#METABOLOMICS WORKBENCH jssacks_20250703_133942 DATATRACK_ID:6131 STUDY_ID:ST004081 ANALYSIS_ID:AN006757 PROJECT_ID:PR002562
VERSION             	1
CREATED_ON             	July 29, 2025, 11:44 am
#PROJECT
PR:PROJECT_TITLE                 	Remodeling of Prochlorococcus metabolism during viral infection
PR:PROJECT_TYPE                  	Marine Microbial Metabolomics
PR:PROJECT_SUMMARY               	The marine cyanobacterium Prochlorococcus is the most abundant photoautotroph in
PR:PROJECT_SUMMARY               	the world and is a major contributor to oceanic primary productivity. Viruses
PR:PROJECT_SUMMARY               	are important controls on Prochlorococcus populations with up to 10% of
PR:PROJECT_SUMMARY               	Prochlorococcus cells infected. During infection, viruses remodel their host’s
PR:PROJECT_SUMMARY               	metabolic machinery, creating metabolically distinct cells, termed virocells.
PR:PROJECT_SUMMARY               	However, the specific consequences of viral infection on Prochlorococcus
PR:PROJECT_SUMMARY               	metabolism remain poorly understood. Here, we characterize the infection of
PR:PROJECT_SUMMARY               	non-axenic cultures of Prochlorococcus MED4 by the T7-like virus P-SSP7 using a
PR:PROJECT_SUMMARY               	combination of metabolomics, transcriptomics, and population modeling
PR:PROJECT_SUMMARY               	approaches. P-SSP7 infection dramatically altered the metabolome of
PR:PROJECT_SUMMARY               	Prochlorococcus with 25% of metabolites showing differential abundance. Infected
PR:PROJECT_SUMMARY               	cells exhibited decreased carbon fixation and the draw down of intracellular
PR:PROJECT_SUMMARY               	stores of carbon structures and energy such as glycogen and the osmolytes
PR:PROJECT_SUMMARY               	sucrose and aspartic acid. In contrast, another osmolyte, glucosylglycerol, was
PR:PROJECT_SUMMARY               	accumulated in high concentrations and came to dominate the virocell metabolome.
PR:PROJECT_SUMMARY               	Infected cells also experienced pseudocobalamin (pB12) stress, as evidenced by
PR:PROJECT_SUMMARY               	reduced pB12 concentrations, increased expression of genes to synthesize pB12,
PR:PROJECT_SUMMARY               	and depletion of metabolites whose synthesis relies on pB12 including
PR:PROJECT_SUMMARY               	S-adnosylmethionine (SAM) and the antioxidant glutathione. Collectively, our
PR:PROJECT_SUMMARY               	results suggest that the observed metabolic remodeling is driven by the demand
PR:PROJECT_SUMMARY               	for carbon and energy for virion production and infection-induced oxidative
PR:PROJECT_SUMMARY               	stress. Viral infection changes the substrate and vitamin pools provided by
PR:PROJECT_SUMMARY               	Prochlorococcus to the microbial community, potentially altering the speciation
PR:PROJECT_SUMMARY               	and flux of organic matter in marine systems and acting as a selective force on
PR:PROJECT_SUMMARY               	microbial community composition and function.
PR:INSTITUTE                     	University of Washington
PR:DEPARTMENT                    	School of Oceanography
PR:LABORATORY                    	Ingalls Lab
PR:LAST_NAME                     	Sacks
PR:FIRST_NAME                    	Joshua
PR:ADDRESS                       	Box 355351 School of Oceanography University of Washington, Seattle WA 98115
PR:EMAIL                         	jssacks@uw.edu
PR:PHONE                         	206 221 6750
PR:FUNDING_SOURCE                	Simons Foundation
PR:PUBLICATIONS                  	Sacks et al. in prep
#STUDY
ST:STUDY_TITLE                   	Remodeling of Prochlorococcus metabolism during viral infection
ST:STUDY_TYPE                    	Marine Microbial Metabolomics
ST:STUDY_SUMMARY                 	The marine cyanobacterium Prochlorococcus is the most abundant photoautotroph in
ST:STUDY_SUMMARY                 	the world and is a major contributor to oceanic primary productivity. Viruses
ST:STUDY_SUMMARY                 	are important controls on Prochlorococcus populations with up to 10% of
ST:STUDY_SUMMARY                 	Prochlorococcus cells infected. During infection, viruses remodel their host’s
ST:STUDY_SUMMARY                 	metabolic machinery, creating metabolically distinct cells, termed virocells.
ST:STUDY_SUMMARY                 	However, the specific consequences of viral infection on Prochlorococcus
ST:STUDY_SUMMARY                 	metabolism remain poorly understood. Here, we characterize the infection of
ST:STUDY_SUMMARY                 	non-axenic cultures of Prochlorococcus MED4 by the T7-like virus P-SSP7 using a
ST:STUDY_SUMMARY                 	combination of metabolomics, transcriptomics, and population modeling
ST:STUDY_SUMMARY                 	approaches. Three biological replicates (Replicates A, B, and C) of
ST:STUDY_SUMMARY                 	Prochlorococcus MED4 and associated heterotrophic bacteria were inoculated with
ST:STUDY_SUMMARY                 	3 different levels of the virus P-SSP7 at the beginning of the experiment. The
ST:STUDY_SUMMARY                 	treatments were as follows: Control (C), no virus added; Low Virus (LV), viruses
ST:STUDY_SUMMARY                 	added in a 1:0.001 host:virus ratio; and High Virus (HV), viruses add in a 1:0.7
ST:STUDY_SUMMARY                 	host:virus ratio. The experiment was run for 48 hours with metabolomics samples
ST:STUDY_SUMMARY                 	collected at timepoints of 0, 12, 24, 36, and 48 hours for the LV and HV
ST:STUDY_SUMMARY                 	treatments and 0, 6, 12, 18, 24, 30, 36, 42, 48 hours for the C treatment.
ST:STUDY_SUMMARY                 	P-SSP7 infection dramatically altered the metabolome of Prochlorococcus with 25%
ST:STUDY_SUMMARY                 	of metabolites showing differential abundance. Infected cells exhibited
ST:STUDY_SUMMARY                 	decreased carbon fixation and the draw down of intracellular stores of carbon
ST:STUDY_SUMMARY                 	structures and energy such as glycogen and the osmolytes sucrose and aspartic
ST:STUDY_SUMMARY                 	acid. In contrast, another osmolyte, glucosylglycerol, was accumulated in high
ST:STUDY_SUMMARY                 	concentrations and came to dominate the virocell metabolome. Infected cells also
ST:STUDY_SUMMARY                 	experienced pseudocobalamin (pB12) stress, as evidenced by reduced pB12
ST:STUDY_SUMMARY                 	concentrations, increased expression of genes to synthesize pB12, and depletion
ST:STUDY_SUMMARY                 	of metabolites whose synthesis relies on pB12 including S-adnosylmethionine
ST:STUDY_SUMMARY                 	(SAM) and the antioxidant glutathione. Collectively, our results suggest that
ST:STUDY_SUMMARY                 	the observed metabolic remodeling is driven by the demand for carbon and energy
ST:STUDY_SUMMARY                 	for virion production and infection-induced oxidative stress. Viral infection
ST:STUDY_SUMMARY                 	changes the substrate and vitamin pools provided by Prochlorococcus to the
ST:STUDY_SUMMARY                 	microbial community, potentially altering the speciation and flux of organic
ST:STUDY_SUMMARY                 	matter in marine systems and acting as a selective force on microbial community
ST:STUDY_SUMMARY                 	composition and function.
ST:INSTITUTE                     	University of Washington
ST:DEPARTMENT                    	School of Oceanography
ST:LABORATORY                    	Ingalls Lab
ST:LAST_NAME                     	Sacks
ST:FIRST_NAME                    	Joshua
ST:ADDRESS                       	Box 355351 School of Oceanography University of Washington, Seattle WA 98115
ST:EMAIL                         	jssacks@uw.edu
ST:PHONE                         	4074090052
#SUBJECT
SU:SUBJECT_TYPE                  	Bacteria
SU:SUBJECT_SPECIES               	Prochlorococcus marinus
SU:TAXONOMY_ID                   	59919
SU:GENOTYPE_STRAIN               	MED4
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           	-	A_C_0	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:0	Replicate=A; Volume_mL=50; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_A_1C_T0; RAW_FILE_NAME(RP_SampID)=201006_Smp_A_1C_T0; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_A_1C_T0
SUBJECT_SAMPLE_FACTORS           	-	A_C_12	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:12	Replicate=A; Volume_mL=50; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_A_1C_T12; RAW_FILE_NAME(RP_SampID)=201006_Smp_A_1C_T12; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_A_1C_T12
SUBJECT_SAMPLE_FACTORS           	-	A_C_18	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:18	Replicate=A; Volume_mL=50; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_A_1C_T18; RAW_FILE_NAME(RP_SampID)=201006_Smp_A_1C_T18; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_A_1C_T18
SUBJECT_SAMPLE_FACTORS           	-	A_C_24	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:24	Replicate=A; Volume_mL=100; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_A_1C_T24; RAW_FILE_NAME(RP_SampID)=201006_Smp_A_1C_T24; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_A_1C_T24
SUBJECT_SAMPLE_FACTORS           	-	A_C_30	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:30	Replicate=A; Volume_mL=50; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_A_1C_T30; RAW_FILE_NAME(RP_SampID)=201006_Smp_A_1C_T30; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_A_1C_T30
SUBJECT_SAMPLE_FACTORS           	-	A_C_36	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:36	Replicate=A; Volume_mL=300; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_A_1C_T36; RAW_FILE_NAME(RP_SampID)=201006_Smp_A_1C_T36; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_A_1C_T36
SUBJECT_SAMPLE_FACTORS           	-	A_C_42	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:42	Replicate=A; Volume_mL=50; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_A_1C_T42; RAW_FILE_NAME(RP_SampID)=201006_Smp_A_1C_T42; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_A_1C_T42
SUBJECT_SAMPLE_FACTORS           	-	A_C_48	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:48	Replicate=A; Volume_mL=100; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_A_1C_T48; RAW_FILE_NAME(RP_SampID)=201006_Smp_A_1C_T48; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_A_1C_T48
SUBJECT_SAMPLE_FACTORS           	-	A_C_6	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:6	Replicate=A; Volume_mL=50; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_A_1C_T6; RAW_FILE_NAME(RP_SampID)=201006_Smp_A_1C_T6; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_A_1C_T6
SUBJECT_SAMPLE_FACTORS           	-	A_LV_0	Sample source:Marine Microbe Culture | Treatment:LV | Timepoint_h:0	Replicate=A; Volume_mL=50; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_A_3LV_T0; RAW_FILE_NAME(RP_SampID)=201006_Smp_A_3LV_T0; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_A_3LV_T0
SUBJECT_SAMPLE_FACTORS           	-	A_LV_12	Sample source:Marine Microbe Culture | Treatment:LV | Timepoint_h:12	Replicate=A; Volume_mL=50; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_A_3LV_T12; RAW_FILE_NAME(RP_SampID)=201006_Smp_A_3LV_T12; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_A_3LV_T12
SUBJECT_SAMPLE_FACTORS           	-	A_LV_24	Sample source:Marine Microbe Culture | Treatment:LV | Timepoint_h:24	Replicate=A; Volume_mL=100; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_A_3LV_T24; RAW_FILE_NAME(RP_SampID)=201006_Smp_A_3LV_T24; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_A_3LV_T24
SUBJECT_SAMPLE_FACTORS           	-	A_LV_36	Sample source:Marine Microbe Culture | Treatment:LV | Timepoint_h:36	Replicate=A; Volume_mL=300; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_A_3LV_T36; RAW_FILE_NAME(RP_SampID)=201006_Smp_A_3LV_T36; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_A_3LV_T36
SUBJECT_SAMPLE_FACTORS           	-	A_LV_48	Sample source:Marine Microbe Culture | Treatment:LV | Timepoint_h:48	Replicate=A; Volume_mL=100; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_A_3LV_T48; RAW_FILE_NAME(RP_SampID)=201006_Smp_A_3LV_T48; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_A_3LV_T48
SUBJECT_SAMPLE_FACTORS           	-	A_HV_0	Sample source:Marine Microbe Culture | Treatment:HV | Timepoint_h:0	Replicate=A; Volume_mL=50; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_A_6HV_T0; RAW_FILE_NAME(RP_SampID)=201006_Smp_A_6HV_T0; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_A_6HV_T0
SUBJECT_SAMPLE_FACTORS           	-	A_HV_12	Sample source:Marine Microbe Culture | Treatment:HV | Timepoint_h:12	Replicate=A; Volume_mL=50; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_A_6HV_T12; RAW_FILE_NAME(RP_SampID)=201006_Smp_A_6HV_T12; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_A_6HV_T12
SUBJECT_SAMPLE_FACTORS           	-	A_HV_24	Sample source:Marine Microbe Culture | Treatment:HV | Timepoint_h:24	Replicate=A; Volume_mL=100; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_A_6HV_T24; RAW_FILE_NAME(RP_SampID)=201006_Smp_A_6HV_T24; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_A_6HV_T24
SUBJECT_SAMPLE_FACTORS           	-	A_HV_36	Sample source:Marine Microbe Culture | Treatment:HV | Timepoint_h:36	Replicate=A; Volume_mL=300; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_A_6HV_T36; RAW_FILE_NAME(RP_SampID)=201006_Smp_A_6HV_T36; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_A_6HV_T36
SUBJECT_SAMPLE_FACTORS           	-	A_HV_48	Sample source:Marine Microbe Culture | Treatment:HV | Timepoint_h:48	Replicate=A; Volume_mL=100; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_A_6HV_T48; RAW_FILE_NAME(RP_SampID)=201006_Smp_A_6HV_T48; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_A_6HV_T48
SUBJECT_SAMPLE_FACTORS           	-	B_C_0	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:0	Replicate=B; Volume_mL=50; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_B_1C_T0; RAW_FILE_NAME(RP_SampID)=201006_Smp_B_1C_T0; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_B_1C_T0
SUBJECT_SAMPLE_FACTORS           	-	B_C_12	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:12	Replicate=B; Volume_mL=50; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_B_1C_T12; RAW_FILE_NAME(RP_SampID)=201006_Smp_B_1C_T12; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_B_1C_T12
SUBJECT_SAMPLE_FACTORS           	-	B_C_18	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:18	Replicate=B; Volume_mL=50; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_B_1C_T18; RAW_FILE_NAME(RP_SampID)=201006_Smp_B_1C_T18; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_B_1C_T18
SUBJECT_SAMPLE_FACTORS           	-	B_C_24	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:24	Replicate=B; Volume_mL=100; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_B_1C_T24; RAW_FILE_NAME(RP_SampID)=201006_Smp_B_1C_T24; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_B_1C_T24
SUBJECT_SAMPLE_FACTORS           	-	B_C_30	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:30	Replicate=B; Volume_mL=50; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_B_1C_T30; RAW_FILE_NAME(RP_SampID)=201006_Smp_B_1C_T30; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_B_1C_T30
SUBJECT_SAMPLE_FACTORS           	-	B_C_36	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:36	Replicate=B; Volume_mL=300; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_B_1C_T36; RAW_FILE_NAME(RP_SampID)=201006_Smp_B_1C_T36; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_B_1C_T36
SUBJECT_SAMPLE_FACTORS           	-	B_C_42	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:42	Replicate=B; Volume_mL=50; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_B_1C_T42; RAW_FILE_NAME(RP_SampID)=201006_Smp_B_1C_T42; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_B_1C_T42
SUBJECT_SAMPLE_FACTORS           	-	B_C_48	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:48	Replicate=B; Volume_mL=100; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_B_1C_T48; RAW_FILE_NAME(RP_SampID)=201006_Smp_B_1C_T48; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_B_1C_T48
SUBJECT_SAMPLE_FACTORS           	-	B_C_6	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:6	Replicate=B; Volume_mL=50; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_B_1C_T6; RAW_FILE_NAME(RP_SampID)=201006_Smp_B_1C_T6; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_B_1C_T6
SUBJECT_SAMPLE_FACTORS           	-	B_LV_0	Sample source:Marine Microbe Culture | Treatment:LV | Timepoint_h:0	Replicate=B; Volume_mL=50; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_B_3LV_T0; RAW_FILE_NAME(RP_SampID)=201006_Smp_B_3LV_T0; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_B_3LV_T0
SUBJECT_SAMPLE_FACTORS           	-	B_LV_12	Sample source:Marine Microbe Culture | Treatment:LV | Timepoint_h:12	Replicate=B; Volume_mL=50; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_B_3LV_T12; RAW_FILE_NAME(RP_SampID)=201006_Smp_B_3LV_T12; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_B_3LV_T12
SUBJECT_SAMPLE_FACTORS           	-	B_LV_24	Sample source:Marine Microbe Culture | Treatment:LV | Timepoint_h:24	Replicate=B; Volume_mL=100; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_B_3LV_T24; RAW_FILE_NAME(RP_SampID)=201006_Smp_B_3LV_T24; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_B_3LV_T24
SUBJECT_SAMPLE_FACTORS           	-	B_LV_36	Sample source:Marine Microbe Culture | Treatment:LV | Timepoint_h:36	Replicate=B; Volume_mL=300; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_B_3LV_T36; RAW_FILE_NAME(RP_SampID)=201006_Smp_B_3LV_T36; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_B_3LV_T36
SUBJECT_SAMPLE_FACTORS           	-	B_LV_48	Sample source:Marine Microbe Culture | Treatment:LV | Timepoint_h:48	Replicate=B; Volume_mL=100; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_B_3LV_T48; RAW_FILE_NAME(RP_SampID)=201006_Smp_B_3LV_T48; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_B_3LV_T48
SUBJECT_SAMPLE_FACTORS           	-	B_HV_0	Sample source:Marine Microbe Culture | Treatment:HV | Timepoint_h:0	Replicate=B; Volume_mL=50; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_B_6HV_T0; RAW_FILE_NAME(RP_SampID)=201006_Smp_B_6HV_T0; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_B_6HV_T0
SUBJECT_SAMPLE_FACTORS           	-	B_HV_12	Sample source:Marine Microbe Culture | Treatment:HV | Timepoint_h:12	Replicate=B; Volume_mL=50; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_B_6HV_T12; RAW_FILE_NAME(RP_SampID)=201006_Smp_B_6HV_T12; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_B_6HV_T12
SUBJECT_SAMPLE_FACTORS           	-	B_HV_24	Sample source:Marine Microbe Culture | Treatment:HV | Timepoint_h:24	Replicate=B; Volume_mL=100; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_B_6HV_T24; RAW_FILE_NAME(RP_SampID)=201006_Smp_B_6HV_T24; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_B_6HV_T24
SUBJECT_SAMPLE_FACTORS           	-	B_HV_36	Sample source:Marine Microbe Culture | Treatment:HV | Timepoint_h:36	Replicate=B; Volume_mL=270; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_B_6HV_T36; RAW_FILE_NAME(RP_SampID)=201006_Smp_B_6HV_T36; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_B_6HV_T36
SUBJECT_SAMPLE_FACTORS           	-	B_HV_48	Sample source:Marine Microbe Culture | Treatment:HV | Timepoint_h:48	Replicate=B; Volume_mL=100; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_B_6HV_T48; RAW_FILE_NAME(RP_SampID)=201006_Smp_B_6HV_T48; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_B_6HV_T48
SUBJECT_SAMPLE_FACTORS           	-	C_C_0	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:0	Replicate=C; Volume_mL=50; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_C_1C_T0; RAW_FILE_NAME(RP_SampID)=201006_Smp_C_1C_T0; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_C_1C_T0
SUBJECT_SAMPLE_FACTORS           	-	C_C_12	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:12	Replicate=C; Volume_mL=50; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_C_1C_T12; RAW_FILE_NAME(RP_SampID)=201006_Smp_C_1C_T12; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_C_1C_T12
SUBJECT_SAMPLE_FACTORS           	-	C_C_18	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:18	Replicate=C; Volume_mL=50; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_C_1C_T18; RAW_FILE_NAME(RP_SampID)=201006_Smp_C_1C_T18; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_C_1C_T18
SUBJECT_SAMPLE_FACTORS           	-	C_C_24	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:24	Replicate=C; Volume_mL=100; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_C_1C_T24; RAW_FILE_NAME(RP_SampID)=201006_Smp_C_1C_T24; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_C_1C_T24
SUBJECT_SAMPLE_FACTORS           	-	C_C_30	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:30	Replicate=C; Volume_mL=50; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_C_1C_T30; RAW_FILE_NAME(RP_SampID)=201006_Smp_C_1C_T30; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_C_1C_T30
SUBJECT_SAMPLE_FACTORS           	-	C_C_36	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:36	Replicate=C; Volume_mL=100; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_C_1C_T36; RAW_FILE_NAME(RP_SampID)=201006_Smp_C_1C_T36; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_C_1C_T36
SUBJECT_SAMPLE_FACTORS           	-	C_C_42	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:42	Replicate=C; Volume_mL=50; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_C_1C_T42; RAW_FILE_NAME(RP_SampID)=201006_Smp_C_1C_T42; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_C_1C_T42
SUBJECT_SAMPLE_FACTORS           	-	C_C_48	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:48	Replicate=C; Volume_mL=100; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_C_1C_T48; RAW_FILE_NAME(RP_SampID)=201006_Smp_C_1C_T48; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_C_1C_T48
SUBJECT_SAMPLE_FACTORS           	-	C_C_6	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:6	Replicate=C; Volume_mL=50; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_C_1C_T6; RAW_FILE_NAME(RP_SampID)=201006_Smp_C_1C_T6; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_C_1C_T6
SUBJECT_SAMPLE_FACTORS           	-	C_LV_0	Sample source:Marine Microbe Culture | Treatment:LV | Timepoint_h:0	Replicate=C; Volume_mL=50; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_C_3LV_T0; RAW_FILE_NAME(RP_SampID)=201006_Smp_C_3LV_T0; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_C_3LV_T0
SUBJECT_SAMPLE_FACTORS           	-	C_LV_12	Sample source:Marine Microbe Culture | Treatment:LV | Timepoint_h:12	Replicate=C; Volume_mL=50; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_C_3LV_T12; RAW_FILE_NAME(RP_SampID)=201006_Smp_C_3LV_T12; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_C_3LV_T12
SUBJECT_SAMPLE_FACTORS           	-	C_LV_24	Sample source:Marine Microbe Culture | Treatment:LV | Timepoint_h:24	Replicate=C; Volume_mL=100; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_C_3LV_T24; RAW_FILE_NAME(RP_SampID)=201006_Smp_C_3LV_T24; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_C_3LV_T24
SUBJECT_SAMPLE_FACTORS           	-	C_LV_36	Sample source:Marine Microbe Culture | Treatment:LV | Timepoint_h:36	Replicate=C; Volume_mL=100; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_C_3LV_T36; RAW_FILE_NAME(RP_SampID)=201006_Smp_C_3LV_T36; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_C_3LV_T36
SUBJECT_SAMPLE_FACTORS           	-	C_LV_48	Sample source:Marine Microbe Culture | Treatment:LV | Timepoint_h:48	Replicate=C; Volume_mL=100; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_C_3LV_T48; RAW_FILE_NAME(RP_SampID)=201006_Smp_C_3LV_T48; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_C_3LV_T48
SUBJECT_SAMPLE_FACTORS           	-	C_HV_0	Sample source:Marine Microbe Culture | Treatment:HV | Timepoint_h:0	Replicate=C; Volume_mL=50; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_C_6HV_T0; RAW_FILE_NAME(RP_SampID)=201006_Smp_C_6HV_T0; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_C_6HV_T0
SUBJECT_SAMPLE_FACTORS           	-	C_HV_12	Sample source:Marine Microbe Culture | Treatment:HV | Timepoint_h:12	Replicate=C; Volume_mL=50; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_C_6HV_T12; RAW_FILE_NAME(RP_SampID)=201006_Smp_C_6HV_T12; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_C_6HV_T12
SUBJECT_SAMPLE_FACTORS           	-	C_HV_24	Sample source:Marine Microbe Culture | Treatment:HV | Timepoint_h:24	Replicate=C; Volume_mL=100; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_C_6HV_T24; RAW_FILE_NAME(RP_SampID)=201006_Smp_C_6HV_T24; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_C_6HV_T24
SUBJECT_SAMPLE_FACTORS           	-	C_HV_36	Sample source:Marine Microbe Culture | Treatment:HV | Timepoint_h:36	Replicate=C; Volume_mL=100; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_C_6HV_T36; RAW_FILE_NAME(RP_SampID)=201006_Smp_C_6HV_T36; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_C_6HV_T36
SUBJECT_SAMPLE_FACTORS           	-	C_HV_48	Sample source:Marine Microbe Culture | Treatment:HV | Timepoint_h:48	Replicate=C; Volume_mL=100; RAW_FILE_NAME(HILIC_SampID)=200929_Smp_C_6HV_T48; RAW_FILE_NAME(RP_SampID)=201006_Smp_C_6HV_T48; RAW_FILE_NAME(Vitamin_SampID)=230511_Smp_C_6HV_T48
#COLLECTION
CO:COLLECTION_SUMMARY            	Particulate metabolites were sampled using gentle vacuum filtration onto 47 mm
CO:COLLECTION_SUMMARY            	0.2-mm polytetrafluoroethylene (PTFE) omnipore filters (Omnipore Membrane
CO:COLLECTION_SUMMARY            	Filters, Merck Millipore Ltd). Glass and polysulfone filtration rigs were used.
CO:COLLECTION_SUMMARY            	Glass rigs were combusted at 450 ˚C for 4 hours before and between experiments.
CO:COLLECTION_SUMMARY            	The polysulfone filtration setups were soaked in 10% HCl for 24 hours and triple
CO:COLLECTION_SUMMARY            	rinsed with MiliQ water before and between experiments. In between sampling
CO:COLLECTION_SUMMARY            	different treatments, timepoints, and biological replicates, the filtration
CO:COLLECTION_SUMMARY            	setups were triple rinsed with MiliQ water, rinsed with 10% HCl, and then triple
CO:COLLECTION_SUMMARY            	rinsed again with MiliQ water. After filtration, samples were wrapped in
CO:COLLECTION_SUMMARY            	combusted foil and flash frozen in liquid nitrogen before storage at -80˚C
CO:COLLECTION_SUMMARY            	until analysis. Sample volumes ranged from 50–300 mL to account for variations
CO:COLLECTION_SUMMARY            	in biomass throughout the experiment and filtration times ranged from 5–15
CO:COLLECTION_SUMMARY            	minutes.
CO:SAMPLE_TYPE                   	Bacterial cells
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	Three biological replicates (Replicates A, B, and C) of Prochlorococcus MED4 and
TR:TREATMENT_SUMMARY             	associated heterotrophic bacteria were inoculated with 3 different levels of the
TR:TREATMENT_SUMMARY             	virus P-SSP7 at the beginning of the experiment. The treatments were as follows:
TR:TREATMENT_SUMMARY             	Control (C), no virus added; Low Virus (LV), viruses added in a 1:0.001
TR:TREATMENT_SUMMARY             	host:virus ratio; and High Virus (HV), viruses add in a 1:0.7 host:virus ratio.
TR:TREATMENT_SUMMARY             	The experiment was run for 48 hours with samples collected at timepoints
TR:TREATMENT_SUMMARY             	(timepoint_h) of 0, 12, 24, 36, and 48 hours for the LV and HV treatments and 0,
TR:TREATMENT_SUMMARY             	6, 12, 18, 24, 30, 36, 42, 48 hours for the C treatment.
#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 50:50 methanol:water. All aqueous
SP:SAMPLEPREP_SUMMARY            	rinses were combined for each sample and dried down under N2 gas. The remaining
SP:SAMPLEPREP_SUMMARY            	organic layer was transferred into a clean glass centrifuge tube and the
SP:SAMPLEPREP_SUMMARY            	remaining bead beating tube was rinsed two more times with cold organic solvent.
SP:SAMPLEPREP_SUMMARY            	The combined organic rinses were centrifuged, transferred to a new tube, and
SP:SAMPLEPREP_SUMMARY            	dried under N2 gas. Dried aqueous fractions were re-dissolved in 380 µL of
SP:SAMPLEPREP_SUMMARY            	water. Dried organic fractions were re-dissolved in 380 µL of 1:1
SP:SAMPLEPREP_SUMMARY            	water:acetonitrile. 20 µL of isotope-labeled injection standards in water were
SP:SAMPLEPREP_SUMMARY            	added to both fractions. Blank filters were extracted alongside samples as
SP:SAMPLEPREP_SUMMARY            	methodological blanks.
SP:PROCESSING_STORAGE_CONDITIONS 	On ice
SP:EXTRACT_STORAGE               	-80℃
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Waters Acquity
CH:COLUMN_NAME                   	SeQuant ZIC- pHILIC (150 x 2.1mm,5um)
CH:SOLVENT_A                     	85% acetonitrile/15% water; 10 mM ammonium carbonate
CH:SOLVENT_B                     	60% water/40% acetonitrile; 10 mM ammonium carbonate
CH:FLOW_GRADIENT                 	The column was held at 100% A for 2 minutes, ramped to 100% B over 18 minutes,
CH:FLOW_GRADIENT                 	held at 100% B for 5 minutes, and equilibrated at 100% A for 25 minutes (50
CH:FLOW_GRADIENT                 	minutes total).
CH:FLOW_RATE                     	0.15 mL/min
CH:COLUMN_TEMPERATURE            	30 C
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive HF hybrid Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	MS acquisition Comments: Polarity switching was used with a scan range of 60 to
MS:MS_COMMENTS                   	900 m/z and a resolution of 60,000. A DDA method was used with a scan range of
MS:MS_COMMENTS                   	60 to 900 m/z. Data processing Comments: Data was processed as in Boysen and
MS:MS_COMMENTS                   	Heal et al. 2018 (DOI: 10.1021/acs.analchem.7b04400). Analytical Chemistry.
MS:MS_COMMENTS                   	Software/procedures used for feature assignments: Peaks were integrated using
MS:MS_COMMENTS                   	Skyline. Data was processed using quality control and best-matched internal
MS:MS_COMMENTS                   	standard normalization. MS parameters were as follows: capillary temperature was
MS:MS_COMMENTS                   	320C, the H-ESI spray voltage was 3.5 kV, and the auxiliary gas heater
MS:MS_COMMENTS                   	temperature was 90C. The S-lens RF level was 65. Sheath gas, auxiliary gas, and
MS:MS_COMMENTS                   	sweep gas flow rates were maintained at 16, 3, and 1, respectively.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	nmol/L
MS_METABOLITE_DATA_START
Samples	A_C_0	A_C_12	A_C_18	A_C_24	A_C_30	A_C_36	A_C_42	A_C_48	A_C_6	A_LV_0	A_LV_12	A_LV_24	A_LV_36	A_LV_48	A_HV_0	A_HV_12	A_HV_24	A_HV_36	A_HV_48	B_C_0	B_C_12	B_C_18	B_C_24	B_C_30	B_C_36	B_C_42	B_C_48	B_C_6	B_LV_0	B_LV_12	B_LV_24	B_LV_36	B_LV_48	B_HV_0	B_HV_12	B_HV_24	B_HV_36	B_HV_48	C_C_0	C_C_12	C_C_18	C_C_24	C_C_30	C_C_36	C_C_42	C_C_48	C_C_6	C_LV_0	C_LV_12	C_LV_24	C_LV_36	C_LV_48	C_HV_0	C_HV_12	C_HV_24	C_HV_36	C_HV_48
Factors	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:0	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:12	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:18	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:24	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:30	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:36	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:42	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:48	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:6	Sample source:Marine Microbe Culture | Treatment:LV | Timepoint_h:0	Sample source:Marine Microbe Culture | Treatment:LV | Timepoint_h:12	Sample source:Marine Microbe Culture | Treatment:LV | Timepoint_h:24	Sample source:Marine Microbe Culture | Treatment:LV | Timepoint_h:36	Sample source:Marine Microbe Culture | Treatment:LV | Timepoint_h:48	Sample source:Marine Microbe Culture | Treatment:HV | Timepoint_h:0	Sample source:Marine Microbe Culture | Treatment:HV | Timepoint_h:12	Sample source:Marine Microbe Culture | Treatment:HV | Timepoint_h:24	Sample source:Marine Microbe Culture | Treatment:HV | Timepoint_h:36	Sample source:Marine Microbe Culture | Treatment:HV | Timepoint_h:48	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:0	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:12	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:18	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:24	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:30	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:36	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:42	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:48	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:6	Sample source:Marine Microbe Culture | Treatment:LV | Timepoint_h:0	Sample source:Marine Microbe Culture | Treatment:LV | Timepoint_h:12	Sample source:Marine Microbe Culture | Treatment:LV | Timepoint_h:24	Sample source:Marine Microbe Culture | Treatment:LV | Timepoint_h:36	Sample source:Marine Microbe Culture | Treatment:LV | Timepoint_h:48	Sample source:Marine Microbe Culture | Treatment:HV | Timepoint_h:0	Sample source:Marine Microbe Culture | Treatment:HV | Timepoint_h:12	Sample source:Marine Microbe Culture | Treatment:HV | Timepoint_h:24	Sample source:Marine Microbe Culture | Treatment:HV | Timepoint_h:36	Sample source:Marine Microbe Culture | Treatment:HV | Timepoint_h:48	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:0	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:12	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:18	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:24	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:30	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:36	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:42	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:48	Sample source:Marine Microbe Culture | Treatment:C | Timepoint_h:6	Sample source:Marine Microbe Culture | Treatment:LV | Timepoint_h:0	Sample source:Marine Microbe Culture | Treatment:LV | Timepoint_h:12	Sample source:Marine Microbe Culture | Treatment:LV | Timepoint_h:24	Sample source:Marine Microbe Culture | Treatment:LV | Timepoint_h:36	Sample source:Marine Microbe Culture | Treatment:LV | Timepoint_h:48	Sample source:Marine Microbe Culture | Treatment:HV | Timepoint_h:0	Sample source:Marine Microbe Culture | Treatment:HV | Timepoint_h:12	Sample source:Marine Microbe Culture | Treatment:HV | Timepoint_h:24	Sample source:Marine Microbe Culture | Treatment:HV | Timepoint_h:36	Sample source:Marine Microbe Culture | Treatment:HV | Timepoint_h:48
Uridine	0.92347368049549206	1.3934042409410972	1.2169394372586562	3.2000862761051985	1.6100783181295626	5.713614960888796	2.666018149959043	6.702934525899653	0.8676987984635867	0.5414311428838249	0.9922430228677588	4.0598195961954255	8.069575463856767	5.58906320907463	0.6246502896682127	1.7738051310836227	1.3113202544675993	6.7546794208053536	4.3445403843966135	1.0314731954022596	2.09312754118045	1.4354047691899188	1.9430966490856845	1.6940511468397246	8.84759888286665	3.535757817457591	6.621895774071209	1.606884545603009	0.7496917263861775	2.558082752455271	2.9750249167475675	10.908484914021042	6.688712156803815	0.6263024217441332	1.5192441207907004	0.952605563685301	4.7425717830576835	4.935621382682822	1.343418878121784	2.4925245225361534	2.9830383823596467	2.2617567143119492	0.7458967019862538	6.690554221564081	4.983352151790522	5.34776724262779	2.5219640886095185	1.6919280139669588	2.625758872943764	2.2310063707641445	7.556734365061127	3.6116224158405537	1.9429617605869307	2.916767602433659	2.1348756323583604	1.7515336083872473	2.24225232129704
D-Fructose 6-phosphate	0.1501708576106862	1.083545416744078	0.39392623182143904	2.3029376547364233	1.2989634480702663	5.842758794193015	0.9725844000565512	3.2400881907033368	0.1963660271980368	NA	0.363496032071502	2.5967692751669644	3.399081846409506	2.6787303632811073	0.15773804313264475	0.5790024081561994	1.146842913030412	2.244698149738988	0.7593704181366175	NA	2.0239906029291874	0.7479267255386961	2.429890595899603	2.2545765153801063	5.58838783256324	NA	3.9385418514768937	0.415914937577275	NA	1.9971733991651768	2.530356864550435	2.7122988328721096	3.8991385659963087	0.4113331956187301	0.8487006776588197	1.0106929778693288	1.5039854563453234	1.398168519134107	0.18782704933247735	1.7863218779426182	2.8497125042626714	2.3095376174712556	2.166304869774523	5.917056228370734	1.7305154079036658	4.692154628455498	0.5997024989861948	0.2081676683864697	2.0049264133171034	2.265954711001892	4.856888662550775	4.488666185899031	0.5553016419078753	1.1852332801591243	1.977783247857904	0.8691905688909829	0.21569677427113973
Inosine	0.10990534541744156	0.1548983942920154	0.1934758760595838	0.7478168728154526	0.3021984402319803	1.1082041975512449	0.8529472579293547	2.954642753723317	0.11172961696757372	0.08411791380453859	0.04547406642385906	0.6461433075008541	2.9564126389936605	3.4105201436466785	0.1119563754719513	0.21414080593641607	0.4184738886948248	2.106121035510312	3.2323043103734297	0.09252402779689388	0.242423241052467	0.47439514970474345	0.3005021158784252	0.41611129591943963	3.7348340934452393	1.0434480951538516	2.47062268568946	0.2118377816741839	0.13825616763827106	0.33457109101762483	0.5968008048397484	3.901276686362018	1.6894335257044093	0.0847912159980051	0.24523953090982148	0.37213836339360024	2.127119038076703	2.6457433415188873	0.11990905136544408	0.49484774530358727	0.6628059376515979	0.3690125102220467	0.1219425343705137	2.4994484395053713	2.2432220206011064	2.072932499411424	0.5279665300311837	0.20451732113706209	0.7396537693048413	0.3198743902780411	3.1545531204337176	2.878575687940956	0.34090176759383206	1.3858693181499742	0.7801916312666239	0.25227551606285437	0.706265150792148
Sucrose	34.383738279525176	155.03123377052705	150.92379650711734	61.09592131962575	126.26446049188964	238.37911464030688	266.13311325985944	82.38142201800659	63.38030264134671	24.836273329147925	75.3200549634175	62.016438871628296	177.88606876938618	11.711455361949008	25.70770809254805	73.18097420804148	10.305824233251672	0.9992919102118856	NA	23.42429046597656	99.33935598945736	138.0419060937063	81.99929289463068	153.7292301184596	278.17090469378047	313.26809600882063	103.1334042269147	60.61669937994609	24.626286514915616	100.32389791957046	81.8922615371983	114.95289478195998	3.578090124364869	25.23074758193575	59.64468067662377	8.519744781587484	1.1275740425151497	2.2519012010990953	37.11247315578598	200.08154079449147	179.65784026920178	82.9258850815284	151.95953970945757	292.1361433801937	301.8450922119171	77.99383071638604	67.22586895331492	33.03391238236805	198.68820688293647	77.21049046272275	132.6175459009366	NA	43.82046807550904	122.49741647000644	5.8441973176834585	NA	NA
UDP-N-acetylglucosamine	0.5744563733155773	1.326511543010663	0.0865141388597879	0.9249427500568428	1.2716297227874964	0.9456386319176416	0.1898495795639171	2.234795128850819	0.4048056806934472	0.305179770549985	0.46634847885333286	0.9638542490881892	1.057924342009799	0.33407198208377037	0.1480603684002358	0.44494262094749626	0.19917388289127727	0.09870560341192756	0.09470694225875512	0.02190614148022093	0.3004443047445256	0.09426629590596408	0.7894185467245095	1.5539667771985108	0.9521795075182384	0.33919663824876495	1.3928477107285462	0.4223464954632024	0.04911934969753729	0.27431901323838764	0.8302343658678467	0.43257429918829576	0.4041988135389856	0.04116940946949257	0.1622598907439418	0.306947119588442	0.24117571473001972	0.13722184539933022	0.3841421626092905	1.146819096358296	0.205034375641923	1.3886395777580782	1.8086609946544137	1.1210877679333475	0.4378447866447403	1.7594200722941935	0.17989842824906072	0.33163243623496386	1.1502870300561523	1.2394888034029357	0.7731543456497245	3.1620096051725937	0.719131367712611	0.43929941021682783	0.30731711941687595	0.10697039898197096	0.0746927356721126
2-Ketoglutaric acid	1.9800383044806693	2.328967056135461	1.6124604264513644	3.761441400822627	2.606171693487118	2.691793325678384	3.7509388176418015	7.196188205479826	1.6139304032842596	2.005077959031681	1.8535645555470952	8.420390286091308	4.119797550989127	5.200863270097184	1.617436656243042	1.6158715159350705	1.3655373155554242	12.75215204781947	7.851658752013821	1.5652851859838426	2.674317210279402	2.1013982367671997	3.671628213242856	3.2601878721414024	6.710685766794053	1.8992265199642384	5.746648556059064	2.4803412012271093	2.513054679157963	2.432831205518778	3.970838098219691	5.954206588843305	12.412677923040723	0.7313380202932487	1.8313093951560204	1.978849611250272	5.81057738814215	9.500321087393232	1.7118034568717593	7.978065599817322	3.171940460458779	3.1812309015654376	5.343820328643479	5.521694262597016	7.385737593486861	13.662791308112984	2.01226780802767	1.4387951524852256	7.739472740429337	7.708583408003527	4.931995815539799	0.8374238592782921	1.6849014491699388	3.7703800448618088	3.9977070741049694	1.7576329847011969	2.036791176404411
D-Gluconic acid	0.03368531292347682	0.05401219503713808	0.1175462711902978	0.14628832586535134	0.06950984877826324	0.26832880101160744	0.13307958887300317	0.21980842044470683	0.079563254334774125	0.08309524740264378	0.0657702445796691	0.2334111425673758	0.3531142566093258	0.27571436342527894	0.05889606563866031	0.06240398439914874	0.06084948976644355	0.4682419646163171	0.2507921545025823	0.05355223703780953	0.15210235732801147	0.13406351055057963	0.12842416591308736	0.15648331094875464	0.12255174909834313	0.05717022880621403	0.2033429789930828	0.0725557778675462	0.0701613684802699	0.16914043833698433	0.160723303180247	0.6752851069291782	0.6879429483175745	0.02785744239742752	0.11411750279874162	0.07372651502509138	0.2858621008783668	0.16385305088636049	0.06958852088298187	0.1249414985515138	0.20674310951295852	0.16668641389431135	0.09209398777969945	0.3020053714975499	0.2146332349195086	0.34948030961718085	0.05820315837684181	0.04285429405957014	0.09369531067109592	0.1820356232771552	0.42991043151854114	0.01288423555017777	0.06830329280681675	0.11102178235420591	0.13878638350234532	0.08290553875467428	0.04821163985867793
Cysteic acid	0.1564439920193809	0.1880122382999806	0.16313777633106055	0.1596100669141458	0.11074227990423004	0.22533402983265424	0.21257316681711147	0.2729187735471341	0.10923858142652214	0.10570556868398576	0.072929711340868	0.2968552557858164	0.26665890944436726	0.5872520013651205	0.13390166339474058	0.1155175506608776	0.22714457820513784	0.8110135921128003	0.9384377798515354	0.1826055302357412	0.10061631949035953	0.13803467355219476	0.1716730367690805	0.1271233050970983	0.25023616223337564	0.25455922300906964	0.3647364107312678	0.06489755255350178	0.2125372680564338	0.06846800991369602	0.18290003571539912	0.393942652579061	1.14120513552091	0.07481992362346854	0.10632928369611704	0.37072429418353703	0.387143866369772	2.629681058567377	0.19561968874943247	0.36022205121437467	0.18475859954360477	0.24595582471606212	0.32391763304883414	0.3656259704191419	0.26361673329122226	0.7126118810346922	0.14157285467089942	0.1481023891337531	0.5053529304650407	0.49401774340515614	0.38149878076339766	0.6649657181147692	0.2478826889766263	0.2293485107891489	0.4392649199359184	0.3042730227170415	0.4163987350544011
N-Acetyl-glutamic acid	0.5390958187834354	1.4967359429709148	0.9978570745982516	0.8327310888899607	1.0997985942363238	2.400426279655139	2.045797425337394	2.424358112187989	0.6191369751423951	0.6253988736237268	0.489547202115486	0.7115942923565539	2.5763336451588525	1.0931822267734672	0.543151910768044	0.425211331536495	0.6113735968757241	0.3291883612481593	0.22169565504113864	0.4625225808417347	0.6226327013986634	0.8221852117979845	0.9820934891328176	1.349250111564589	1.2834724558004056	2.1890326244940197	5.3053162414838795	0.7118525019945491	0.6822297555767709	0.548199861359428	1.427036630927763	1.327824907873677	1.208320465284528	0.5999689593323597	0.5124307268833009	0.6759931357607378	0.3806253935686928	0.16930184706132248	0.9480045873495844	1.3192594406306115	1.1146473495335554	2.386408641036938	1.6325863721300695	2.384620346934041	2.660391990914299	3.0226869116014763	0.7674895925303984	0.9525348694711632	1.3532556892037946	2.2447188611809574	1.6675946640387902	0.33233774440698644	1.5511992974922175	1.1205455728430809	0.7858163766069776	0.4173375675593516	0.14415411563363548
Taurine	0.06186467366238014	0.07066007469963582	0.01223732401445761	0.02072135988161545	0.05921775755391101	1.054909969619617	0.02871863734717487	0.04311105481913759	0.11334554878803502	0.04261791914876512	0.07065701417593724	0.05597882882018733	0.05807387915550529	0.1865659137577002	0.0127210660987261	0.06296367624677748	3.1507351945101347	0.16349113779753302	0.16613495985009763	0.05756172254456003	0.18172721852407225	0.08765325713940163	0.02427930555177018	0.01431439752246871	0.05247066701936772	3.472516726711271	0.02665310936002609	0.17816209124357224	0.03256199211023992	0.5534023778411271	0.01593377835483942	0.0456514755347301	0.30157455770841907	0.00787898712713148	0.05547237817860877	0.4192603246138336	21.549706772755975	0.528742706995691	0.06616805017632774	0.1921701999222524	0.02154470382173036	0.06459098492222397	0.21547705532757044	21.968380458026424	0.06668460782309744	0.15988887442385538	0.03536721388029987	0.06084148250750949	0.3135097711351257	0.16664184109857008	0.7689779867299006	3.1395096419849224	0.11767388160311013	0.07026562028988247	0.19828658907114127	0.4074613129665731	0.20902763036571895
Thymine	1.0184186341263852	NA	NA	1.5361449533954363	NA	2.420320345821671	1.2082344883817593	1.5430524208877536	NA	NA	NA	1.5648533466775156	7.754622966472021	3.5610547006822917	NA	1.5930501225416236	1.4591196877063508	5.722577531774363	4.92324362037654	NA	1.8173193134963876	NA	1.356028117642152	NA	2.173735807193757	1.6705078473593138	1.3654758864866416	NA	NA	NA	1.615457054272382	10.160026331187227	5.070780997867711	NA	1.857574303179455	0.8932613192678049	4.753640871740136	5.023225425298115	2.778502375579355	2.31386852345758	1.407220278102021	0.794903261098098	1.209758870188654	2.113599752861533	1.7135786014632617	2.4314870160968094	NA	1.1075519020001177	1.805111437408209	1.2363366016408004	10.2798304054623	1.0451349556378808	1.1541883336921963	3.1405844549169335	2.54479392908139	2.192248858927442	2.1499607939324146
Adenosine monophosphate	0.4637861016023338	0.9607308492323632	0.8895170045223088	1.4804822949368028	1.4486833544780826	4.150125038794266	2.840792483242857	3.5449736007132246	0.6230881085485767	0.4768211692496613	0.8039432010049742	3.2168429818651494	3.001665731231626	0.26621360162901697	0.4104450443172641	0.22625838976591325	0.06463018405530951	0.07713783142021029	0.3837098364838725	0.26986959414668105	1.1482576475309492	0.8202139853766545	1.5197866169892795	2.3173318778721765	3.396331819105027	NA	3.433525810872803	0.7415669057010563	0.4626542244419167	1.209412872062023	1.7643821078296449	0.03226185846561906	1.341680425017589	0.427118754127734	0.10021624187965554	0.29827861726742977	0.18693227045072797	0.8480146535676802	0.47434990300340474	2.487230848188074	1.116138342985222	2.6633890917390333	7.012119802983491	3.549636254032624	1.0495441156738845	8.239839341777534	0.1860992720660087	0.33094338723837435	2.676876573371022	5.958312076099635	1.6291189248495388	17.345072127068228	0.8311916930100034	0.8030170763796057	0.22148017760039407	0.08776420887770629	0.1702337268266455
Trehalose	NA	1.2504659555891415	1.554230946738479	0.7426896808734378	0.718034970457443	1.221574654230034	2.2633885851415227	0.9284110386447316	NA	NA	0.6398440160841398	0.7238668232595298	1.6382746920179323	3.787017863614558	NA	1.6655486420529324	0.9538491694247369	3.1427273569702106	1.3835501858644097	NA	1.2988634604331957	0.6797162917565697	0.8444316562308585	1.5462883276710742	2.241803261973778	2.5346452596638116	1.032879090337952	0.7420255074171991	NA	1.2278974772932048	0.8036725618268958	3.015925280397572	8.553905580296062	NA	1.336629579943715	1.4596038924205217	7.0247200521413085	2.5614902229903396	NA	1.3206193944349387	1.0901394140682334	0.7527319968952608	0.8858562279773057	2.1488092008619404	1.2898792975288311	1.1977470548778828	0.5940784326204478	NA	1.531921913996965	0.8296624212514688	2.385348632314233	1.0065100242846423	NA	1.6157001925576728	1.7490771643642768	3.0309356665864855	1.1901353904304
Taurine, 2H4	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Threonic acid	NA	0.1716478819974516	NA	NA	0.16265110857314813	0.3120376880792869	0.26085930389777545	0.14351149200171215	NA	NA	NA	0.11549572575422898	0.23149453084084096	NA	NA	NA	NA	0.19500450192563865	0.14018043188558876	NA	NA	NA	0.14601389434904996	0.207151616015273	0.1935207961953946	NA	0.2079481362740691	NA	NA	NA	NA	0.36015241640380213	0.384149024339215	NA	NA	NA	0.13584313570993198	0.29913666355351803	NA	0.36948682583552056	NA	0.18248535652641829	0.35979729451651243	0.2198080303753226	0.2026755670342798	0.21895372024430332	NA	NA	0.3999553470214118	0.13581960236305543	0.17372139990654498	5.699375548464072	NA	NA	0.11320005550590384	NA	0.07764667407915261
Thymidine	NA	NA	NA	0.7275628737625619	NA	0.7230776858145168	NA	0.6075949052373286	NA	NA	0.8981410128120715	0.6151300902963337	2.417771084011435	1.496646654494609	1.0040717213827364	0.5529218145671962	0.6346312016647838	2.0302637085332376	1.9784189429440224	NA	NA	NA	0.6028234171131008	1.1640029582535176	1.0067947700403754	NA	0.6810929523359749	NA	NA	NA	0.5311316035966229	3.223407949636933	1.688201247330714	0.5809612233707222	NA	0.3379316813950374	2.50065437801219	1.5577578197208577	2.3898942775753342	0.8113635313498135	1.3889818240108056	0.7108719590532512	0.6386761475728097	0.8143024933684603	0.6765077668376003	0.8149985093430151	NA	NA	1.0932251362957048	0.5517264825482704	4.024215756308093	0.4014687287672388	0.9097692396426464	1.269615556226206	1.0271773682973422	0.957609261882556	0.6759605435311098
Succinic acid	NA	NA	NA	108.79873961469455	NA	NA	NA	NA	NA	NA	NA	7.875736789035394	5.882062751639056	551.0296653781934	NA	NA	NA	9.723178138433674	NA	NA	NA	NA	705.1858114294143	NA	4.097533972233222	NA	NA	NA	NA	NA	NA	6.455067468281711	7.562228133584151	NA	NA	NA	12257.320268606874	12155.273601575853	NA	NA	NA	3748.36851748586	5978.324464041355	NA	NA	13.080502409469451	NA	NA	169.98659480082037	14441.260684626292	NA	204.33765159250416	NA	NA	NA	NA	NA
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	mz	RT_minute	PubChem_Code	KEGG_Code
Uridine	243.061713	6.02	6029	cpd:C00299
D-Fructose 6-phosphate	259.021897	13.51	NA	cpd:C00085
Inosine	267.072946	7.57	135398641	cpd:C00294
Sucrose	341.10839	11.93	5988	cpd:C00089
UDP-N-acetylglucosamine	606.073753	12.75	NA	cpd:C00043
2-Ketoglutaric acid	145.0137	10.845	NA	cpd:C00026
D-Gluconic acid	195.05048	10.79	NA	cpd:C00257
Cysteic acid	167.996671	12.15	72886	cpd:C00506
N-Acetyl-glutamic acid	188.055899	11.84	70914	cpd:C00624
Taurine	124.006841	11.13	1123	cpd:C00245
Thymine	125.035103	3.02	1135	cpd:C00178
Adenosine monophosphate	346.055262	11.585	6083	cpd:C00020
Trehalose	341.10839	13	7427	cpd:C01083
Taurine, 2H4	128.0325	10	NA	NA
Threonic acid	135.02935	10.37	151152	cpd:C01620
Thymidine	241.082448	3.27	5789	cpd:C00214
Succinic acid	117.018785	11.9	1110	cpd:C00042
METABOLITES_END
#END