#METABOLOMICS WORKBENCH aboysen_20200323_214645_mwtab.txt DATATRACK_ID:1950 STUDY_ID:ST001356 ANALYSIS_ID:AN002258 PROJECT_ID:PR000926
VERSION 1
CREATED_ON April 10, 2020, 11:54 am
#PROJECT
PR:PROJECT_TITLE Diel Metabolites in the North Pacific Subtropical Gyre
PR:PROJECT_TYPE Marine Metabolomics
PR:PROJECT_SUMMARY Diverse organisms within the marine microbial communities show 24-hour cycles of
PR:PROJECT_SUMMARY gene expression, likely driven by the need to harness energy from sunlight and
PR:PROJECT_SUMMARY to cope with dramatic fluctuations in solar radiation over the course of the
PR:PROJECT_SUMMARY day. Metabolites are the direct product of metabolic activity; they are
PR:PROJECT_SUMMARY therefore expected to both reflect and influence the daily cycle of the
PR:PROJECT_SUMMARY microbial community. Here we measure the intracellular metabolome of the
PR:PROJECT_SUMMARY microbial community of the North Pacific Subtropical Gyre, sampled at 4-hour
PR:PROJECT_SUMMARY intervals for 8 days. Concentrations of some metabolites common to many
PR:PROJECT_SUMMARY organisms exhibit diel periodicity, revealing synchrony of community-level
PR:PROJECT_SUMMARY metabolism. Comparing these data to gene expression data reveals temporal
PR:PROJECT_SUMMARY offsets between gene transcription and cellular activity, and ties some
PR:PROJECT_SUMMARY metabolites to the activities of specific organisms. For example, the dramatic
PR:PROJECT_SUMMARY fluctuations of the disaccharide trehalose likely reflect the daily cycles of
PR:PROJECT_SUMMARY Crocosphaera, a photosynthesizing cyanobacteria that needs to store energy
PR:PROJECT_SUMMARY during the day to fuel nighttime nitrogen-fixation. This study illustrates how
PR:PROJECT_SUMMARY pairing multiple types of 'omics and environmental data can provide insight into
PR:PROJECT_SUMMARY how the activities of individual organisms lead to community functions such as
PR:PROJECT_SUMMARY net primary productivity and nitrogen fixation.
PR:INSTITUTE University of Washington
PR:DEPARTMENT School of Oceanography
PR:LABORATORY Ingalls Lab
PR:LAST_NAME Boysen
PR:FIRST_NAME Angela
PR:ADDRESS 1503 NE Boat Street, Box 357940, Seattle, WA, 98195, USA
PR:EMAIL aboysen@uw.edu
PR:PHONE 3037461944
PR:FUNDING_SOURCE Simons Foundation, NSF
#STUDY
ST:STUDY_TITLE Diel Metabolites in the North Pacific Subtropical Gyre (KM1513)
ST:STUDY_TYPE Diel metabolomics
ST:STUDY_SUMMARY Diverse organisms within the marine microbial communities show 24-hour cycles of
ST:STUDY_SUMMARY gene expression, likely driven by the need to harness energy from sunlight and
ST:STUDY_SUMMARY to cope with dramatic fluctuations in solar radiation over the course of the
ST:STUDY_SUMMARY day. Metabolites are the direct product of metabolic activity; they are
ST:STUDY_SUMMARY therefore expected to both reflect and influence the daily cycle of the
ST:STUDY_SUMMARY microbial community. Here we measure the intracellular metabolome of the
ST:STUDY_SUMMARY microbial community of the North Pacific Subtropical Gyre, sampled at 4-hour
ST:STUDY_SUMMARY intervals for 8 days. Concentrations of some metabolites common to many
ST:STUDY_SUMMARY organisms exhibit diel periodicity, revealing synchrony of community-level
ST:STUDY_SUMMARY metabolism. Comparing these data to gene expression data reveals temporal
ST:STUDY_SUMMARY offsets between gene transcription and cellular activity, and ties some
ST:STUDY_SUMMARY metabolites to the activities of specific organisms. For example, the dramatic
ST:STUDY_SUMMARY fluctuations of the disaccharide trehalose likely reflect the daily cycles of
ST:STUDY_SUMMARY {Crocosphaera}, a photosynthesizing cyanobacteria that needs to store energy
ST:STUDY_SUMMARY during the day to fuel nighttime nitrogen-fixation. This study illustrates how
ST:STUDY_SUMMARY pairing multiple types of 'omics and environmental data can provide insight into
ST:STUDY_SUMMARY how the activities of individual organisms lead to community functions such as
ST:STUDY_SUMMARY net primary productivity and nitrogen fixation.
ST:INSTITUTE University of Washington
ST:DEPARTMENT Oceanography
ST:LABORATORY Ingalls Lab
ST:LAST_NAME Boysen
ST:FIRST_NAME Angela
ST:ADDRESS 1502 NE Boat St
ST:EMAIL aboysen@uw.edu
ST:PHONE 3037461944
#SUBJECT
SU:SUBJECT_TYPE Other
SU:SUBJECT_SPECIES Ilyonectria mors-panacis;Ilyonectria rufa;Ilyonectria robusta;Ilyonectria torresensis;Ilyonectria estremocensis;Neonectria obtusispora
#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 1 S1R1 Time:600 | Station and Cast:S06C001 Replicate=1; Date=7/26/2019 0;00; Vol=3.9; Depth (m)=15; RAW_FILE_NAME=160627_Smp_1R1.mzXML 160701_Smp_1R1.mzXML 160627_Smp_1R1.raw 160701_Smp_1R1.raw 160701_Smp_1R1_DCM.raw
SUBJECT_SAMPLE_FACTORS 1 S1R2 Time:600 | Station and Cast:S06C001 Replicate=2; Date=7/26/2019 0;00; Vol=4.3; Depth (m)=15; RAW_FILE_NAME=160627_Smp_1R2.mzXML 160701_Smp_1R2.mzXML 160627_Smp_1R2.raw 160701_Smp_1R2.raw 160701_Smp_1R2_DCM.raw
SUBJECT_SAMPLE_FACTORS 1 S1R3 Time:600 | Station and Cast:S06C001 Replicate=3; Date=7/26/2019 0;00; Vol=3.6; Depth (m)=15; RAW_FILE_NAME=160627_Smp_1R3.mzXML 160701_Smp_1R3.mzXML 160627_Smp_1R3.raw 160701_Smp_1R3.raw 160701_Smp_1R3_DCM.raw
SUBJECT_SAMPLE_FACTORS 2 S2R1 Time:1000 | Station and Cast:S07C001 Replicate=1; Date=7/26/2019 0;00; Vol=3.1; Depth (m)=15; RAW_FILE_NAME=160627_Smp_2R2.mzXML 160701_Smp_2R2.mzXML 160627_Smp_2R1.raw 160701_Smp_2R1.raw 160701_Smp_2R1_DCM.raw
SUBJECT_SAMPLE_FACTORS 2 S2R2 Time:1000 | Station and Cast:S07C001 Replicate=2; Date=7/26/2019 0;00; Vol=4.15; Depth (m)=15; RAW_FILE_NAME=160627_Smp_2R2_real.mzXML 160701_Smp_2R2_160701235129.mzXML 160627_Smp_2R2.raw 160701_Smp_2R2.raw 160701_Smp_2R2_DCM.raw
SUBJECT_SAMPLE_FACTORS 2 S2R3 Time:1000 | Station and Cast:S07C001 Replicate=3; Date=7/26/2019 0;00; Vol=3; Depth (m)=15; RAW_FILE_NAME=160627_Smp_2R3.mzXML 160701_Smp_2R3.mzXML 160627_Smp_2R3.raw 160701_Smp_2R3.raw 160701_Smp_2R3_DCM.raw
SUBJECT_SAMPLE_FACTORS 3 S3R1 Time:1400 | Station and Cast:S08C001 Replicate=1; Date=7/26/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160627_Smp_3R1.mzXML 160701_Smp_3R1.mzXML 160627_Smp_3R1.raw 160701_Smp_3R1.raw 160701_Smp_3R1_DCM.raw
SUBJECT_SAMPLE_FACTORS 3 S3R2 Time:1400 | Station and Cast:S08C001 Replicate=2; Date=7/26/2019 0;00; Vol=3.4; Depth (m)=15; RAW_FILE_NAME=160627_Smp_3R2.mzXML 160701_Smp_3R2.mzXML 160627_Smp_3R2.raw 160701_Smp_3R2.raw 160701_Smp_3R2_DCM.raw
SUBJECT_SAMPLE_FACTORS 3 S3R3 Time:1400 | Station and Cast:S08C001 Replicate=3; Date=7/26/2019 0;00; Vol=3.4; Depth (m)=15; RAW_FILE_NAME=160627_Smp_3R3.mzXML 160701_Smp_3R3.mzXML 160627_Smp_3R3.raw 160701_Smp_3R3.raw 160701_Smp_3R3_DCM.raw
SUBJECT_SAMPLE_FACTORS 4 S4R1 Time:1800 | Station and Cast:S11C001 Replicate=1; Date=7/26/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160627_Smp_4R1.mzXML 160701_Smp_4R1.mzXML 160627_Smp_4R1.raw 160701_Smp_4R1.raw 160701_Smp_4R1_DCM.raw
SUBJECT_SAMPLE_FACTORS 4 S4R2 Time:1800 | Station and Cast:S11C001 Replicate=2; Date=7/26/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160627_Smp_4R2.mzXML 160701_Smp_4R2.mzXML 160627_Smp_4R2.raw 160701_Smp_4R2.raw 160701_Smp_4R2_DCM.raw
SUBJECT_SAMPLE_FACTORS 4 S4R3 Time:1800 | Station and Cast:S11C001 Replicate=3; Date=7/26/2019 0;00; Vol=3.4; Depth (m)=15; RAW_FILE_NAME=160627_Smp_4R3.mzXML 160701_Smp_4R3.mzXML 160627_Smp_4R3.raw 160701_Smp_4R3.raw 160701_Smp_4R3_DCM.raw
SUBJECT_SAMPLE_FACTORS 5 S5R1 Time:2200 | Station and Cast:S14C001 Replicate=1; Date=7/26/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160627_Smp_5R1.mzXML 160701_Smp_5R1.mzXML 160627_Smp_5R1.raw 160701_Smp_5R1.raw 160701_Smp_5R1_DCM.raw
SUBJECT_SAMPLE_FACTORS 5 S5R2 Time:2200 | Station and Cast:S14C001 Replicate=2; Date=7/26/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160627_Smp_5R2.mzXML 160701_Smp_5R2.mzXML 160627_Smp_5R2.raw 160701_Smp_5R2.raw 160701_Smp_5R2_DCM.raw
SUBJECT_SAMPLE_FACTORS 5 S5R3 Time:2200 | Station and Cast:S14C001 Replicate=3; Date=7/26/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160627_Smp_5R3.mzXML 160701_Smp_5R3.mzXML 160627_Smp_5R3.raw 160701_Smp_5R3.raw 160701_Smp_5R3_DCM.raw
SUBJECT_SAMPLE_FACTORS 6 S6R1 Time:200 | Station and Cast:S15C001 Replicate=1; Date=7/27/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160627_Smp_6R1.mzXML 160701_Smp_6R1.mzXML 160627_Smp_6R1.raw 160701_Smp_6R1.raw 160701_Smp_6R1_DCM.raw
SUBJECT_SAMPLE_FACTORS 6 S6R2 Time:200 | Station and Cast:S15C001 Replicate=2; Date=7/27/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160627_Smp_6R2.mzXML 160701_Smp_6R2.mzXML 160627_Smp_6R2.raw 160701_Smp_6R2.raw 160701_Smp_6R2_DCM.raw
SUBJECT_SAMPLE_FACTORS 6 S6R3 Time:200 | Station and Cast:S15C001 Replicate=3; Date=7/27/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160627_Smp_6R3.mzXML 160701_Smp_6R3.mzXML 160627_Smp_6R3.raw 160701_Smp_6R3.raw 160701_Smp_6R3_DCM.raw
SUBJECT_SAMPLE_FACTORS 7 S7R1 Time:600 | Station and Cast:S16C001 Replicate=1; Date=7/27/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160627_Smp_7R1.mzXML 160701_Smp_7R1.mzXML 160627_Smp_7R1.raw 160701_Smp_7R1.raw 160701_Smp_7R1_DCM.raw
SUBJECT_SAMPLE_FACTORS 7 S7R2 Time:600 | Station and Cast:S16C001 Replicate=2; Date=7/27/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160627_Smp_7R2.mzXML 160701_Smp_7R2.mzXML 160627_Smp_7R2.raw 160701_Smp_7R2.raw 160701_Smp_7R2_DCM.raw
SUBJECT_SAMPLE_FACTORS 7 S7R3 Time:600 | Station and Cast:S16C001 Replicate=3; Date=7/27/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160627_Smp_7R3.mzXML 160701_Smp_7R3.mzXML 160627_Smp_7R3.raw 160701_Smp_7R3.raw 160701_Smp_7R3_DCM.raw
SUBJECT_SAMPLE_FACTORS 8 S8R1 Time:1000 | Station and Cast:S17C001 Replicate=1; Date=7/27/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160627_Smp_8R1.mzXML 160701_Smp_8R1.mzXML 160627_Smp_8R1.raw 160701_Smp_8R1.raw 160701_Smp_8R1_DCM.raw
SUBJECT_SAMPLE_FACTORS 8 S8R2 Time:1000 | Station and Cast:S17C001 Replicate=2; Date=7/27/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160627_Smp_8R2.mzXML 160701_Smp_8R2.mzXML 160627_Smp_8R2.raw 160701_Smp_8R2.raw 160701_Smp_8R2_DCM.raw
SUBJECT_SAMPLE_FACTORS 8 S8R3 Time:1000 | Station and Cast:S17C001 Replicate=3; Date=7/27/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160627_Smp_8R3.mzXML 160701_Smp_8R3.mzXML 160627_Smp_8R3.raw 160701_Smp_8R3.raw 160701_Smp_8R3_DCM.raw
SUBJECT_SAMPLE_FACTORS 9 S9R1 Time:1400 | Station and Cast:S18C001 Replicate=1; Date=7/27/2019 0;00; Vol=2.8; Depth (m)=15; RAW_FILE_NAME=160627_Smp_9R1.mzXML 160701_Smp_9R1.mzXML 160627_Smp_9R1.raw 160701_Smp_9R1.raw 160701_Smp_9R1_DCM.raw
SUBJECT_SAMPLE_FACTORS 9 S9R2 Time:1400 | Station and Cast:S18C001 Replicate=2; Date=7/27/2019 0;00; Vol=2.6; Depth (m)=15; RAW_FILE_NAME=160627_Smp_9R2.mzXML 160701_Smp_9R2.mzXML 160627_Smp_9R2.raw 160701_Smp_9R2.raw 160701_Smp_9R2_DCM.raw
SUBJECT_SAMPLE_FACTORS 9 S9R3 Time:1400 | Station and Cast:S18C001 Replicate=3; Date=7/27/2019 0;00; Vol=2; Depth (m)=15; RAW_FILE_NAME=160627_Smp_9R3.mzXML 160701_Smp_9R3.mzXML 160627_Smp_9R3.raw 160701_Smp_9R3.raw 160701_Smp_9R3_DCM.raw
SUBJECT_SAMPLE_FACTORS 10 S10R1 Time:1800 | Station and Cast:S19C001 Replicate=1; Date=7/27/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160627_Smp_10R1.mzXML 160701_Smp_10R1.mzXML 160627_Smp_10R1.raw 160701_Smp_10R1.raw 160701_Smp_10R1_DCM.raw
SUBJECT_SAMPLE_FACTORS 10 S10R2 Time:1800 | Station and Cast:S19C001 Replicate=2; Date=7/27/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160627_Smp_10R2.mzXML 160701_Smp_10R2.mzXML 160627_Smp_10R2.raw 160701_Smp_10R2.raw 160701_Smp_10R2_DCM.raw
SUBJECT_SAMPLE_FACTORS 10 S10R3 Time:1800 | Station and Cast:S19C001 Replicate=3; Date=7/27/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160627_Smp_10R3.mzXML 160701_Smp_10R3.mzXML 160627_Smp_10R3.raw 160701_Smp_10R3.raw 160701_Smp_10R3_DCM.raw
SUBJECT_SAMPLE_FACTORS 11 S11R1 Time:2200 | Station and Cast:S20C001 Replicate=1; Date=7/27/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160705_Smp_11R1.mzXML 160708_Smp_11R1_re-run.mzXML 160705_Smp_11R1.raw 160708_Smp_11R1.raw 160708_Smp_11R1_DCM.raw
SUBJECT_SAMPLE_FACTORS 11 S11R2 Time:2200 | Station and Cast:S20C001 Replicate=2; Date=7/27/2019 0;00; Vol=2.85; Depth (m)=15; RAW_FILE_NAME=160712_Smp_11R2.mzXML 160714_Smp_11R2.mzXML 160711_Smp_11R2.raw 160714_Smp_11R2.raw 160714_Smp_11R2_DCM.raw
SUBJECT_SAMPLE_FACTORS 11 S11R3 Time:2200 | Station and Cast:S20C001 Replicate=3; Date=7/27/2019 0;00; Vol=3.1; Depth (m)=15; RAW_FILE_NAME=160712_Smp_11R3.mzXML 160714_Smp_11R3.mzXML 160711_Smp_11R3.raw 160714_Smp_11R3.raw 160714_Smp_11R3_DCM.raw
SUBJECT_SAMPLE_FACTORS 12 S12R1 Time:200 | Station and Cast:S21C001 Replicate=1; Date=7/28/2019 0;00; Vol=3.1; Depth (m)=15; RAW_FILE_NAME=160705_Smp_12R1.mzXML 160708_Smp_12R1_re-run.mzXML 160705_Smp_12R1.raw 160708_Smp_12R1.raw 160708_Smp_12R1_DCM.raw
SUBJECT_SAMPLE_FACTORS 12 S12R2 Time:200 | Station and Cast:S21C001 Replicate=2; Date=7/28/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160705_Smp_12R2.mzXML 160708_Smp_12R2_re-run.mzXML 160705_Smp_12R2.raw 160708_Smp_12R2.raw 160708_Smp_12R2_DCM.raw
SUBJECT_SAMPLE_FACTORS 12 S12R3 Time:200 | Station and Cast:S21C001 Replicate=3; Date=7/28/2019 0;00; Vol=3; Depth (m)=15; RAW_FILE_NAME=160712_Smp_12R3.mzXML 160714_Smp_12R3.mzXML 160711_Smp_12R3.raw 160714_Smp_12R3.raw 160714_Smp_12R3_DCM.raw
SUBJECT_SAMPLE_FACTORS 13 S13R1 Time:600 | Station and Cast:S22C001 Replicate=1; Date=7/28/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160705_Smp_13R1.mzXML 160708_Smp_13R1_re-run.mzXML 160705_Smp_13R1.raw 160708_Smp_13R1.raw 160708_Smp_13R1_DCM.raw
SUBJECT_SAMPLE_FACTORS 13 S13R2 Time:600 | Station and Cast:S22C001 Replicate=2; Date=7/28/2019 0;00; Vol=3.1; Depth (m)=15; RAW_FILE_NAME=160705_Smp_13R2.mzXML 160708_Smp_13R2_re-run.mzXML 160705_Smp_13R2.raw 160708_Smp_13R2.raw 160708_Smp_13R2_DCM.raw
SUBJECT_SAMPLE_FACTORS 13 S13R3 Time:600 | Station and Cast:S22C001 Replicate=3; Date=7/28/2019 0;00; Vol=3.1; Depth (m)=15; RAW_FILE_NAME=160705_Smp_13R3.mzXML 160708_Smp_13R3_re-run.mzXML 160705_Smp_13R3.raw 160708_Smp_13R3.raw 160708_Smp_13R3_DCM.raw
SUBJECT_SAMPLE_FACTORS 14 S14R1 Time:1000 | Station and Cast:S23C001 Replicate=1; Date=7/28/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160705_Smp_14R1.mzXML 160708_Smp_14R1_re-run.mzXML 160705_Smp_14R1.raw 160708_Smp_14R1.raw 160708_Smp_14R1_DCM.raw
SUBJECT_SAMPLE_FACTORS 14 S14R2 Time:1000 | Station and Cast:S23C001 Replicate=2; Date=7/28/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160705_Smp_14R2.mzXML 160708_Smp_14R2_re-run.mzXML 160705_Smp_14R2.raw 160708_Smp_14R2.raw 160708_Smp_14R2_DCM.raw
SUBJECT_SAMPLE_FACTORS 14 S14R3 Time:1000 | Station and Cast:S23C001 Replicate=3; Date=7/28/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160712_Smp_14R3.mzXML 160714_Smp_14R3.mzXML 160711_Smp_14R3.raw 160714_Smp_14R3.raw 160714_Smp_14R3_DCM.raw
SUBJECT_SAMPLE_FACTORS 15 S15R1 Time:1400 | Station and Cast:S24C001 Replicate=1; Date=7/28/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160705_Smp_15R1.mzXML 160708_Smp_15R1_re-run.mzXML 160705_Smp_15R1.raw 160708_Smp_15R1.raw 160708_Smp_15R1_DCM.raw
SUBJECT_SAMPLE_FACTORS 15 S15R2 Time:1400 | Station and Cast:S24C001 Replicate=2; Date=7/28/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160705_Smp_15R2.mzXML 160708_Smp_15R2_re-run.mzXML 160705_Smp_15R2.raw 160708_Smp_15R2.raw 160708_Smp_15R2_DCM.raw
SUBJECT_SAMPLE_FACTORS 15 S15R3 Time:1400 | Station and Cast:S24C001 Replicate=3; Date=7/28/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160705_Smp_15R3.mzXML 160708_Smp_15R3_re_run.mzXML 160705_Smp_15R3.raw 160708_Smp_15R3.raw 160708_Smp_15R3_DCM.raw
SUBJECT_SAMPLE_FACTORS 16 S16R1 Time:1800 | Station and Cast:S26C001 Replicate=1; Date=7/28/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160705_Smp_16R2.mzXML 160708_Smp_16R1.mzXML 160705_Smp_16R2.raw 160708_Smp_16R2.raw 160708_Smp_16R2_DCM.raw
SUBJECT_SAMPLE_FACTORS 16 S16R2 Time:1800 | Station and Cast:S26C001 Replicate=2; Date=7/28/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160712_Smp_16R2.mzXML 160714_Smp_16R2.mzXML 160711_Smp_16R2.raw 160714_Smp_16R2.raw 160714_Smp_16R2_DCM.raw
SUBJECT_SAMPLE_FACTORS 16 S16R3 Time:1800 | Station and Cast:S26C001 Replicate=3; Date=7/28/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160705_Smp_16R3.mzXML 160708_Smp_16R3_re-run.mzXML 160705_Smp_16R3.raw 160708_Smp_16R3.raw 160708_Smp_16R3_DCM.raw
SUBJECT_SAMPLE_FACTORS 17 S17R1 Time:2200 | Station and Cast:S28C001 Replicate=1; Date=7/28/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160705_Smp_17R1.mzXML 160708_Smp_17R1_re-run.mzXML 160705_Smp_17R1.raw 160708_Smp_17R1.raw 160708_Smp_17R1_DCM.raw
SUBJECT_SAMPLE_FACTORS 17 S17R2 Time:2200 | Station and Cast:S28C001 Replicate=2; Date=7/28/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160705_Smp_17R2.mzXML 160708_Smp_17R2_re-run.mzXML 160705_Smp_17R2.raw 160708_Smp_17R2.raw 160708_Smp_17R2_DCM.raw
SUBJECT_SAMPLE_FACTORS 17 S17R3 Time:2200 | Station and Cast:S28C001 Replicate=3; Date=7/28/2019 0;00; Vol=3.2; Depth (m)=15; RAW_FILE_NAME=160705_Smp_17R3.mzXML 160708_Smp_17R3_re-run.mzXML 160705_Smp_17R3.raw 160708_Smp_17R3.raw 160708_Smp_17R3_DCM.raw
SUBJECT_SAMPLE_FACTORS 18 S18R1 Time:200 | Station and Cast:S29C001 Replicate=1; Date=7/29/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160705_Smp_18R1.mzXML 160708_Smp_18R1_re-run.mzXML 160705_Smp_18R1.raw 160708_Smp_18R1.raw 160708_Smp_18R1_DCM.raw
SUBJECT_SAMPLE_FACTORS 18 S18R2 Time:200 | Station and Cast:S29C001 Replicate=2; Date=7/29/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160712_Smp_18R2.mzXML 160714_Smp_18R2.mzXML 160711_Smp_18R2.raw 160714_Smp_18R2.raw 160714_Smp_18R2_DCM.raw
SUBJECT_SAMPLE_FACTORS 18 S18R3 Time:200 | Station and Cast:S29C001 Replicate=3; Date=7/29/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160712_Smp_18R3.mzXML 160714_Smp_18R3.mzXML 160711_Smp_18R3.raw 160714_Smp_18R3.raw 160714_Smp_18R3_DCM.raw
SUBJECT_SAMPLE_FACTORS 19 S19R1 Time:600 | Station and Cast:S30C001 Replicate=1; Date=7/29/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160705_Smp_19R1.mzXML 160708_Smp_19R1_re-run.mzXML 160705_Smp_19R1.raw 160708_Smp_19R1.raw 160708_Smp_19R1_DCM.raw
SUBJECT_SAMPLE_FACTORS 19 S19R2 Time:600 | Station and Cast:S30C001 Replicate=2; Date=7/29/2019 0;00; Vol=3.1; Depth (m)=15; RAW_FILE_NAME=160705_Smp_19R2.mzXML 160708_Smp_19R2_re-run.mzXML 160705_Smp_19R2.raw 160708_Smp_19R2.raw 160708_Smp_19R2_DCM.raw
SUBJECT_SAMPLE_FACTORS 19 S19R3 Time:600 | Station and Cast:S30C001 Replicate=3; Date=7/29/2019 0;00; Vol=3.1; Depth (m)=15; RAW_FILE_NAME=160705_Smp_19R3.mzXML 160708_Smp_19R3_re-run.mzXML 160705_Smp_19R3.raw 160708_Smp_19R3.raw 160708_Smp_19R3_DCM.raw
SUBJECT_SAMPLE_FACTORS 20 S20R1 Time:1000 | Station and Cast:S31C001 Replicate=1; Date=7/29/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160705_Smp_20R1.mzXML 160708_Smp_20R1_re-run.mzXML 160705_Smp_20R1.raw 160708_Smp_20R1.raw 160708_Smp_20R1_DCM.raw
SUBJECT_SAMPLE_FACTORS 20 S20R2 Time:1000 | Station and Cast:S31C001 Replicate=2; Date=7/29/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160705_Smp_20R2.mzXML 160708_Smp_20R2_re-run.mzXML 160705_Smp_20R2.raw 160708_Smp_20R2.raw 160708_Smp_20R2_DCM.raw
SUBJECT_SAMPLE_FACTORS 20 S20R3 Time:1000 | Station and Cast:S31C001 Replicate=3; Date=7/29/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160705_Smp_20R3.mzXML 160708_Smp_20R3_re-run.mzXML 160705_Smp_20R3.raw 160708_Smp_20R3.raw 160708_Smp_20R3_DCM.raw
SUBJECT_SAMPLE_FACTORS 21 S21R1 Time:1400 | Station and Cast:S32C001 Replicate=1; Date=7/29/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160712_Smp_21R1.mzXML 160714_Smp_21R1.mzXML 160711_Smp_21R1.raw 160714_Smp_21R1.raw 160714_Smp_21R1_DCM.raw
SUBJECT_SAMPLE_FACTORS 21 S21R2 Time:1400 | Station and Cast:S32C001 Replicate=2; Date=7/29/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160712_Smp_21R2.mzXML 160714_Smp_21R2.mzXML 160711_Smp_21R2.raw 160714_Smp_21R2.raw 160714_Smp_21R2_DCM.raw
SUBJECT_SAMPLE_FACTORS 21 S21R3 Time:1400 | Station and Cast:S32C001 Replicate=3; Date=7/29/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160712_Smp_21R3.mzXML 160714_Smp_21R3.mzXML 160711_Smp_21R3.raw 160714_Smp_21R3.raw 160714_Smp_21R3_DCM.raw
SUBJECT_SAMPLE_FACTORS 22 S22R1 Time:1800 | Station and Cast:S33C001 Replicate=1; Date=7/29/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160712_Smp_22R1.mzXML 160714_Smp_22R1.mzXML 160711_Smp_22R1.raw 160714_Smp_22R1.raw 160714_Smp_22R1_DCM.raw
SUBJECT_SAMPLE_FACTORS 22 S22R2 Time:1800 | Station and Cast:S33C001 Replicate=2; Date=7/29/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160712_Smp_22R2.mzXML 160714_Smp_22R2.mzXML 160711_Smp_22R2.raw 160714_Smp_22R2.raw 160714_Smp_22R2_DCM.raw
SUBJECT_SAMPLE_FACTORS 22 S22R3 Time:1800 | Station and Cast:S33C001 Replicate=3; Date=7/29/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160712_Smp_22R3.mzXML 160714_Smp_22R3.mzXML 160711_Smp_22R3.raw 160714_Smp_22R3.raw 160714_Smp_22R3_DCM.raw
SUBJECT_SAMPLE_FACTORS 23 S23R1 Time:2200 | Station and Cast:S34C001 Replicate=1; Date=7/29/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160712_Smp_23R1.mzXML 160714_Smp_23R1.mzXML 160711_Smp_23R1.raw 160714_Smp_23R1.raw 160714_Smp_23R1_DCM.raw
SUBJECT_SAMPLE_FACTORS 23 S23R2 Time:2200 | Station and Cast:S34C001 Replicate=2; Date=7/29/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160712_Smp_23R2.mzXML 160714_Smp_23R2.mzXML 160711_Smp_23R2.raw 160714_Smp_23R2.raw 160714_Smp_23R2_DCM.raw
SUBJECT_SAMPLE_FACTORS 23 S23R3 Time:2200 | Station and Cast:S34C001 Replicate=3; Date=7/29/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160712_Smp_23R3.mzXML 160714_Smp_23R3.mzXML 160711_Smp_23R3.raw 160714_Smp_23R3.raw 160714_Smp_23R3_DCM.raw
SUBJECT_SAMPLE_FACTORS 24 S24R1 Time:200 | Station and Cast:S35C001 Replicate=1; Date=7/30/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160712_Smp_24R1.mzXML 160714_Smp_24R1.mzXML 160711_Smp_24R1.raw 160714_Smp_24R1.raw 160714_Smp_24R1_DCM.raw
SUBJECT_SAMPLE_FACTORS 24 S24R2 Time:200 | Station and Cast:S35C001 Replicate=2; Date=7/30/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160712_Smp_24R2.mzXML 160714_Smp_24R2.mzXML 160711_Smp_24R2.raw 160714_Smp_24R2.raw 160714_Smp_24R2_DCM.raw
SUBJECT_SAMPLE_FACTORS 24 S24R3 Time:200 | Station and Cast:S35C001 Replicate=3; Date=7/30/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160712_Smp_24R3.mzXML 160714_Smp_24R3.mzXML 160711_Smp_24R3.raw 160714_Smp_24R3.raw 160714_Smp_24R3_DCM.raw
SUBJECT_SAMPLE_FACTORS 25 S25R1 Time:600 | Station and Cast:S37C001 Replicate=1; Date=7/30/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160725_Smp_25R1.mzXML 160728_Smp_25R1.mzXML 160725_Smp_25R1.raw 160728_Smp_25R1.raw 160728_Smp_25R1_DCM.raw
SUBJECT_SAMPLE_FACTORS 25 S25R2 Time:600 | Station and Cast:S37C001 Replicate=2; Date=7/30/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160725_Smp_25R2.mzXML 160728_Smp_25R2_160729103829.mzXML 160725_Smp_25R2.raw 160728_Smp_25R2.raw 160728_Smp_25R2_DCM.raw
SUBJECT_SAMPLE_FACTORS 25 S25R3 Time:600 | Station and Cast:S37C001 Replicate=3; Date=7/30/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160725_Smp_25R3.mzXML 160728_Smp_25R3.mzXML 160725_Smp_25R3.raw 160728_Smp_25R3.raw 160728_Smp_25R3_DCM.raw
SUBJECT_SAMPLE_FACTORS 26 S26R1 Time:1800 | Station and Cast:S47C001 Replicate=1; Date=7/31/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160718_Smp_26R1.mzXML 160721_Smp_26R1.mzXML 160718_Smp_26R1.raw 160721_Smp_26R1.raw 160721_Smp_26R1_DCM.raw
SUBJECT_SAMPLE_FACTORS 26 S26R2 Time:1800 | Station and Cast:S47C001 Replicate=2; Date=7/31/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160718_Smp_26R2.mzXML 160721_Smp_26R2.mzXML 160718_Smp_26R2.raw 160721_Smp_26R2.raw 160721_Smp_26R2_DCM.raw
SUBJECT_SAMPLE_FACTORS 26 S26R3 Time:1800 | Station and Cast:S47C001 Replicate=3; Date=7/31/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160718_Smp_26R3.mzXML 160721_Smp_26R3.mzXML 160718_Smp_26R3.raw 160721_Smp_26R3.raw 160721_Smp_26R3_DCM.raw
SUBJECT_SAMPLE_FACTORS 27 S27R1 Time:2200 | Station and Cast:S49C001 Replicate=1; Date=7/31/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160718_Smp_27R1.mzXML 160721_Smp_27R1.mzXML 160718_Smp_27R1.raw 160721_Smp_27R1.raw 160721_Smp_27R1_DCM.raw
SUBJECT_SAMPLE_FACTORS 27 S27R2 Time:2200 | Station and Cast:S49C001 Replicate=2; Date=7/31/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160718_Smp_27R2.mzXML 160721_Smp_27R2.mzXML 160718_Smp_27R2.raw 160721_Smp_27R2.raw 160721_Smp_27R2_DCM.raw
SUBJECT_SAMPLE_FACTORS 27 S27R3 Time:2200 | Station and Cast:S49C001 Replicate=3; Date=7/31/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160718_Smp_27R3.mzXML 160721_Smp_27R3.mzXML 160718_Smp_27R3.raw 160721_Smp_27R3.raw 160721_Smp_27R3_DCM.raw
SUBJECT_SAMPLE_FACTORS 28 S28R1 Time:200 | Station and Cast:S51C001 Replicate=1; Date=8/1/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160718_Smp_28R1.mzXML 160721_Smp_28R1.mzXML 160718_Smp_28R1.raw 160721_Smp_28R1.raw 160721_Smp_28R1_DCM.raw
SUBJECT_SAMPLE_FACTORS 28 S28R2 Time:200 | Station and Cast:S51C001 Replicate=2; Date=8/1/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160718_Smp_28R2.mzXML 160721_Smp_28R2.mzXML 160718_Smp_28R2.raw 160721_Smp_28R2.raw 160721_Smp_28R2_DCM.raw
SUBJECT_SAMPLE_FACTORS 28 S28R3 Time:200 | Station and Cast:S51C001 Replicate=3; Date=8/1/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160718_Smp_28R3.mzXML 160721_Smp_28R3.mzXML 160718_Smp_28R3.raw 160721_Smp_28R3.raw 160721_Smp_28R3_DCM.raw
SUBJECT_SAMPLE_FACTORS 29 S29R1 Time:600 | Station and Cast:S52C001 Replicate=1; Date=8/1/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160718_Smp_29R1.mzXML 160721_Smp_29R1.mzXML 160718_Smp_29R1.raw 160721_Smp_29R1.raw 160721_Smp_29R1_DCM.raw
SUBJECT_SAMPLE_FACTORS 29 S29R2 Time:600 | Station and Cast:S52C001 Replicate=2; Date=8/1/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160718_Smp_29R2.mzXML 160721_Smp_29R2.mzXML 160718_Smp_29R2.raw 160721_Smp_29R2.raw 160721_Smp_29R2_DCM.raw
SUBJECT_SAMPLE_FACTORS 29 S29R3 Time:600 | Station and Cast:S52C001 Replicate=3; Date=8/1/2019 0;00; Vol=2.9; Depth (m)=15; RAW_FILE_NAME=160718_Smp_29R3.mzXML 160721_Smp_29R3.mzXML 160718_Smp_29R3.raw 160721_Smp_29R3.raw 160721_Smp_29R3_DCM.raw
SUBJECT_SAMPLE_FACTORS 30 S30R1 Time:1000 | Station and Cast:S53C001 Replicate=1; Date=8/1/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160718_Smp_30R1.mzXML 160721_Smp_30R1.mzXML 160718_Smp_30R1.raw 160721_Smp_30R1.raw 160721_Smp_30R1_DCM.raw
SUBJECT_SAMPLE_FACTORS 30 S30R2 Time:1000 | Station and Cast:S53C001 Replicate=2; Date=8/1/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160718_Smp_30R2.mzXML 160721_Smp_30R2.mzXML 160718_Smp_30R2.raw 160721_Smp_30R2.raw 160721_Smp_30R2_DCM.raw
SUBJECT_SAMPLE_FACTORS 30 S30R3 Time:1000 | Station and Cast:S53C001 Replicate=3; Date=8/1/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160718_Smp_30R3.mzXML 160721_Smp_30R3.mzXML 160718_Smp_30R3.raw 160721_Smp_30R3.raw 160721_Smp_30R3_DCM.raw
SUBJECT_SAMPLE_FACTORS 31 S31R1 Time:1400 | Station and Cast:S54C001 Replicate=1; Date=8/1/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160718_Smp_31R1.mzXML 160721_Smp_31R1.mzXML 160718_Smp_31R1.raw 160721_Smp_31R1.raw 160721_Smp_31R1_DCM.raw
SUBJECT_SAMPLE_FACTORS 31 S31R3 Time:1400 | Station and Cast:S54C001 Replicate=3; Date=8/1/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160718_Smp_31R3.mzXML 160721_Smp_31R3.mzXML 160718_Smp_31R3.raw 160721_Smp_31R3.raw 160721_Smp_31R3_DCM.raw
SUBJECT_SAMPLE_FACTORS 32 S32R1 Time:1800 | Station and Cast:S55C001 Replicate=1; Date=8/1/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160718_Smp_32R1.mzXML 160721_Smp_32R1.mzXML 160718_Smp_32R1.raw 160721_Smp_32R1.raw 160721_Smp_32R1_DCM.raw
SUBJECT_SAMPLE_FACTORS 32 S32R2 Time:1800 | Station and Cast:S55C001 Replicate=2; Date=8/1/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160718_Smp_32R2.mzXML 160721_Smp_32R2.mzXML 160718_Smp_32R2.raw 160721_Smp_32R2.raw 160721_Smp_32R2_DCM.raw
SUBJECT_SAMPLE_FACTORS 32 S32R3 Time:1800 | Station and Cast:S55C001 Replicate=3; Date=8/1/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160718_Smp_32R3.mzXML 160721_Smp_32R3.mzXML 160718_Smp_32R3.raw 160721_Smp_32R3.raw 160721_Smp_32R3_DCM.raw
SUBJECT_SAMPLE_FACTORS 33 S33R1 Time:2200 | Station and Cast:S56C001 Replicate=1; Date=8/1/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160718_Smp_33R1.mzXML 160721_Smp_33R1.mzXML 160718_Smp_33R1.raw 160721_Smp_33R1.raw 160721_Smp_33R1_DCM.raw
SUBJECT_SAMPLE_FACTORS 33 S33R2 Time:2200 | Station and Cast:S56C001 Replicate=2; Date=8/1/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160718_Smp_33R2.mzXML 160721_Smp_33R2.mzXML 160718_Smp_33R2.raw 160721_Smp_33R2.raw 160721_Smp_33R2_DCM.raw
SUBJECT_SAMPLE_FACTORS 33 S33R3 Time:2200 | Station and Cast:S56C001 Replicate=3; Date=8/1/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160718_Smp_33R3.mzXML 160721_Smp_33R3.mzXML 160718_Smp_33R3.raw 160721_Smp_33R3.raw 160721_Smp_33R3_DCM.raw
SUBJECT_SAMPLE_FACTORS 34 S34R1 Time:200 | Station and Cast:S57C001 Replicate=1; Date=8/2/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160718_Smp_34R1.mzXML 160721_Smp_34R1.mzXML 160718_Smp_34R1.raw 160721_Smp_34R1.raw 160721_Smp_34R1_DCM.raw
SUBJECT_SAMPLE_FACTORS 34 S34R2 Time:200 | Station and Cast:S57C001 Replicate=2; Date=8/2/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160718_Smp_34R2.mzXML 160721_Smp_34R2.mzXML 160718_Smp_34R2.raw 160721_Smp_34R2.raw 160721_Smp_34R2_DCM.raw
SUBJECT_SAMPLE_FACTORS 34 S34R3 Time:200 | Station and Cast:S57C001 Replicate=3; Date=8/2/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160718_Smp_34R3.mzXML 160721_Smp_34R3.mzXML 160718_Smp_34R3.raw 160721_Smp_34R3.raw 160721_Smp_34R3_DCM.raw
SUBJECT_SAMPLE_FACTORS 35 S35R1 Time:600 | Station and Cast:S58C001 Replicate=1; Date=8/2/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160718_Smp_35R1.mzXML 160721_Smp_35R1.mzXML 160718_Smp_35R1.raw 160721_Smp_35R1.raw 160721_Smp_35R1_DCM.raw
SUBJECT_SAMPLE_FACTORS 35 S35R2 Time:600 | Station and Cast:S58C001 Replicate=2; Date=8/2/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160718_Smp_35R2.mzXML 160721_Smp_35R2.mzXML 160718_Smp_35R2.raw 160721_Smp_35R2.raw 160721_Smp_35R2_DCM.raw
SUBJECT_SAMPLE_FACTORS 35 S35R3 Time:600 | Station and Cast:S58C001 Replicate=3; Date=8/2/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160718_Smp_35R3.mzXML 160721_Smp_35R3.mzXML 160718_Smp_35R3.raw 160721_Smp_35R3.raw 160721_Smp_35R3_DCM.raw
SUBJECT_SAMPLE_FACTORS 36 S36R1 Time:1000 | Station and Cast:S60C001 Replicate=1; Date=8/2/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160725_Smp_36R1.mzXML 160728_Smp_36R1.mzXML 160725_Smp_36R1.raw 160728_Smp_36R1.raw 160728_Smp_36R1_DCM.raw
SUBJECT_SAMPLE_FACTORS 36 S36R2 Time:1000 | Station and Cast:S60C001 Replicate=2; Date=8/2/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160725_Smp_36R2.mzXML 160728_Smp_36R2.mzXML 160725_Smp_36R2.raw 160728_Smp_36R2.raw 160728_Smp_36R2_DCM.raw
SUBJECT_SAMPLE_FACTORS 36 S36R3 Time:1000 | Station and Cast:S60C001 Replicate=3; Date=8/2/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160725_Smp_36R3.mzXML 160728_Smp_36R3.mzXML 160725_Smp_36R3.raw 160728_Smp_36R3.raw 160728_Smp_36R3_DCM.raw
SUBJECT_SAMPLE_FACTORS 37 S37R1 Time:1400 | Station and Cast:S61C001 Replicate=1; Date=8/2/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160725_Smp_37R1.mzXML 160728_Smp_37R1.mzXML 160725_Smp_37R1.raw 160728_Smp_37R1.raw 160728_Smp_37R1_DCM.raw
SUBJECT_SAMPLE_FACTORS 37 S37R2 Time:1400 | Station and Cast:S61C001 Replicate=2; Date=8/2/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160725_Smp_37R2.mzXML 160728_Smp_37R2.mzXML 160725_Smp_37R2.raw 160728_Smp_37R2.raw 160728_Smp_37R2_DCM.raw
SUBJECT_SAMPLE_FACTORS 37 S37R3 Time:1400 | Station and Cast:S61C001 Replicate=3; Date=8/2/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160725_Smp_37R3.mzXML 160728_Smp_37R3.mzXML 160725_Smp_37R3.raw 160728_Smp_37R3.raw 160728_Smp_37R3_DCM.raw
SUBJECT_SAMPLE_FACTORS 38 S38R1 Time:1800 | Station and Cast:S63C001 Replicate=1; Date=8/2/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160725_Smp_38R1.mzXML 160728_Smp_38R1.mzXML 160725_Smp_38R1.raw 160728_Smp_38R1.raw 160728_Smp_38R1_DCM.raw
SUBJECT_SAMPLE_FACTORS 38 S38R2 Time:1800 | Station and Cast:S63C001 Replicate=2; Date=8/2/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160725_Smp_38R2.mzXML 160728_Smp_38R2.mzXML 160725_Smp_38R2.raw 160728_Smp_38R2.raw 160728_Smp_38R2_DCM.raw
SUBJECT_SAMPLE_FACTORS 38 S38R3 Time:1800 | Station and Cast:S63C001 Replicate=3; Date=8/2/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160725_Smp_38R3.mzXML 160728_Smp_38R3.mzXML 160725_Smp_38R3.raw 160728_Smp_38R3.raw 160728_Smp_38R3_DCM.raw
SUBJECT_SAMPLE_FACTORS 39 S39R1 Time:2200 | Station and Cast:S64C001 Replicate=1; Date=8/2/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160725_Smp_39R1.mzXML 160728_Smp_39R1.mzXML 160725_Smp_39R1.raw 160728_Smp_39R1.raw 160728_Smp_39R1_DCM.raw
SUBJECT_SAMPLE_FACTORS 39 S39R2 Time:2200 | Station and Cast:S64C001 Replicate=2; Date=8/2/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160725_Smp_39R2.mzXML 160728_Smp_39R2.mzXML 160725_Smp_39R2.raw 160728_Smp_39R2.raw 160728_Smp_39R2_DCM.raw
SUBJECT_SAMPLE_FACTORS 39 S39R3 Time:2200 | Station and Cast:S64C001 Replicate=3; Date=8/2/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160725_Smp_39R3.mzXML 160728_Smp_39R3.mzXML 160725_Smp_39R3.raw 160728_Smp_39R3.raw 160728_Smp_39R3_DCM.raw
SUBJECT_SAMPLE_FACTORS 40 S40R1 Time:200 | Station and Cast:S66C001 Replicate=1; Date=8/3/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160725_Smp_40R1.mzXML 160728_Smp_40R1.mzXML 160725_Smp_40R1.raw 160728_Smp_40R1.raw 160728_Smp_40R1_DCM.raw
SUBJECT_SAMPLE_FACTORS 40 S40R2 Time:200 | Station and Cast:S66C001 Replicate=2; Date=8/3/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160725_Smp_40R2.mzXML 160728_Smp_40R2.mzXML 160725_Smp_40R2.raw 160728_Smp_40R2.raw 160728_Smp_40R2_DCM.raw
SUBJECT_SAMPLE_FACTORS 40 S40R3 Time:200 | Station and Cast:S66C001 Replicate=3; Date=8/3/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160725_Smp_40R3.mzXML 160728_Smp_40R3.mzXML 160725_Smp_40R3.raw 160728_Smp_40R3.raw 160728_Smp_40R3_DCM.raw
SUBJECT_SAMPLE_FACTORS 41 S41R2 Time:600 | Station and Cast:S67C001 Replicate=2; Date=8/3/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160725_Smp_41R2.mzXML 160728_Smp_41R2.mzXML 160725_Smp_41R2.raw 160728_Smp_41R2.raw 160728_Smp_41R2_DCM.raw
SUBJECT_SAMPLE_FACTORS 41 S41R3 Time:600 | Station and Cast:S67C001 Replicate=3; Date=8/3/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160725_Smp_41R3.mzXML 160728_Smp_41R3.mzXML 160725_Smp_41R3.raw 160728_Smp_41R3.raw 160728_Smp_41R3_DCM.raw
SUBJECT_SAMPLE_FACTORS 42 S42R1 Time:1000 | Station and Cast:S68C001 Replicate=1; Date=8/3/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160725_Smp_42R1.mzXML 160728_Smp_42R1.mzXML 160725_Smp_42R1.raw 160728_Smp_42R1.raw 160728_Smp_42R1_DCM.raw
SUBJECT_SAMPLE_FACTORS 42 S42R2 Time:1000 | Station and Cast:S68C001 Replicate=2; Date=8/3/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160725_Smp_42R2.mzXML 160728_Smp_42R2_160729110419.mzXML 160725_Smp_42R2.raw 160728_Smp_42R2.raw 160728_Smp_42R2_DCM.raw
SUBJECT_SAMPLE_FACTORS 42 S42R3 Time:1000 | Station and Cast:S68C001 Replicate=3; Date=8/3/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160725_Smp_42R3.mzXML 160728_Smp_42R3_160729113012.mzXML 160725_Smp_42R3.raw 160728_Smp_42R3.raw 160728_Smp_42R3_DCM.raw
SUBJECT_SAMPLE_FACTORS 43 S43R1 Time:1400 | Station and Cast:S69C001 Replicate=1; Date=8/3/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160725_Smp_43R1.mzXML 160728_Smp_43R1_160729115604.mzXML 160725_Smp_43R1.raw 160728_Smp_43R1.raw 160728_Smp_43R1_DCM.raw
SUBJECT_SAMPLE_FACTORS 43 S43R2 Time:1400 | Station and Cast:S69C001 Replicate=2; Date=8/3/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160725_Smp_43R2.mzXML 160728_Smp_43R2.mzXML 160725_Smp_43R2.raw 160728_Smp_43R2.raw 160728_Smp_43R2_DCM.raw
SUBJECT_SAMPLE_FACTORS 43 S43R3 Time:1400 | Station and Cast:S69C001 Replicate=3; Date=8/3/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160725_Smp_43R3.mzXML 160728_Smp_43R3.mzXML 160725_Smp_43R3.raw 160728_Smp_43R3.raw 160728_Smp_43R3_DCM.raw
SUBJECT_SAMPLE_FACTORS 44 S44R1 Time:1800 | Station and Cast:S70C001 Replicate=1; Date=8/3/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160725_Smp_44R1.mzXML 160728_Smp_44R1.mzXML 160725_Smp_44R1.raw 160728_Smp_44R1.raw 160728_Smp_44R1_DCM.raw
SUBJECT_SAMPLE_FACTORS 44 S44R2 Time:1800 | Station and Cast:S70C001 Replicate=2; Date=8/3/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160725_Smp_44R2.mzXML 160728_Smp_44R2.mzXML 160725_Smp_44R2.raw 160728_Smp_44R2.raw 160728_Smp_44R2_DCM.raw
SUBJECT_SAMPLE_FACTORS 44 S44R3 Time:1800 | Station and Cast:S70C001 Replicate=3; Date=8/3/2019 0;00; Vol=3.5; Depth (m)=15; RAW_FILE_NAME=160725_Smp_44R3.mzXML 160728_Smp_44R3.mzXML 160725_Smp_44R3.raw 160728_Smp_44R3.raw 160728_Smp_44R3_DCM.raw
#COLLECTION
CO:COLLECTION_SUMMARY Samples for particulate metabolites were collected from 15 m water depth by
CO:COLLECTION_SUMMARY niskin bottles attached to a conductivity, temperature, depth array (CTD).
CO:COLLECTION_SUMMARY Metabolite samples were collected in triplicate at each time point by filtering
CO:COLLECTION_SUMMARY approximately 3.5 L of seawater onto 47 mm 0.2 micron Omnipore filters using
CO:COLLECTION_SUMMARY peristaltic pumps, polycarbonate filter holders, and Masterflex PharMed BPT
CO:COLLECTION_SUMMARY tubing (Cole-Parmer). Filters were frozen in liquid nitrogen immediately after
CO:COLLECTION_SUMMARY filtration and stored in a -80 C freezer until extraction.
CO:SAMPLE_TYPE Suspended Marine Particulate Matter
#TREATMENT
TR:TREATMENT_SUMMARY No treatments - this was a study of the natural marine microbial population in
TR:TREATMENT_SUMMARY the surface ocean at approximately 24.5 degrees N, 156.5 degrees W.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY Each sample was extracted using a modified Bligh-Dyer extraction. Briefly,
SP:SAMPLEPREP_SUMMARY filters were cut up and split between two bead beating 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 750 µL of cold aqueous solved (50:50
SP:SAMPLEPREP_SUMMARY methanol:water) and 750 µL of cold organic solvent (dichloromethane). The
SP:SAMPLEPREP_SUMMARY samples were shaken on a FastPrep-24 Homogenizer for 30 seconds and chilled in a
SP:SAMPLEPREP_SUMMARY -20 °C freezer repeatedly for three cycles of bead-beating and a total of 30
SP:SAMPLEPREP_SUMMARY minutes of chilling. The organic and aqueous layers were separated by spinning
SP:SAMPLEPREP_SUMMARY samples in a microcentrifuge at 5,000 rpm for 90 seconds at 4 °C. The aqueous
SP:SAMPLEPREP_SUMMARY layer was removed to a new glass centrifuge tube. The remaining organic fraction
SP:SAMPLEPREP_SUMMARY was rinsed three more times with additions of 750 µL of 50:50 methanol:water.
SP:SAMPLEPREP_SUMMARY All aqueous rinses were combined for each sample and dried down under N2 gas.
SP:SAMPLEPREP_SUMMARY The remaining organic layer was transferred into a clean glass centrifuge tube
SP:SAMPLEPREP_SUMMARY and the remaining bead beating tube was rinsed two more times with cold organic
SP:SAMPLEPREP_SUMMARY solvent. The combined organic rinses were centrifuged, transferred to a new
SP:SAMPLEPREP_SUMMARY tube, and dried under N2 gas. Dried aqueous fractions were re-dissolved in 380
SP:SAMPLEPREP_SUMMARY µL of 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:SAMPLEPREP_PROTOCOL_FILENAME Ingalls_Metabolomics_Sample_Processing_2015.txt
SP:PROCESSING_STORAGE_CONDITIONS On ice
SP:EXTRACT_STORAGE -80℃
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY HILIC
CH:CHROMATOGRAPHY_TYPE HILIC
CH:INSTRUMENT_NAME Waters Acquity I-Class
CH:COLUMN_NAME SeQuant ZIC- pHILIC (150 x 2.1mm, 5um)
CH:FLOW_GRADIENT 100% A for 2 minutes, ramped to 100% B over 18 minutes, held at 100% B for 5
CH:FLOW_GRADIENT minutes, and equilibrated at 100% A for 25 minutes
CH:FLOW_RATE 0.15 mL/min
CH:COLUMN_TEMPERATURE 30 C
CH:METHODS_FILENAME Ingalls_Metabolomics_LC_Parameters_2015.txt
CH:SOLVENT_A 10 mM ammonium carbonate in 85:15 acetonitrile to water
CH:SOLVENT_B 10 mM ammonium carbonate in 60:40 water to acetonitrile
CH:ANALYTICAL_TIME 25 min
CH:PRECONDITIONING , the column was equilibrated at the starting conditions for at least 30 minutes
CH:CHROMATOGRAPHY_COMMENTS In marine samples, a major salt peak elutes at approximately 23 minutes, To
CH:CHROMATOGRAPHY_COMMENTS improve the performance of the HILIC column, we maintained the same injection
CH:CHROMATOGRAPHY_COMMENTS volume, kept the instrument running water blanks between samples as necessary.
#ANALYSIS
AN:ANALYSIS_TYPE MS
AN:ACQUISITION_PARAMETERS_FILE Ingalls_Metabolomics_MS_Parameters_2015.txt
#MS
MS:INSTRUMENT_NAME Waters Xevo-TQ-S
MS:INSTRUMENT_TYPE Triple quadrupole
MS:MS_TYPE ESI
MS:ION_MODE NEGATIVE
MS:MS_COMMENTS See File
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS Normalized Peak Area Per L Seawater Filtered
MS_METABOLITE_DATA_START
Samples S10R1 S10R2 S10R3 S11R1 S11R2 S11R3 S12R1 S12R2 S12R3 S13R1 S13R2 S13R3 S14R1 S14R2 S14R3 S15R1 S15R2 S15R3 S16R1 S16R2 S16R3 S17R1 S17R2 S17R3 S18R1 S18R2 S18R3 S19R1 S19R2 S19R3 S1R1 S1R2 S1R3 S20R1 S20R2 S20R3 S21R1 S21R2 S21R3 S22R1 S22R2 S22R3 S23R1 S23R2 S23R3 S24R1 S24R2 S24R3 S25R1 S25R2 S25R3 S26R1 S26R2 S26R3 S27R1 S27R2 S27R3 S28R1 S28R2 S28R3 S29R1 S29R2 S29R3 S2R1 S2R2 S2R3 S30R1 S30R2 S30R3 S31R1 S31R3 S32R1 S32R2 S32R3 S33R1 S33R2 S33R3 S34R1 S34R2 S34R3 S35R1 S35R2 S35R3 S36R1 S36R2 S36R3 S37R1 S37R2 S37R3 S38R1 S38R2 S38R3 S39R1 S39R2 S39R3 S3R1 S3R2 S3R3 S40R1 S40R2 S40R3 S41R2 S41R3 S42R1 S42R2 S42R3 S43R1 S43R2 S43R3 S44R1 S44R2 S44R3 S4R1 S4R2 S4R3 S5R1 S5R2 S5R3 S6R1 S6R2 S6R3 S7R1 S7R2 S7R3 S8R1 S8R2 S8R3 S9R1 S9R2 S9R3
Factors Time:1800 | Station and Cast:S19C001 Time:1800 | Station and Cast:S19C001 Time:1800 | Station and Cast:S19C001 Time:2200 | Station and Cast:S20C001 Time:2200 | Station and Cast:S20C001 Time:2200 | Station and Cast:S20C001 Time:200 | Station and Cast:S21C001 Time:200 | Station and Cast:S21C001 Time:200 | Station and Cast:S21C001 Time:600 | Station and Cast:S22C001 Time:600 | Station and Cast:S22C001 Time:600 | Station and Cast:S22C001 Time:1000 | Station and Cast:S23C001 Time:1000 | Station and Cast:S23C001 Time:1000 | Station and Cast:S23C001 Time:1400 | Station and Cast:S24C001 Time:1400 | Station and Cast:S24C001 Time:1400 | Station and Cast:S24C001 Time:1800 | Station and Cast:S26C001 Time:1800 | Station and Cast:S26C001 Time:1800 | Station and Cast:S26C001 Time:2200 | Station and Cast:S28C001 Time:2200 | Station and Cast:S28C001 Time:2200 | Station and Cast:S28C001 Time:200 | Station and Cast:S29C001 Time:200 | Station and Cast:S29C001 Time:200 | Station and Cast:S29C001 Time:600 | Station and Cast:S30C001 Time:600 | Station and Cast:S30C001 Time:600 | Station and Cast:S30C001 Time:600 | Station and Cast:S06C001 Time:600 | Station and Cast:S06C001 Time:600 | Station and Cast:S06C001 Time:1000 | Station and Cast:S31C001 Time:1000 | Station and Cast:S31C001 Time:1000 | Station and Cast:S31C001 Time:1400 | Station and Cast:S32C001 Time:1400 | Station and Cast:S32C001 Time:1400 | Station and Cast:S32C001 Time:1800 | Station and Cast:S33C001 Time:1800 | Station and Cast:S33C001 Time:1800 | Station and Cast:S33C001 Time:2200 | Station and Cast:S34C001 Time:2200 | Station and Cast:S34C001 Time:2200 | Station and Cast:S34C001 Time:200 | Station and Cast:S35C001 Time:200 | Station and Cast:S35C001 Time:200 | Station and Cast:S35C001 Time:600 | Station and Cast:S37C001 Time:600 | Station and Cast:S37C001 Time:600 | Station and Cast:S37C001 Time:1800 | Station and Cast:S47C001 Time:1800 | Station and Cast:S47C001 Time:1800 | Station and Cast:S47C001 Time:2200 | Station and Cast:S49C001 Time:2200 | Station and Cast:S49C001 Time:2200 | Station and Cast:S49C001 Time:200 | Station and Cast:S51C001 Time:200 | Station and Cast:S51C001 Time:200 | Station and Cast:S51C001 Time:600 | Station and Cast:S52C001 Time:600 | Station and Cast:S52C001 Time:600 | Station and Cast:S52C001 Time:1000 | Station and Cast:S07C001 Time:1000 | Station and Cast:S07C001 Time:1000 | Station and Cast:S07C001 Time:1000 | Station and Cast:S53C001 Time:1000 | Station and Cast:S53C001 Time:1000 | Station and Cast:S53C001 Time:1400 | Station and Cast:S54C001 Time:1400 | Station and Cast:S54C001 Time:1800 | Station and Cast:S55C001 Time:1800 | Station and Cast:S55C001 Time:1800 | Station and Cast:S55C001 Time:2200 | Station and Cast:S56C001 Time:2200 | Station and Cast:S56C001 Time:2200 | Station and Cast:S56C001 Time:200 | Station and Cast:S57C001 Time:200 | Station and Cast:S57C001 Time:200 | Station and Cast:S57C001 Time:600 | Station and Cast:S58C001 Time:600 | Station and Cast:S58C001 Time:600 | Station and Cast:S58C001 Time:1000 | Station and Cast:S60C001 Time:1000 | Station and Cast:S60C001 Time:1000 | Station and Cast:S60C001 Time:1400 | Station and Cast:S61C001 Time:1400 | Station and Cast:S61C001 Time:1400 | Station and Cast:S61C001 Time:1800 | Station and Cast:S63C001 Time:1800 | Station and Cast:S63C001 Time:1800 | Station and Cast:S63C001 Time:2200 | Station and Cast:S64C001 Time:2200 | Station and Cast:S64C001 Time:2200 | Station and Cast:S64C001 Time:1400 | Station and Cast:S08C001 Time:1400 | Station and Cast:S08C001 Time:1400 | Station and Cast:S08C001 Time:200 | Station and Cast:S66C001 Time:200 | Station and Cast:S66C001 Time:200 | Station and Cast:S66C001 Time:600 | Station and Cast:S67C001 Time:600 | Station and Cast:S67C001 Time:1000 | Station and Cast:S68C001 Time:1000 | Station and Cast:S68C001 Time:1000 | Station and Cast:S68C001 Time:1400 | Station and Cast:S69C001 Time:1400 | Station and Cast:S69C001 Time:1400 | Station and Cast:S69C001 Time:1800 | Station and Cast:S70C001 Time:1800 | Station and Cast:S70C001 Time:1800 | Station and Cast:S70C001 Time:1800 | Station and Cast:S11C001 Time:1800 | Station and Cast:S11C001 Time:1800 | Station and Cast:S11C001 Time:2200 | Station and Cast:S14C001 Time:2200 | Station and Cast:S14C001 Time:2200 | Station and Cast:S14C001 Time:200 | Station and Cast:S15C001 Time:200 | Station and Cast:S15C001 Time:200 | Station and Cast:S15C001 Time:600 | Station and Cast:S16C001 Time:600 | Station and Cast:S16C001 Time:600 | Station and Cast:S16C001 Time:1000 | Station and Cast:S17C001 Time:1000 | Station and Cast:S17C001 Time:1000 | Station and Cast:S17C001 Time:1400 | Station and Cast:S18C001 Time:1400 | Station and Cast:S18C001 Time:1400 | Station and Cast:S18C001
Aconitic Acid 280619.5315 79767.4922 158460.0999 21216.544 15485.38709 51330.71631 2537.460705 22509.86813 28038.89807 24828.72426 47768.15129 21309.25328 24420.74515 6059.493451 39439.31106 47704.54229 30272.74688 15403.34942 52527.34066 32500.34598 1854.124013 68089.87256 26608.04033 10966.25715 12415.10058 25858.63637 53199.20955 21367.53612 25563.32084 23608.54667 95556.97204 21766.12506 46816.98843 6867.523665 16180.23473 23619.29105 NA NA NA NA NA NA NA NA NA NA NA NA 39394.26287 14423.15396 9883.981385 23193.37399 25463.14216 13400.82098 45272.81254 14338.63788 4694.636799 69111.70772 13399.79494 1318.464339 4498.735782 9384.638332 21345.74149 118236.0131 167396.2823 11998.79286 23489.73745 2955.665971 10575.05568 12552.40764 74918.52745 29912.25214 13324.75215 33578.02087 29871.82467 19947.43654 12079.67987 18803.94228 19324.85216 31436.67326 34800.2905 20566.34327 32258.1998 6415.258413 856.542819 26968.28761 14803.1765 9825.903796 10501.94939 22191.03598 7469.523835 3799.595968 17875.87391 12025.37806 9384.02187 25371.01917 8305.073156 199252.0601 13513.40524 6524.450482 70975.91641 31734.9648 18706.43477 4776.985365 24985.32151 26784.57147 36071.00265 10044.09292 7105.777 10294.20031 19623.20808 64015.90295 115765.3556 57233.42805 28194.61832 54372.79575 167053.9124 134888.7448 149845.6624 81052.25374 248884.3718 182588.5783 98700.69266 243130.2262 69576.74949 145067.0793 166059.4021 170860.3077 125802.335 141606.2923
AMP 138590.9465 108405.9401 184309.4712 57035.38183 124798.564 89239.91798 29778.90364 27645.6729 43335.5096 8975.527185 76104.20417 30327.59325 131265.9014 68225.31755 108834.816 52066.06073 122974.423 46800.22471 132830.0445 150850.4221 28629.21478 89384.20691 108620.0961 64438.98291 59457.92176 110117.9045 68658.98243 75457.74103 67833.676 100501.2692 27055.78153 161098.6701 60523.81706 60919.29947 77107.27008 70572.44568 NA NA NA NA NA NA NA NA NA NA NA NA 124661.7995 167059.2959 28205.62683 37309.16136 117414.9064 37809.20676 58863.63877 41545.82999 73351.02276 29699.83426 35591.88674 21113.30968 32040.90164 17538.2486 85045.58921 188421.2521 99014.49438 201283.1623 42788.26351 24613.35832 52864.12856 50989.63748 75357.49789 50952.95642 78948.02631 63253.28195 24113.92728 49608.36293 125736.2117 33480.43263 71496.638 27393.25024 67785.91955 48271.12887 41517.97946 50730.24828 73794.84758 68244.18281 106277.2316 133487.7164 92044.90442 92621.27237 187215.3424 63084.44081 46066.53287 85596.76232 152733.3938 158651.4328 190610.5527 81121.60875 75944.02082 37057.11537 51785.35352 70488.62813 84286.6897 81836.14329 84072.35283 62314.08399 115808.973 189222.7955 142602.8568 65365.83541 83553.04037 77586.543 180430.2021 110036.861 163457.0191 162124.9273 125684.4905 236687.0686 118962.3649 62038.31192 78682.03851 31606.49137 105262.2466 89873.4761 188307.533 56149.10288 114112.8029 147017.2614 48817.82221 286293.8743
cGMP 81631.13745 39090.31517 47546.34911 22433.5341 10919.07757 3918.305659 22409.77672 2912.394463 21663.23158 40558.98959 31802.43329 11716.27994 45841.74387 6432.852897 23362.14289 32663.52518 31367.40344 25641.7727 33996.82426 36599.85706 16723.58921 27462.38505 22725.1376 6725.608889 9735.009861 14609.9816 29076.75861 11469.87406 14347.68802 36431.08439 18045.69575 6561.177027 31204.12462 28559.84212 11877.0922 43642.41239 NA NA NA NA NA NA NA NA NA NA NA NA 53159.73021 18172.88055 27948.07654 17859.97287 50637.03453 18406.48011 25527.11683 4391.642042 30000.30778 20998.40089 24974.58299 4676.835831 14184.81106 21077.30882 40327.80241 15753.84822 38806.7138 16315.62498 36425.38569 31607.46755 28798.24772 30389.12547 15405.2813 16787.68592 37530.48102 26051.65836 20706.36824 31106.84729 15166.01896 10846.9901 12387.02291 20466.97271 43513.24537 17805.24132 23779.55521 22465.01991 10058.06251 29557.37853 25402.36475 24824.98039 27752.74115 10594.33965 17651.14935 20392.34095 32744.54787 10222.8037 19298.76432 13.69570556 4120.282265 16245.15514 23238.98395 38308.37148 18942.434 32354.78905 23090.96028 24828.22382 28396.8251 17167.34504 32667.049 22049.36366 20554.35453 27384.86531 13556.3401 37048.10578 40438.47161 31496.34419 7397.507898 31.77274706 54635.2313 24971.66862 5699.884874 45846.84882 21943.5574 26685.41667 49527.33827 69620.09815 47839.0196 19580.79887 48617.4088 70852.20518 20793.88128 49748.08275
Citric Acid 18988884.9 4295317.133 7218445.502 589440.9572 973464.4644 770238.0927 326372.7652 440412.0685 1391517.059 831731.4303 840508.3464 478167.6468 778936.9716 501367.8785 1887588.394 3588220.944 1898764.775 1475752.605 1355239.556 1852942.751 672084.4047 2701908.315 1127329.496 888333.149 538510.8104 1389875.067 1878294.651 1050112.05 835281.351 862019.95 3533166.252 1252009.992 1636727.986 370519.7561 1184554.277 994825.2656 NA NA NA NA NA NA NA NA NA NA NA NA 753876.7183 1548100.713 556139.2146 1362175.634 1018205.741 904855.2055 1766775.395 424901.6523 904446.4438 1650562.29 1302526.879 230266.4274 862796.7751 484421.0106 784306.8061 7589835.479 6668736.713 1542164.057 1433490.842 701979.265 589006.1083 1125054.628 4181203.442 1723422.312 1058645.289 1708135.374 1998819.006 1174962.636 854098.8669 916423.6992 1697878.174 1632187.732 1851498.11 783229.5673 1200512.153 1457567.879 1022286.124 1161076.236 1158970.177 448115.6695 1047502.389 662574.4195 821998.2181 913950.5063 1192815.43 1092239.506 1254449.444 1217160.892 1381655.416 9120279.229 561087.8116 803768.7712 982126.6346 750966.9828 596612.4205 886970.2538 1047433.651 1261127.63 2567835.862 916718.551 1235797.304 1032264.939 1743893.52 635671.4471 6291061.323 4115512.017 1776560.848 2608794.169 2735536.195 7067810.199 5803405.364 1593024.136 5677658.277 6447277.565 2496672.275 5677984.726 3633003.138 10969957.39 5541011.587 10672194.19 7805741.739 4846454.59
Cysteic Acid 1695.866089 6313.093486 1109.072649 1552.136256 2110.064145 6133.44893 2288.285526 485.2466487 2439.081403 523.5118208 12940.95827 883.0873763 11721.12914 1287.495427 28958.05673 8677.364272 6635.556592 324.3782023 13078.86465 3945.681277 4373.501443 10124.60952 4885.144688 768.2849209 379.5373426 7555.316256 17746.50106 1589.278992 6463.090601 2057.611078 11146.38926 1243.463138 7742.727569 2895.265763 1290.036355 8933.638521 NA NA NA NA NA NA NA NA NA NA NA NA 15820.69001 10480.61462 10699.5977 5156.092702 8800.791173 4867.867694 15956.21946 1904.963968 7688.901207 16009.96137 11814.61725 1275.584199 9349.061461 21994.85232 12238.98441 19163.14485 10819.43488 1492.925057 10686.72489 3612.119842 5504.788829 5213.494622 7474.048035 9239.37208 13221.54714 5749.868645 6913.823434 5016.493838 30390.23389 36043.71719 11442.73609 12471.49333 22343.95438 5191.958951 37309.90167 31901.28626 10789.96267 21084.38248 13040.49182 15022.40951 10055.85001 2185.536797 5003.027929 11829.93206 16676.61447 12533.02017 15823.64298 18140.58451 1177.142952 15385.83431 9541.179016 13439.08866 7604.904944 2679.451317 22770.1595 23937.27701 28151.29018 14462.37215 20688.97788 23530.73893 18580.62013 11598.36511 26930.77913 3388.04922 7313.332518 8485.014852 10712.31215 7219.865968 9592.914875 17608.24021 17145.73336 9909.252352 11065.59638 27138.49158 11713.29393 6365.298563 5158.948956 10211.70266 2687.823438 12492.44494 15411.99993 40482.64578
DHPS 13206684.64 16710819.98 13521460.94 5217298.174 10415879.03 4251048.12 1668918.757 2324700.059 3099067.861 5229063.029 8520863.279 5281342.436 6601607.077 7124937.948 10660256.4 17770432.69 13022443.71 6017445.186 19835272.85 12669287.7 7793196.975 21761801.8 6209769.061 6184415.685 7794611.663 10320952.87 7627077.46 3770022.768 2259836.916 6368621.375 388541.5668 3609060.914 2948187.81 5982078.727 5578699.097 5620834.94 NA NA NA NA NA NA NA NA NA NA NA NA 4247387.187 11047968.37 4087521.336 17834135.35 18751446.1 8062507.251 17010571 9871422.432 9016308.919 4539992.487 8816024.537 3069913.032 7353637.421 4322556.956 10670782.14 2155472.17 5263774.528 10424688.4 7306611.746 6384208.689 5560556.809 7905988.079 5086501.146 12777575.21 12669309.19 14677993.22 10798130.57 4931538.977 7998580.525 14838373.99 18958598.96 9511129.61 17630151.26 9131269.662 14401939.59 32668011.71 21814562.09 18012312.83 15449058.87 25886740.51 13338010.6 11170706.76 19463857.26 12034186.72 22209472.51 32177419.63 31994637.65 12018990.27 34413617.13 4550128.647 15124281.08 9179735.131 4735258.046 7046658.93 15156468.32 15662574.17 11365036.51 7662079.106 12642185.55 18673265.45 18336076.24 8885492.255 32069796.95 16687422.54 15769687.51 16522171.43 25349451.03 16548130.72 4991372.774 19214750.13 7875546.358 3032883.39 2725322.946 1947662.126 6247693.954 1715320.366 6311411.045 3322158.232 5518756.634 4936377.137 5201835.748 10308827.66
Gluconic Acid 812168.5234 313757.255 856928.5291 41374.77206 14838.75286 28631.68913 28714.40142 45110.53542 26363.30835 12167.82608 27255.36049 17948.19016 34370.00894 18618.74694 85934.01619 847186.9926 151126.9145 309453.1562 200342.9578 110407.8258 94156.53771 113732.0767 203328.7486 96839.36479 38566.39073 113559.2329 114499.8457 77439.38497 160093.5808 11978.45174 125910.9031 28908.20233 356677.7549 26767.47207 121797.2822 195213.6531 NA NA NA NA NA NA NA NA NA NA NA NA 130239.3925 320701.6577 48373.7889 261897.798 130843.9841 181268.4205 292373.502 58371.21849 61367.53924 65507.97229 188274.7594 32848.83788 90707.46089 29017.52747 88429.5903 311560.9474 426256.153 45900.07379 128943.0366 68194.73081 57518.52622 137743.0131 307222.9169 271061.9454 332297.3177 252018.9511 243260.442 142456.2832 150794.6399 185199.8566 265544.9799 138995.6542 206529.4453 83611.57064 136137.8362 192246.5984 149495.8727 63374.54111 526083.2079 362781.6246 192504.7755 61535.47767 299951.126 169434.4458 230442.553 292854.3477 680684.4836 161859.2181 239940.7402 349913.6071 135413.3041 44992.19084 197238.4274 224449.7214 29787.42496 170419.8685 564506.1293 369359.0534 1436117.205 472806.5442 306210.7356 110542.5533 301931.1252 891708.7046 757974.2555 639730.0511 145653.1959 158020.4299 555756.8271 1015819.806 576826.5756 332347.6866 345733.4839 184663.6846 340737.3249 300597.4859 684089.8661 302376.2477 318963.8858 388712.1706 411652.5199 1086485.777
glycerol 3 phosphate 742594.7426 192289.5422 286289.3475 274457.0717 375859.0404 353386.8426 630639.8205 160163.7082 790603.787 304643.1481 177401.0786 264472.2778 333643.9651 294983.4089 691544.3506 666402.5058 313954.2945 536847.924 643969.9276 512607.2182 285272.2401 375477.4373 321368.1134 319200.5553 226025.8561 459580.8096 575468.2284 331302.0123 263440.6264 283654.1412 120950.1813 84774.67443 77774.63633 504321.7603 325502.4448 465783.5625 NA NA NA NA NA NA NA NA NA NA NA NA 483247.9832 491138.5697 421055.4153 667979.871 810670.1059 325417.3324 711796.3121 543459.5238 609221.7842 877546.8454 687040.8818 318654.0869 766423.1837 573318.4901 502380.6147 401566.0775 496300.8047 218275.2945 611048.3856 549233.8853 515390.081 788429.571 899969.8739 1510980.141 747284.2985 1093807.953 856709.7448 591376.9058 555291.6045 725946.1646 899983.7791 817478.4206 1100605.667 819365.8185 909869.9297 1676653.314 819883.0208 1157950.06 667798.1272 491743.505 720796.552 947325.1126 565462.5589 826483.7244 1052892.294 788116.2576 979864.1081 135309.0308 188865.5497 309584.7361 497863.0069 846960.9013 454218.4697 613629.0297 611981.2072 744772.5857 1149966.412 718879.717 1590899.955 943016.2509 686321.4694 609345.6894 1212815.491 738937.6413 247874.8202 443539.3344 187974.7244 235228.18 413528.1981 478991.944 478599.5873 356681.6088 428688.9621 351920.616 295623.0921 326254.8801 355291.5012 378492.898 298963.2758 327115.0504 488227.9844 354990.2966
GMP 35710.35591 42222.7116 59554.29801 390.8007039 26672.25319 5448.735443 9328.549887 3541.957177 348.1053755 8278.28166 9716.866386 287.5656071 1949.765644 11847.65011 19277.54477 4478.717595 36152.11197 3129.143476 13623.94831 9806.299442 3281.577862 49112.99022 12651.21902 23604.65658 3168.422646 17377.64354 9875.57091 16180.07576 10878.03636 8374.378297 439.0364919 9196.21938 15496.39546 8187.387503 22450.67771 5632.659481 NA NA NA NA NA NA NA NA NA NA NA NA 4489.93312 10995.4634 12341.62144 18386.77235 7961.591812 9931.08818 18536.51451 18835.301 246.927087 13945.33064 12468.18265 174.2148941 2575.940509 2902.329788 2594.53104 23178.93945 65715.51685 8364.530262 17227.69646 8007.744186 4399.488848 11845.36493 2189.243155 134.4059931 17807.90995 8841.184202 14152.90461 3573.665535 24448.10333 17591.77159 6755.425289 12802.41168 14174.11295 5321.396485 9777.612635 10280.39353 7067.709021 3465.877389 3917.812257 7852.639712 5068.624226 11401.76648 3821.201726 6687.80665 24876.12406 5655.306719 14328.29502 25101.36431 23174.14799 18393.44735 7860.737005 5901.541692 11825.56385 6872.020559 6101.51575 9595.152929 10921.04221 119.6039638 7714.846728 9101.786756 11657.98263 11948.00601 15456.32821 105.9711841 60642.51069 17149.57827 27151.74495 28682.86871 71605.68293 85419.98271 22628.16433 36406.71925 74202.33208 615.061127 20012.79689 63434.84883 50519.37332 52842.6178 26858.3033 152230.6295 39630.38705 62763.42704
Isethionic Acid 5770510.772 3406753.446 3344877.341 1128521.75 1721779.353 1116139.401 428500.4839 389113.1065 660812.2688 763814.5551 1336844.65 790195.093 2034956.982 1180177.791 1813966.284 2640924.974 2066208.403 992423.4882 2361034.446 2086497.135 835124.2923 2088303.269 679079.7914 914173.7171 1012473.002 1112390.193 1342372.853 635750.7808 540381.4462 1193662.026 259787.596 1060202.658 762434.6792 678299.4244 988736.5156 855328.3059 NA NA NA NA NA NA NA NA NA NA NA NA 710285.7593 2390881.963 566993.935 944381.8741 1008486.147 673358.8242 1552648.102 566535.848 1000160.3 482688.8768 786239.1782 364767.6082 892899.1781 564970.3495 1090187.568 916819.6065 2285644.177 1422934.827 941956.5353 822125.0662 417135.7039 753521.2889 594819.5629 954196.8178 767518.8567 1060272.116 1025313.272 890777.7574 915246.7435 1113271.702 1442090.928 898578.7093 1380962.761 1036004.471 1046557.335 1911489.355 1179684.05 1454111.801 1732815.133 968269.836 819292.6824 716724.142 797568.724 866479.9551 1345140.859 905644.9365 1638718.58 2454338.364 4017415.804 3330511.84 869043.9356 1019824.713 1290745.214 735364.9414 994202.9044 1192988.562 1165522.316 1007581.851 831787.0865 1085315.842 1232997.457 1105917.639 1250484.968 1061891.384 3633898.817 3643139.083 3680903.702 3928031.243 1817607.541 5727042.311 2187859.061 1072568.839 1251520.132 821999.7495 1506008.122 931790.871 1641988.361 1247018.3 2222243.822 2650227.982 2158246.864 3167758.498
Phosphoglyceric Acid 88730.85714 56947.71429 59950.28571 21044 25102.80702 31490.32258 24760.96774 13960.57143 32940.66667 38193.42857 28082.58065 13590.96774 32591.14286 20797.14286 57148.28571 110447.1429 52150.28571 26174.57143 58199.14286 45376.85714 32326.85714 50141.42857 30649.14286 30630.3125 30840.57143 19913.71429 33002 31083.42857 30090.96774 36104.19355 1271.051282 17324.88372 27926.66667 6714.285714 27737.42857 41145.71429 82986 42926.85714 73229.42857 51132 38277.71429 32154.85714 57215.42857 62424.28571 86446.28571 11565.42857 23396.85714 88106 1416.314286 20953.42857 25851.42857 31163.14286 5916 56705.42857 16189.71429 14399.42857 13055.42857 51878.57143 45137.42857 19573.14286 55354 17200.85714 6778.965517 23374.83871 75518.79518 20672.33333 59593.71429 21839.14286 45982 55048.85714 36980.85714 55457.14286 33878.28571 49582.57143 55483.71429 40531.71429 32738.57143 46974.85714 30533.14286 36533.42857 77714.57143 33570.57143 44759.14286 41539.42857 48181.14286 27281.14286 62278.85714 1849.428576 62731.14286 21326.57143 43158 34393.14286 31477.14286 43137.14286 18995.42857 35688.57143 25846.47059 15155.58824 22182.57143 19383.14286 34827.71429 33827.42857 53952.57143 32874.85714 38619.42857 9429.428571 6562.571429 10518 28980 40427.71429 37140.28571 1416.314286 51356.57143 48594.57143 24419.70588 31682.85714 60591.14286 65320.28571 50597.71429 3873.714282 11079.42856 31883.71429 25901.14286 38440.85714 50211.71429 37225.42857 47678.85714 54090 69751.53846 37280
Ribose 5 phosphate 56642.04119 36701.21441 24353.20602 13202.00032 21664.20629 46056.6256 31280.99878 8707.199634 26414.19883 2371.906392 8785.045233 10470.93799 21750.99175 21269.91672 32042.11424 128253.8126 24744.82309 18735.96501 36674.4087 14877.71877 14299.59579 35947.36923 30930.57754 46032.67219 392.6300067 59771.26896 8602.452496 14281.64745 17267.57875 6275.667605 479.6252931 2193.479544 9447.061137 16622.24231 20022.31959 40915.92243 NA NA NA NA NA NA NA NA NA NA NA NA 13709.4288 23197.37618 24012.85428 19311.06424 47660.64935 13600.53589 51767.10911 5660.98788 17843.07668 40111.40394 7469.815482 10149.60419 5386.936324 11334.10656 7964.740219 20575.05656 61337.2883 17619.55462 13481.82393 42903.74169 8571.433596 14615.38898 38564.33294 24930.65692 31996.68995 25211.50963 59296.1799 33248.91997 18081.50044 29202.21604 43777.3628 24701.65788 43664.63401 15438.03925 38505.59879 67412.69926 29541.1287 57460.78382 32927.44307 31589.92709 28374.02422 46965.53786 11060.2503 15117.22063 55269.81465 25339.37449 57216.1997 9388.020755 23594.99512 3883.91624 12375.88158 40723.73272 38331.58683 20591.84397 13167.72883 37033.44658 20402.87201 32170.71367 39011.27105 51214.41596 43824.51314 35786.79038 48353.93629 16885.25756 20871.50145 29632.71984 18568.29694 10137.92499 55970.74306 65368.1104 58120.37765 11294.93497 18049.63594 4503.416079 6288.685652 8903.588328 50780.49517 31750.85974 26260.63241 30431.99478 22576.9286 29057.12809
Sucrose 338803.1508 248716.4737 381814.5383 274023.3862 324003.5027 439970.2155 213018.2792 203423.8032 249727.7888 114960.7811 274344.0187 190158.7883 59638.11296 74186.40532 64093.31847 125848.3167 192611.2636 79946.64844 276263.3698 342170.4189 326327.4204 377414.889 301370.4772 419095.4309 344277.7141 298084.3691 279828.6389 129791.7506 157058.8342 178463.2072 124583.8366 140401.3302 115261.4735 145040.6664 106574.217 127937.9267 NA NA NA NA NA NA NA NA NA NA NA NA 230552.3731 237827.3511 175116.543 326784.1035 721511.4168 396124.3792 408466.2331 499038.4961 462618.5717 331991.5929 298870.199 207022.0484 159231.2357 73382.69373 557146.5407 153351.3488 92326.18999 71684.79181 128172.7299 66421.69384 62379.43107 110111.6408 185194.0002 438216.2449 704938.2633 876039.0326 591886.1034 579951.38 760885.2498 555052.4117 622593.742 341327.8316 150322.4333 205838.7548 144325.0029 138995.6306 113522.9076 188932.5118 244382.5252 354642.5855 499586.3895 804339.5319 730696.6116 627349.4158 769470.7683 1307831.251 1325174.963 235210.2815 155641.4161 275998.8456 691768.4058 558622.7153 512210.5391 78197.47458 117723.5816 232296.5629 503259.7936 368425.1641 240694.6874 482648.0438 412341.1085 390587.9029 760081.4217 729506.8101 251679.5192 310646.9884 153567.7764 240299.3197 361400.2748 345490.3302 341601.0586 332557.1152 245335.417 291960.4554 142874.4343 226112.6344 61892.58803 153915.5926 117655.1667 172751.5167 170120.5457 231613.9676
Sulfolactic Acid 51546.14424 37145.47933 52658.78804 53525.00653 15276.08214 29893.96302 24712.42239 62962.0711 44038.1344 54978.84695 44589.09849 31914.1996 33535.81844 73609.63119 85268.76411 66782.0181 72911.6779 35921.15725 36581.92406 77504.43294 30681.20488 49129.90372 25714.22964 39546.77292 56708.22557 58324.04792 26450.29893 56394.45632 50081.7731 43386.54912 19979.58033 27093.36056 48714.80622 95809.83216 58366.11077 29653.72224 NA NA NA NA NA NA NA NA NA NA NA NA 65137.70484 63407.97143 40129.02658 60457.55276 59485.24236 33810.50378 32671.97739 15981.57984 39887.93642 42696.04723 50520.96189 30271.97008 108697.9658 33300.84541 88714.55206 30250.23221 28084.62767 47190.051 45375.0616 39001.6953 75521.41321 38242.12495 50773.16677 63529.98233 40080.1011 51006.76753 36800.97875 55835.73039 62327.74231 65072.48182 47778.61083 44279.91455 49111.24125 54717.02488 41245.36561 51297.2271 29697.37629 49796.39937 56511.48333 66494.7483 57219.94529 48822.90866 28463.96186 46955.45786 53442.33835 49795.99309 59153.18061 32629.31802 93802.27414 21691.66977 39614.1341 47270.942 41859.57382 41819.62573 41751.59502 41922.44191 90426.53157 36408.9922 77073.24474 94942.24313 32937.32332 28664.53083 59462.42123 55201.20119 20794.55732 27246.69175 45835.04878 25056.28502 34807.63882 26297.2736 25598.24025 13011.50092 22640.07449 80620.39755 38110.15953 33314.04457 24740.5568 27044.88988 7509.995149 72433.44187 33511.62853 28914.452
Taurine 3667950.278 1474026.505 2945762.38 938293.5522 1817965.634 1547570.444 512329.5664 564982.5022 1280560.044 607832.6481 1569508.534 1062233.082 5854374.447 1288660.293 1409057.327 3321332.155 1341141.868 1427808.168 2300340.555 2493702.882 953766.4564 1852545.264 1645009.332 2604860.882 1359687.206 1936020.995 2011759.502 1239363.262 1139943.284 1397566.584 415760.7311 1194681.992 935474.7214 1460995.621 1770700.517 1349610.697 NA NA NA NA NA NA NA NA NA NA NA NA 1616933.682 12768263.98 1138077.708 2312023.927 1694646.232 1068787.6 4585447.424 1289731.435 3229910.254 781099.0349 1686265.27 585640.8899 6968766.433 1235226.983 2398887.384 4557783.491 1431521.005 1115288.32 1708890.895 1887352.72 849781.2501 1590536.242 1455405.557 2178175.156 1733299.891 1688150.395 2420510.328 2392530.011 3146360.062 1817069.894 3198735.378 3448334.302 3032005.208 2274148.378 2277577.062 4795842.236 3315087.217 2552969.093 3684700.718 3056714.85 1901374.555 1455195.827 3475953.226 2094029.008 2516278.943 1841260.426 4688793.109 1564063.828 2063154.637 2502547.923 1795635.527 1665706.609 4097397.546 1535506.696 1952502.379 2833733.797 2427944.664 2710735.278 2684614.06 10263789.21 6086681.641 2072126.523 3470323.614 3013605.693 2947493.998 2273432.273 1751305.775 1809587.453 1601466.936 4548150.866 1484259.146 1123139.669 1516934.721 3828663.739 1117154.698 1770425.651 2577768.231 1116742.917 2234386.245 1609453.282 1949175.711 1748281.763
Thymidine 24921.51183 17087.25011 2231.045818 14470.16774 6673.570495 4076.726255 12537.5832 26945.20961 10359.45466 22996.63024 10143.72084 17478.8559 14791.86102 21983.70389 3104.510944 98246.09224 26718.69966 55534.64781 27585.02394 3656.209348 44212.91235 18374.11917 39626.75948 15047.84249 20844.57064 6442.694133 18075.54487 11351.23101 35743.02121 20439.4088 2744.858254 2501.39 3041.689191 25505.09484 15623.13539 25503.1646 NA NA NA NA NA NA NA NA NA NA NA NA 19244.06497 16578.97832 33549.31909 66219.84181 88274.34342 58809.93839 92905.63601 157310.693 60638.28976 63168.90497 103509.2087 37835.81613 171829.6723 109566.8849 23767.48782 3017.424433 2450.428837 3003.215532 69705.73952 72808.2772 29807.62873 69524.99776 53237.30141 100817.0046 137976.5419 135810.4179 105434.8535 67825.91268 32256.4438 164105.0766 179672.3978 105370.1754 209081.3292 76865.37703 139963.9701 338837.8381 64182.35777 76201.83603 58471.7605 19751.17388 32623.83456 64966.90486 20192.52498 44047.97239 128274.1538 69847.70207 106390.6444 17702.61693 2367.978206 8760.259025 32259.11984 88170.38948 27946.57202 30409.04334 61526.81125 51712.52072 41069.18032 19956.10142 41654.97495 53418.861 40059.9924 58548.9616 147792.7148 33174.13727 2032.78727 23776.81031 7702.911847 6275.260862 5744.621607 2367.616162 2679.169795 2675.852217 9188.461468 5459.291797 14092.6774 2378.786982 2968.293541 7492.716681 9105.537258 3237.875242 14386.56352 4245.503703
Thymine 35217.95837 25088.38776 28717.19773 11913.53216 25806.14989 19803.83273 16911.17111 4160.078558 49626.9536 22033.7184 8486.741214 22473.24129 21964.80295 32508.08323 47824.33261 175021.6469 14800.94542 76681.56593 57534.61409 66108.09232 32443.40667 31929.44981 54323.74032 23573.1021 22224.45699 81780.86066 45481.08464 72405.7802 51787.77955 16533.53771 1946.108083 8513.065276 12323.35106 52405.2187 24099.2466 51797.03275 NA NA NA NA NA NA NA NA NA NA NA NA 25762.78646 83558.10015 83291.98723 148941.1844 216665.437 61657.82681 187326.8416 228281.6077 122506.0977 92803.12967 235939.1748 44683.24453 333170.1867 213072.4166 57039.21166 20814.4974 27866.75992 11973.65223 145568.1095 125110.7581 52214.3824 130746.3281 70915.26412 169335.2829 236515.9028 211598.3422 157973.0061 273918.2557 47792.69064 288951.0456 337371.3863 171011.1659 349063.4046 160027.5111 239422.4311 384384.3349 191752.56 231342.4371 142687.5772 84827.79254 138224.6034 188685.1145 84261.49684 84203.42016 239718.757 326832.1547 282620.4403 20985.96042 34673.28163 4344.557193 166679.0079 223553.737 92418.51051 66747.70854 101210.3759 157523.4235 228918.2365 71824.36658 204877.2137 172089.9109 150585.6866 89248.64542 292846.9483 102939.3615 7095.805571 19272.03721 43207.77781 9615.654186 28727.30494 17498.13659 30773.08964 19121.32831 21482.4767 11196.34397 16634.95497 22106.79373 25955.90215 24636.26713 22415.404 5076.99895 4594.495246 28033.50701
Trehalose 964518.5889 652185.2762 586623.7704 45882.72075 59042.69293 47348.80858 18109.91966 16177.74511 13747.32185 42862.10895 27094.45241 45415.85079 48019.4203 35830.49772 49789.28789 352707.49 255946.5218 148676.2946 346178.5979 362357.2286 350811.918 94772.72634 97787.05894 74309.45071 20867.9775 62806.58358 39009.92017 19030.99491 43736.32584 38991.21642 166292.0322 103205.7604 49453.86065 62788.7545 107174.7924 33360.95729 151898.3798 261866.3439 450211.4648 937507.5084 343308.0523 460269.9655 164609.9535 67999.22782 89914.83814 27302.56177 15101.54095 52181.42634 11729.56571 24481.92234 8935.395196 564531.5611 739167.2743 893650.5943 112011.4174 64175.02578 110337.222 28463.23176 38462.65138 30653.38364 22350.9008 15991.72939 25889.16621 156865.55 156052.1045 141348.3743 107994.5171 24730.38723 66411.80145 272456.4179 349527.0069 1169974.262 718468.4919 455678.3798 248393.7344 223872.0599 87730.80767 39603.94988 49798.32775 50962.40999 64000.74589 6024.644917 34877.77677 110180.3603 97088.61669 32132.9072 399330.6494 NA 366621.2624 170966.6407 460854.6104 323507.1518 105678.9098 131455.6042 90831.58329 415653.4503 427209.6031 274936.9277 33420.78695 28077.58904 28672.12803 31413.28506 34866.31277 167370.1218 59247.54402 92969.08131 299834.6481 320479.6118 472440.1375 337418.1636 429600.5941 1047076.09 819278.988 401192.9553 608005.2263 174385.3755 206504.9359 170819.1063 120611.6387 72572.40762 69431.6264 100116.9283 37218.96898 72530.27518 128105.347 199731.0083 130172.442 270691.7732 351268.7374 330737.3488
UDP-glucosamine 66454.58299 5817.267877 30056.72468 10738.44313 6760.418019 34990.57817 4387.181578 7541.753087 37523.87517 28477.08541 15595.19327 2234.854163 24164.12904 22618.2216 55796.17485 30607.45098 23330.09104 21608.88628 39345.50558 61320.48119 24614.19437 45314.81032 11751.25569 28159.00003 9244.570203 24073.20391 16912.42161 17194.28872 22150.0222 7222.113282 23140.68424 3189.807687 46039.3296 35104.30644 33732.31927 30705.83249 NA NA NA NA NA NA NA NA NA NA NA NA 53347.41315 45617.10868 20946.01538 26086.88504 11839.17666 20656.16429 43931.31976 17691.59916 23353.46646 15399.73148 17432.44496 1705.439382 17473.67983 13694.3605 28670.31492 54732.38166 55862.31147 36334.13245 21681.15297 18485.97749 16613.37895 28126.23931 37355.97592 39950.77527 35440.23941 21016.9411 9108.315959 37181.8918 14027.25463 22675.18075 27962.78535 36815.07273 35166.36393 22347.70207 15026.90178 91576.92686 26575.41873 82922.69956 36530.70572 40783.74692 23392.82408 32256.79416 12792.90563 21417.50405 18131.15526 18584.44205 28527.34077 40454.30503 14185.7509 72860.78646 9968.738125 26130.58491 29433.7544 33884.45052 21972.93062 50303.42445 53286.91718 37002.80643 67017.04007 53342.93134 49314.14267 21284.09887 51990.63261 37150.54026 24337.38906 24677.9472 8868.310836 17196.11471 42795.32384 71029.80123 18023.39756 27001.61917 53629.74905 41498.53524 21014.67054 10161.62356 56409.12964 32043.90739 41965.56322 49443.03543 45407.45977 47065.93825
UDP-glucose 87319.76424 115891.3083 95829.28996 22001.79222 9838.697945 36182.15541 44983.46625 7962.489995 3221.318347 3955.856918 12152.8858 15030.21949 37151.747 13544.43974 26441.54499 40640.54613 30701.40943 26197.74925 36906.17346 29570.32527 24502.10408 15432.65297 5074.531356 57251.73516 26194.21247 1.788015 13536.02927 7418.539218 12773.53804 7849.182968 8608.357433 54176.22309 39918.9604 61353.41087 14801.61212 2481.473235 25852.35209 20823.32472 36744.37332 30112.28213 23648.22532 24531.09878 25619.43165 7775.441654 13619.04686 2770.271206 930.2808385 26041.51017 62140.77893 32016.47261 5365.788989 37308.62851 42942.412 22757.83114 23020.60815 17018.12653 14962.21 12628.52093 31726.49327 10416.01937 16450.9578 28721.1563 29654.46685 42032.54914 37663.56779 48324.74094 23743.33406 3825.794812 0.659539944 26591.92379 30403.99822 61706.17895 14033.71747 6256.756217 0.84773228 29639.57467 12696.27332 26190.98073 42461.70677 4378.954102 4878.789378 19005.88313 14270.87979 4093.855279 23079.29708 13775.94975 6079.77853 NA 12437.58984 11488.94106 18289.04123 17328.60975 16924.11819 5215.57 15024.11156 69588.33479 83510.01196 11504.91985 21605.69362 11009.38663 1991.418081 8812.187095 1.067220488 20542.21686 51939.92189 20019.22251 24711.61985 60742.55657 14718.27622 17449.24573 11148.83091 193898.4031 86127.43141 88716.19241 153729.049 63611.20826 19127.03178 61065.24133 18715.31273 19867.99559 50338.45513 17935.18999 23236.97536 21134.46502 38724.38303 17228.45021 40837.98091 54209.11953 47072.42339 139650.9866
Uridine 159873.0764 112682.3193 121111.5768 178521.1757 174815.5459 53208.68944 103694.3202 74682.31677 377964.1473 110737.2746 120582.46 153326.8692 216974.3858 134847.5004 163548.492 788452.4173 152047.6777 324925.4968 316309.7215 262872.6298 216162.9963 223572.0322 225739.4735 148994.5649 102049.8208 229297.4535 166589.3601 164585.7395 179976.7911 113543.3082 2822.689774 56851.61863 45535.03085 170351.9959 164175.0392 296755.9369 NA NA NA NA NA NA NA NA NA NA NA NA 218026.8678 247331.8636 248047.8198 372707.1948 479472.9338 320633.5641 395283.8528 385614.9039 410994.9232 184407.0308 569088.9289 140031.2109 788428.9131 349532.7268 245995.3073 72615.47823 111934.1614 118743.0613 286472.8446 312067.2408 257975.3219 295181.7467 296076.4316 441607.8014 551178.8769 540208.125 347451.0181 371197.3672 212151.2502 467679.9948 586225.6771 449601.9514 546014.1873 298295.8963 534506.5212 1705053.023 536752.4189 536010.5277 265113.819 240039.0099 261355.1051 468474.2702 126504.0973 352781.9816 455964.0035 379680.9581 397467.1502 131586.1449 162763.5468 34448.56083 231141.8517 573324.9598 223957.6016 246128.8823 301994.5469 292676.2401 465236.7631 155151.7362 555339.8484 399284.5255 259804.736 441975.0806 724185.656 279744.6349 107114.078 82454.91243 248713.3577 37507.09611 76957.32727 113089.0162 101010.9278 78489.38384 38930.80422 47689.243 47852.90277 61600.08159 158278.4027 68494.38309 88014.55575 41155.90383 119722.9862 122678.2034
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name CHEBI KEGGNAME quantitated m/z KEGG ID
Isethionic Acid CHEBI:1157 2-Hydroxyethanesulfonate; 2-Hydroxyethanesulfonic acid; 2-Hydroxyethane-1-sulfonic acid; Isethionic acid; Isethionate 124.990857 C05123
Aconitic Acid CHEBI:32805 cis-Aconitate; cis-Aconitic acid 173.008615 C00417
cGMP CHEBI:16356 3',5'-Cyclic GMP; Guanosine 3',5'-cyclic monophosphate; Guanosine 3',5'-cyclic phosphate; Cyclic GMP; cGMP 344.039613 C00942
GMP CHEBI:17345 GMP; Guanosine 5'-phosphate; Guanosine monophosphate; Guanosine 5'-monophosphate; Guanylic acid 362.050178 C00144
Thymine CHEBI:17821 Thymine; 5-Methyluracil 125.035103 C00178
Sulfolactic Acid CHEBI:50519 (2R)-3-Sulfolactate; (R)-3-Sulfolactate 168.980687 C11537
Trehalose CHEBI:16551 alpha,alpha-Trehalose; alpha,alpha'-Trehalose; Trehalose 341.10839 C01083
UDP-glucose CHEBI:18066 UDP-glucose; UDPglucose; UDP-D-glucose; Uridine diphosphate glucose; UDP-alpha-D-glucose 565.047204 C00029
glycerol 3 phosphate CHEBI:15978 sn-Glycerol 3-phosphate; Glycerophosphoric acid; D-Glycerol 1-phosphate 171.005853 C00093
UDP-glucosamine CHEBI:16264 UDP-N-acetyl-alpha-D-glucosamine; UDP-N-acetyl-D-glucosamine; UDP-N-acetylglucosamine 606.073753 C00043
Uridine CHEBI:16704 Uridine 243.061713 C00299
Cysteic Acid CHEBI:17285 L-Cysteate; L-Cysteic acid; 3-Sulfoalanine; 2-Amino-3-sulfopropionic acid 167.996671 C00506
Ribose 5 phosphate CHEBI:17797 D-Ribose 5-phosphate; Ribose 5-phosphate 229.011333 C00117
Thymidine CHEBI:17748 Thymidine; Deoxythymidine 241.082448 C00214
Citric Acid CHEBI:30769 Citrate; Citric acid; 2-Hydroxy-1,2,3-propanetricarboxylic acid; 2-Hydroxytricarballylic acid 191.01918 C00158
Taurine CHEBI:15891 Taurine; 2-Aminoethanesulfonic acid; Aminoethylsulfonic acid 124.006841 C00245
AMP CHEBI:16027 AMP; Adenosine 5'-monophosphate; Adenylic acid; Adenylate; 5'-AMP; 5'-Adenylic acid; 5'-Adenosine monophosphate; Adenosine 5'-phosphate 346.055262 C00020
DHPS CHEBI:60997 (R)-2,3-Dihydroxypropane-1-sulfonate 155.001422 C19675
Gluconic Acid CHEBI:33198 D-Gluconic acid; D-Gluconate; D-gluco-Hexonic acid 195.05048 C00257
Sucrose CHEBI:17992 Sucrose; Cane sugar; Saccharose; 1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside 341.10839 C00089
Phosphoglyceric Acid CHEBI:17794 3-Phospho-D-glycerate; D-Glycerate 3-phosphate; 3-Phospho-(R)-glycerate; 3-Phosphoglycerate 184.985118 C00197
METABOLITES_END
#END