 3500 lux, and the
CO:COLLECTION_SUMMARY            	incubator temperature was maintained at 22°C. Algal inocula were prepared by
CO:COLLECTION_SUMMARY            	first growing algal stock cultures under experimental conditions (flasks, media,
CO:COLLECTION_SUMMARY            	incubation) for one week to acclimate cultures to those conditions. Experimental
CO:COLLECTION_SUMMARY            	flasks were inoculated by transferring 2 mL of inoculum culture to flasks with
CO:COLLECTION_SUMMARY            	the appropriate medium. Cultures were harvested for metabolomic analysis from
CO:COLLECTION_SUMMARY            	five replicate flasks for each alga after 8 days of incubation. Spent medium and
CO:COLLECTION_SUMMARY            	cell pellets were separated by centrifugation. Half of the culture was
CO:COLLECTION_SUMMARY            	transferred to a 50 mL falcon tube and centrifuged at 5000 g for eight minutes
CO:COLLECTION_SUMMARY            	at 4°C. The supernatant was carefully transferred to a clean Falcon tube, and
CO:COLLECTION_SUMMARY            	the remainder of the culture was added to the tube containing the pellet and the
CO:COLLECTION_SUMMARY            	centrifugation procedure was repeated. After separation by centrifugation, the
CO:COLLECTION_SUMMARY            	supernatant was filtered through a 0.45µm pore size syringe filter to remove
CO:COLLECTION_SUMMARY            	residual algal cells. Filtered spent medium and cell pellets were frozen on dry
CO:COLLECTION_SUMMARY            	ice and stored at -80°C until extraction.
CO:SAMPLE_TYPE                   	Algae
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	Treatments consisted of 4 different axenic algal strains growth separately for
TR:TREATMENT_SUMMARY             	comparison: Chlamydomonas reinhardtii, Desmodesmus sp., Phaeodactylum
TR:TREATMENT_SUMMARY             	tricornutum, and Microchloropsis salina. C. reinhartdii was grown in defined
TR:TREATMENT_SUMMARY             	freshwater mediunm. Desmodesmus was grown separately in defined freshwater and
TR:TREATMENT_SUMMARY             	saltwater medium. P. tricornutum and M. salina were grown separately in defined
TR:TREATMENT_SUMMARY             	saltwater medium. Separate axenic controls were conducted for the defined
TR:TREATMENT_SUMMARY             	freshwater and saltwater media. Metabolite extraction controls were also
TR:TREATMENT_SUMMARY             	prepared using the same extraction protocol.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	In order to disrupt cells for metabolite extraction, cell pellets were
SP:SAMPLEPREP_SUMMARY            	resuspended in 1 mL sterile water, frozen at -80°C, and lyophilized.
SP:SAMPLEPREP_SUMMARY            	Lyophilized pellets were disrupted using a sterilized steel ball and vortexing
SP:SAMPLEPREP_SUMMARY            	three times for five seconds. Disrupted pellets were then resuspended in 50 mL
SP:SAMPLEPREP_SUMMARY            	sterile water and filtered and frozen in the same manner as spent medium. Thus,
SP:SAMPLEPREP_SUMMARY            	the spent medium and cell pellet samples corresponded to the same original
SP:SAMPLEPREP_SUMMARY            	sample volume. Samples for LC-MS/MS metabolomics analysis were extracted by
SP:SAMPLEPREP_SUMMARY            	solid phase extraction using Waters Sep-Pak C18 3 mL cartridges. Because
SP:SAMPLEPREP_SUMMARY            	chlorophyll and biomass content were similar across samples, samples were
SP:SAMPLEPREP_SUMMARY            	normalized to the same volume (30 mL). Cartridges were first preconditioned with
SP:SAMPLEPREP_SUMMARY            	3 mL methanol, and the rinsed with 6 mL ultrapure water. Metabolites were
SP:SAMPLEPREP_SUMMARY            	extracted by passing 30 mL of sample through the cartridge. Columns with
SP:SAMPLEPREP_SUMMARY            	extracted metabolites were rinsed with 6 mL ultrapure water. Metabolites were
SP:SAMPLEPREP_SUMMARY            	eluted with 1 mL methanol into a 1.5 mL polypropylene tube and the dried in a
SP:SAMPLEPREP_SUMMARY            	vacuum centrifuge with a refrigerated vapor trap. Dried metabolite extracts
SP:SAMPLEPREP_SUMMARY            	resuspended in 150 µL methanol with matrix control internal standards, vortexed
SP:SAMPLEPREP_SUMMARY            	for 5 to 10 seconds, and sonicated in a water bath sonicator with ice for ten
SP:SAMPLEPREP_SUMMARY            	minutes. Samples were centrifuged at 10,000 g for five minutes at 4°C to pellet
SP:SAMPLEPREP_SUMMARY            	insoluble salts and proteins. Supernatant was transferred to a 0.2 µm pore size
SP:SAMPLEPREP_SUMMARY            	centrifuge filter device, and centrifuged at 5,000 g for five minutes at 4°C.
SP:SAMPLEPREP_SUMMARY            	Filtrate was transferred to an autosampler vial for LC-MS/MS analysis.
#CHROMATOGRAPHY
CH:INSTRUMENT_NAME               	Agilent 1290
CH:COLUMN_NAME                   	Agilent Sorbax Eclipse Plus C18 RRHD (50 x 2.1 mm, 1.8 um)
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Single quadrupole
MS:MS_TYPE                       	ESI
MS:MS_COMMENTS                   	Feature detection conducted using MZmine 2
MS:ION_MODE                      	NEGATIVE
MS:MS_RESULTS_FILE               	ST001912_AN003109_Results.txt	UNITS:peak height	Has m/z:Yes	Has RT:Yes	RT units:Minutes
#END