#METABOLOMICS WORKBENCH katherine_heal_20251106_111613 DATATRACK_ID:6630 STUDY_ID:ST004352 ANALYSIS_ID:AN007266 PROJECT_ID:PR002738
VERSION             	1
CREATED_ON             	November 11, 2025, 9:09 am
#PROJECT
PR:PROJECT_TITLE                 	Conserved pathway for homarine catabolism in environmental bacteria
PR:PROJECT_SUMMARY               	Homarine (N-methylpicolinic acid) is a ubiquitous marine metabolite produced by
PR:PROJECT_SUMMARY               	phytoplankton and noted for its bioactivity in marine animals, yet its microbial
PR:PROJECT_SUMMARY               	degradation pathways are uncharacterized. Here, we identify a conserved operon
PR:PROJECT_SUMMARY               	(homABCDER) that mediates homarine catabolism in bacteria using comparative
PR:PROJECT_SUMMARY               	transcriptomics, mutagenesis, and targeted knockouts. Phylogenetic and genomic
PR:PROJECT_SUMMARY               	analyses show this operon distributed across abundant bacterial clades,
PR:PROJECT_SUMMARY               	including coastal copiotrophs (e.g., Rhodobacterales) and open-ocean oligotrophs
PR:PROJECT_SUMMARY               	(e.g., SAR11, SAR116). High-resolution mass spectrometry revealed
PR:PROJECT_SUMMARY               	N-methylglutamic acid and glutamic acid as key metabolic products of homarine in
PR:PROJECT_SUMMARY               	both model and natural systems, with N-methylglutamate dehydrogenase catalyzing
PR:PROJECT_SUMMARY               	their conversion. Metatranscriptomics showed responsive and in situ expression
PR:PROJECT_SUMMARY               	of hom genes aligned with homarine availability. These findings uncover the
PR:PROJECT_SUMMARY               	genetic and metabolic basis of homarine degradation, establish its ecological
PR:PROJECT_SUMMARY               	relevance, and highlight homarine as a versatile growth substrate that feeds
PR:PROJECT_SUMMARY               	into central metabolism via glutamic acid in diverse marine bacteria.
PR:INSTITUTE                     	University of Washington, School of Oceanography
PR:LAST_NAME                     	Heal
PR:FIRST_NAME                    	Katherine
PR:ADDRESS                       	1501 NE Boat Street, Marine Science Building, Room G, Seattle
PR:EMAIL                         	katherine.heal@pnnl.gov
PR:PHONE                         	612-616-4840
PR:PUBLICATIONS                  	DOI 10.21203/rs.3.rs-7359689/v1
#STUDY
ST:STUDY_TITLE                   	Homarine catabolism: Isotope-tracing metabolomics experiments for cruise TN397
ST:STUDY_SUMMARY                 	Stable-isotope probing was performed to track homarine degradation products in
ST:STUDY_SUMMARY                 	natural marine microbial communities from three locations (Figure 2D of DOI
ST:STUDY_SUMMARY                 	10.21203/rs.3.rs-7359689/v1). Seawater incubated with isotopically-labeled
ST:STUDY_SUMMARY                 	2H3-homarine was analyzed for the compounds enriched in our model organisms (see
ST:STUDY_SUMMARY                 	other studies within this project), with the isotopic labels.
ST:INSTITUTE                     	University of Washington, School of Oceanography
ST:LAST_NAME                     	Heal
ST:FIRST_NAME                    	Katherine
ST:ADDRESS                       	1501 NE Boat Street, Marine Science Building, Room G, Seattle
ST:EMAIL                         	katherine.heal@pnnl.gov
ST:PHONE                         	612-616-4840
ST:STUDY_COMMENTS                	Part of project 6620
ST:PUBLICATIONS                  	DOI 10.21203/rs.3.rs-7359689/v1
#SUBJECT
SU:SUBJECT_TYPE                  	Water sample
#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           	-	230724_Smp_G4_1_C-H_t0_A	Sample source:Filtered Cells | treatment:Control | timepoint:0 | lat_collected:27.0673 | lon_collected:-126.6739 | date_collected:20211123	experiment_id=G4_1; RAW_FILE_NAME(raw_file_name)=230724_Smp_G4_1_C-H_t0_A.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Smp_G4_1_C-H_t0_B	Sample source:Filtered Cells | treatment:Control | timepoint:0 | lat_collected:27.0673 | lon_collected:-126.6739 | date_collected:20211123	experiment_id=G4_1; RAW_FILE_NAME(raw_file_name)=230724_Smp_G4_1_C-H_t0_B.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Smp_G4_1_C-H_t0_C	Sample source:Filtered Cells | treatment:Control | timepoint:0 | lat_collected:27.0673 | lon_collected:-126.6739 | date_collected:20211123	experiment_id=G4_1; RAW_FILE_NAME(raw_file_name)=230724_Smp_G4_1_C-H_t0_C.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Smp_G4_1_C-H_t2_A	Sample source:Filtered Cells | treatment:Control | timepoint:2 | lat_collected:27.0673 | lon_collected:-126.6739 | date_collected:20211123	experiment_id=G4_1; RAW_FILE_NAME(raw_file_name)=230724_Smp_G4_1_C-H_t2_A.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Smp_G4_1_C-H_t2_B	Sample source:Filtered Cells | treatment:Control | timepoint:2 | lat_collected:27.0673 | lon_collected:-126.6739 | date_collected:20211123	experiment_id=G4_1; RAW_FILE_NAME(raw_file_name)=230724_Smp_G4_1_C-H_t2_B.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Smp_G4_1_C-H_t2_C	Sample source:Filtered Cells | treatment:Control | timepoint:2 | lat_collected:27.0673 | lon_collected:-126.6739 | date_collected:20211123	experiment_id=G4_1; RAW_FILE_NAME(raw_file_name)=230724_Smp_G4_1_C-H_t2_C.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Smp_G4_1_C-H_t24_A	Sample source:Filtered Cells | treatment:Control | timepoint:24 | lat_collected:27.0673 | lon_collected:-126.6739 | date_collected:20211123	experiment_id=G4_1; RAW_FILE_NAME(raw_file_name)=230724_Smp_G4_1_C-H_t24_A.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Smp_G4_1_C-H_t24_B	Sample source:Filtered Cells | treatment:Control | timepoint:24 | lat_collected:27.0673 | lon_collected:-126.6739 | date_collected:20211123	experiment_id=G4_1; RAW_FILE_NAME(raw_file_name)=230724_Smp_G4_1_C-H_t24_B.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Smp_G4_1_C-H_t24_C	Sample source:Filtered Cells | treatment:Control | timepoint:24 | lat_collected:27.0673 | lon_collected:-126.6739 | date_collected:20211123	experiment_id=G4_1; RAW_FILE_NAME(raw_file_name)=230724_Smp_G4_1_C-H_t24_C.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Smp_G4_1_C-H_t48_A	Sample source:Filtered Cells | treatment:Control | timepoint:48 | lat_collected:27.0673 | lon_collected:-126.6739 | date_collected:20211123	experiment_id=G4_1; RAW_FILE_NAME(raw_file_name)=230724_Smp_G4_1_C-H_t48_A.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Smp_G4_1_C-H_t48_B	Sample source:Filtered Cells | treatment:Control | timepoint:48 | lat_collected:27.0673 | lon_collected:-126.6739 | date_collected:20211123	experiment_id=G4_1; RAW_FILE_NAME(raw_file_name)=230724_Smp_G4_1_C-H_t48_B.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Smp_G4_1_C-H_t48_C	Sample source:Filtered Cells | treatment:Control | timepoint:48 | lat_collected:27.0673 | lon_collected:-126.6739 | date_collected:20211123	experiment_id=G4_1; RAW_FILE_NAME(raw_file_name)=230724_Smp_G4_1_C-H_t48_C.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Smp_G4_1_H_t2_A	Sample source:Filtered Cells | treatment:Homarine (2H3-labelled) | timepoint:2 | lat_collected:27.0673 | lon_collected:-126.6739 | date_collected:20211123	experiment_id=G4_1; RAW_FILE_NAME(raw_file_name)=230724_Smp_G4_1_H_t2_A.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Smp_G4_1_H_t2_B	Sample source:Filtered Cells | treatment:Homarine (2H3-labelled) | timepoint:2 | lat_collected:27.0673 | lon_collected:-126.6739 | date_collected:20211123	experiment_id=G4_1; RAW_FILE_NAME(raw_file_name)=230724_Smp_G4_1_H_t2_B.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Smp_G4_1_H_t2_C	Sample source:Filtered Cells | treatment:Homarine (2H3-labelled) | timepoint:2 | lat_collected:27.0673 | lon_collected:-126.6739 | date_collected:20211123	experiment_id=G4_1; RAW_FILE_NAME(raw_file_name)=230724_Smp_G4_1_H_t2_C.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Smp_G4_1_H_t24_A	Sample source:Filtered Cells | treatment:Homarine (2H3-labelled) | timepoint:24 | lat_collected:27.0673 | lon_collected:-126.6739 | date_collected:20211123	experiment_id=G4_1; RAW_FILE_NAME(raw_file_name)=230724_Smp_G4_1_H_t24_A.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Smp_G4_1_H_t24_B	Sample source:Filtered Cells | treatment:Homarine (2H3-labelled) | timepoint:24 | lat_collected:27.0673 | lon_collected:-126.6739 | date_collected:20211123	experiment_id=G4_1; RAW_FILE_NAME(raw_file_name)=230724_Smp_G4_1_H_t24_B.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Smp_G4_1_H_t24_C	Sample source:Filtered Cells | treatment:Homarine (2H3-labelled) | timepoint:24 | lat_collected:27.0673 | lon_collected:-126.6739 | date_collected:20211123	experiment_id=G4_1; RAW_FILE_NAME(raw_file_name)=230724_Smp_G4_1_H_t24_C.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Smp_G4_1_H_t48_A	Sample source:Filtered Cells | treatment:Homarine (2H3-labelled) | timepoint:48 | lat_collected:27.0673 | lon_collected:-126.6739 | date_collected:20211123	experiment_id=G4_1; RAW_FILE_NAME(raw_file_name)=230724_Smp_G4_1_H_t48_A.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Smp_G4_1_H_t48_B	Sample source:Filtered Cells | treatment:Homarine (2H3-labelled) | timepoint:48 | lat_collected:27.0673 | lon_collected:-126.6739 | date_collected:20211123	experiment_id=G4_1; RAW_FILE_NAME(raw_file_name)=230724_Smp_G4_1_H_t48_B.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Smp_G4_1_H_t48_C	Sample source:Filtered Cells | treatment:Homarine (2H3-labelled) | timepoint:48 | lat_collected:27.0673 | lon_collected:-126.6739 | date_collected:20211123	experiment_id=G4_1; RAW_FILE_NAME(raw_file_name)=230724_Smp_G4_1_H_t48_C.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Smp_G4_2_C-H_t0_A	Sample source:Filtered Cells | treatment:Control | timepoint:0 | lat_collected:0.1812 | lon_collected:-141.9465 | date_collected:20211208	experiment_id=G4_2; RAW_FILE_NAME(raw_file_name)=230724_Smp_G4_2_C-H_t0_A.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Smp_G4_2_C-H_t0_B	Sample source:Filtered Cells | treatment:Control | timepoint:0 | lat_collected:0.1812 | lon_collected:-141.9465 | date_collected:20211208	experiment_id=G4_2; RAW_FILE_NAME(raw_file_name)=230724_Smp_G4_2_C-H_t0_B.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Smp_G4_2_C-H_t0_C	Sample source:Filtered Cells | treatment:Control | timepoint:0 | lat_collected:0.1812 | lon_collected:-141.9465 | date_collected:20211208	experiment_id=G4_2; RAW_FILE_NAME(raw_file_name)=230724_Smp_G4_2_C-H_t0_C.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Smp_G4_2_C-H_t2_A	Sample source:Filtered Cells | treatment:Control | timepoint:2 | lat_collected:0.1812 | lon_collected:-141.9465 | date_collected:20211208	experiment_id=G4_2; RAW_FILE_NAME(raw_file_name)=230724_Smp_G4_2_C-H_t2_A.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Smp_G4_2_C-H_t2_B	Sample source:Filtered Cells | treatment:Control | timepoint:2 | lat_collected:0.1812 | lon_collected:-141.9465 | date_collected:20211208	experiment_id=G4_2; RAW_FILE_NAME(raw_file_name)=230724_Smp_G4_2_C-H_t2_B.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Smp_G4_2_C-H_t2_C	Sample source:Filtered Cells | treatment:Control | timepoint:2 | lat_collected:0.1812 | lon_collected:-141.9465 | date_collected:20211208	experiment_id=G4_2; RAW_FILE_NAME(raw_file_name)=230724_Smp_G4_2_C-H_t2_C.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Smp_G4_2_C-H_t24_A	Sample source:Filtered Cells | treatment:Control | timepoint:24 | lat_collected:0.1812 | lon_collected:-141.9465 | date_collected:20211208	experiment_id=G4_2; RAW_FILE_NAME(raw_file_name)=230724_Smp_G4_2_C-H_t24_A.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Smp_G4_2_C-H_t24_B	Sample source:Filtered Cells | treatment:Control | timepoint:24 | lat_collected:0.1812 | lon_collected:-141.9465 | date_collected:20211208	experiment_id=G4_2; RAW_FILE_NAME(raw_file_name)=230724_Smp_G4_2_C-H_t24_B.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Smp_G4_2_C-H_t24_C	Sample source:Filtered Cells | treatment:Control | timepoint:24 | lat_collected:0.1812 | lon_collected:-141.9465 | date_collected:20211208	experiment_id=G4_2; RAW_FILE_NAME(raw_file_name)=230724_Smp_G4_2_C-H_t24_C.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Smp_G4_2_C-H_t48_A	Sample source:Filtered Cells | treatment:Control | timepoint:48 | lat_collected:0.1812 | lon_collected:-141.9465 | date_collected:20211208	experiment_id=G4_2; RAW_FILE_NAME(raw_file_name)=230724_Smp_G4_2_C-H_t48_A.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Smp_G4_2_C-H_t48_B	Sample source:Filtered Cells | treatment:Control | timepoint:48 | lat_collected:0.1812 | lon_collected:-141.9465 | date_collected:20211208	experiment_id=G4_2; RAW_FILE_NAME(raw_file_name)=230724_Smp_G4_2_C-H_t48_B.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Smp_G4_2_C-H_t48_C	Sample source:Filtered Cells | treatment:Control | timepoint:48 | lat_collected:0.1812 | lon_collected:-141.9465 | date_collected:20211208	experiment_id=G4_2; RAW_FILE_NAME(raw_file_name)=230724_Smp_G4_2_C-H_t48_C.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Smp_G4_2_H_t2_A	Sample source:Filtered Cells | treatment:Homarine (2H3-labelled) | timepoint:2 | lat_collected:0.1812 | lon_collected:-141.9465 | date_collected:20211208	experiment_id=G4_2; RAW_FILE_NAME(raw_file_name)=230724_Smp_G4_2_H_t2_A.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Smp_G4_2_H_t2_B	Sample source:Filtered Cells | treatment:Homarine (2H3-labelled) | timepoint:2 | lat_collected:0.1812 | lon_collected:-141.9465 | date_collected:20211208	experiment_id=G4_2; RAW_FILE_NAME(raw_file_name)=230724_Smp_G4_2_H_t2_B.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Smp_G4_2_H_t2_C	Sample source:Filtered Cells | treatment:Homarine (2H3-labelled) | timepoint:2 | lat_collected:0.1812 | lon_collected:-141.9465 | date_collected:20211208	experiment_id=G4_2; RAW_FILE_NAME(raw_file_name)=230724_Smp_G4_2_H_t2_C.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Smp_G4_2_H_t24_A	Sample source:Filtered Cells | treatment:Homarine (2H3-labelled) | timepoint:24 | lat_collected:0.1812 | lon_collected:-141.9465 | date_collected:20211208	experiment_id=G4_2; RAW_FILE_NAME(raw_file_name)=230724_Smp_G4_2_H_t24_A.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Smp_G4_2_H_t24_B	Sample source:Filtered Cells | treatment:Homarine (2H3-labelled) | timepoint:24 | lat_collected:0.1812 | lon_collected:-141.9465 | date_collected:20211208	experiment_id=G4_2; RAW_FILE_NAME(raw_file_name)=230724_Smp_G4_2_H_t24_B.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Smp_G4_2_H_t24_C	Sample source:Filtered Cells | treatment:Homarine (2H3-labelled) | timepoint:24 | lat_collected:0.1812 | lon_collected:-141.9465 | date_collected:20211208	experiment_id=G4_2; RAW_FILE_NAME(raw_file_name)=230724_Smp_G4_2_H_t24_C.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Smp_G4_2_H_t48_A	Sample source:Filtered Cells | treatment:Homarine (2H3-labelled) | timepoint:48 | lat_collected:0.1812 | lon_collected:-141.9465 | date_collected:20211208	experiment_id=G4_2; RAW_FILE_NAME(raw_file_name)=230724_Smp_G4_2_H_t48_A.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Smp_G4_2_H_t48_B	Sample source:Filtered Cells | treatment:Homarine (2H3-labelled) | timepoint:48 | lat_collected:0.1812 | lon_collected:-141.9465 | date_collected:20211208	experiment_id=G4_2; RAW_FILE_NAME(raw_file_name)=230724_Smp_G4_2_H_t48_B.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Smp_G4_2_H_t48_C	Sample source:Filtered Cells | treatment:Homarine (2H3-labelled) | timepoint:48 | lat_collected:0.1812 | lon_collected:-141.9465 | date_collected:20211208	experiment_id=G4_2; RAW_FILE_NAME(raw_file_name)=230724_Smp_G4_2_H_t48_C.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Poo_G4-MethylHomFate_DDAneg20	Sample source:QC | treatment:N/A | timepoint:N/A | lat_collected:N/A | lon_collected:N/A | date_collected:N/A	experiment_id=N/A; RAW_FILE_NAME(raw_file_name)=230724_Poo_G4-MethylHomFate_DDAneg20.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Poo_G4-MethylHomFate_DDAneg35	Sample source:QC | treatment:N/A | timepoint:N/A | lat_collected:N/A | lon_collected:N/A | date_collected:N/A	experiment_id=N/A; RAW_FILE_NAME(raw_file_name)=230724_Poo_G4-MethylHomFate_DDAneg35.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Poo_G4-MethylHomFate_DDAneg50	Sample source:QC | treatment:N/A | timepoint:N/A | lat_collected:N/A | lon_collected:N/A | date_collected:N/A	experiment_id=N/A; RAW_FILE_NAME(raw_file_name)=230724_Poo_G4-MethylHomFate_DDAneg50.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Poo_G4-MethylHomFate_DDApos20	Sample source:QC | treatment:N/A | timepoint:N/A | lat_collected:N/A | lon_collected:N/A | date_collected:N/A	experiment_id=N/A; RAW_FILE_NAME(raw_file_name)=230724_Poo_G4-MethylHomFate_DDApos20.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Poo_G4-MethylHomFate_DDApos35	Sample source:QC | treatment:N/A | timepoint:N/A | lat_collected:N/A | lon_collected:N/A | date_collected:N/A	experiment_id=N/A; RAW_FILE_NAME(raw_file_name)=230724_Poo_G4-MethylHomFate_DDApos35.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Poo_G4-MethylHomFate_DDApos50	Sample source:QC | treatment:N/A | timepoint:N/A | lat_collected:N/A | lon_collected:N/A | date_collected:N/A	experiment_id=N/A; RAW_FILE_NAME(raw_file_name)=230724_Poo_G4-MethylHomFate_DDApos50.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Poo_G4-MethylHomFate_Full1	Sample source:QC | treatment:N/A | timepoint:N/A | lat_collected:N/A | lon_collected:N/A | date_collected:N/A	experiment_id=N/A; RAW_FILE_NAME(raw_file_name)=230724_Poo_G4-MethylHomFate_Full1.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Poo_G4-MethylHomFate_Full10	Sample source:QC | treatment:N/A | timepoint:N/A | lat_collected:N/A | lon_collected:N/A | date_collected:N/A	experiment_id=N/A; RAW_FILE_NAME(raw_file_name)=230724_Poo_G4-MethylHomFate_Full10.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Poo_G4-MethylHomFate_Full11	Sample source:QC | treatment:N/A | timepoint:N/A | lat_collected:N/A | lon_collected:N/A | date_collected:N/A	experiment_id=N/A; RAW_FILE_NAME(raw_file_name)=230724_Poo_G4-MethylHomFate_Full11.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Poo_G4-MethylHomFate_Full12	Sample source:QC | treatment:N/A | timepoint:N/A | lat_collected:N/A | lon_collected:N/A | date_collected:N/A	experiment_id=N/A; RAW_FILE_NAME(raw_file_name)=230724_Poo_G4-MethylHomFate_Full12.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Poo_G4-MethylHomFate_Full13	Sample source:QC | treatment:N/A | timepoint:N/A | lat_collected:N/A | lon_collected:N/A | date_collected:N/A	experiment_id=N/A; RAW_FILE_NAME(raw_file_name)=230724_Poo_G4-MethylHomFate_Full13.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Poo_G4-MethylHomFate_Full14	Sample source:QC | treatment:N/A | timepoint:N/A | lat_collected:N/A | lon_collected:N/A | date_collected:N/A	experiment_id=N/A; RAW_FILE_NAME(raw_file_name)=230724_Poo_G4-MethylHomFate_Full14.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Poo_G4-MethylHomFate_Full2	Sample source:QC | treatment:N/A | timepoint:N/A | lat_collected:N/A | lon_collected:N/A | date_collected:N/A	experiment_id=N/A; RAW_FILE_NAME(raw_file_name)=230724_Poo_G4-MethylHomFate_Full2.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Poo_G4-MethylHomFate_Full3	Sample source:QC | treatment:N/A | timepoint:N/A | lat_collected:N/A | lon_collected:N/A | date_collected:N/A	experiment_id=N/A; RAW_FILE_NAME(raw_file_name)=230724_Poo_G4-MethylHomFate_Full3.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Poo_G4-MethylHomFate_Full4	Sample source:QC | treatment:N/A | timepoint:N/A | lat_collected:N/A | lon_collected:N/A | date_collected:N/A	experiment_id=N/A; RAW_FILE_NAME(raw_file_name)=230724_Poo_G4-MethylHomFate_Full4.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Poo_G4-MethylHomFate_Full5	Sample source:QC | treatment:N/A | timepoint:N/A | lat_collected:N/A | lon_collected:N/A | date_collected:N/A	experiment_id=N/A; RAW_FILE_NAME(raw_file_name)=230724_Poo_G4-MethylHomFate_Full5.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Poo_G4-MethylHomFate_Full6	Sample source:QC | treatment:N/A | timepoint:N/A | lat_collected:N/A | lon_collected:N/A | date_collected:N/A	experiment_id=N/A; RAW_FILE_NAME(raw_file_name)=230724_Poo_G4-MethylHomFate_Full6.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Poo_G4-MethylHomFate_Full7	Sample source:QC | treatment:N/A | timepoint:N/A | lat_collected:N/A | lon_collected:N/A | date_collected:N/A	experiment_id=N/A; RAW_FILE_NAME(raw_file_name)=230724_Poo_G4-MethylHomFate_Full7.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Poo_G4-MethylHomFate_Full8	Sample source:QC | treatment:N/A | timepoint:N/A | lat_collected:N/A | lon_collected:N/A | date_collected:N/A	experiment_id=N/A; RAW_FILE_NAME(raw_file_name)=230724_Poo_G4-MethylHomFate_Full8.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Poo_G4-MethylHomFate_Full9	Sample source:QC | treatment:N/A | timepoint:N/A | lat_collected:N/A | lon_collected:N/A | date_collected:N/A	experiment_id=N/A; RAW_FILE_NAME(raw_file_name)=230724_Poo_G4-MethylHomFate_Full9.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Std_4uMStdsMix1InH2O_1	Sample source:Standards | treatment:N/A | timepoint:N/A | lat_collected:N/A | lon_collected:N/A | date_collected:N/A	experiment_id=N/A; RAW_FILE_NAME(raw_file_name)=230724_Std_4uMStdsMix1InH2O_1.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Std_4uMStdsMix1InH2O_2	Sample source:Standards | treatment:N/A | timepoint:N/A | lat_collected:N/A | lon_collected:N/A | date_collected:N/A	experiment_id=N/A; RAW_FILE_NAME(raw_file_name)=230724_Std_4uMStdsMix1InH2O_2.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Std_4uMStdsMix1InH2O_3	Sample source:Standards | treatment:N/A | timepoint:N/A | lat_collected:N/A | lon_collected:N/A | date_collected:N/A	experiment_id=N/A; RAW_FILE_NAME(raw_file_name)=230724_Std_4uMStdsMix1InH2O_3.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Std_4uMStdsMix1InH2O_4	Sample source:Standards | treatment:N/A | timepoint:N/A | lat_collected:N/A | lon_collected:N/A | date_collected:N/A	experiment_id=N/A; RAW_FILE_NAME(raw_file_name)=230724_Std_4uMStdsMix1InH2O_4.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Std_4uMStdsMix1InH2O_5	Sample source:Standards | treatment:N/A | timepoint:N/A | lat_collected:N/A | lon_collected:N/A | date_collected:N/A	experiment_id=N/A; RAW_FILE_NAME(raw_file_name)=230724_Std_4uMStdsMix1InH2O_5.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Std_4uMStdsMix1InH2O_6	Sample source:Standards | treatment:N/A | timepoint:N/A | lat_collected:N/A | lon_collected:N/A | date_collected:N/A	experiment_id=N/A; RAW_FILE_NAME(raw_file_name)=230724_Std_4uMStdsMix1InH2O_6.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Std_4uMStdsMix2InH2O_1	Sample source:Standards | treatment:N/A | timepoint:N/A | lat_collected:N/A | lon_collected:N/A | date_collected:N/A	experiment_id=N/A; RAW_FILE_NAME(raw_file_name)=230724_Std_4uMStdsMix2InH2O_1.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Std_4uMStdsMix2InH2O_2	Sample source:Standards | treatment:N/A | timepoint:N/A | lat_collected:N/A | lon_collected:N/A | date_collected:N/A	experiment_id=N/A; RAW_FILE_NAME(raw_file_name)=230724_Std_4uMStdsMix2InH2O_2.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Std_4uMStdsMix2InH2O_3	Sample source:Standards | treatment:N/A | timepoint:N/A | lat_collected:N/A | lon_collected:N/A | date_collected:N/A	experiment_id=N/A; RAW_FILE_NAME(raw_file_name)=230724_Std_4uMStdsMix2InH2O_3.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Std_4uMStdsMix2InH2O_4	Sample source:Standards | treatment:N/A | timepoint:N/A | lat_collected:N/A | lon_collected:N/A | date_collected:N/A	experiment_id=N/A; RAW_FILE_NAME(raw_file_name)=230724_Std_4uMStdsMix2InH2O_4.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Std_4uMStdsMix2InH2O_5	Sample source:Standards | treatment:N/A | timepoint:N/A | lat_collected:N/A | lon_collected:N/A | date_collected:N/A	experiment_id=N/A; RAW_FILE_NAME(raw_file_name)=230724_Std_4uMStdsMix2InH2O_5.mzML
SUBJECT_SAMPLE_FACTORS           	-	230724_Std_4uMStdsMix2InH2O_6	Sample source:Standards | treatment:N/A | timepoint:N/A | lat_collected:N/A | lon_collected:N/A | date_collected:N/A	experiment_id=N/A; RAW_FILE_NAME(raw_file_name)=230724_Std_4uMStdsMix2InH2O_6.mzML
#COLLECTION
CO:COLLECTION_SUMMARY            	Experiments using 2H3-homarine were performed on research cruise TN397 in the
CO:COLLECTION_SUMMARY            	Fall of 2021 at two different stations in the North Pacific (described in Table
CO:COLLECTION_SUMMARY            	S8 and displayed in Figure 2 of 10.21203/rs.3.rs-7359689/v1). 2H3-homarine was
CO:COLLECTION_SUMMARY            	purchased from Toronto Research Chemicals and was injected onto a Q-Exactive HF
CO:COLLECTION_SUMMARY            	Orbitrap Mass Spectrometer (QE-HF) to confirm the mass of the deuterium label
CO:COLLECTION_SUMMARY            	(141.0743 m/z) and the retention time (6.4 minutes, same as non-labeled
CO:COLLECTION_SUMMARY            	homarine). Seawater was collected into 21 acid washed 10 L polycarbonate carboys
CO:COLLECTION_SUMMARY            	from a trace metal clean stayfish system suspended at a depth of 8 m and
CO:COLLECTION_SUMMARY            	prefiltered through 100 µm nylon mesh. Three unamended samples were collected
CO:COLLECTION_SUMMARY            	immediately after seawater collection to provide samples of the starting
CO:COLLECTION_SUMMARY            	community. Nine treatment bottles were spiked with 500 nM 2H3-homarine with nine
CO:COLLECTION_SUMMARY            	control bottles receiving no additions. Bottles were incubated in blue-shaded
CO:COLLECTION_SUMMARY            	temperature and light-controlled incubators designed to mimic mixed-layer
CO:COLLECTION_SUMMARY            	conditions of the sampling location. Triplicate bottles with and without
CO:COLLECTION_SUMMARY            	homarine addition were harvested at 2, 24, and 48 hours. All particulate samples
CO:COLLECTION_SUMMARY            	(4 L) were collected using peristaltic pumps onto Durapore® 0.22 μm, 47 mm,
CO:COLLECTION_SUMMARY            	hydrophilic PVDF membrane filters, flash frozen in liquid nitrogen, and stored
CO:COLLECTION_SUMMARY            	at -80°C.
CO:SAMPLE_TYPE                   	Marine particulate matter
#TREATMENT
TR:TREATMENT_SUMMARY             	Nine treatment bottles were spiked with 500 nM 2H3-homarine with nine control
TR:TREATMENT_SUMMARY             	bottles receiving no additions. Bottles were incubated in blue-shaded
TR:TREATMENT_SUMMARY             	temperature and light-controlled incubators designed to mimic mixed-layer
TR:TREATMENT_SUMMARY             	conditions of the sampling location. Triplicate bottles with and without
TR:TREATMENT_SUMMARY             	homarine addition were harvested at 2, 24, and 48 hours. The experiment was
TR:TREATMENT_SUMMARY             	repeated with the same treatments at a second location.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	For particulate metabolomics, cell pellets were extracted using a combination of
SP:SAMPLEPREP_SUMMARY            	mechanical and chemical disruption techniques as described in previous work
SP:SAMPLEPREP_SUMMARY            	(Boysen et al 2018). Metabolites from the supernatant were extracted using a
SP:SAMPLEPREP_SUMMARY            	cation-exchange-based solid phase extraction technique as described previously
SP:SAMPLEPREP_SUMMARY            	(Sacks et al 2022), with 1 mL of supernatant diluted into 10 mL of HPLC grade
SP:SAMPLEPREP_SUMMARY            	water. To prevent confusion using the isotope labels, we used a subset of
SP:SAMPLEPREP_SUMMARY            	isotopically-labeled internal standards, as reported in Table S17 of
SP:SAMPLEPREP_SUMMARY            	https://doi.org/10.21203/rs.3.rs-7359689/v1.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	For HILIC chromatography, a SeQuant ZIC-pHILIC column (5 um particle size, 2.1
CH:CHROMATOGRAPHY_SUMMARY        	mm x 150 mm, from Millipore) was used with 10 mM ammonium carbonate in 85:15
CH:CHROMATOGRAPHY_SUMMARY        	acetonitrile to water (Solvent A) and 10 mM ammonium carbonate in 85:15 water to
CH:CHROMATOGRAPHY_SUMMARY        	acetonitrile (Solvent B) at a flow rate of 0.15 mL/min. This column was compared
CH:CHROMATOGRAPHY_SUMMARY        	with a Waters UPLC BEH amide and a Millipore cHILIC column; the pHILIC showed
CH:CHROMATOGRAPHY_SUMMARY        	superior reproducibility and peak shapes. The column was held at 100% A for 2
CH:CHROMATOGRAPHY_SUMMARY        	minutes, ramped to 64% B over 18 minutes, ramped to 100% B over 1 minute, held
CH:CHROMATOGRAPHY_SUMMARY        	at 100% B for 5 minutes, and equilibrated at 100% A for 25 minutes (50 minutes
CH:CHROMATOGRAPHY_SUMMARY        	total). The column was maintained at 30 C. The injection volume was 2 µL for
CH:CHROMATOGRAPHY_SUMMARY        	samples and standard mixes. When starting a batch, the column was equilibrated
CH:CHROMATOGRAPHY_SUMMARY        	at the starting conditions for at least 30 minutes. To improve the performance
CH:CHROMATOGRAPHY_SUMMARY        	of the HILIC column, we maintained the same injection volume, kept the
CH:CHROMATOGRAPHY_SUMMARY        	instrument running water blanks between samples as necessary, and injected
CH:CHROMATOGRAPHY_SUMMARY        	standards in a representative matrix in addition to standards in water. After
CH:CHROMATOGRAPHY_SUMMARY        	each batch, the column was flushed with 10 mM ammonium carbonate in 85:15 water
CH:CHROMATOGRAPHY_SUMMARY        	to acetonitrile for 20 to 30 minutes.
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Waters Acquity I-Class
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                     	15% acetonitrile/85% water; 10 mM ammonium carbonate
CH:FLOW_GRADIENT                 	The column was held at 100% A for 2 minutes, ramped to 64% B over 18 minutes,
CH:FLOW_GRADIENT                 	ramped to 100% B over 1 minute, held at 100% B for 5 minutes, and equilibrated
CH:FLOW_GRADIENT                 	at 100% A for 25 minutes
CH:FLOW_RATE                     	0.15 mL/min
CH:COLUMN_TEMPERATURE            	30
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive HF-X 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. MS parameters were as follows: capillary
MS:MS_COMMENTS                   	temperature was 320 ∞C, the H-ESI spray voltage was 3.3 kV, and the auxiliary
MS:MS_COMMENTS                   	gas heater temperature was 100 ∞C. The S-lens RF level was 65. Sheath gas,
MS:MS_COMMENTS                   	auxiliary gas, and sweep gas flow rates were maintained at 16, 3, and 1,
MS:MS_COMMENTS                   	respectively.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	normalized peak area
MS_METABOLITE_DATA_START
Samples	230724_Smp_G4_1_C-H_t0_A	230724_Smp_G4_1_C-H_t0_B	230724_Smp_G4_1_C-H_t0_C	230724_Smp_G4_1_C-H_t2_A	230724_Smp_G4_1_C-H_t2_B	230724_Smp_G4_1_C-H_t2_C	230724_Smp_G4_1_C-H_t24_A	230724_Smp_G4_1_C-H_t24_B	230724_Smp_G4_1_C-H_t24_C	230724_Smp_G4_1_C-H_t48_A	230724_Smp_G4_1_C-H_t48_B	230724_Smp_G4_1_C-H_t48_C	230724_Smp_G4_1_H_t2_A	230724_Smp_G4_1_H_t2_B	230724_Smp_G4_1_H_t2_C	230724_Smp_G4_1_H_t24_A	230724_Smp_G4_1_H_t24_B	230724_Smp_G4_1_H_t24_C	230724_Smp_G4_1_H_t48_A	230724_Smp_G4_1_H_t48_B	230724_Smp_G4_1_H_t48_C	230724_Smp_G4_2_C-H_t0_A	230724_Smp_G4_2_C-H_t0_B	230724_Smp_G4_2_C-H_t0_C	230724_Smp_G4_2_C-H_t2_A	230724_Smp_G4_2_C-H_t2_B	230724_Smp_G4_2_C-H_t2_C	230724_Smp_G4_2_C-H_t24_A	230724_Smp_G4_2_C-H_t24_B	230724_Smp_G4_2_C-H_t24_C	230724_Smp_G4_2_C-H_t48_A	230724_Smp_G4_2_C-H_t48_B	230724_Smp_G4_2_C-H_t48_C	230724_Smp_G4_2_H_t2_A	230724_Smp_G4_2_H_t2_B	230724_Smp_G4_2_H_t2_C	230724_Smp_G4_2_H_t24_A	230724_Smp_G4_2_H_t24_B	230724_Smp_G4_2_H_t24_C	230724_Smp_G4_2_H_t48_A	230724_Smp_G4_2_H_t48_B	230724_Smp_G4_2_H_t48_C
Factors	Sample source:Filtered Cells | treatment:Control | timepoint:0 | lat_collected:27.0673 | lon_collected:-126.6739 | date_collected:20211123	Sample source:Filtered Cells | treatment:Control | timepoint:0 | lat_collected:27.0673 | lon_collected:-126.6739 | date_collected:20211123	Sample source:Filtered Cells | treatment:Control | timepoint:0 | lat_collected:27.0673 | lon_collected:-126.6739 | date_collected:20211123	Sample source:Filtered Cells | treatment:Control | timepoint:2 | lat_collected:27.0673 | lon_collected:-126.6739 | date_collected:20211123	Sample source:Filtered Cells | treatment:Control | timepoint:2 | lat_collected:27.0673 | lon_collected:-126.6739 | date_collected:20211123	Sample source:Filtered Cells | treatment:Control | timepoint:2 | lat_collected:27.0673 | lon_collected:-126.6739 | date_collected:20211123	Sample source:Filtered Cells | treatment:Control | timepoint:24 | lat_collected:27.0673 | lon_collected:-126.6739 | date_collected:20211123	Sample source:Filtered Cells | treatment:Control | timepoint:24 | lat_collected:27.0673 | lon_collected:-126.6739 | date_collected:20211123	Sample source:Filtered Cells | treatment:Control | timepoint:24 | lat_collected:27.0673 | lon_collected:-126.6739 | date_collected:20211123	Sample source:Filtered Cells | treatment:Control | timepoint:48 | lat_collected:27.0673 | lon_collected:-126.6739 | date_collected:20211123	Sample source:Filtered Cells | treatment:Control | timepoint:48 | lat_collected:27.0673 | lon_collected:-126.6739 | date_collected:20211123	Sample source:Filtered Cells | treatment:Control | timepoint:48 | lat_collected:27.0673 | lon_collected:-126.6739 | date_collected:20211123	Sample source:Filtered Cells | treatment:Homarine (2H3-labelled) | timepoint:2 | lat_collected:27.0673 | lon_collected:-126.6739 | date_collected:20211123	Sample source:Filtered Cells | treatment:Homarine (2H3-labelled) | timepoint:2 | lat_collected:27.0673 | lon_collected:-126.6739 | date_collected:20211123	Sample source:Filtered Cells | treatment:Homarine (2H3-labelled) | timepoint:2 | lat_collected:27.0673 | lon_collected:-126.6739 | date_collected:20211123	Sample source:Filtered Cells | treatment:Homarine (2H3-labelled) | timepoint:24 | lat_collected:27.0673 | lon_collected:-126.6739 | date_collected:20211123	Sample source:Filtered Cells | treatment:Homarine (2H3-labelled) | timepoint:24 | lat_collected:27.0673 | lon_collected:-126.6739 | date_collected:20211123	Sample source:Filtered Cells | treatment:Homarine (2H3-labelled) | timepoint:24 | lat_collected:27.0673 | lon_collected:-126.6739 | date_collected:20211123	Sample source:Filtered Cells | treatment:Homarine (2H3-labelled) | timepoint:48 | lat_collected:27.0673 | lon_collected:-126.6739 | date_collected:20211123	Sample source:Filtered Cells | treatment:Homarine (2H3-labelled) | timepoint:48 | lat_collected:27.0673 | lon_collected:-126.6739 | date_collected:20211123	Sample source:Filtered Cells | treatment:Homarine (2H3-labelled) | timepoint:48 | lat_collected:27.0673 | lon_collected:-126.6739 | date_collected:20211123	Sample source:Filtered Cells | treatment:Control | timepoint:0 | lat_collected:0.1812 | lon_collected:-141.9465 | date_collected:20211208	Sample source:Filtered Cells | treatment:Control | timepoint:0 | lat_collected:0.1812 | lon_collected:-141.9465 | date_collected:20211208	Sample source:Filtered Cells | treatment:Control | timepoint:0 | lat_collected:0.1812 | lon_collected:-141.9465 | date_collected:20211208	Sample source:Filtered Cells | treatment:Control | timepoint:2 | lat_collected:0.1812 | lon_collected:-141.9465 | date_collected:20211208	Sample source:Filtered Cells | treatment:Control | timepoint:2 | lat_collected:0.1812 | lon_collected:-141.9465 | date_collected:20211208	Sample source:Filtered Cells | treatment:Control | timepoint:2 | lat_collected:0.1812 | lon_collected:-141.9465 | date_collected:20211208	Sample source:Filtered Cells | treatment:Control | timepoint:24 | lat_collected:0.1812 | lon_collected:-141.9465 | date_collected:20211208	Sample source:Filtered Cells | treatment:Control | timepoint:24 | lat_collected:0.1812 | lon_collected:-141.9465 | date_collected:20211208	Sample source:Filtered Cells | treatment:Control | timepoint:24 | lat_collected:0.1812 | lon_collected:-141.9465 | date_collected:20211208	Sample source:Filtered Cells | treatment:Control | timepoint:48 | lat_collected:0.1812 | lon_collected:-141.9465 | date_collected:20211208	Sample source:Filtered Cells | treatment:Control | timepoint:48 | lat_collected:0.1812 | lon_collected:-141.9465 | date_collected:20211208	Sample source:Filtered Cells | treatment:Control | timepoint:48 | lat_collected:0.1812 | lon_collected:-141.9465 | date_collected:20211208	Sample source:Filtered Cells | treatment:Homarine (2H3-labelled) | timepoint:2 | lat_collected:0.1812 | lon_collected:-141.9465 | date_collected:20211208	Sample source:Filtered Cells | treatment:Homarine (2H3-labelled) | timepoint:2 | lat_collected:0.1812 | lon_collected:-141.9465 | date_collected:20211208	Sample source:Filtered Cells | treatment:Homarine (2H3-labelled) | timepoint:2 | lat_collected:0.1812 | lon_collected:-141.9465 | date_collected:20211208	Sample source:Filtered Cells | treatment:Homarine (2H3-labelled) | timepoint:24 | lat_collected:0.1812 | lon_collected:-141.9465 | date_collected:20211208	Sample source:Filtered Cells | treatment:Homarine (2H3-labelled) | timepoint:24 | lat_collected:0.1812 | lon_collected:-141.9465 | date_collected:20211208	Sample source:Filtered Cells | treatment:Homarine (2H3-labelled) | timepoint:24 | lat_collected:0.1812 | lon_collected:-141.9465 | date_collected:20211208	Sample source:Filtered Cells | treatment:Homarine (2H3-labelled) | timepoint:48 | lat_collected:0.1812 | lon_collected:-141.9465 | date_collected:20211208	Sample source:Filtered Cells | treatment:Homarine (2H3-labelled) | timepoint:48 | lat_collected:0.1812 | lon_collected:-141.9465 | date_collected:20211208	Sample source:Filtered Cells | treatment:Homarine (2H3-labelled) | timepoint:48 | lat_collected:0.1812 | lon_collected:-141.9465 | date_collected:20211208
UDP-N-acetylglucosamine	47390	144040	40632	86567		43450														79056		216530	199671	232584	624135	429910	619025	379460	550804	459559	663950	755529	550079	626461	562127	604609	327069	466075	564500	620984	791100	373312
L-Cysteic acid		74340	43684			69331		71383	48072	97496		68196	142124	89607	73055	125895	178838	129767	52071	202613	73696	958714	914160	844601	992792	904234	838837	1767737	1878656	2328518	3663385	2862927	3357297	1193931	1303540	901808	1920775	1856256	1897580	6519472	5029075	2002001
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	molecule_id	stable_isotope_version	retention_time	mz
UDP-N-acetylglucosamine	UDP-N-acetylglucosamine		12.75	606.0738
L-Cysteic acid	Cysteic acid		12.15	167.9967
METABOLITES_END
#END