#METABOLOMICS WORKBENCH nak01_20241205_191432 DATATRACK_ID:5431 STUDY_ID:ST003653 ANALYSIS_ID:AN006001 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 HILIC CH:INSTRUMENT_NAME Waters Acquity I-Class CH:COLUMN_NAME SeQuant ZIC-pHILIC (150 x 2.1mm,5um) CH:SOLVENT_A 85% acetonitrile/15% water; 10 mM ammonium carbonate CH:SOLVENT_B 15% acetonitrile/85% water; 10 mM ammonium carbonate CH:FLOW_GRADIENT 100% A for 2 minutes, ramped to 64% B over 18 minutes, ramped to 100% B over 1 CH:FLOW_GRADIENT minute, held at 100% B for 5 minutes, and equilibrated at 100% A for 25 minutes CH:FLOW_RATE 0.15 mL/min CH:COLUMN_TEMPERATURE 30 C CH:METHODS_FILENAME Ingalls_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 4-Hydroxyisoleucine 6307132.496 5651919.377 7312001.488 12391786.57 10648711.61 10015318.24 1359750.812 1301030.96 1656432.03 14185303.03 13600859.44 12748881.75 538402.9909 576894.7741 461235.4335 20371828.98 18314266.28 131972852.3 123194772.8 108169070.2 775884.7189 641121.2011 622272.5179 11140624.25 8999494.491 8634436.734 472723.0019 107044270 94555888.19 90569193.08 38664882.36 26382455.82 25208195.87 1478211.77 999800.6332 1018001.233 19471637.79 15979663.46 13355040.79 18155450.93 13254133.18 11393425.13 6965126.12 8089574.446 7470141.176 5414807.885 5344682.429 3791135.606 2852905.604 3451742.412 2933835.005 2256020.326 1933682.21 2071030.412 561225.9784 517665.6972 38554557.63 35896311.97 39257402.54 10787904.12 9724177.134 9546261.144 30484680.67 6037911.88 8808545.647 13372450.01 8958563.357 13785673.74 18418169.57 12700340.05 11561947.35 Acetyl-L-carnitine 976211.684 923503.9292 1214034.409 1824062.756 1449438.428 1499114.839 681979.1899 652853.8737 791083.5144 1807036.319 1645126.059 1641724.832 359561.883 281393.066 291431.0555 2764301.749 2527674.416 19243557.71 18735324.73 15425529.59 655425.3333 594887.5943 581032.4678 937023.1436 866953.8939 804689.7159 889152.3336 790192.4594 792807.9695 20307370.02 16212251.82 15218181.16 4979965.143 3362886.723 3251978.394 239841.5318 1462759.113 1195864.394 1183490.246 2349766.371 2056782.74 1373214.23 986123.8597 1304297.067 1211359.325 776846.7017 637236.1479 440916.975 340053.3814 468008.8104 326837.95 296116.9417 274245.7763 288411.9847 325364.214 6705429.649 7136997.705 8078813.809 1792001.817 1884262.957 1785804.932 5358932.529 881219.9591 1005501.87 766480.2478 594762.4224 929450.7252 1518089.92 1212679.702 1139076.517 Adenine 15732689.57 14099505.54 19536306.75 46129688.67 37427284.79 36677002.21 53918928.38 50128113.38 45977718.91 60797854.43 48389348.44 136133351.9 128675175.2 110870974.3 37515167.18 31295039.42 29765991.59 174282802.5 146486275.9 140824118.4 78995204.54 55604742.18 51718803.06 80038633.03 66505687.62 53634562.84 36353446.81 60026760.12 41288358.06 28402472.79 32193886.49 33241868.73 16986439.53 14973206.77 12919610.65 17378518.15 12994513.33 11276366.07 15376482.26 12541449.02 11491469.92 53381835.78 140099226.3 149656552 31797992.92 25949539.09 23439070.47 69093274.51 15367966.2 22914095.78 26620981.66 15574443.78 19182624.43 15235831.61 26206769.95 27468447.23 Adenosine 7926905.421 6740114.146 10516416.55 17192516.94 12808424.23 12745869.68 3144268.709 2946093.649 4300502.13 11220956.14 10426764.44 9030831.962 1254634.259 1197823.44 1035015.662 16713415.62 12764633.32 311740897.8 290151516.7 250878817.7 2999371.617 2914908.926 2873264.812 21528366.61 20082804.31 18851670.83 1924951.791 1721494.127 1707420.425 269549244.8 239495159.9 238828799.8 92106080.12 72943365.49 63666066.66 3298302.191 3530307.654 3145312.29 50454670.78 44941593.39 35853676.73 42626309.69 28331738.63 49343168.99 29999715.83 37077570.87 28667588.23 18640124.71 18921070.6 13090083.82 12036969.25 10503768.12 13694402.43 6101111.503 6004000.539 10052612.08 2514207.331 1739232.579 2057225.115 88478216.62 107414517.2 147038644.6 65089168.46 29927351.73 55914827.7 95383959.22 17368423.96 17802154.15 15314907.91 14065607.2 17952660.8 21000427.43 21484067.94 17383539.29 Adenosyl Homocysteine 10573.90511 5721.417961 5854.216304 72037.86745 57640.6539 57049.03128 75365.14557 64710.02306 62527.81334 65673.4637 50500.11431 626421.1672 674209.5767 638867.2197 11070.14999 8707.441084 8578.82992 456099.2353 457714.854 447877.2372 81291.51667 68343.3147 63126.37268 59054.99407 50126.52736 46428.93576 80562.8969 64696.12337 47933.81978 15616.69716 24098.65869 15940.46933 179031.7935 239873.2921 177527.7392 36237.53334 23123.45399 29911.43916 117725.1698 40080.49438 20772.51383 45825.52633 51456.70174 37533.66949 53378.02733 Adenosyl Methionine 14037.43886 20084.90109 56462.96192 59281.52049 48508.13556 114912.8249 126288.9848 120097.671 116189.724 90671.66362 573684.1729 1705710.468 1588731.488 21915.79938 16791.1634 18470.74328 921687.4515 1046142.96 774881.6712 66365.44823 107445.8378 90414.98419 84548.52839 63314.33494 52091.97326 81817.31512 89570.57821 131318.504 32944.99989 41796.62426 36162.70047 14392.1339 14348.78461 61533.74278 8280.051606 6402.968447 76728.81388 14197.58623 7849.791176 2738.357856 7816.972827 624245.2797 487235.6968 373884.7252 58069.67471 24061.53236 47981.44924 159632.9148 14818.30885 3615.087571 15715.08992 11444.64263 18694.61305 36010.39907 33142.50666 27282.78906 Arginine 1203029.592 1331642.944 1120127.705 2192449.706 2619578.797 2852926.085 2215391.377 2489899.343 2536801.093 3979848.077 4751253.236 80929750.98 163185391.6 165959041.7 687231.0413 953853.4455 1051228.488 1240649.126 1385707.958 1311932.916 747519.1447 884968.1824 927384.5338 67043749.88 112166565 110767349.3 23485745.74 32806426.52 35329756.39 3033000.936 3795797.957 3754719.429 5738742.268 3656642.817 3722816.183 1031056.409 822893.5548 824827.6083 325728.6571 640658.9996 15941506.25 23837540 23404324.22 4838471.278 2805687.829 3338577.414 26717584.87 1349888.28 1347336.029 1851239.747 2716585.89 1129834.386 792802.5635 Arsenobetaine 1156845.502 1043457.858 1418265.006 3487591.579 3462757.873 4347125.714 821579.0528 716850.696 681466.1031 220232.3012 214083.2662 203110.846 5722791.33 5237104.037 6906826.62 1385193.018 1261608.913 1243954.875 3504684.103 3236324.579 3080359.261 1945324.956 1713200.4 2015563.362 1857821.384 1715115.031 3902630.657 3327501.686 3412041.606 6503580.992 5406454.183 5323098.009 1599127.962 1415532.106 1430551.238 2071469.694 1687037.162 1653547.563 2345545.439 1762457.434 1619216.12 2433402.41 2060744.114 2057732.378 7290218.627 6026168.667 5541395.566 1902800.476 2068417.257 1833884.236 4338250.973 5749696.071 5222572.236 6225275.113 5262539.051 3896941.602 4533165.2 4829373.788 4083331.148 3544414.44 3427668.948 3383434.553 2313416.91 2398874.311 2415159.077 2061838.225 2772217.395 2553739.741 4037303.549 1990739.029 4266178.82 4368558.036 5959926.742 7355189.875 4635356.604 3686415.536 5379801.21 7960682.453 6358736.496 6984899.855 Asparagine 73423.77623 58658.15277 44585.4089 107488.1181 78060.8426 93937.29773 149862.581 131410.5087 135380.6335 295021.2739 229974.2321 2195488.467 2311416.143 2031030.468 33763.15993 50966.04399 53088.41868 1316280.785 1355908.314 1234399.882 149264.937 194705.0569 187474.3713 76692.64384 108295.6904 99216.13792 361621.8462 198017.0942 216643.2581 46803.62021 42747.4399 62348.44991 1279680.145 838959.6769 707287.1241 121018.249 130355.9433 110709.0158 354137.1082 67807.08332 58316.42495 34818.04068 127109.8612 50148.34343 Aspartic acid 246486.1298 313318.7893 187467.4008 466904.1036 573505.4487 632890.7889 640966.6682 792783.6797 830201.5483 731395.8343 995980.8571 989073.4597 2675707.39 3046587.619 142792.8555 1028493.748 2232705.373 2273896.825 459438.6383 857554.5323 887027.5036 818067.2916 1356657.529 1326835.116 1091962.168 555826.0717 1087782.959 310620.2425 276452.3939 314199.3599 80351.07924 125628.0377 877207.0906 1518025.627 988230.5398 480465.4171 265949.8898 356318.3386 991895.4114 270690.0602 399450.4578 479492.0942 745048.8698 525432.7553 393450.6637 beta-Alanine 445468.9634 431890.4448 411763.8365 330230.8374 328628.2496 345076.2776 251821.5599 296875.0317 288053.1714 1084212.682 1092722.989 4688331.232 6288779.752 6259455.059 3876894.118 4410461.268 4559205.484 557304.1202 789147.732 775293.2771 672977.5104 512741.0621 407310.0312 216621.8712 2495105.76 2586682.349 2099347.003 1276212.089 1039780.89 913701.719 3738774.876 590642.7236 1826037.751 704229.3543 257019.618 Glycine betaine 345608207.8 336732376.2 428172962.2 460618069.9 401498926.1 384045011.2 159612498.1 142491363.3 189077883.5 436598123.3 404586815.2 386574751 53839529.92 48889047.49 46599554.21 747165729.1 672403156.5 3485237237 2872160656 2453934059 84778582.42 73830180.49 76589580.66 195723338.8 167562075.1 163019743.1 64061174.86 55855093.01 55349172.93 4378870900 3236405420 3009828697 2952293329 1909437790 1816323810 37709669.07 32531044.55 31253668.44 2376030066 1873973005 1664309035 625702536 628574641.5 459139642.7 706786015.3 848522164 799306441.1 101221961.6 106001915 72596017.38 44641951.09 47540111.99 46541210.48 36141784.7 35011357.66 36417233.21 1640913979 2420204338 2672204896 1241659637 1041473941 1099889652 1674837069 152217523.4 210021636.8 1084061326 824962870.5 1180775289 1576909416 1252920744 1214331811 Butyryl-L-carnitine 35167.7963 84006.79381 75830.12568 70377.14737 69600.24501 79235.65827 89366.92683 123373.5456 114300.9391 1194453.691 1124950.366 995701.7048 42232.5223 28760.56922 773041.329 666766.3547 641953.1029 271639.2208 176887.3527 180756.3147 140510.4743 96034.08926 30629.2764 76261.14212 64358.62346 393534.3784 472200.2322 546751.6864 115658.6347 90304.37276 254475.8483 48714.72481 Carnitine 4148572.841 3870560.886 5066267.12 15858645.79 13056978.52 13123936.72 2234257.468 1995117.046 2673437.638 12612521.65 11905274.91 11550826.23 11366567.16 10166965.83 126774507.9 110258684.6 95579589.78 2190608.267 1805787.951 1720084.29 8628585.522 6382577.069 6445727.946 1286673.336 1258542.423 98193811.74 79746685.38 74567161.76 27782494.64 18423589.68 17735791.31 1890316.743 1548731.844 1514663.994 15134328 11863199.45 10245514.72 17160206.32 17997010.55 12924358.07 4895464.682 6731530.493 5149206.699 5060857.698 4339419.635 3479782.172 4266441.575 4265556.865 3851680.676 3741851.487 3076806.705 3206342.268 2082222.914 1394994.803 1757170.143 28763503.98 37388182.3 36136739.63 10312232.45 10737331.1 10061877.5 27109308.03 4453152.878 5940618.469 13087676.4 9302690.215 13650405.95 13277068.12 9979834.224 7877597.276 Chitobiose 4329.233565 10910.91677 640.4938608 10795.17536 665.8845442 2926.821328 2333.729697 3108.542375 3883.355695 3087.658121 1418.785383 2378.803812 2316.652092 9398.705292 12907.34463 2436.00594 9618.848596 136374.8802 461365.0148 566265.4369 436.5299411 6589.796377 1207.541701 2093.499912 4960.297017 57461.22103 159246.1819 178986.5646 10552.47025 42403.80687 60529.89684 464.203565 2058.656602 7056.985437 1570.045576 3091.421851 8698.598365 1416.297167 458.7969139 1193.496406 1521.073599 4261.734108 928.0749324 1226.756975 934.3636417 4106.229091 1227.62842 632.4699099 11588.5785 1867.323858 41922.11098 52197.86748 36411.32528 1084.895115 363.9101197 1305.533617 1448.54765 1658.536779 472.6825081 1100.292865 930.9295211 1962.843392 1672.568453 522.1547834 Creatine 1832936.199 1331553.77 2400753.842 2603649.575 1443044.205 1237514.252 3627733.441 2530872.024 1863584.426 5000790.465 2870837.877 102889586.1 51838054.63 44257128.81 1252243.321 9959763.814 5464458.028 5405940.696 1118126.189 75936163.03 38632907.3 34936321.33 37597075.33 12876712.17 11207488.36 2197032.317 914518.7757 14803625.14 7005518.579 5639092.245 8275985.699 5055670.613 10749914.99 4210532.5 9886282.83 3889361.987 6509963.624 3379102.44 3296399.573 957206.6257 1289748.553 1682428.755 992746.8051 27310742.09 21664346.11 21615092.08 15353574.45 34563773.15 11768406.24 21875338.02 2424432.205 4455731.352 13775184.66 14357698.31 12406067.47 13927469.17 10341708.57 10345723.33 Cystathionine 3148.257302 1551.157031 1907.844174 14152.33504 18679.3167 15131.77486 17400.30053 17194.04065 13552.43178 23908.38033 29696.45228 80121.31431 203525.4599 241228.6962 903.5364738 927.9762751 1295.469384 13307.62452 24177.14943 21256.50923 76982.95157 154657.9778 172401.0418 18941.3912 33768.74422 42219.81609 5646.19157 5743.385932 32865.01752 54788.57744 50429.06499 20316.91669 4329.994328 16863.11073 4688.394475 1114.308896 5137.493499 2527.025125 4696.165591 4420.344919 1267.783589 2940.55351 647.67674 41025.78579 70898.30602 62143.56908 22042.5438 9822.874154 10654.63261 35529.92242 3368.786292 15454.41518 18218.06007 23741.19438 26625.34638 18939.85281 8007.060353 Cytosine 1765786.721 1659143.806 2103148.847 13828875.15 12969281.61 16375831.81 27474966.97 24120708.74 20725973.99 6099393.578 5498929.633 7451166.558 25923141.14 24319674.09 23066536.83 3049148.331 2887645.99 2688054.812 39567303.44 34755501.46 51459661.94 40616910.66 38375414.94 2564216.988 2625589.551 2568828.501 25729426.85 23800460.91 23735613.08 3002297.192 2930010.475 2924971.514 71083385.35 55078206.02 53332911.77 40603779.55 28443559.5 27942820.26 4634474.476 4975023.935 4863316.645 61447410.46 57885548.37 51406943.94 11568800.14 20047651.7 14290446.37 19130786.13 17744904.9 15830201.18 7846195.197 8295100.288 7301552.938 7731580.256 5980614.284 6513596.966 7293087.504 5317676.135 5150494.662 2293149.478 3515071.966 2666969.308 42443731.92 60359080.58 62412118.26 17948072.71 13732949.53 18338142.77 29187365.53 9908429.568 14144491.2 30721717.76 21464797.48 32592801.57 56037727.24 31041413.56 29149073.82 Deoxyadenosine 1082100.051 1074616.984 1363643.409 2799739.462 2419459.028 2228298.189 665507.7571 626984.9405 826399.9415 1914946.676 1892972.734 1745727.999 3045558.699 2899812.625 20297371.68 21296053.47 19229258.11 9076756.955 7453590.408 7219383.776 17581545.62 20323465.75 20341429.32 4157787.553 3615378.495 3540716.946 7023891.08 5713564.786 4809028.949 1550413.736 2440816.079 3792557.484 3954806.946 4673279.694 4183817.948 1546520.725 2454737.064 1531115.096 1242374.042 1000489.285 2285038.227 863049.165 766418.2866 1324554.377 8831585.076 15111732.72 21360194.23 5326313.82 1866925.479 4241416.477 4113410.624 1484158.5 1573679.913 1805767.25 864124.0569 1481595.109 2902878.576 2237843.159 2417162.409 Dimethylsulfonioacetate (DMS-Ac) 2885959.536 2536868.976 3217842.656 7683516.804 7045075.222 8478862.292 76641054.73 67619697.74 63706077.49 971163.3542 940891.8701 1105936.133 110763123.4 110403423.9 105203469.1 925247.9484 809476.7534 795447.0402 47535643.93 43596758.01 317193582.7 293757836.2 258204282.8 385367251.4 340073402.7 325836821.8 36286060.28 25115666.47 24589247.19 889431.6164 740953.0272 614753.3179 31249511.51 33197039.84 22151487.58 541557.011 415203.6789 371897.061 458194.5499 380907.8022 118323309.9 197428086.7 160461777.2 13613418.44 9995399.182 12919635.17 112382153.8 2602613.733 1458525.923 1894777.868 492291.0653 DMSP 9528485.89 8415493.768 11721522.88 52371199.24 49751284.03 65965255.47 249290875.1 197912657.4 196223260.8 10874536.49 9751545.179 13373051.48 430718196.5 412140631.4 395682880.3 5680960.163 5008207.464 4922609.095 157879886.6 142190934.4 761040944.6 621409569.1 534104491.8 13724652.17 9948978.966 9724171.747 4365016.299 3539150.628 3506311.576 521472053.6 407271131.7 372797661.4 177804824.8 113655940.7 108223831 2781604.947 29109005.52 22262190.36 19008465.4 128103800.7 218852512.9 102116150.4 7858578.211 11160506.45 7888746.165 5201993.651 4205446.354 3480718.695 3992070.159 52819647.66 154458974.4 205472737.6 94957513.36 104899352.1 74103516.35 127256678.8 4325523.128 8171780.427 18715830.6 14275922.19 20452914.67 27326716.8 16473893.21 11911074.45 Ectoine 10172083.98 9294982.414 12259939.62 5220281.857 4637069.786 6138970.146 3524477.375 2904758.84 2785582.527 14198851.86 10374661.31 10277879.66 30491018.27 22145810.14 21313408.23 9592624.179 7636815.808 7378865.58 57599341.67 43115496.26 39968309.09 108491179.6 85262984.26 71469947.55 21587450 11764724.09 11687612.58 44350850.01 78409972.27 48678109.42 24202147.99 29944575.23 15327729.41 20457683.31 15429313.83 17254768.76 9023649.84 6408240.389 14865323.95 5615802.097 3977754.883 47365511.34 78441210.6 49329279.69 96386983.53 37857032.2 52050285.98 28810509.5 15206068.03 26477418.01 62218194.7 38290654.63 63474468.74 76265509.84 51742542.93 41104723.52 Glucosylglycerol 1110.17968 170639.4681 168081.8739 226082.0541 407115.2697 360684.3877 362067.4778 258928.8257 209426.3286 219345.4185 1225241.648 1055127.455 4889674.524 4253137.855 4357068.501 1413.28578 38981.06397 25325.41957 29447.52733 3005.857277 2008.246121 2498.573921 4982393.378 4032137.853 3835008.698 407848.7182 348915.4901 277685.8515 2378.717831 1911.483371 224463.9593 166048.6046 162551.405 290096.6024 275626.4415 216298.1024 27008.58458 19401.02965 25466.51625 2029.213813 2351.626498 1201.58262 3429764.567 3280609.909 2583451.748 376404.9944 174039.5236 285103.1283 364808.1601 31226.20121 16740.26775 29352.83249 34228.21977 19148.43535 22874.96255 Glutamic acid 4947830.099 6332234.827 2222729.636 10034404.19 11934023.54 6927097.934 12828653.26 14288749.72 16680848.83 3444838.504 4250045.121 4763499.324 6880321.9 8845800.065 4669645.068 14682297.75 15735824.2 18785298.84 5372550.494 6615454.035 7588577.066 20452730.55 22846976.73 39819750.17 97511346.38 103935563.3 3261434.632 5605355.658 5768108.111 11207958.04 12381167.96 12519317.62 4165603.248 5601819.392 6101970.859 36007655.38 66149438.06 67384139.45 15313476.55 23230147.54 24721859.14 4645965.857 7023649.43 7665448.795 24944979.16 31329501.23 29637068.36 17786033.88 15953804.45 19384160.01 12288551.65 11720701.77 12694621.04 8619613.614 9302299.293 6933024.921 10926656.12 8338390.975 7307108.158 7881125.956 7832199.453 8014777.828 3834510.988 4383620.341 4070338.314 19417328.92 39828001.57 33899726.68 15428097.22 9039955.503 12301476.02 18314510.8 9800590.428 7597738.766 7621962.66 9168458.764 10502732.72 17082508.2 13613306.86 12468698.51 Glutamine 1813722.037 1351349.014 2207417.121 11729260.43 8829663.401 8472466.697 692407.5048 551737.4733 819457.6924 15744075.23 12363446.15 11351563.92 5998874.219 4932928.731 70171192.8 53838329.75 49986822.82 744137.5147 665427.2755 570280.7358 2197530.54 1679648.646 1673053.82 559217.8278 506962.372 488271.6439 31455088.23 27882027.91 24728955.19 7167422.795 6583994.744 5560614.922 848789.6154 772588.9852 695354.9755 8116956.343 5410643.693 5252940.889 17927247.91 11793566.43 11875207.52 5371518.39 9379458.46 9248491.864 801038.9183 888136.7249 1269004.111 557627.8567 619610.3303 983115.7519 906612.3214 554242.705 617724.8943 365584.1888 18794513.32 13475217.4 13266246.16 5109866.825 2284562.379 3780578.794 14053439.55 1097183.611 1965202.392 3995889.372 3840924.671 4837236.666 8406449.87 6351446.979 10655418.19 Glycine 210276.9789 212544.2369 5146479.532 5837919.758 5903958.085 3205396.692 3145340.683 3013974.368 1139961.417 1382917.27 1385130.344 334243.9589 250334.9459 192832.3 55211.38652 105094.3797 1316554.838 1213683.88 1048623.918 446273.9267 457008.6922 294563.6559 1212604.034 84827.59014 156503.1554 91977.51216 Gonyol 1573873.915 2168685.9 984057.6526 20145028.44 34572479.9 41464368.68 13211789.56 22187958.15 27907181.23 7824791.637 12126185.02 23530124.11 46533903.74 53174474.9 773201.1021 1431495.957 1551742.375 12096033.15 22332357.5 26985430.3 3427219.659 7927694.985 9849220.788 1187892.562 2568052.982 2925045.485 12613856.29 5465250.151 11650614.72 482469.9485 239227.194 6135034.155 14362137.68 5841261.689 1343285.144 809586.4208 1065678.329 9706792.195 305072.118 763482.4408 799758.48 1035283.26 1301688.375 542014.8474 350060.3096 Guanine 2760285.417 5518848.111 30701818.2 49070238.45 24577381.74 53231362.45 64063091.84 106152169.8 3147939.926 9222034.021 15910864.15 8203380.453 69955982.86 69067410.34 76929782.83 5543003.344 8166483.539 12212105.3 102318346.3 110119337.5 110962716.2 104894480.8 95643903.3 3332955.86 3705558.905 4232004.582 28055747.25 30117149.99 32202442.12 3581154.936 5106225.594 6565593.63 81753478.18 80532907.85 79973191.74 30259801.58 36379546.8 38061461.16 5895510.718 6673443.564 8154712.53 51998834.47 54268981.99 59797141.83 40292283.06 48632562.35 42235956.35 18169957.04 17493476.68 13305068.88 11407448.38 10965191.49 15418224.74 10604338.99 7167468.649 10792329.17 8943955.104 4025000.333 3434802.408 6335926.88 3914103.015 88433150.37 96751964.27 68145461.68 20618867.95 21745273.98 20476117.87 56172752.74 14966887.87 18810613.7 27471557.27 23570375.92 28800404.78 56069488.83 34907286.83 35869665.45 Guanosine 250189.106 239997.6319 53892.11042 527349.5386 521946.5805 501124.0691 86446.90874 74253.69629 12153.03707 203537.1795 317838.8572 305798.5865 18751.5526 26008.57519 26066.31166 590459.6675 541972.444 15659310.24 45381639.62 46778791.94 41554.53681 41823.49858 135248.4761 613001.678 614565.9046 44333.13919 40595.16813 5078676.854 15619352.89 16454097.15 8514249.2 28450917.19 30205689.86 16305.84293 80660.26307 86630.19919 270045.3974 1205855.361 1165380.9 435262.6848 83738.95381 523671.6998 197912.4921 210305.0004 180740.4285 135567.4565 308216.5638 260379.496 99069.97061 65016.92352 272113.2958 68231.18229 28452.67302 69857.06145 14710.14032 33297.25544 46870.03753 2874688.417 2145158.807 1318872.339 328355.2626 123494.249 310240.1795 571382.9749 245694.6309 81790.9764 66748.40982 147590.7105 110801.7116 215869.8915 110243.5165 71594.38543 Homarine 753991.3539 702313.3106 959151.0935 23061779.61 23183364.85 28335334.65 39683115.71 34216946.69 32878181.85 8458100.905 8175790.282 10394522.86 37769774.41 37143459.25 34968884.51 2329939.163 2081130.016 2075444.826 96737293.65 87896360.48 2207046928 1961383689 1663066527 8819501.752 7737980.815 7465060.006 4915364.571 4040948.698 4056522.56 2629771.581 2318584.217 2304639.098 2008971255 1699428482 1611255506 1202002460 816591446.6 804623152 1389998.991 1242227.421 1173950.448 17479770.88 14568477.1 12926820 60786723.09 66540862.15 49090494.2 6545819.023 2999016.286 2910011.115 1098859.884 711562.5151 1180116.882 719655.0591 358214257.5 501482753.7 468226879.6 81319660.01 62391478.4 69809108.47 342327091.9 1212496.718 1959238.656 7132550.454 4892608.39 11779461.25 5481790.222 4808636.217 5642358.354 Hypotaurine 14977.50791 11817.2608 9485.191475 24034.21139 13077.79506 13156.62483 1032.148778 19598.38654 11238.2563 15206.09598 63419.88911 51027.65817 1425350.762 1079373.496 965409.6561 810.3335482 28878.27722 21080.00648 22672.93233 551147.4004 484688.0543 412380.4128 94539.14296 79862.45101 63780.50465 747.3196195 26414.51564 25679.84251 15582.58859 52751.71584 35819.61346 21856.08123 1008.576563 6845.593953 2196.98967 1307.070903 5336.610319 12361.09833 741.0307786 981.4169297 6540.859379 804.9133494 182856.709 154958.8717 115210.0473 75016.79301 65665.29471 51665.76516 63138.76036 2587.815194 7968.417946 19995.02954 10233.96499 26504.38468 56816.42762 31809.08581 15494.16066 Lysine 292936.017 280718.4217 10651238.17 11034878.95 11100612.58 4062331.746 5376370.685 5243790.178 788569.3046 993377.1815 954495.0917 295300.9892 336398.1879 345004.8523 450816.6369 269567.9983 265727.6555 1972074.136 1368244.4 1326900.364 294988.7409 274406.666 274469.6867 872088.4384 320215.2712 Methionine Sulfoxide 128320.2402 140674.9938 132649.9532 136983.8815 274133.0647 1487427.31 111288.267 198527.169 989390.1326 1267245.731 522611.444 307641.1656 283028.5832 238895.3448 151704.5303 454833.7384 356873.6928 576411.7779 203687.592 248970.8276 618705.7503 177818.2492 181516.4576 222942.2964 253095.5337 148924.6744 Propionyl-L-carnitine 214219.6338 221702.9678 298843.1555 289485.2879 7722107.249 7261136.581 6437065.623 173672.5717 171564.0765 187628.7675 210883.767 5289427.866 4590455.878 4508094.89 1565788.531 1105035.929 1019633.585 498881.9132 524770.5996 329040.9412 1572237.246 1713682.887 2588811.992 388887.143 562954.605 388772.6882 1450379.424 Sarcosine 280697.554 222997.9004 208971.3208 228053.6003 206473.2113 207707.5066 472914.0631 419795.2468 8125909.814 7199227.229 6373802.532 313629.4555 218093.1464 226941.3547 212714.4806 156572.7882 140919.2053 6885408.22 4977940.722 4881783.579 1539383.863 814432.3579 793327.8071 794268.9465 1031298.069 401534.688 1319368.33 2638164.257 12191188.52 1069097.753 1417729.651 782848.1144 4626529.792 143479.7418 Stachydrine hydrochloride 662168.5373 678221.5396 822191.182 5294234.692 5202084.533 6922981.808 14939442.72 12778148.24 12460491.59 1531821.702 1403213.552 2076298.649 16584272.29 15831004.76 15204172.6 1433974.773 1371090.804 1288849.076 10924823.07 9796359.079 163123301.4 131134755.1 118588915.2 1283541.681 954355.6487 1051568.666 13972059.33 11770676.28 11431498.53 679144.531 593638.4823 572710.5493 162320239.9 125844729.7 116774380.8 52727046.08 33854459.92 32688359.29 1743632.052 1452807.866 1444737.725 31832242.85 27938014.29 24532926.84 11051969.51 9324535.622 7915300.797 8149000.598 9927947.133 8797707.671 6815204.865 6134223.471 4559746.405 4528036.141 4613309.417 3960431.304 3317405.056 2966761.503 3008767.433 1804582.869 761368.5319 1019110.108 30695904.9 35057113.76 30805764.28 12903419.37 9914845.867 9823739.949 25956358.35 8538219.389 10935403.3 15790639.66 11079802.63 16922929.06 19841159.7 13640347.72 12949487.23 Threonine 766059.8003 1426303.856 3360271.558 7060736.546 7936183.381 1893673.248 4528851.038 5764832.293 549532.2169 1695543.594 2204858.705 916655.574 760752.2174 1082946.776 2206053.417 951749.3653 481293.5105 833289.3536 571661.6518 trans Hydroxyl proline 94899.70887 98829.67657 94502.21655 93666.32473 75911.8408 79023.51642 131156.4723 133300.8523 1010451.406 1488113.726 1462079.557 61521.15464 587591.318 824087.6962 765122.3327 185374.2717 174355.9949 188254.9546 67379.14796 196162.997 114350.7309 89963.61018 291531.6312 417759.5874 718686.4366 114703.5595 87284.81946 117983.8887 219437.9272 51702.80431 62167.50355 Trigonelline 3130555.402 2906642.059 3759955.592 23650411.83 21822668.12 27543304.27 41780960.59 37203791.53 33357138.92 5867534.254 5649271.593 7253487.587 54069588.25 53473760.5 51095726.03 3285549.996 2891441.254 2902558.339 56958367.73 51507584.28 305524688.9 303625823.5 266887425.3 1962156.289 1737954.593 1768074.613 10544223.35 8815915.268 8460141.116 1939318.979 1688553.969 1647135.104 282500823.6 252427744.7 245279555 137393111.1 92724929.96 93363542.35 1746062.227 1539497.777 1562641.579 17084465.01 14657712.46 12668760.48 25820419.5 22965738.43 20545062.09 4733368.897 5793906.081 4376941.698 5179717.283 3752942.752 2667337.066 3328914.788 4035900.291 3188165.118 3793674.895 3259130.574 3607969.898 958068.7695 72030044.75 93832688.25 89092237.44 34137742.67 39543954.89 31613524.23 71256914.03 4078690.15 5919888.546 15361403.65 10220000.39 16697737.17 15342530.45 9619031.375 7589525.874 Trimethylamine N-oxide 27607861.85 28323344.23 34484280.47 28143683.22 25640139.66 25230974.31 2874213.909 2652027.548 2593007.531 16897049.45 16331478.4 20709510.81 42663191.56 41531398.19 39641345.46 9119181.827 8501735.298 8198834.927 65610938.06 61927420.1 747208912.7 652023401.4 563632473.7 46294923.05 43312979.11 44438134.7 48633039.38 44072493.17 45082972.26 730328895.3 606760143 576550644.2 590805728.7 414235778.7 410471881.5 3382374.832 2992180.578 136477202.2 145489899.9 135439904 4137929.247 197901773.3 400993446.2 525891954.2 228593766.1 145053155.5 186045531.7 524225514.8 5018282.851 4947427.75 10063815.07 3870377.439 Turicine 713256.6504 6998340.558 6795890.9 8536762.864 19738997.51 16908662.01 16536257.31 2563218.339 2584417.644 3305415.703 23047416.55 22220216.65 21237692.97 1215376.594 1384235 1296584.93 19226730.73 17076203.13 372145758.8 344932952.3 295062197.6 3004769.005 2400668.99 2397083.368 19974951.99 15659354.54 14990346.16 248989293.4 211738874.2 205756752.4 82105712.37 55338677.94 53142605 29106174.92 23877789.32 18786520.03 23778946.8 24268072.66 20172975.56 9887227.429 12681505.31 11610428.88 10352698.09 9254478.09 7326539.627 7636342.122 6908041.079 7249812.765 2910714.091 41699481.48 50751343.37 34406457.27 17018991.64 14555323.4 18185717.68 49694760.8 11308145.93 15417219.86 15230014.74 9717327.325 15375935.79 20319009.27 15197482.38 14971830.8 Tyrosine 963871.5168 1130622.616 746975.0812 1323538.326 1595324.026 1789622.602 300823.3631 372873.6484 1866896.404 2052826.808 2284877.423 2877429.288 3213748.665 25174993.42 41251958.86 44324711.75 248695.4916 269096.9208 707003.3653 1491751.489 1607691.449 346325.7328 371870.4083 11119983.64 21027236.23 21056229.57 2707142.197 5998752.465 6315199.841 426279.1954 459042.7978 1680291.291 3006002.747 3528192.837 2820414.465 1248467.074 1530364.836 575786.3329 524043.0064 538784.6639 370954.1159 448194.1709 590015.427 293024.9745 430539.5464 889599.5797 286084.2257 6461207.494 5936482.288 4473339.122 1499612.054 830226.8455 1712669.529 4721368.242 573063.9732 379965.6615 809076.3298 1943764.007 1660867.238 2327535.365 1115674.905 788825.0703 Vitamin B3 7061434.636 5944361.793 5398689.03 4107026.46 3911106.036 3607321.705 6240540.303 5602457.951 113870048.2 111237079.7 99721770.99 96223725.91 82808060.65 79586340.75 20355766.94 15456182.94 14808130.51 21202797.7 20591953.52 16493328.96 33766355.56 55584168.42 50286243.83 4664476.511 3215040.33 23869817.17 Alanine 7396552.159 8543030.88 9581280.325 4570560.093 4733839.387 4987027.715 1391485.363 1575097.78 1711698.735 443378.1475 714041.913 371640.1542 151777.1181 285696.8851 1591563.662 1856969.147 1370687.761 931316.1726 805989.916 557329.8416 1253413.881 368635.4942 568357.7071 473937.219 Leucine 4932300.193 6112643.351 6586034.144 17744079.43 16404124.27 16165465.96 16065137.64 14959652 14055669.52 12583340.27 13815193.09 182325630.7 157086790.7 8242433.051 7573581.925 7743133.466 126925601.3 126060255 124581890.9 40704421.6 34009232.62 35932427.61 26442088.07 26785714.77 22341373.94 34416615.89 27850819.98 25329298.25 44765755.36 58210760.39 42545943.98 17214886.5 16373314.04 15222082.5 44780689.13 10062511.55 12203663.96 10883623.88 10993563.8 7082271.164 6405709.686 Methionine 114364.8553 120904.1538 497799.155 419219.3377 403063.2922 369055.4108 843294.6066 31150258.88 36744647.06 38693036.62 21827.43502 22652.71644 21048.79684 152120.3503 154943.9555 143952.1149 38627.64642 37909.4776 14924301.61 17148409.85 18381716.85 2803360.113 3103560.674 3050243.639 32895.846 36831.45545 437290.0559 406521.072 450484.2922 1283901.849 712707.9028 758438.2339 199334.1746 180278.3398 133252.6976 27119.90861 78099.89234 65829.15521 27015.32535 35659.00257 48600.85206 16032.47072 18112.00911 21630.90613 5691815.805 5515394.753 4561455.016 955338.9367 797397.5085 831906.1638 2703272.187 31702.91737 157949.8652 55168.25809 161998.2711 132367.2192 89828.15537 140411.4429 Proline 6613622.685 6700735.579 7028272.408 8455720.166 8469366.317 8299926.136 5972578.132 5774833.529 5792866.292 14379310.76 14262040.37 366386603.9 365651627.2 369387192.1 11565051.58 11518271.26 11447323.82 7324606.989 7185478.176 7126829.927 219867768.7 226638249.9 227290490.3 62918549.26 62825343.27 62843273.04 6168101.381 6000886.94 6037394.441 21844190.51 13490458.82 11539274.17 5489095.92 50980790.94 67286386.99 77839091.42 22877144.43 14591044.39 12559949.23 45332203.19 7593487.235 6097993.07 5706629.223 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name KEGG ID RT min. mz Emperical Formula CHEBI KEGGNAME 4-Hydroxyisoleucine C20802 8.34 148.097369 C6H13NO3 79079 (4S)-4-Hydroxy-L-isoleucine; Hydroxyisoleucine Acetyl-L-carnitine C02571 7.22 204.123584 C9H17NO4 57589 O-Acetylcarnitine; O-Acetyl-L-carnitine Adenine C00147 4.72 136.06232 C5H5N5 16708 Adenine; 6-Aminopurine Adenosine C00212 4.46 268.10458 C10H13N5O4 16335 Adenosine Adenosyl Homocysteine C00021 10.85 385.129416 C14H20N6O5S 16680 S-Adenosyl-L-homocysteine; S-Adenosylhomocysteine Adenosyl Methionine C00019 13.01 399.145066 C15H22N6O5S 15414 S-Adenosyl-L-methionine; S-Adenosylmethionine; AdoMet; SAM Arginine C00062 17.93 175.119501 C6H14N4O2 16467 L-Arginine; (S)-2-Amino-5-guanidinovaleric acid; L-Arg Arsenobetaine C19331 7.06 179.005326 C5H11AsO2 82392 Arsenobetaine Asparagine C00152 11.86 133.061318 C4H8N2O3 17196 L-Asparagine; 2-Aminosuccinamic acid Aspartic acid C00049 12.86 134.045334 C4H7NO4 17053 L-Aspartate; L-Aspartic acid; 2-Aminosuccinic acid; L-Asp beta-Alanine C00099 11.39 90.055504 C3H7NO2 16958 beta-Alanine; 3-Aminopropionic acid; 3-Aminopropanoate Glycine betaine C00719 7.86 118.086804 C5H11NO2 17750 Betaine; Trimethylaminoacetate; Glycine betaine; N,N,N-Trimethylglycine; Trimethylammonioacetate Butyryl-L-carnitine NA 4.47 232.154884 C11H21NO4 21949 NA Carnitine C00487 10.21 162.113019 C7H15NO3 17126 Carnitine; gamma-Trimethyl-hydroxybutyrobetaine; 3-Hydroxy-4-trimethylammoniobutanoate Chitobiose C01674 10.21 425.177138 C16H28N2O11 28681 Chitobiose; Diacetylchitobiose; N,N'-Diacetylchitobiose Creatine C00300 11.34 132.077302 C4H9N3O2 16919 Creatine; alpha-Methylguanidino acetic acid; Methylglycocyamine Cystathionine C02291 13.14 223.075255 C7H14N2O4S 17482 L-Cystathionine Cytosine C00380 7.41 112.051087 C4H5N3O 16040 Cytosine Deoxyadenosine C00559 3.44 252.109665 C10H13N5O3 17256 Deoxyadenosine; 2'-Deoxyadenosine Dimethylsulfonioacetate (DMS-Ac) C03392 8.39 121.032327 C4H9O2S 16471 Dimethylsulfonioacetate DMSP C04022 9.325 135.047977 C5H10O2S 16457 S,S-Dimethyl-beta-propiothetin; S-Dimethylsulfonium propionic acid; Dimethylpropiothetin; DMPT; DMSP Ectoine C06231 9.25 143.082053 C6H10N2O2 27592 Ectoine; L-Ectoine Glucosylglycerol C11546 10.1 255.107995 C9H18O8 82766 2-O-(alpha-D-Glucopyranosyl)glycerol; 2-O-alpha-D-Glucosylglycerol Glutamic acid C00025 12.41 148.060984 C5H9NO4 16015 L-Glutamate; L-Glutamic acid; L-Glutaminic acid; Glutamate Glutamine C00064 11.7 147.076968 C5H10N2O3 18050 L-Glutamine; L-2-Aminoglutaramic acid Glycine C00037 11.51 76.039854 C2H5NO2 15428 Glycine; Aminoacetic acid; Gly Gonyol 10.74 179.074191 C7H14O3S Guanine C00242 8.61 152.057235 C5H5N5O 16235 Guanine; 2-Amino-6-hydroxypurine Guanosine C00387 9.06 284.099495 C10H13N5O5 16750 Guanosine Homarine 6.19 138.055503 C7H7NO2 69061 Hypotaurine C00519 11.36 110.027576 C2H7NO2S 16668 Hypotaurine; 2-Aminoethanesulfinic acid Lysine C00047 17.5 147.113353 C6H14N2O2 18019 L-Lysine; Lysine acid; 2,6-Diaminohexanoic acid Methionine Sulfoxide C02989 9.73 166.053791 C5H11NO3S 17016 L-Methionine S-oxide Propionyl-L-carnitine C03017 5.63 218.139234 C10H19NO4 28867 O-Propanoylcarnitine; O-Propionylcarnitine Sarcosine C00213 10.6 90.055504 C3H7NO2 15611 Sarcosine; N-Methylglycine Stachydrine hydrochloride C10172 7.18 144.102454 C7H13NO2 35280 Stachydrine; Proline betaine; L-Proline betaine Threonine C00188 10.92 120.066069 C4H9NO3 16857 L-Threonine; 2-Amino-3-hydroxybutyric acid trans Hydroxyl proline C01157 10.07 132.066069 C5H9NO3 18095 Hydroxyproline; L-Hydroxyproline; trans-4-Hydroxy-L-proline Trigonelline C01004 8.36 138.055503 C7H7NO2 18123 N-Methylnicotinate; Trigonelline; Trigenelline; 1-Methylpyridinio-3-carboxylate; Betaine nicotinate; Caffearin; Gynesine Trimethylamine N-oxide C01104 6.59 76.076239 C3H9NO 15724 Trimethylamine N-oxide; (CH3)3NO Turicine C21513 8.48 160.097369 C7H13NO3 85534 Turicine; (+)-Turicine; cis-4-Hydroxy-D-proline betaine Tyrosine C00082 9.76 182.081719 C9H11NO3 17895 L-Tyrosine; (S)-3-(p-Hydroxyphenyl)alanine; (S)-2-Amino-3-(p-hydroxyphenyl)propionic acid; Tyrosine Vitamin B3 C00253 2.68 124.039854 C6H5NO2 15940 Nicotinate; Nicotinic acid; Niacin; 3-Pyridinecarboxylic acid Alanine C00041 11.3 90.055504 C3H7NO2 16977 L-Alanine; L-2-Aminopropionic acid; L-alpha-Alanine Leucine C00123 7.63 132.102454 C6H13NO2 15603 L-Leucine; 2-Amino-4-methylvaleric acid; (2S)-alpha-2-Amino-4-methylvaleric acid; (2S)-alpha-Leucine Methionine C00073 7.96 150.058876 C5H11NO2S 16811 L-Methionine; Methionine; L-2-Amino-4methylthiobutyric acid Proline C00148 9.49 116.071154 C5H9NO2 17203 L-Proline; 2-Pyrrolidinecarboxylic acid METABOLITES_END #END