#METABOLOMICS WORKBENCH aboysen_20200323_214645_mwtab.txt DATATRACK_ID:1950 STUDY_ID:ST001356 ANALYSIS_ID:AN002259 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 Thermo Q Exactive HF hybrid Orbitrap
MS:INSTRUMENT_TYPE Orbitrap
MS:MS_TYPE ESI
MS:ION_MODE POSITIVE
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
Adenine 642628.6429 11029612.57 16664748.57 6772127.429 10421769.12 7709041.935 3164643.548 5063948.571 4145127.667 8453574.286 4249117.419 6324209.677 5819969.714 7397485.714 10523539.43 15934868.57 5114750.286 9603298.286 6171605.143 14277117.71 12723947.43 14308162.29 6395909.714 4515234.688 7158621.714 14613766.86 14704892.57 5515934.286 3975016.452 6055128.387 2507125.385 5943993.953 4112788.889 6669200 9883017.143 6789796 20207085.71 18941289.14 38418057.14 48897741.71 31305188.57 32257581.71 26067609.14 39684571.43 52887794.29 19789844.57 27804004.57 26694477.71 5532444 8338306.286 9223700.571 19706854.86 20783440 20623920 30627067.43 20424955.43 15434209.14 23035700.57 38984576 11847412.57 33768804.57 36682134.86 15361917.24 9495958.065 12250634.22 11745900 24344560 19690020.57 8997317.143 15825482.29 14059610.29 22565604.57 51852233.14 51960987.43 30484649.14 26617888 12369076.57 26702041.14 36469090.29 26625860.57 52393595.43 32130226.29 40222432 34733332.57 33562208 19310758.86 12817243.43 8529128 16074660.57 18991381.71 5995155.429 16612568 26134361.14 33864809.14 20337506.29 6652421.714 10299165.88 6348212.941 24877725.71 22151417.14 9389027.429 11891740.57 12733006.86 20548404.57 14080961.14 6110597.714 16896225.14 13413666.29 12925824 16907605.71 35264226.29 12581584 10969125.71 10672254.86 19248494.12 6293285.714 16543043.43 19277979.43 16790438.86 11979003.43 11497009.14 8178748 11867997.71 9080293.714 12922490.29 13245646.86 16082586.29 11726985.71 12562196.92 17470018
Adenosine NA 205789915.4 266554989.7 61103789.71 146634060.4 111930033.5 38734376.77 62075186.29 56157888 50908932.57 59112113.55 57646358.71 65628745.14 55633558.86 136984493.7 88192923.43 42376585.14 66731460.57 51086427.43 176858112 82012352 101152640 57445869.71 71218805 60943744 138298733.7 153853714.3 59285641.14 56687932.9 56492748.39 46540693.33 117915430.7 138932000 52905325.71 68466875.43 59619926.86 150589010.3 100636635.4 226953453.7 187192868.6 143666678.9 134872118.9 162217654.9 130145042.3 139016512 85954102.86 212191872 155053860.6 46627446.86 49646354.29 44235611.43 51157385.14 63992644.57 81612580.57 54687693.71 37141732.57 53634870.86 52921385.14 80333412.57 44334587.43 64840086.86 50835488 73844369.66 150566689 123844773 221224341.3 58973037.71 55830144 42869001.14 47726985.14 49566738.29 52659707.43 91157933.71 66504256 79389266.29 60873097.14 72046912 35767243.43 47907446.86 54368498.29 55269494.86 67638381.71 58124036.57 60202971.43 82498514.29 61785531.43 51050939.43 52655808 60747862.86 57371881.14 34323108.57 64676795.43 60449997.71 60322102.86 68828205.71 199275300.6 227174400 115512630.6 66215757.71 60484356.57 45058116.57 58740356.57 59403437.71 67070523.43 33145652.57 40873257.14 59969462.86 60671817.14 67302738.29 65655716.57 55020539.43 43049682.29 203823981.7 132737956.6 236755463.5 118565101.7 138206720 248131584 157599872 125170249.1 111560676.6 70790070.86 161677293.7 140211081.1 229111899.4 155936164.6 160228717.7 158998171.4 146144160 304972480
Betaine 2684981248 2251641271 2831462400 1587884471 2010552859 1534863030 14024339.49 796583862.9 1730360832 1246791826 1944844222 1114048000 2130325211 1554859739 1900937070 2803403337 1817128960 1218193627 1931983433 2429299858 1283367205 2503587840 1526962322 1710865600 1432426203 1867359086 1589548032 1328130341 1024082168 1590775412 487314740.5 1323015978 1277609671 1968952613 2257810139 1358209609 2082278693 2035167086 2400797550 5814791022 1311333230 1494229431 2112432274 2459842267 2540229486 1030162725 1332580645 1796271543 1923557083 1978095031 1017403246 2051226770 1869089938 1463809902 2097569499 1259518245 1799664933 919790372.6 1542459392 851658825.1 3007617609 1288631150 1848405098 2176461461 1621231591 2244088661 1470666021 1428333275 1105875456 1661290496 1683654656 2157958290 2156103095 1910273317 2258281179 1833851465 1413532965 1544613595 2122316215 2105518811 2265587273 1629847698 2144717385 2212109312 2424569271 1593978734 1561682651 1849484142 1925381998 1100798245 1408293449 1625584786 1658256238 1830699447 2147878619 2234250386 2898505487 1372072056 1365105518 1116781349 1735673271 1527876462 1563409115 2618936759 980685531.4 1149080942 1777052672 2232748325 2896241225 2077592869 2360648997 1618734226 2690147474 1958871333 2475705073 1643542382 2070403950 3599707282 1908124818 1242575287 1472263461 1467977874 1699172791 1982425819 2995351845 1868778057 1938554587 2022776869 1798171372 3472472064
Cytidine 1167.357143 2154378.857 3377891.714 1245738.571 1455161.754 1034028.387 409623.2258 543735.7143 1858597.667 1184276.571 1155313.226 1022701.29 1476063.429 1391289.429 2542981.429 4159999.143 1551186 1234675.429 1838046 2458252.571 2088949.143 2925288.857 1292059.143 1401513.438 1015498.857 2007492 2211889.143 1066038.857 792628.7097 1093125.161 557433.3333 848651.3953 1101314.167 1724921.143 2552445.143 1229192.571 3793151.714 5073758.857 6121079.429 8981130.286 4355854.571 4995148 3776672.857 6984584 8997309.714 3331152.571 3390924 3832347.429 1646237.429 1654755.429 742956 3317887.429 1419255.429 3482321.714 3640317.429 1276954.286 992393.4286 2178569.714 4014152.857 770196.5714 3885406.571 1907120.571 2087716.552 4730564.839 2882840 1406754.667 4048847.143 2606089.143 1309652.286 2711215.143 3512871.429 3834500.857 7912244 5445293.714 5873210.286 4042108.571 1671302.571 2654811.429 3777839.429 2934045.714 4881113.143 3002328.571 4690618.286 2388095.143 3477047.429 1306404.286 2406655.143 1518451.714 2937557.429 1585966.571 1532002.286 1289685.714 2593900.857 3400748 3640818 1586885.429 2027474.706 1480560 2664313.143 1307864.857 2251691.143 1682623.429 1960139.429 3405762.857 1374849.429 1080562.571 2461468 3433110 2972430 1531454.571 2269690.857 2175984.286 3422964.571 2084743.143 1995000.294 1010478.286 2146463.429 3608664.571 3139492.286 1340129.714 1602496 1170024.571 1600748.571 2701244.571 2382190.286 2259615.429 2833081.714 2739096.786 2606576.154 3167276
Cytosine NA 60107853.71 76562299.43 17296563.43 40790548.77 28135011.61 11852272.26 12060902.86 44941530.67 17988054.86 19523721.29 16782418.06 22106233.14 18584805.71 45544982.86 70057485.71 21715796.57 33209163.43 30046118.86 48149238.86 23869339.43 36300091.43 27431652.57 19435691.25 19663273.14 52104978.29 39665243.43 25141101.71 17376238.71 20099433.55 11289094.36 27093854.88 34774497.78 21422736 28873254.86 25626484.57 67277225.14 59667158.86 104416914.3 153024265.1 58211355.43 61291876.57 69610880 97301860.57 117950482.3 55710514.29 55217014.86 71037380.57 15437640 31941769.14 23796610.29 38646651.43 39792557.71 32704562.29 67527318.86 41430358.86 29382283.43 36580768 56817641.14 19270091.43 61547099.43 60651835.43 31975823.45 43111860.65 40764900.24 41789952 41036278.86 32839846.86 20203572.57 30209920 28510713.14 50370976 79624173.71 78190939.43 65446400 47203058.29 23712368 70488521.14 68120854.86 56387392 99761590.86 54080681.14 80315254.86 68465430.86 59174774.86 35546633.14 46183081.14 22007273.14 37797257.14 31552724.57 28877828.57 32567972.57 48967785.14 59106290.29 59931913.14 38244244.57 51427355.29 27379105.88 40995008 40108909.71 28404336 20957648 27792313.14 46086619.43 24517577.14 22869074.29 29312765.71 39828891.43 35536777.14 40335949.71 64272452.57 26888829.71 65106281.14 40593078.86 72919618.82 30032683.43 44795625.14 79900864 46611254.86 26513792 45933417.14 21687620.57 57653568 33865947.43 71113595.43 50716237.71 37719979.43 35856825.71 36144209.23 83484296
DMSP 208265984 445183378.3 334951168 138945837.7 236784729.8 165360320 62290585.81 45679460.57 74740544 110758226.3 155751741.9 186482745.8 390275693.7 206958043.4 114529069.7 198963273.1 134314715.4 172957952 321518957.7 215742555.4 96106011.43 229010633.1 162925440 167222750 86036269.71 249032960 282193261.7 103611803.4 172128722.6 202202797.4 83324168.21 414621797.2 1125509333 224088466.3 101817490.3 147413065.1 103294985.1 152097243.4 131547392 120225846.9 58657316.57 84438180.57 158376740.6 107394523.4 111420589.7 23844811.43 63038281.14 115496265.1 87998308.57 230246253.7 121212388.6 142080438.9 55341581.71 166689133.7 88072621.71 91254052.57 148416109.7 56318587.43 49499611.43 60525554.29 107116717.7 16054694.86 47323343.45 182844552.3 59705079.52 344149632 47685394.29 94762011.43 130315794.3 71280896 171346176 90433673.14 73854185.14 135422080 93781184 138899702.9 39169120 64774299.43 79961005.71 59032196.57 69073440 82169508.57 75485138.29 60464576 52653929.14 63541179.43 124138075.4 291842450.3 101086253.7 73970816 78374116.57 63768182.86 98328822.86 60247561.14 129569453.7 489236114.3 648373458.8 270390230.6 68297243.43 45659862.86 104784155.4 79852598.86 77044022.86 108144658.3 111788379.4 38176420.57 83963794.29 129097718.9 114295286.9 139332160 80151853.71 205204278.9 558138294.9 414476324.6 480783849.4 409124608 160106459.4 446690523.4 140683017.1 85188169.14 266654427.4 151922258.3 265816228.6 233621357.7 291686217.1 70369924.57 149424905.1 256112822.9 149646510.8 682336832
Guanine NA 138224082.3 227638582.9 100939520 132705942.5 166895174.2 42354590.97 38578162.29 200601642.7 112979145.1 108538394.8 80796165.16 92677860.57 109375844.6 250063378.3 131330066.3 91208969.14 72949723.43 109175122.3 163692214.9 104014354.3 144739145.1 90637449.14 74481420 100881408 208750793.1 222005376 100263222.9 101674756.1 85922750.97 92464229.74 123402411.2 135046017.8 143763675.4 126713014.9 90456539.43 274546304 247389037.7 348751725.7 352214710.9 225948562.3 190725010.3 268855296 258578980.6 238647186.3 170025636.6 215336210.3 228208146.3 149314642.3 99649389.71 85781494.86 128421065.1 88447597.71 128684992 150335762.3 84119149.71 87416731.43 121831542.9 121204992 71257014.86 127251849.1 104844745.1 179611696.6 154728320 175363562.4 112318304 128804132.6 112648100.6 98563062.86 122670848 120543936 182794130.3 167167433.1 143434477.7 190037174.9 155820964.6 116242230.9 139843995.4 160306230.9 155549403.4 211613476.6 147433618.3 189334582.9 143590436.6 215375945.1 109911186.3 142773412.6 95915913.14 172237970.3 119739858.3 96232384 120025243.4 160232338.3 165817874.3 127454381.7 130465892.6 152177967.1 140100329.4 169805184 100961545.1 131067382.9 106710244.6 132525220.6 171479241.1 69113897.14 94026550.86 82915995.43 135076973.7 138064064 154401133.7 168280064 93224384 233669851.4 158083291.4 123388536.5 86503296 205069202.3 234913590.9 209261184 143171492.6 169533586.3 174602368 194054948.6 273086518.9 186907026.3 220422710.9 172750829.7 176185234.3 197023064.6 253857376
Guanosine 860501.7143 688294.2857 1120797.143 455112 833054.386 535057.4194 244700.9677 378612.8571 896495 282793.7143 285655.1613 377230.9677 1005853.429 356208 638467.7143 768689.1429 646247.1429 650194.8571 771087.1429 1332260 986782.2857 763941.4286 443449.1429 820689.375 463296.5714 877570.8571 900324.5714 449462.2857 307540 429131.9355 137851.7949 336882.7907 374973.6111 431596.8571 494461.1429 464309.1429 565872.8571 552002.5714 1084353.429 840491.4286 1047322.571 1155666 702658.5714 787322.8571 855636 437267.1429 957134 801593.1429 378174 400518.8571 516478.5714 521684.2857 458131.7143 1107584 689142.2857 439919.7143 532210.2857 469069.1429 988665.4286 472621.7143 744733.4286 1006708.857 769885.5172 673807.4194 376860.9639 887592 834422.8571 654078.8571 405906.5714 535546 666912 553441.1429 2121650.857 1156694 928795.7143 591226 771949.1429 493695.4286 484014.5714 829164.5714 614150.8571 532606.8571 629603.7143 861844 876365.4286 895798.8571 683578.2857 507303.4286 510611.4286 1014358.857 652623.4286 647366.8571 492123.4286 604800.5714 801248.5714 560371.4286 618801.4706 514745.5882 704313.7143 677268.2857 466903.1429 545876.5714 563530.5714 1483685.429 413544.8571 554325.7143 498536.2857 494280.8571 698984 609093.7143 709238.5714 573248 869936 834857.7143 928313.2353 461525.1429 494001.1429 987862.2857 430082 448778 510782.5714 511725.4286 526175.1429 414686.8571 607720 795913.1429 662274.8571 972208.2143 693581.5385 1175900
Homarine 77644.64286 185711597.7 178218422.9 70792105.14 76316985.26 135887267.1 16805418.06 39472978.29 81615029.33 60930162.29 104785930.3 64879360 208273536 121668333.7 118874486.9 219187309.7 126895542.9 72174066.29 196768859.4 224403766.9 63901545.14 141432274.3 86130825.14 219540660 88298267.43 97261238.86 79670811.43 75832059.43 64685558.71 80255019.35 43879573.33 110737934.9 86340764.44 141494409.1 116530505.1 95335021.71 118152429.7 134200109.7 155034313.1 173313536 76381568 75165910.86 77644.64286 101235766.9 106706651.4 51211346.29 73363995.43 70304740.57 119610148.6 830283190.9 94405760 106893540.6 101057728 76180219.43 292839826.3 73342596.57 185264329.1 40392950.86 77889764.57 35724052.57 419426304 82823762.29 115950532.4 447047432.3 133750114.7 182795392 76438121.14 102545856 47640178.29 87039149.71 77284946.29 134929654.9 99321554.29 78821056 133951094.9 111948178.3 53909499.43 85612699.43 106801325.7 142246582.9 115858797.7 72737142.86 116532845.7 151953344 145951478.9 159904201.1 162982400 139214317.7 91997019.43 61408036.57 157374884.6 103446180.6 134131958.9 87178569.14 305988370.3 177056128 344688301.2 141414644.7 95806363.43 51776781.71 304540909.7 93015003.43 80409005.71 229382491.4 68111693.71 93334116.57 154753408 335291721.1 339381357.7 114183780.6 229170304 84945636.57 204505892.6 159885257.1 178812084.7 139501778.3 105891593.1 278968941.7 116168329.1 82119780.57 70542157.71 91598098.29 134687158.9 121470985.1 199337033.1 124456603.4 173128923.4 118410480 128976726.2 196306544
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name CHEBI KEGGNAME quantitated m/z KEGG ID
DMSP CHEBI:16457 S,S-Dimethyl-beta-propiothetin; S-Dimethylsulfonium propionic acid; Dimethylpropiothetin; DMPT; DMSP 135.047977 C04022
Betaine CHEBI:17750 Betaine; Trimethylaminoacetate; Glycine betaine; N,N,N-Trimethylglycine; Trimethylammonioacetate 118.086804 C00719
Homarine CHEBI:69061 NA 138.055503 NA
Cytidine CHEBI:17562 Cytidine 244.093347 C00475
Adenine CHEBI:16708 Adenine; 6-Aminopurine 136.06232 C00147
Guanosine CHEBI:16750 Guanosine 284.099495 C00387
Adenosine CHEBI:16335 Adenosine 268.10458 C00212
Cytosine CHEBI:16040 Cytosine 112.051087 C00380
Guanine CHEBI:16235 Guanine; 2-Amino-6-hydroxypurine 152.057235 C00242
METABOLITES_END
#END