#METABOLOMICS WORKBENCH nak01_20241205_191432 DATATRACK_ID:5431 STUDY_ID:ST003653 ANALYSIS_ID:AN006003 PROJECT_ID:PR002263 VERSION 1 CREATED_ON January 8, 2025, 9:25 pm #PROJECT PR:PROJECT_TITLE Marine community metabolomes in the eastern tropical North Pacific Oxygen PR:PROJECT_TITLE Deficient Zone PR:PROJECT_SUMMARY Oxygen deficient zones (ODZs) are subsurface marine systems that harbor distinct PR:PROJECT_SUMMARY microbial communities, including populations of the picocyanobacteria PR:PROJECT_SUMMARY Prochlorococcus that can form a secondary chlorophyll maxima (SCM), and PR:PROJECT_SUMMARY low-oxygen tolerant strains of the globally abundant heterotroph Pelagibacter PR:PROJECT_SUMMARY (SAR11). Yet, the small labile molecules (metabolites) responsible for PR:PROJECT_SUMMARY maintaining these ODZ communities are unknown. Here, we compared the metabolome PR:PROJECT_SUMMARY of an ODZ to that of an oxygenated site by quantifying 87 metabolites across PR:PROJECT_SUMMARY depth profiles in the eastern tropical North Pacific ODZ and the oxygenated PR:PROJECT_SUMMARY waters of the North Pacific Gyre. We further use transcriptomes to identify taxa PR:PROJECT_SUMMARY involved in production and subsequent transformation of glycine betaine (GBT), a PR:PROJECT_SUMMARY metabolite we suggest is involved in microbial interdependencies in this PR:PROJECT_SUMMARY community, and elsewhere in the ocean. PR:INSTITUTE University of Washington PR:LAST_NAME Kellogg PR:FIRST_NAME Natalie PR:ADDRESS 1502 NE Boat St, Seattle, WA, 98105, USA PR:EMAIL nak01@uw.edu PR:PHONE 6517958717 #STUDY ST:STUDY_TITLE Marine community metabolomes in the eastern tropical North Pacific Oxygen ST:STUDY_TITLE Deficient Zone ST:STUDY_SUMMARY Oxygen deficient zones (ODZs) are subsurface marine systems that harbor distinct ST:STUDY_SUMMARY microbial communities, including populations of the picocyanobacteria ST:STUDY_SUMMARY Prochlorococcus that can form a secondary chlorophyll maxima (SCM), and ST:STUDY_SUMMARY low-oxygen tolerant strains of the globally abundant heterotroph Pelagibacter ST:STUDY_SUMMARY (SAR11). Yet, the small labile molecules (metabolites) responsible for ST:STUDY_SUMMARY maintaining these ODZ communities are unknown. Here, we compared the metabolome ST:STUDY_SUMMARY of an ODZ to that of an oxygenated site by quantifying 87 metabolites across ST:STUDY_SUMMARY depth profiles in the eastern tropical North Pacific ODZ and the oxygenated ST:STUDY_SUMMARY waters of the North Pacific Gyre. We further use transcriptomes to identify taxa ST:STUDY_SUMMARY involved in production and subsequent transformation of glycine betaine (GBT), a ST:STUDY_SUMMARY metabolite we suggest is involved in microbial interdependencies in this ST:STUDY_SUMMARY community, and elsewhere in the ocean. ST:INSTITUTE University of Washington, School of Oceanography ST:LAST_NAME Kellogg ST:FIRST_NAME Natalie ST:ADDRESS 1503 NE Boat Street, Seattle, WA, 98195, USA ST:EMAIL nak01@uw.edu ST:PHONE 6517958717 #SUBJECT SU:SUBJECT_TYPE Other organism SU:SUBJECT_SPECIES Marine microbes #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 - DOS-1070m_1 Latitude:32.00046 | Longitude:-157.599966 | Sample source:Marine particulate organic matter | Depth (m):1070 Cruise=MGL1704; Cast=90; Feature=Deep Oxic; Volume=10; Salinity (PSU)=34.374; Temperature (degC)=3.486; Oxygen (umol/kg)=11.50; Chlorophyll a (ug/L)=0.00; RAW_FILE_NAME(Raw_File_Names)=190122_SmpDOS-1070m_1.mzXML,190130_SmpDOS-1070m_1.mzXML SUBJECT_SAMPLE_FACTORS - DOS-1070m_2 Latitude:32.00046 | Longitude:-157.599966 | Sample source:Marine particulate organic matter | Depth (m):1070 Cruise=MGL1704; Cast=90; Feature=Deep Oxic; Volume=10; Salinity (PSU)=34.374; Temperature (degC)=3.486; Oxygen (umol/kg)=11.50; Chlorophyll a (ug/L)=0.00; RAW_FILE_NAME(Raw_File_Names)=190122_SmpDOS-1070m_2.mzXML,190130_SmpDOS-1070m_2.mzXML SUBJECT_SAMPLE_FACTORS - DOS-1070m_3 Latitude:32.00046 | Longitude:-157.599966 | Sample source:Marine particulate organic matter | Depth (m):1070 Cruise=MGL1704; Cast=90; Feature=Deep Oxic; Volume=10; Salinity (PSU)=34.374; Temperature (degC)=3.486; Oxygen (umol/kg)=11.50; Chlorophyll a (ug/L)=0.00; RAW_FILE_NAME(Raw_File_Names)=190122_SmpDOS-1070m_3.mzXML,190130_SmpDOS-1070m_3.mzXML SUBJECT_SAMPLE_FACTORS - DOS-120m_1 Latitude:32.00046 | Longitude:-157.599966 | Sample source:Marine particulate organic matter | Depth (m):120 Cruise=MGL1704; Cast=90; Feature=Mid Oxic; Volume=10; Salinity (PSU)=34.55; Temperature (degC)=15.13; Oxygen (umol/kg)=230.43; Chlorophyll a (ug/L)=0.46; RAW_FILE_NAME(Raw_File_Names)=190122_SmpDOS-120m_1.mzXML,190130_SmpDOS-120m_1.mzXML SUBJECT_SAMPLE_FACTORS - DOS-120m_2 Latitude:32.00046 | Longitude:-157.599966 | Sample source:Marine particulate organic matter | Depth (m):120 Cruise=MGL1704; Cast=90; Feature=Mid Oxic; Volume=10; Salinity (PSU)=34.55; Temperature (degC)=15.13; Oxygen (umol/kg)=230.43; Chlorophyll a (ug/L)=0.46; RAW_FILE_NAME(Raw_File_Names)=190122_SmpDOS-120m_2.mzXML,190130_SmpDOS-120m_2.mzXML SUBJECT_SAMPLE_FACTORS - DOS-120m_3 Latitude:32.00046 | Longitude:-157.599966 | Sample source:Marine particulate organic matter | Depth (m):120 Cruise=MGL1704; Cast=90; Feature=Mid Oxic; Volume=10; Salinity (PSU)=34.55; Temperature (degC)=15.13; Oxygen (umol/kg)=230.43; Chlorophyll a (ug/L)=0.46; RAW_FILE_NAME(Raw_File_Names)=190122_SmpDOS-120m_3.mzXML,190130_SmpDOS-120m_3.mzXML SUBJECT_SAMPLE_FACTORS - DOS-15m_1 Latitude:32.00046 | Longitude:-157.599966 | Sample source:Marine particulate organic matter | Depth (m):15 Cruise=MGL1704; Cast=90; Feature=Surface; Volume=10; Salinity (PSU)=34.958; Temperature (degC)=21.157; Oxygen (umol/kg)=233.69; Chlorophyll a (ug/L)=0.08; RAW_FILE_NAME(Raw_File_Names)=190122_SmpDOS-15m_1.mzXML,190130_SmpDOS-15m_1.mzXML SUBJECT_SAMPLE_FACTORS - DOS-15m_2 Latitude:32.00046 | Longitude:-157.599966 | Sample source:Marine particulate organic matter | Depth (m):15 Cruise=MGL1704; Cast=90; Feature=Surface; Volume=10; Salinity (PSU)=34.958; Temperature (degC)=21.157; Oxygen (umol/kg)=233.69; Chlorophyll a (ug/L)=0.08; RAW_FILE_NAME(Raw_File_Names)=190122_SmpDOS-15m_2.mzXML,190130_SmpDOS-15m_2.mzXML SUBJECT_SAMPLE_FACTORS - DOS-15m_3 Latitude:32.00046 | Longitude:-157.599966 | Sample source:Marine particulate organic matter | Depth (m):15 Cruise=MGL1704; Cast=90; Feature=Surface; Volume=10; Salinity (PSU)=34.958; Temperature (degC)=21.157; Oxygen (umol/kg)=233.69; Chlorophyll a (ug/L)=0.08; RAW_FILE_NAME(Raw_File_Names)=190122_SmpDOS-15m_3.mzXML,190130_SmpDOS-15m_3.mzXML SUBJECT_SAMPLE_FACTORS - DOS-3000m_1 Latitude:32.00046 | Longitude:-157.599966 | Sample source:Marine particulate organic matter | Depth (m):3000 Cruise=MGL1704; Cast=90; Feature=Deep Oxic; Volume=10; Salinity (PSU)=34.209; Temperature (degC)=11.227; Oxygen (umol/kg)=232.19; Chlorophyll a (ug/L)=0.00; RAW_FILE_NAME(Raw_File_Names)=190122_SmpDOS-3000m_1.mzXML,190130_SmpDOS-3000m_1.mzXML SUBJECT_SAMPLE_FACTORS - DOS-3000m_2 Latitude:32.00046 | Longitude:-157.599966 | Sample source:Marine particulate organic matter | Depth (m):3000 Cruise=MGL1704; Cast=90; Feature=Deep Oxic; Volume=10; Salinity (PSU)=34.209; Temperature (degC)=11.227; Oxygen (umol/kg)=232.19; Chlorophyll a (ug/L)=0.00; RAW_FILE_NAME(Raw_File_Names)=190122_SmpDOS-3000m_2.mzXML,190130_SmpDOS-3000m_2.mzXML SUBJECT_SAMPLE_FACTORS - DOS-3000m_3 Latitude:32.00046 | Longitude:-157.599966 | Sample source:Marine particulate organic matter | Depth (m):3000 Cruise=MGL1704; Cast=90; Feature=Deep Oxic; Volume=10; Salinity (PSU)=34.209; Temperature (degC)=11.227; Oxygen (umol/kg)=232.19; Chlorophyll a (ug/L)=0.00; RAW_FILE_NAME(Raw_File_Names)=190122_SmpDOS-3000m_3.mzXML,190130_SmpDOS-3000m_3.mzXML SUBJECT_SAMPLE_FACTORS - DOS-300m_1 Latitude:32.00046 | Longitude:-157.599966 | Sample source:Marine particulate organic matter | Depth (m):300 Cruise=MGL1704; Cast=90; Feature=Mid Oxic; Volume=10; Salinity (PSU)=34.67; Temperature (degC)=1.567; Oxygen (umol/kg)=119.18; Chlorophyll a (ug/L)=0.00; RAW_FILE_NAME(Raw_File_Names)=190122_SmpDOS-300m_1.mzXML,190130_SmpDOS-300m_1.mzXML SUBJECT_SAMPLE_FACTORS - DOS-300m_2 Latitude:32.00046 | Longitude:-157.599966 | Sample source:Marine particulate organic matter | Depth (m):300 Cruise=MGL1704; Cast=90; Feature=Mid Oxic; Volume=10; Salinity (PSU)=34.67; Temperature (degC)=1.567; Oxygen (umol/kg)=119.18; Chlorophyll a (ug/L)=0.00; RAW_FILE_NAME(Raw_File_Names)=190122_SmpDOS-300m_2.mzXML,190130_SmpDOS-300m_2.mzXML SUBJECT_SAMPLE_FACTORS - DOS-300m_3 Latitude:32.00046 | Longitude:-157.599966 | Sample source:Marine particulate organic matter | Depth (m):300 Cruise=MGL1704; Cast=90; Feature=Mid Oxic; Volume=10; Salinity (PSU)=34.67; Temperature (degC)=1.567; Oxygen (umol/kg)=119.18; Chlorophyll a (ug/L)=0.00; RAW_FILE_NAME(Raw_File_Names)=190122_SmpDOS-300m_3.mzXML,190130_SmpDOS-300m_3.mzXML SUBJECT_SAMPLE_FACTORS - DOS-45m_1 Latitude:32.00046 | Longitude:-157.599966 | Sample source:Marine particulate organic matter | Depth (m):45 Cruise=MGL1704; Cast=90; Feature=Surface; Volume=10; Salinity (PSU)=34.856; Temperature (degC)=18.851; Oxygen (umol/kg)=250.14; Chlorophyll a (ug/L)=0.14; RAW_FILE_NAME(Raw_File_Names)=190122_SmpDOS-45m_1.mzXML,190130_SmpDOS-45m_1.mzXML SUBJECT_SAMPLE_FACTORS - DOS-45m_2 Latitude:32.00046 | Longitude:-157.599966 | Sample source:Marine particulate organic matter | Depth (m):45 Cruise=MGL1704; Cast=90; Feature=Surface; Volume=10; Salinity (PSU)=34.856; Temperature (degC)=18.851; Oxygen (umol/kg)=250.14; Chlorophyll a (ug/L)=0.14; RAW_FILE_NAME(Raw_File_Names)=190122_SmpDOS-45m_2.mzXML,190130_SmpDOS-45m_2.mzXML SUBJECT_SAMPLE_FACTORS - DOS-45m_3 Latitude:32.00046 | Longitude:-157.599966 | Sample source:Marine particulate organic matter | Depth (m):45 Cruise=MGL1704; Cast=90; Feature=Surface; Volume=10; Salinity (PSU)=34.856; Temperature (degC)=18.851; Oxygen (umol/kg)=250.14; Chlorophyll a (ug/L)=0.14; RAW_FILE_NAME(Raw_File_Names)=190122_SmpDOS-45m_3.mzXML,190130_SmpDOS-45m_3.mzXML SUBJECT_SAMPLE_FACTORS - DOS-590m_1 Latitude:32.00046 | Longitude:-157.599966 | Sample source:Marine particulate organic matter | Depth (m):590 Cruise=MGL1704; Cast=90; Feature=Mid Oxic; Volume=10; Salinity (PSU)=33.996; Temperature (degC)=5.955; Oxygen (umol/kg)=122.22; Chlorophyll a (ug/L)=0.00; RAW_FILE_NAME(Raw_File_Names)=190122_SmpDOS-590m_1.mzXML,190130_SmpDOS-590m_1.mzXML SUBJECT_SAMPLE_FACTORS - DOS-590m_2 Latitude:32.00046 | Longitude:-157.599966 | Sample source:Marine particulate organic matter | Depth (m):590 Cruise=MGL1704; Cast=90; Feature=Mid Oxic; Volume=10; Salinity (PSU)=33.996; Temperature (degC)=5.955; Oxygen (umol/kg)=122.22; Chlorophyll a (ug/L)=0.00; RAW_FILE_NAME(Raw_File_Names)=190122_SmpDOS-590m_2.mzXML,190130_SmpDOS-590m_2.mzXML SUBJECT_SAMPLE_FACTORS - DOS-590m_3 Latitude:32.00046 | Longitude:-157.599966 | Sample source:Marine particulate organic matter | Depth (m):590 Cruise=MGL1704; Cast=90; Feature=Mid Oxic; Volume=10; Salinity (PSU)=33.996; Temperature (degC)=5.955; Oxygen (umol/kg)=122.22; Chlorophyll a (ug/L)=0.00; RAW_FILE_NAME(Raw_File_Names)=190122_SmpDOS-590m_3.mzXML,190130_SmpDOS-590m_3.mzXML SUBJECT_SAMPLE_FACTORS - DOS-90m_1 Latitude:32.00046 | Longitude:-157.599966 | Sample source:Marine particulate organic matter | Depth (m):90 Cruise=MGL1704; Cast=90; Feature=DCM; Volume=10; Salinity (PSU)=34.678; Temperature (degC)=16.161; Oxygen (umol/kg)=246.73; Chlorophyll a (ug/L)=1.16; RAW_FILE_NAME(Raw_File_Names)=190122_SmpDOS-90m_1.mzXML,190130_SmpDOS-90m_1.mzXML SUBJECT_SAMPLE_FACTORS - DOS-90m_2 Latitude:32.00046 | Longitude:-157.599966 | Sample source:Marine particulate organic matter | Depth (m):90 Cruise=MGL1704; Cast=90; Feature=DCM; Volume=10; Salinity (PSU)=34.678; Temperature (degC)=16.161; Oxygen (umol/kg)=246.73; Chlorophyll a (ug/L)=1.16; RAW_FILE_NAME(Raw_File_Names)=190122_SmpDOS-90m_2.mzXML,190130_SmpDOS-90m_2.mzXML SUBJECT_SAMPLE_FACTORS - DOS-90m_3 Latitude:32.00046 | Longitude:-157.599966 | Sample source:Marine particulate organic matter | Depth (m):90 Cruise=MGL1704; Cast=90; Feature=DCM; Volume=10; Salinity (PSU)=34.678; Temperature (degC)=16.161; Oxygen (umol/kg)=246.73; Chlorophyll a (ug/L)=1.16; RAW_FILE_NAME(Raw_File_Names)=190122_SmpDOS-90m_3.mzXML,190130_SmpDOS-90m_3.mzXML SUBJECT_SAMPLE_FACTORS - MP1C62D10_1 Latitude:20.1236 | Longitude:-106.0308 | Sample source:Marine particulate organic matter | Depth (m):10 Cruise=RR1805_StP1; Cast=62; Feature=Surface; Volume=10; Salinity (PSU)=34.5591; Temperature (degC)=23.4508; Oxygen (umol/kg)=198.08; Chlorophyll a (ug/L)=2.06; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP1C62D10_1.mzXML,190130_SmpMP1C62D10_1.mzXML SUBJECT_SAMPLE_FACTORS - MP1C62D10_2 Latitude:20.1236 | Longitude:-106.0308 | Sample source:Marine particulate organic matter | Depth (m):10 Cruise=RR1805_StP1; Cast=62; Feature=Surface; Volume=10; Salinity (PSU)=34.5591; Temperature (degC)=23.4508; Oxygen (umol/kg)=198.08; Chlorophyll a (ug/L)=2.06; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP1C62D10_2.mzXML,190130_SmpMP1C62D10_2.mzXML SUBJECT_SAMPLE_FACTORS - MP1C62D10_3 Latitude:20.1236 | Longitude:-106.0308 | Sample source:Marine particulate organic matter | Depth (m):10 Cruise=RR1805_StP1; Cast=62; Feature=Surface; Volume=10; Salinity (PSU)=34.5591; Temperature (degC)=23.4508; Oxygen (umol/kg)=198.08; Chlorophyll a (ug/L)=2.06; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP1C62D10_3.mzXML,190130_SmpMP1C62D10_3.mzXML SUBJECT_SAMPLE_FACTORS - MP1C62D25_1 Latitude:20.1236 | Longitude:-106.0308 | Sample source:Marine particulate organic matter | Depth (m):25 Cruise=RR1805_StP1; Cast=62; Feature=DCM; Volume=10; Salinity (PSU)=34.5459; Temperature (degC)=21.9167; Oxygen (umol/kg)=134.88; Chlorophyll a (ug/L)=2.36; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP1C62D25_1.mzXML,190130_SmpMP1C62D25_1.mzXML SUBJECT_SAMPLE_FACTORS - MP1C62D25_2 Latitude:20.1236 | Longitude:-106.0308 | Sample source:Marine particulate organic matter | Depth (m):25 Cruise=RR1805_StP1; Cast=62; Feature=DCM; Volume=10; Salinity (PSU)=34.5459; Temperature (degC)=21.9167; Oxygen (umol/kg)=134.88; Chlorophyll a (ug/L)=2.36; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP1C62D25_2.mzXML,190130_SmpMP1C62D25_2.mzXML SUBJECT_SAMPLE_FACTORS - MP1C62D25_3 Latitude:20.1236 | Longitude:-106.0308 | Sample source:Marine particulate organic matter | Depth (m):25 Cruise=RR1805_StP1; Cast=62; Feature=DCM; Volume=10; Salinity (PSU)=34.5459; Temperature (degC)=21.9167; Oxygen (umol/kg)=134.88; Chlorophyll a (ug/L)=2.36; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP1C62D25_3.mzXML,190130_SmpMP1C62D25_3.mzXML SUBJECT_SAMPLE_FACTORS - MP1C62D40_1 Latitude:20.1236 | Longitude:-106.0308 | Sample source:Marine particulate organic matter | Depth (m):40 Cruise=RR1805_StP1; Cast=62; Feature=Oxycline; Volume=10; Salinity (PSU)=34.4864; Temperature (degC)=16.6904; Oxygen (umol/kg)=32.41; Chlorophyll a (ug/L)=0.40; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP1C62D40_1.mzXML,190130_SmpMP1C62D40_1.mzXML SUBJECT_SAMPLE_FACTORS - MP1C62D40_2 Latitude:20.1236 | Longitude:-106.0308 | Sample source:Marine particulate organic matter | Depth (m):40 Cruise=RR1805_StP1; Cast=62; Feature=Oxycline; Volume=10; Salinity (PSU)=34.4864; Temperature (degC)=16.6904; Oxygen (umol/kg)=32.41; Chlorophyll a (ug/L)=0.40; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP1C62D40_2.mzXML,190130_SmpMP1C62D40_2.mzXML SUBJECT_SAMPLE_FACTORS - MP1C62D40_3 Latitude:20.1236 | Longitude:-106.0308 | Sample source:Marine particulate organic matter | Depth (m):40 Cruise=RR1805_StP1; Cast=62; Feature=Oxycline; Volume=10; Salinity (PSU)=34.4864; Temperature (degC)=16.6904; Oxygen (umol/kg)=32.41; Chlorophyll a (ug/L)=0.40; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP1C62D40_3.mzXML,190130_SmpMP1C62D40_3.mzXML SUBJECT_SAMPLE_FACTORS - MP1C62D75_1 Latitude:20.1236 | Longitude:-106.0308 | Sample source:Marine particulate organic matter | Depth (m):75 Cruise=RR1805_StP1; Cast=62; Feature=SCM; Volume=10; Salinity (PSU)=34.7934; Temperature (degC)=14.4615; Oxygen (umol/kg)=0.69; Chlorophyll a (ug/L)=1.08; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP1C62D75_1.mzXML,190130_SmpMP1C62D75_1.mzXML SUBJECT_SAMPLE_FACTORS - MP1C62D75_2 Latitude:20.1236 | Longitude:-106.0308 | Sample source:Marine particulate organic matter | Depth (m):75 Cruise=RR1805_StP1; Cast=62; Feature=SCM; Volume=10; Salinity (PSU)=34.7934; Temperature (degC)=14.4615; Oxygen (umol/kg)=0.69; Chlorophyll a (ug/L)=1.08; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP1C62D75_2.mzXML,190130_SmpMP1C62D75_2.mzXML SUBJECT_SAMPLE_FACTORS - MP1C62D75_3 Latitude:20.1236 | Longitude:-106.0308 | Sample source:Marine particulate organic matter | Depth (m):75 Cruise=RR1805_StP1; Cast=62; Feature=SCM; Volume=10; Salinity (PSU)=34.7934; Temperature (degC)=14.4615; Oxygen (umol/kg)=0.69; Chlorophyll a (ug/L)=1.08; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP1C62D75_3.mzXML,190130_SmpMP1C62D75_3.mzXML SUBJECT_SAMPLE_FACTORS - MP1C62D150_1 Latitude:20.1236 | Longitude:-106.0308 | Sample source:Marine particulate organic matter | Depth (m):150 Cruise=RR1805_StP1; Cast=62; Feature=Mid Anoxic; Volume=10; Salinity (PSU)=34.8118; Temperature (degC)=12.6677; Oxygen (umol/kg)=0.75; Chlorophyll a (ug/L)=0.08; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP1C62D150_1.mzXML,190130_SmpMP1C62D150_1.mzXML SUBJECT_SAMPLE_FACTORS - MP1C62D150_2 Latitude:20.1236 | Longitude:-106.0308 | Sample source:Marine particulate organic matter | Depth (m):150 Cruise=RR1805_StP1; Cast=62; Feature=Mid Anoxic; Volume=10; Salinity (PSU)=34.8118; Temperature (degC)=12.6677; Oxygen (umol/kg)=0.75; Chlorophyll a (ug/L)=0.08; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP1C62D150_2.mzXML,190130_SmpMP1C62D150_2.mzXML SUBJECT_SAMPLE_FACTORS - MP1C62D150_3 Latitude:20.1236 | Longitude:-106.0308 | Sample source:Marine particulate organic matter | Depth (m):150 Cruise=RR1805_StP1; Cast=62; Feature=Mid Anoxic; Volume=10; Salinity (PSU)=34.8118; Temperature (degC)=12.6677; Oxygen (umol/kg)=0.75; Chlorophyll a (ug/L)=0.08; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP1C62D150_3.mzXML,190130_SmpMP1C62D150_3.mzXML SUBJECT_SAMPLE_FACTORS - MP1C62D500_1 Latitude:20.1236 | Longitude:-106.0308 | Sample source:Marine particulate organic matter | Depth (m):500 Cruise=RR1805_StP1; Cast=62; Feature=Mid Anoxic; Volume=10; Salinity (PSU)=34.5871; Temperature (degC)=8.3859; Oxygen (umol/kg)=0.98; Chlorophyll a (ug/L)=0.00; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP1C62D500_1.mzXML,190130_SmpMP1C62D500_1.mzXML SUBJECT_SAMPLE_FACTORS - MP1C62D500_2 Latitude:20.1236 | Longitude:-106.0308 | Sample source:Marine particulate organic matter | Depth (m):500 Cruise=RR1805_StP1; Cast=62; Feature=Mid Anoxic; Volume=10; Salinity (PSU)=34.5871; Temperature (degC)=8.3859; Oxygen (umol/kg)=0.98; Chlorophyll a (ug/L)=0.00; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP1C62D500_2.mzXML,190130_SmpMP1C62D500_2.mzXML SUBJECT_SAMPLE_FACTORS - MP1C62D500_3 Latitude:20.1236 | Longitude:-106.0308 | Sample source:Marine particulate organic matter | Depth (m):500 Cruise=RR1805_StP1; Cast=62; Feature=Mid Anoxic; Volume=10; Salinity (PSU)=34.5871; Temperature (degC)=8.3859; Oxygen (umol/kg)=0.98; Chlorophyll a (ug/L)=0.00; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP1C62D500_3.mzXML,190130_SmpMP1C62D500_3.mzXML SUBJECT_SAMPLE_FACTORS - MP1C62D1000_1 Latitude:20.1236 | Longitude:-106.0308 | Sample source:Marine particulate organic matter | Depth (m):1000 Cruise=RR1805_StP1; Cast=62; Feature=Deep Oxic; Volume=10; Salinity (PSU)=34.5376; Temperature (degC)=4.6021; Oxygen (umol/kg)=6.55; Chlorophyll a (ug/L)=0.00; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP1C62D1000_1.mzXML,190130_SmpMP1C62D1000_1.mzXML SUBJECT_SAMPLE_FACTORS - MP1C62D1000_2 Latitude:20.1236 | Longitude:-106.0308 | Sample source:Marine particulate organic matter | Depth (m):1000 Cruise=RR1805_StP1; Cast=62; Feature=Deep Oxic; Volume=10; Salinity (PSU)=34.5376; Temperature (degC)=4.6021; Oxygen (umol/kg)=6.55; Chlorophyll a (ug/L)=0.00; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP1C62D1000_2.mzXML,190130_SmpMP1C62D1000_2.mzXML SUBJECT_SAMPLE_FACTORS - MP1C62D1000_3 Latitude:20.1236 | Longitude:-106.0308 | Sample source:Marine particulate organic matter | Depth (m):1000 Cruise=RR1805_StP1; Cast=62; Feature=Deep Oxic; Volume=10; Salinity (PSU)=34.5376; Temperature (degC)=4.6021; Oxygen (umol/kg)=6.55; Chlorophyll a (ug/L)=0.00; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP1C62D1000_3.mzXML,190130_SmpMP1C62D1000_3.mzXML SUBJECT_SAMPLE_FACTORS - MP1C62D1500_1 Latitude:20.1236 | Longitude:-106.0308 | Sample source:Marine particulate organic matter | Depth (m):1500 Cruise=RR1805_StP1; Cast=62; Feature=Deep Oxic; Volume=10; Salinity (PSU)=34.5962; Temperature (degC)=3.0854; Oxygen (umol/kg)=42.88; Chlorophyll a (ug/L)=0.00; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP1C62D1500_1.mzXML,190130_SmpMP1C62D1500_1.mzXML SUBJECT_SAMPLE_FACTORS - MP1C62D1500_2 Latitude:20.1236 | Longitude:-106.0308 | Sample source:Marine particulate organic matter | Depth (m):1500 Cruise=RR1805_StP1; Cast=62; Feature=Deep Oxic; Volume=10; Salinity (PSU)=34.5962; Temperature (degC)=3.0854; Oxygen (umol/kg)=42.88; Chlorophyll a (ug/L)=0.00; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP1C62D1500_2.mzXML,190130_SmpMP1C62D1500_2.mzXML SUBJECT_SAMPLE_FACTORS - MP1C62D1500_3 Latitude:20.1236 | Longitude:-106.0308 | Sample source:Marine particulate organic matter | Depth (m):1500 Cruise=RR1805_StP1; Cast=62; Feature=Deep Oxic; Volume=10; Salinity (PSU)=34.5962; Temperature (degC)=3.0854; Oxygen (umol/kg)=42.88; Chlorophyll a (ug/L)=0.00; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP1C62D1500_3.mzXML,190130_SmpMP1C62D1500_3.mzXML SUBJECT_SAMPLE_FACTORS - MP2C44D0_A Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):10 Cruise=RR1805_StP2; Cast=44; Feature=Surface; Volume=10; Salinity (PSU)=34.2919; Temperature (degC)=26.7446; Oxygen (umol/kg)=202.62; Chlorophyll a (ug/L)=0.10; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP2C44D0_A.mzXML,190130_SmpMP2C44D0_A.mzXML SUBJECT_SAMPLE_FACTORS - MP2C44D0_B Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):10 Cruise=RR1805_StP2; Cast=44; Feature=Surface; Volume=10; Salinity (PSU)=34.2919; Temperature (degC)=26.7446; Oxygen (umol/kg)=202.62; Chlorophyll a (ug/L)=0.10; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP2C44D0_B.mzXML,190130_SmpMP2C44D0_B.mzXML SUBJECT_SAMPLE_FACTORS - MP2C44D0_C Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):10 Cruise=RR1805_StP2; Cast=44; Feature=Surface; Volume=10; Salinity (PSU)=34.2919; Temperature (degC)=26.7446; Oxygen (umol/kg)=202.62; Chlorophyll a (ug/L)=0.10; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP2C44D0_C.mzXML,190130_SmpMP2C44D0_C.mzXML SUBJECT_SAMPLE_FACTORS - MP2C44D50_A Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):50 Cruise=RR1805_StP2; Cast=44; Feature=DCM; Volume=10; Salinity (PSU)=34.2686; Temperature (degC)=21.6301; Oxygen (umol/kg)=166.26; Chlorophyll a (ug/L)=1.55; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP2C44D50_A.mzXML,190130_SmpMP2C44D50_A.mzXML SUBJECT_SAMPLE_FACTORS - MP2C44D50_B Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):50 Cruise=RR1805_StP2; Cast=44; Feature=DCM; Volume=10; Salinity (PSU)=34.2686; Temperature (degC)=21.6301; Oxygen (umol/kg)=166.26; Chlorophyll a (ug/L)=1.55; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP2C44D50_B.mzXML,190130_SmpMP2C44D50_B.mzXML SUBJECT_SAMPLE_FACTORS - MP2C44D50_C Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):50 Cruise=RR1805_StP2; Cast=44; Feature=DCM; Volume=10; Salinity (PSU)=34.2686; Temperature (degC)=21.6301; Oxygen (umol/kg)=166.26; Chlorophyll a (ug/L)=1.55; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP2C44D50_C.mzXML,190130_SmpMP2C44D50_C.mzXML SUBJECT_SAMPLE_FACTORS - MP2C44D75_A Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):75 Cruise=RR1805_StP2; Cast=44; Feature=Oxycline; Volume=10; Salinity (PSU)=34.57; Temperature (degC)=17.1493; Oxygen (umol/kg)=16.67; Chlorophyll a (ug/L)=0.50; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP2C44D75_A.mzXML,190130_SmpMP2C44D75_A.mzXML SUBJECT_SAMPLE_FACTORS - MP2C44D75_B Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):75 Cruise=RR1805_StP2; Cast=44; Feature=Oxycline; Volume=10; Salinity (PSU)=34.57; Temperature (degC)=17.1493; Oxygen (umol/kg)=16.67; Chlorophyll a (ug/L)=0.50; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP2C44D75_B.mzXML,190130_SmpMP2C44D75_B.mzXML SUBJECT_SAMPLE_FACTORS - MP2C44D75_C Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):75 Cruise=RR1805_StP2; Cast=44; Feature=Oxycline; Volume=10; Salinity (PSU)=34.57; Temperature (degC)=17.1493; Oxygen (umol/kg)=16.67; Chlorophyll a (ug/L)=0.50; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP2C44D75_C.mzXML,190130_SmpMP2C44D75_C.mzXML SUBJECT_SAMPLE_FACTORS - MP2C49D105_A Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):105 Cruise=RR1805_StP2; Cast=49; Feature=SCM; Volume=10; Salinity (PSU)=34.7525; Temperature (degC)=14.2755; Oxygen (umol/kg)=0.71; Chlorophyll a (ug/L)=0.54; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP2C49D105_A.mzXML,190130_SmpMP2C49D105_A.mzXML SUBJECT_SAMPLE_FACTORS - MP2C49D105_B Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):105 Cruise=RR1805_StP2; Cast=49; Feature=SCM; Volume=10; Salinity (PSU)=34.7525; Temperature (degC)=14.2755; Oxygen (umol/kg)=0.71; Chlorophyll a (ug/L)=0.54; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP2C49D105_B.mzXML,190130_SmpMP2C49D105_B.mzXML SUBJECT_SAMPLE_FACTORS - MP2C49D105_C Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):105 Cruise=RR1805_StP2; Cast=49; Feature=SCM; Volume=10; Salinity (PSU)=34.7525; Temperature (degC)=14.2755; Oxygen (umol/kg)=0.71; Chlorophyll a (ug/L)=0.54; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP2C49D105_C.mzXML,190130_SmpMP2C49D105_C.mzXML SUBJECT_SAMPLE_FACTORS - MP2C44D110_A Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):110 Cruise=RR1805_StP2; Cast=44; Feature=SCM; Volume=10; Salinity (PSU)=34.7686; Temperature (degC)=14.1946; Oxygen (umol/kg)=0.66; Chlorophyll a (ug/L)=0.58; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP2C44D110_A.mzXML,190130_SmpMP2C44D110_A.mzXML SUBJECT_SAMPLE_FACTORS - MP2C44D110_B Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):110 Cruise=RR1805_StP2; Cast=44; Feature=SCM; Volume=10; Salinity (PSU)=34.7686; Temperature (degC)=14.1946; Oxygen (umol/kg)=0.66; Chlorophyll a (ug/L)=0.58; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP2C44D110_B.mzXML,190130_SmpMP2C44D110_B.mzXML SUBJECT_SAMPLE_FACTORS - MP2C44D110_C Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):110 Cruise=RR1805_StP2; Cast=44; Feature=SCM; Volume=10; Salinity (PSU)=34.7686; Temperature (degC)=14.1946; Oxygen (umol/kg)=0.66; Chlorophyll a (ug/L)=0.58; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP2C44D110_C.mzXML,190130_SmpMP2C44D110_C.mzXML SUBJECT_SAMPLE_FACTORS - MP2C50D110_A Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):110 Cruise=RR1805_StP2; Cast=50; Feature=SCM; Volume=10; Salinity (PSU)=34.7646; Temperature (degC)=14.2271; Oxygen (umol/kg)=0.64; Chlorophyll a (ug/L)=0.61; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP2C50D110_A.mzXML,190130_SmpMP2C50D110_A.mzXML SUBJECT_SAMPLE_FACTORS - MP2C50D110_B Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):110 Cruise=RR1805_StP2; Cast=50; Feature=SCM; Volume=10; Salinity (PSU)=34.7646; Temperature (degC)=14.2271; Oxygen (umol/kg)=0.64; Chlorophyll a (ug/L)=0.61; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP2C50D110_B.mzXML,190130_SmpMP2C50D110_B.mzXML SUBJECT_SAMPLE_FACTORS - MP2C50D110_C Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):110 Cruise=RR1805_StP2; Cast=50; Feature=SCM; Volume=10; Salinity (PSU)=34.7646; Temperature (degC)=14.2271; Oxygen (umol/kg)=0.64; Chlorophyll a (ug/L)=0.61; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP2C50D110_C.mzXML,190130_SmpMP2C50D110_C.mzXML SUBJECT_SAMPLE_FACTORS - MP2C44D150_A Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):150 Cruise=RR1805_StP2; Cast=44; Feature=Mid Anoxic; Volume=10; Salinity (PSU)=34.7938; Temperature (degC)=12.8383; Oxygen (umol/kg)=0.70; Chlorophyll a (ug/L)=0.10; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP2C44D150_A.mzXML,190130_SmpMP2C44D150_A.mzXML SUBJECT_SAMPLE_FACTORS - MP2C44D150_B Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):150 Cruise=RR1805_StP2; Cast=44; Feature=Mid Anoxic; Volume=10; Salinity (PSU)=34.7938; Temperature (degC)=12.8383; Oxygen (umol/kg)=0.70; Chlorophyll a (ug/L)=0.10; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP2C44D150_B.mzXML,190130_SmpMP2C44D150_B.mzXML SUBJECT_SAMPLE_FACTORS - MP2C44D150_C Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):150 Cruise=RR1805_StP2; Cast=44; Feature=Mid Anoxic; Volume=10; Salinity (PSU)=34.7938; Temperature (degC)=12.8383; Oxygen (umol/kg)=0.70; Chlorophyll a (ug/L)=0.10; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP2C44D150_C.mzXML,190130_SmpMP2C44D150_C.mzXML SUBJECT_SAMPLE_FACTORS - MP2C48D150_A Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):150 Cruise=RR1805_StP2; Cast=48; Feature=Mid Anoxic; Volume=10; Salinity (PSU)=34.7999; Temperature (degC)=13.0506; Oxygen (umol/kg)=0.47; Chlorophyll a (ug/L)=0.13; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP2C48D150_A.mzXML,190130_SmpMP2C48D150_A.mzXML SUBJECT_SAMPLE_FACTORS - MP2C48D150_B Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):150 Cruise=RR1805_StP2; Cast=48; Feature=Mid Anoxic; Volume=10; Salinity (PSU)=34.7999; Temperature (degC)=13.0506; Oxygen (umol/kg)=0.47; Chlorophyll a (ug/L)=0.13; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP2C48D150_B.mzXML,190130_SmpMP2C48D150_B.mzXML SUBJECT_SAMPLE_FACTORS - MP2C48D150_C Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):150 Cruise=RR1805_StP2; Cast=48; Feature=Mid Anoxic; Volume=10; Salinity (PSU)=34.7999; Temperature (degC)=13.0506; Oxygen (umol/kg)=0.47; Chlorophyll a (ug/L)=0.13; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP2C48D150_C.mzXML,190130_SmpMP2C48D150_C.mzXML SUBJECT_SAMPLE_FACTORS - MP2C44D200_A Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):200 Cruise=RR1805_StP2; Cast=44; Feature=Mid Anoxic; Volume=10; Salinity (PSU)=34.7728; Temperature (degC)=11.9548; Oxygen (umol/kg)=0.74; Chlorophyll a (ug/L)=0.07; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP2C44D200_A.mzXML,190130_SmpMP2C44D200_A.mzXML SUBJECT_SAMPLE_FACTORS - MP2C44D200_B Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):200 Cruise=RR1805_StP2; Cast=44; Feature=Mid Anoxic; Volume=10; Salinity (PSU)=34.7728; Temperature (degC)=11.9548; Oxygen (umol/kg)=0.74; Chlorophyll a (ug/L)=0.07; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP2C44D200_B.mzXML,190130_SmpMP2C44D200_B.mzXML SUBJECT_SAMPLE_FACTORS - MP2C44D200_C Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):200 Cruise=RR1805_StP2; Cast=44; Feature=Mid Anoxic; Volume=10; Salinity (PSU)=34.7728; Temperature (degC)=11.9548; Oxygen (umol/kg)=0.74; Chlorophyll a (ug/L)=0.07; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP2C44D200_C.mzXML,190130_SmpMP2C44D200_C.mzXML SUBJECT_SAMPLE_FACTORS - MP2C44D275_A Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):275 Cruise=RR1805_StP2; Cast=44; Feature=Mid Anoxic; Volume=10; Salinity (PSU)=34.7125; Temperature (degC)=11.0776; Oxygen (umol/kg)=0.73; Chlorophyll a (ug/L)=0.07; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP2C44D275_A.mzXML,190130_SmpMP2C44D275_A.mzXML SUBJECT_SAMPLE_FACTORS - MP2C44D275_B Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):275 Cruise=RR1805_StP2; Cast=44; Feature=Mid Anoxic; Volume=10; Salinity (PSU)=34.7125; Temperature (degC)=11.0776; Oxygen (umol/kg)=0.73; Chlorophyll a (ug/L)=0.07; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP2C44D275_B.mzXML,190130_SmpMP2C44D275_B.mzXML SUBJECT_SAMPLE_FACTORS - MP2C44D275_C Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):275 Cruise=RR1805_StP2; Cast=44; Feature=Mid Anoxic; Volume=10; Salinity (PSU)=34.7125; Temperature (degC)=11.0776; Oxygen (umol/kg)=0.73; Chlorophyll a (ug/L)=0.07; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP2C44D275_C.mzXML,190130_SmpMP2C44D275_C.mzXML SUBJECT_SAMPLE_FACTORS - MP2C44D400_A Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):400 Cruise=RR1805_StP2; Cast=44; Feature=Mid Anoxic; Volume=10; Salinity (PSU)=34.607; Temperature (degC)=9.1865; Oxygen (umol/kg)=0.80; Chlorophyll a (ug/L)=0.00; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP2C44D400_A.mzXML,190130_SmpMP2C44D400_A.mzXML SUBJECT_SAMPLE_FACTORS - MP2C44D400_B Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):400 Cruise=RR1805_StP2; Cast=44; Feature=Mid Anoxic; Volume=10; Salinity (PSU)=34.607; Temperature (degC)=9.1865; Oxygen (umol/kg)=0.80; Chlorophyll a (ug/L)=0.00; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP2C44D400_B.mzXML,190130_SmpMP2C44D400_B.mzXML SUBJECT_SAMPLE_FACTORS - MP2C44D400_C Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):400 Cruise=RR1805_StP2; Cast=44; Feature=Mid Anoxic; Volume=10; Salinity (PSU)=34.607; Temperature (degC)=9.1865; Oxygen (umol/kg)=0.80; Chlorophyll a (ug/L)=0.00; RAW_FILE_NAME(Raw_File_Names)=190122_SmpMP2C44D400_C.mzXML,190130_SmpMP2C44D400_C.mzXML #COLLECTION CO:COLLECTION_SUMMARY Samples were collected in the North Pacific for metabolomics analysis of CO:COLLECTION_SUMMARY particulate material within the upper 3000 m. Samples for the oxic North Pacific CO:COLLECTION_SUMMARY gyre (NPG) depth profile were collected during the MGL1704 cruise (Gradients II) CO:COLLECTION_SUMMARY aboard the R/V Marcus Langseth at eight depths between 15 and 3000 m on June 10, CO:COLLECTION_SUMMARY 2017 (St 17; 32ºN 157.6ºW). During the RR1805 cruise (POMZ 2018), samples for CO:COLLECTION_SUMMARY the eastern tropical North Pacific (ETNP) ODZ depth profiles were taken at two CO:COLLECTION_SUMMARY stations, one coastal (St. P1; 20.3 ºN 106.1ºW) at eight depths between 10 and CO:COLLECTION_SUMMARY 1500 m and one offshore (St. P2; 16.9ºN 107ºW) at eight depths between 10 and CO:COLLECTION_SUMMARY 400 m, from April 14, 2018 to May 2, 2018 aboard the R/V Roger Revelle. At each CO:COLLECTION_SUMMARY sampling location, single or triplicate filters were collected for environmental CO:COLLECTION_SUMMARY metabolomics, using 10-L Niskin bottles on a CTD-rosette. Each sample set was CO:COLLECTION_SUMMARY collected between 1 and 4 PM. Cast numbers were recorded according to the order CO:COLLECTION_SUMMARY of deployments during each sampling event to ensure traceability and CO:COLLECTION_SUMMARY organization. At each depth, 10 L of seawater was collected into polycarbonate CO:COLLECTION_SUMMARY carboys and the seawater particulates were harvested by gentle filtration onto CO:COLLECTION_SUMMARY 147 mm 0.2-µm PTFE Omnipore Membrane filters using a peristaltic pump, flash CO:COLLECTION_SUMMARY frozen in liquid N2, and stored at -80°C. Additional ancillary measurements CO:COLLECTION_SUMMARY were collected to characterize the environmental and biological setting. For CO:COLLECTION_SUMMARY both cruises, Salinity (PSU), Temperature (degC), Oxygen (umol/kg), and CO:COLLECTION_SUMMARY Chlorophyll a (ug/L) were collected using a Seabird 911 Conductivity Temperature CO:COLLECTION_SUMMARY Density meter, a Seabird SBE 43 Dissolved Oxygen Sensor, and a WETLabs ECO CO:COLLECTION_SUMMARY Chlorophyll Fluorometer. Differences in sample types were grouped a priori by CO:COLLECTION_SUMMARY measured environmental characteristics. The surface is defined as the upper CO:COLLECTION_SUMMARY water column, where chlorophyll remains relatively constant. The deep CO:COLLECTION_SUMMARY chlorophyll maximum (DCM) represents the highest fluorescence point near the CO:COLLECTION_SUMMARY surface. The oxycline is described as a sharp drop in oxygen from >200 µmol CO:COLLECTION_SUMMARY kg-1 in the surface to zero, while the secondary chlorophyll maximum (SCM) CO:COLLECTION_SUMMARY corresponds to the point where peak fluorescence occurs below the DCM, with no CO:COLLECTION_SUMMARY detectable oxygen. The mid-anoxic and mid-oxic zones extend from 120 to 600 CO:COLLECTION_SUMMARY meters, with the mid-anoxic zone lacking oxygen and the mid-oxic zone containing CO:COLLECTION_SUMMARY measurable levels. Deep oxic samples were taken from depths of 1,000 meters and CO:COLLECTION_SUMMARY beyond, where oxygen is present. CO:SAMPLE_TYPE Suspended Marine Particulate Matter #TREATMENT TR:TREATMENT_SUMMARY No treatments - this was a study of the natural marine microbial population TR:TREATMENT_SUMMARY within the upper 3000 meters in the North Pacific Gyre (32ºN 157.6ºW) and the TR:TREATMENT_SUMMARY Eastern Tropical North Pacific Oxygen Deficient Zone (20.3 ºN 106.1ºW and TR:TREATMENT_SUMMARY 16.9ºN 107ºW) #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Each sample was extracted using a modified Bligh-Dyer extraction. Filters were SP:SAMPLEPREP_SUMMARY cut up and split between Teflon centrifuge tubes containing a mixture of 100 µm SP:SAMPLEPREP_SUMMARY and 400 µm silica beads. Heavy isotope-labeled internal standards were added to SP:SAMPLEPREP_SUMMARY each sample along with ~2mL of cold aqueous solvent (50:50 methanol:water) and SP:SAMPLEPREP_SUMMARY ~3 mL of cold organic solvent (dichloromethane). Samples were shaken on a SP:SAMPLEPREP_SUMMARY FastPrep-24 Homogenizer for 30 seconds, followed by chilling in a -20°C SP:SAMPLEPREP_SUMMARY freezer. This process was repeated for three bead-beating cycles, totaling 30 SP:SAMPLEPREP_SUMMARY minutes of chilling. Organic and aqueous layers were separated by centrifugation SP:SAMPLEPREP_SUMMARY (4,300 rpm for 2 minutes or 5,000 rpm for 90 seconds at 4°C). The aqueous layer SP:SAMPLEPREP_SUMMARY was transferred to a new glass tube and rinsed three times with additional cold SP:SAMPLEPREP_SUMMARY aqueous solvent. Combined aqueous fractions were extracted with cold SP:SAMPLEPREP_SUMMARY dichloromethane, centrifuged, and dried under N2 gas. The remaining organic SP:SAMPLEPREP_SUMMARY layer in the bead-beating tube was rinsed two additional times with cold organic SP:SAMPLEPREP_SUMMARY solvent, combined, centrifuged, transferred to a new glass tube, and dried under SP:SAMPLEPREP_SUMMARY N2 gas. Dried aqueous fractions were re-dissolved in 380 µL of water, while SP:SAMPLEPREP_SUMMARY organic fractions were re-dissolved in 380 µL of 1:1 water:acetonitrile. To SP:SAMPLEPREP_SUMMARY both fractions, 20 µL of isotope-labeled injection standards were added. Blank SP:SAMPLEPREP_SUMMARY filters or media blanks were extracted alongside samples as methodological SP:SAMPLEPREP_SUMMARY controls. SP:PROCESSING_STORAGE_CONDITIONS On ice SP:EXTRACTION_METHOD Bligh-Dyer SP:EXTRACT_STORAGE -80℃ #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Waters Acquity I-Class CH:COLUMN_NAME Waters Acquity UPLC HSS Cyano (100 x 2.1mm,1.8um) CH:SOLVENT_A 100% water; 0.1% formic acid CH:SOLVENT_B 100% acetonitrile; 0.1% formic acid 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_Lab_LC_Methods_2019.txt #ANALYSIS AN:ANALYSIS_TYPE MS AN:ANALYSIS_PROTOCOL_FILE Ingalls_Lab_MS_Methods_2019.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 attached protocol. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Normalized Peak Area per Liter of Sea Water filtered MS_METABOLITE_DATA_START Samples DOS-1070m_1 DOS-1070m_2 DOS-1070m_3 DOS-120m_1 DOS-120m_2 DOS-120m_3 DOS-15m_1 DOS-15m_2 DOS-15m_3 DOS-3000m_1 DOS-3000m_2 DOS-3000m_3 DOS-300m_1 DOS-300m_2 DOS-300m_3 DOS-45m_1 DOS-45m_2 DOS-45m_3 DOS-590m_1 DOS-590m_2 DOS-590m_3 DOS-90m_1 DOS-90m_2 MP1C62D10_1 MP1C62D10_2 MP1C62D10_3 MP1C62D1000_1 MP1C62D1000_2 MP1C62D1000_3 MP1C62D150_1 MP1C62D150_2 MP1C62D150_3 MP1C62D1500_1 MP1C62D1500_2 MP1C62D1500_3 MP1C62D25_1 MP1C62D25_2 MP1C62D25_3 MP1C62D40_1 MP1C62D40_2 MP1C62D40_3 MP1C62D500_1 MP1C62D500_2 MP1C62D500_3 MP1C62D75_1 MP1C62D75_2 MP1C62D75_3 MP2C44D0_A MP2C44D0_B MP2C44D0_C MP2C44D110_A MP2C44D110_B MP2C44D110_C MP2C44D150_A MP2C44D150_B MP2C44D150_C MP2C44D200_A MP2C44D200_B MP2C44D200_C MP2C44D275_A MP2C44D275_B MP2C44D275_C MP2C44D400_A MP2C44D400_B MP2C44D400_C MP2C44D50_A MP2C44D50_B MP2C44D50_C MP2C44D75_A MP2C44D75_B MP2C44D75_C MP2C48D150_A MP2C48D150_B MP2C48D150_C MP2C49D105_A MP2C49D105_B MP2C49D105_C MP2C50D110_A MP2C50D110_B MP2C50D110_C Factors Latitude:32.00046 | Longitude:-157.599966 | Sample source:Marine particulate organic matter | Depth (m):1070 Latitude:32.00046 | Longitude:-157.599966 | Sample source:Marine particulate organic matter | Depth (m):1070 Latitude:32.00046 | Longitude:-157.599966 | Sample source:Marine particulate organic matter | Depth (m):1070 Latitude:32.00046 | Longitude:-157.599966 | Sample source:Marine particulate organic matter | Depth (m):120 Latitude:32.00046 | Longitude:-157.599966 | Sample source:Marine particulate organic matter | Depth (m):120 Latitude:32.00046 | Longitude:-157.599966 | Sample source:Marine particulate organic matter | Depth (m):120 Latitude:32.00046 | Longitude:-157.599966 | Sample source:Marine particulate organic matter | Depth (m):15 Latitude:32.00046 | Longitude:-157.599966 | Sample source:Marine particulate organic matter | Depth (m):15 Latitude:32.00046 | Longitude:-157.599966 | Sample source:Marine particulate organic matter | Depth (m):15 Latitude:32.00046 | Longitude:-157.599966 | Sample source:Marine particulate organic matter | Depth (m):3000 Latitude:32.00046 | Longitude:-157.599966 | Sample source:Marine particulate organic matter | Depth (m):3000 Latitude:32.00046 | Longitude:-157.599966 | Sample source:Marine particulate organic matter | Depth (m):3000 Latitude:32.00046 | Longitude:-157.599966 | Sample source:Marine particulate organic matter | Depth (m):300 Latitude:32.00046 | Longitude:-157.599966 | Sample source:Marine particulate organic matter | Depth (m):300 Latitude:32.00046 | Longitude:-157.599966 | Sample source:Marine particulate organic matter | Depth (m):300 Latitude:32.00046 | Longitude:-157.599966 | Sample source:Marine particulate organic matter | Depth (m):45 Latitude:32.00046 | Longitude:-157.599966 | Sample source:Marine particulate organic matter | Depth (m):45 Latitude:32.00046 | Longitude:-157.599966 | Sample source:Marine particulate organic matter | Depth (m):45 Latitude:32.00046 | Longitude:-157.599966 | Sample source:Marine particulate organic matter | Depth (m):590 Latitude:32.00046 | Longitude:-157.599966 | Sample source:Marine particulate organic matter | Depth (m):590 Latitude:32.00046 | Longitude:-157.599966 | Sample source:Marine particulate organic matter | Depth (m):590 Latitude:32.00046 | Longitude:-157.599966 | Sample source:Marine particulate organic matter | Depth (m):90 Latitude:32.00046 | Longitude:-157.599966 | Sample source:Marine particulate organic matter | Depth (m):90 Latitude:20.1236 | Longitude:-106.0308 | Sample source:Marine particulate organic matter | Depth (m):10 Latitude:20.1236 | Longitude:-106.0308 | Sample source:Marine particulate organic matter | Depth (m):10 Latitude:20.1236 | Longitude:-106.0308 | Sample source:Marine particulate organic matter | Depth (m):10 Latitude:20.1236 | Longitude:-106.0308 | Sample source:Marine particulate organic matter | Depth (m):1000 Latitude:20.1236 | Longitude:-106.0308 | Sample source:Marine particulate organic matter | Depth (m):1000 Latitude:20.1236 | Longitude:-106.0308 | Sample source:Marine particulate organic matter | Depth (m):1000 Latitude:20.1236 | Longitude:-106.0308 | Sample source:Marine particulate organic matter | Depth (m):150 Latitude:20.1236 | Longitude:-106.0308 | Sample source:Marine particulate organic matter | Depth (m):150 Latitude:20.1236 | Longitude:-106.0308 | Sample source:Marine particulate organic matter | Depth (m):150 Latitude:20.1236 | Longitude:-106.0308 | Sample source:Marine particulate organic matter | Depth (m):1500 Latitude:20.1236 | Longitude:-106.0308 | Sample source:Marine particulate organic matter | Depth (m):1500 Latitude:20.1236 | Longitude:-106.0308 | Sample source:Marine particulate organic matter | Depth (m):1500 Latitude:20.1236 | Longitude:-106.0308 | Sample source:Marine particulate organic matter | Depth (m):25 Latitude:20.1236 | Longitude:-106.0308 | Sample source:Marine particulate organic matter | Depth (m):25 Latitude:20.1236 | Longitude:-106.0308 | Sample source:Marine particulate organic matter | Depth (m):25 Latitude:20.1236 | Longitude:-106.0308 | Sample source:Marine particulate organic matter | Depth (m):40 Latitude:20.1236 | Longitude:-106.0308 | Sample source:Marine particulate organic matter | Depth (m):40 Latitude:20.1236 | Longitude:-106.0308 | Sample source:Marine particulate organic matter | Depth (m):40 Latitude:20.1236 | Longitude:-106.0308 | Sample source:Marine particulate organic matter | Depth (m):500 Latitude:20.1236 | Longitude:-106.0308 | Sample source:Marine particulate organic matter | Depth (m):500 Latitude:20.1236 | Longitude:-106.0308 | Sample source:Marine particulate organic matter | Depth (m):500 Latitude:20.1236 | Longitude:-106.0308 | Sample source:Marine particulate organic matter | Depth (m):75 Latitude:20.1236 | Longitude:-106.0308 | Sample source:Marine particulate organic matter | Depth (m):75 Latitude:20.1236 | Longitude:-106.0308 | Sample source:Marine particulate organic matter | Depth (m):75 Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):10 Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):10 Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):10 Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):110 Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):110 Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):110 Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):150 Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):150 Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):150 Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):200 Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):200 Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):200 Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):275 Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):275 Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):275 Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):400 Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):400 Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):400 Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):50 Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):50 Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):50 Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):75 Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):75 Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):75 Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):150 Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):150 Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):150 Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):105 Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):105 Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):105 Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):110 Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):110 Latitude:16.5562 | Longitude:-107.0091 | Sample source:Marine particulate organic matter | Depth (m):110 Agmatine 21856.09473 20637.68657 21754.70259 14982.4915 18429.87196 18573.39191 1138.695415 702.8654376 1188.023165 25495.35074 30620.97936 29387.66839 613.301464 33643.42654 26332.94787 110214.2964 119303.7754 102038.8592 2411.437075 2832.76095 2484.423701 70872.38691 74576.73048 89532.48861 8786.881504 10610.00855 9616.791945 183820.3103 181604.558 198368.0202 231435.8967 273766.4885 251553.4164 2726.993176 3951.453833 3446.777303 383660.142 362050.5287 409211.0441 13787.73084 51167.23781 18264.75657 56787.90536 56139.88591 17222.19738 10716.72623 3974.22148 8759.030608 3894.195427 1968.794003 1143.047575 10408.82586 2488.17655 931.5392538 691.7597649 1529.69572 31341.24602 82436.99991 39989.68398 13405.66623 47541.41065 8282.146618 51242.38401 4416.901646 29744.29948 65350.02155 35535.23757 32066.00903 19048.21012 26032.57027 66856.76717 Choline 5349737.13 4763857.72 4799941.197 8265476.506 8010659.196 7877055.255 1010185.18 921075.7217 882032.4825 6109692.311 6114494.105 5791931.856 12247954 11078886.23 38442222.69 40898728.48 41097362.6 4466719.357 4983543.192 4242280.92 47482283.14 46520199.65 44021828.61 4867378.155 5478356.74 4737153.297 63794152.71 70004432 73514826.18 35091815.1 35245621.52 35669539.94 36862768.25 38506683.94 36990537.46 11460734.15 12673379.27 10611974.61 7467660.802 6435834.862 2392607.158 2431206.447 2054097.216 2398535.874 1209659.614 51744402.18 66623796.13 53878005.85 16432958.23 13647547.45 10734727.64 16352795.88 2298326 5871700.173 8100702.024 7849404.286 7400949.536 5083480.783 5077844.795 4720882.918 Domoic Acid 5867.106003 3247.779883 4552.354304 17536.86865 13647.60395 129882.4956 246436.4406 3703.297102 15791.94401 3259.985738 Isobutyryl-L-carnitine 22550.11165 37466.13899 26708.46716 623697.6874 633613.1217 658772.3044 433319.4865 439864.4389 435559.406 161167.6078 148477.1706 119809.9572 28486.29384 53697.3355 23455.04749 35338.0057 121654.6046 121805.0676 121080.2279 36120.79257 64704.40644 75093.28315 Methylthioadenosine 141671.6646 170822.6535 178815.8392 77298.65997 75036.29081 11493750.28 10407598.7 10158403.71 61373.69399 89226.99197 51624.29785 4185269.305 5281799.907 4767338.048 178914.2157 275195.1569 218309.8335 143937.5241 169211.5164 157954.3364 233414.973 156958.5646 201028.9735 74596.75985 130052.0263 73463.50248 548628.0547 613585.7007 383868.7239 109581.8181 46407.16736 61022.24879 186912.8321 51107.85539 55217.39706 Pyridoxamine 115705.7198 83554.0386 85038.57954 32434.901 27229.36422 25484.37364 19960.42591 17000.39281 16650.56774 43714.59231 34506.89988 33996.60196 82068.44111 65922.86057 180150.3545 180535.8141 197974.8632 512392.497 396263.0092 65334.89184 236674.6126 245590.3943 234949.43 319033.7101 334841.8135 270361.5057 51903.71177 51567.97075 40781.95299 700738.7097 685508.1269 560962.8341 17184.45571 30526.04258 20736.80319 70812.65404 117740.2069 42796.25268 78657.09697 60636.86884 115208.7199 125431.5278 93600.86775 66959.10755 143216.7883 88744.52294 42237.6315 37975.47163 45003.9383 50624.48759 33244.54145 179718.7122 127167.5379 119867.1221 50931.62229 85802.35274 254993.6299 104040.8316 137155.1613 103493.2146 116574.3634 117522.7571 153641.9436 Xanthine 21237.80305 24391.85557 34797.85532 72758.02999 86954.33542 79895.82695 10662.91511 9984.9838 13688.72206 149502.6035 156915.762 167193.6719 8375.972207 230720.3728 269101.5916 642265.508 714892.1622 707258.7452 54335.41871 34386.83459 41416.60001 676329.9345 650096.5839 699184.1215 115433.5622 88781.06285 129003.3713 76203.76169 81436.91859 92365.77258 269572.3467 104976.8608 119341.2453 28501.57838 19691.29687 10390.28852 14309.16889 9524.336817 16039.70419 13763.26031 780046.0397 846155.938 447599.0355 42758.25691 43173.31513 35475.70207 357116.0271 23189.55022 25833.66013 67119.62779 66558.33708 97598.49411 67984.96339 41586.03803 67658.59258 Phenylalanine 753085.2304 803990.2252 785911.634 794907.6926 800454.0854 813676.0009 879574.2638 885442.2267 37262013.99 48791949.35 48609085.84 754771.1066 795272.5263 771072.2517 446056.8139 17698781.89 22911418.06 21988662.01 4509920.701 4813229.462 4899647.965 2303795.058 2244942.094 2359289.354 1957076.22 1330797.6 1130444.813 593979.0348 7346571.367 7115307.107 8564288.966 1792002.512 2033326.151 1667357.349 4702462.445 1580788.182 2759626.795 2650781.756 2028060.259 1055695.526 1175629.024 Tryptophan 136286.4137 132714.4627 130254.1322 211514.4866 209938.8488 207354.3813 49282.01132 49787.85222 49432.18282 253934.6167 250732.2921 265662.8125 335617.8965 345212.828 6582926.583 7762227.654 7737423.569 343143.6653 350001.4289 352658.139 46940.86752 51084.33446 47300.07032 2290885.928 2928320.206 2945210.912 1329817.583 1368959.328 1461488.155 60984.74038 62939.1602 61913.22983 530125.271 530524.3252 532225.8237 635440.2701 310918.5866 313210.7036 293212.4689 248466.8309 243241.6416 87702.74639 105892.4176 96118.38744 42722.3999 110138.9579 176536.7483 50641.47948 42427.37981 48352.38768 1987155.667 1503345.111 1493133.457 385460.606 382704.4607 453118.0942 1133265.055 154253.2189 230481.2003 556221.2901 721605.582 777864.1549 976765.0567 463642.1912 411192.21 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name KEGG ID RT min. mz Emperical Formula CHEBI KEGGNAME Agmatine C00179 0.62 131.129671 C5H14N4 17431 Agmatine; (4-Aminobutyl) guanidine Choline C00114 0.69 104.107539 C5H14NO 15354 Choline; Bilineurine Domoic Acid C13732 2.72 312.144714 C15H21NO6 34727 Domoic acid Isobutyryl-L-carnitine 1.3 232.154884 C11H21NO4 84838 Methylthioadenosine C00170 2.1 298.097387 C11H15N5O3S 17509 5'-Methylthioadenosine; Methylthioadenosine; S-Methyl-5'-thioadenosine; 5-Methylthioadenosine; 5'-Deoxy-5'-(methylthio)adenosine; Thiomethyladenosine; MTA Pyridoxamine C00534 0.65 169.097703 C8H12N2O2 16410 Pyridoxamine; PM Xanthine C00385 1.11 153.041251 C5H4N4O2 15318 Xanthine Phenylalanine C00079 1.15 166.086804 C9H11NO2 17295 L-Phenylalanine; (S)-alpha-Amino-beta-phenylpropionic acid Tryptophan C00078 2.07 205.097703 C11H12N2O2 16828 L-Tryptophan; Tryptophan; (S)-alpha-Amino-beta-(3-indolyl)-propionic acid METABOLITES_END #END