#METABOLOMICS WORKBENCH aboysen_20200323_214645_mwtab.txt DATATRACK_ID:1950 STUDY_ID:ST001356 ANALYSIS_ID:AN002256 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 RP
CH:CHROMATOGRAPHY_TYPE Reversed phase
CH:INSTRUMENT_NAME Waters Acquity I-Class
CH:COLUMN_NAME Waters Acquity UPLC HSS Cyano (CN) (2.1 mm X 50 mm, 1.8 µm)
CH:FLOW_GRADIENT 5% B for 2 minutes, ramped to 100% B over 16 minutes, held at 100% B for 2
CH:FLOW_GRADIENT minutes, and equilibrated at 5% B for 5 minutes
CH:FLOW_RATE 0.4 mL/min
CH:COLUMN_TEMPERATURE 35 C
CH:METHODS_FILENAME Ingalls_Metabolomics_LC_Parameters_2015.txt
CH:SOLVENT_A 0.1% formic acid in water
CH:SOLVENT_B 0.1% formic acid in acetonitrile
CH:ANALYTICAL_TIME 20 min
CH:PRECONDITIONING equilibrated at the starting conditions for at least 10 minutes; several water
CH:PRECONDITIONING blanks were run before
#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
Glutathione Disulfide 159736.2857 117768.2857 133884.5714 49438 28185.61404 34175.16129 36094.83871 31395.71429 34621.66667 17554.28571 35276.77419 16949.35484 81106.28571 19929.71429 57577.14286 111756.5714 50572.57143 68941.71429 73956.28571 20557.42857 40945.71429 84083.71429 52544 26454.375 20041.71429 22986 NA 51060.28571 33987.74194 31714.83871 104731.5385 120196.7442 114663.3333 85358.85714 49454.57143 53465.71429 47060.57143 24126 48525.14286 40925.14286 17828.57143 15502.28571 23704.57143 21030.85714 8875.428571 16120.85714 11272.28571 18902.85714 12043.14286 18754 16236 49652.57143 41870 39686.28571 48748.28571 11426.28571 28275.71429 24625.71429 36217.14286 24089.42857 40098.57143 32220 27685.86207 184868.7097 137134.9398 106039.6667 37357.14286 34410.28571 33944 47602.57143 31868.28571 46332.57143 57872.28571 38176.85714 38678.28571 39692.28571 42108.57143 32393.14286 41156 38012.57143 47506.57143 25433.42857 35016 21989.71429 33617.42857 12183.14286 25086.57143 10807.42857 20468.28571 13681.14286 16160.28571 22021.14286 10170.57143 18656.28571 13654.85714 48499.42857 83081.47059 111233.8235 14034.28571 10633.42857 10954.28571 9014 13869.71429 22758.57143 5858.571429 1808.571429 16402.28571 93935.71429 24547.42857 13435.14286 18278.85714 3566.285714 151334 152306.8571 108758.2353 74605.14286 146110.2857 153276.2857 126842.5714 98335.42857 213260.2857 60632.57143 101271.1429 110336 131864.5714 117458.2857 96474.85714 148677.1429 125307.6923 167705.5
Methylthioadenosine 841965.1429 701916 675117.1429 710500 135968.4211 98806.12903 259941.2903 302766 109151.6667 310234.8571 420282.5806 306188.0645 523651.7143 322641.7143 102691.4286 762510.8571 671232.5714 490580.8571 652871.4286 131750.8571 549719.7143 668755.4286 464137.1429 533633.75 326661.4286 93951.71429 NA 329796.8571 286248.3871 376146.7742 151268.4615 385797.6744 273031.1111 192874.5714 642117.4286 348809.1429 206126 155401.4286 245483.1429 200954.2857 114152.5714 136626.2857 175890.2857 121404.8571 116499.4286 94582.28571 164237.1429 130030 80409.42857 143697.1429 104942.8571 185773.1429 180512.5714 193828.5714 128630 107861.7143 258885.7143 80369.42857 114813.4286 71699.14286 152840.2857 104040.5714 175826.2069 608814.1935 292217.1084 521576.3333 135473.4286 86756.28571 92665.14286 120622.2857 118685.1429 147768.5714 187998.5714 107051.1429 237334.2857 125412.8571 187893.4286 114658 105859.7143 133739.7143 127552.8571 95262.85714 147620.5714 187139.4286 143305.7143 237066 196920 135758 123017.7143 96574.57143 170283.1429 145838.2857 147511.1429 113389.1429 164211.4286 380196.5714 723091.1765 644119.7059 74339.71429 100520 121486.5714 117066.8571 126270 155418.8571 106218.5714 138584 104756.5714 173932.2857 155920.2857 87142.28571 113884 92604.57143 838440.5714 869468.8571 723255.8824 659357.4286 574368 859724 530471.7143 370356.2857 435362.5714 302878.2857 402258.2857 371196.5714 851354 466013.1429 361376 798317.1429 866648.8462 1322889.5
Phenylalanine 9635463.674 5453339.11 5609017.271 10010719.85 13513636.44 9857354.896 4547750.162 6423742.272 10616391.12 5949531.947 14213805.18 9015803.709 7942142.122 7807803.231 10776055.4 9229876.264 6217180.079 4954399.538 8845806.047 14768018.43 10432525 9757222.905 6461346.871 5590677.313 6219463.404 9572537.665 10561385.55 5009852.088 5880030.114 6495140.724 6593200.818 4130373.957 3247865.044 5584681.779 14142198.76 5203727.911 13073474.41 12624807.13 17165343.29 31785580.56 10563027.87 12083690.02 14948250.14 16611970.19 24728503.46 11783644.87 13870517.05 11805742.37 7095314.301 12827369.7 8981523.726 9049310.474 6601035.677 2772231.116 9890590.06 8509245.154 5068428.633 6403727.612 8210231.117 4223325.47 14355757.72 12035747.34 11095721.15 9571954.199 6650244.684 5251930.034 8013163.738 5448273.734 3841676.26 2892845.544 5956743.395 8428622.451 10469354.16 9249225.831 7951731.111 6895545.235 4731547.92 9157551.825 18219433.91 8615340.556 11460912.18 6774859.672 9533514.228 8750078.093 10268721.57 5992816.135 7074193.164 11799748.64 9327105.211 4246775.436 4945315.19 6126322.147 7581890.604 7298694.658 10600782.38 10844402.8 8116336.877 10617136.19 13373500.29 5720269.325 5541161.948 3260562.256 4435956.254 5217459.005 5515752.345 8241023.641 7531020.187 6206907.05 7237335.102 7224718.306 8013204.046 7284457.401 8267761.216 10676716.52 7682002.504 4989339.952 8500113.015 7449471.788 21023362.1 6996186.738 5389169.816 7012222.715 5367314.348 6007329.037 5428467.619 5657467.494 7586961.68 6633764.005 7006623.651 9139125.638
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name CHEBI KEGGNAME quantitated m/z KEGG ID
Phenylalanine CHEBI:17295 L-Phenylalanine; (S)-alpha-Amino-beta-phenylpropionic acid 166.086804 C00079
Glutathione Disulfide CHEBI:17858 Glutathione disulfide; GSSG; Oxiglutatione; Oxidized glutathione 613.159793 C00127
Methylthioadenosine CHEBI:17509 5'-Methylthioadenosine; Methylthioadenosine; S-Methyl-5'-thioadenosine; 5-Methylthioadenosine; 5'-Deoxy-5'-(methylthio)adenosine; Thiomethyladenosine; MTA 298.097387 C00170
METABOLITES_END
#END