#METABOLOMICS WORKBENCH nak01_20241205_191432 DATATRACK_ID:5431 STUDY_ID:ST003653 ANALYSIS_ID:AN006002 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 NEGATIVE 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 Allopurinol 84744.1 114213.9 82035.5 27949.2 77519.4 144085.2 127691.4 77081.1 91880.6 107605.8 45977 57358.7 17064.6 150798.3 319865.7 106228 123630.8 68285.7 54910.9 470727.2 86367 109652 23449.6 61165 3438937.6 5057095.2 176020.2 634334.6 150788.3 87684.7 34072.5 56927.6 1049371.4 113384.8 44682 403225.8 1545979.8 395586.7 338680.9 178339.1 127949.2 76577.7 5054.8 97161.1 63515 72149.3 92348.9 112806.3 74671.6 12375.9 2438299.6 3568430.8 1681474.2 5558.1 63780.9 166812.7 1032062.7 6258.9 155508.7 743253.1 356001.5 919500.1 37501.9 888690.2 940488.6 Amino Propanesulfonic Acid 13429.2 23725.4 21673.4 26243.5 111049.6 28218.4 35874 51409.5 26115.7 35563.1 3092393.4 6633725.6 7598419.2 249622.2 227788.3 167647.3 406569.1 393884.7 117107 450085.7 11601.3 15022.5 32603.7 206940.4 42587.6 135803.7 14003 67374.3 22374.5 34595.8 82797 DHPS 36702.14341 70731.61514 1972.590263 5893050.815 7986668.391 2167241.241 6942042.128 9811149.307 11557775.02 1553.057011 83154.28718 96204.36942 5293.716263 7352771.886 11396767.17 14912589.09 15789.26861 41554.79112 53761.02005 20672268.41 25916067.89 39268513.97 52082893.44 49497746.5 10952.42564 138991.8359 117827.7119 130068.1509 818049.1932 1078507.719 25599.71764 194524.7349 204682.0575 19518173.34 41034107.86 43845213.42 2300653.685 8384915.394 8273323.791 4159.550577 89117.44325 119412.0499 744755.0765 3245875.705 3777992.83 4885569.225 1610023.125 3899253.824 37783.27548 37860.75509 6061.128985 2365.221597 51039.37852 45522.8736 24974.67928 80914.39425 35164.90414 2256.585003 3190.34055 217108.7935 20399.12564 58531404.36 42640534.38 16272102.13 5250859.069 1687485.337 5454820.537 4956648.353 18630.48881 75165.78338 232199.5142 308195.8052 373768.113 103214.1313 11733.05401 Ethanesulfonic Acid 5987.94377 10708.77432 5303.552839 3509.06078 7576.67573 4809.581474 4221.757103 6468.782436 173092.2092 2910.777384 7561.9117 10279.63057 4269.55063 9200.007376 1469.187677 3629.61012 21289.08805 10446.38119 5987.415983 13782.77505 14038.0426 2928.864729 4849.520297 3746.549671 4373.890121 7610.901354 3710.930043 4616.690954 6422.897448 7993.675175 1450.492192 6504.530885 4424.395754 6564.761896 8544.377856 1617.553144 4557.909849 6032.736657 4932.677282 12896.00978 2082.893086 9710.373451 9612.253284 2756.122561 1291.722526 5880.579255 2574.530446 1626.628165 2845.666239 1410.568665 2122.65056 1203.730233 1010.346697 1726.909586 1986.690524 2200.428181 197083.0076 3211.259351 1771.290828 1697.306101 1557.180197 2691.097678 2656.028149 2290.904502 1926.639004 2716.880927 2184.947024 Ethyl Dihydroxybenzoate 23327.2 55553 12129.4 27219.9 29640.8 21585.9 28689.3 99826.8 18924.4 57736.9 17142.1 28833.6 43241.2 36556.3 19147.4 42268.3 31323.4 64510.1 14620.4 43601.4 30919.4 11023.2 28467.7 34185.7 14848.3 19083.7 35274.6 6209.3 19538.8 21153.5 12966.3 14414.2 27573.1 22710.8 49496 40173.5 63220.2 9945.6 18843.8 26198.5 20880 29628.7 43202.5 13443.5 28191.8 26316.4 7829.1 26437.8 15465.6 34902.3 6528.4 2455.2 124174.8 3961.4 17422.4 35270.1 4114.1 32293.9 16530.1 2522.3 7088.7 2992.2 13275 32707.9 94089 4193.1 20860.1 3333.4 7175.3 3270.5 31415.7 2920.6 Fructose 6 phosphate 10908.41918 9802.033694 2129.288865 10424.32141 7803.792406 2690.510982 2667.412454 3197.793455 670139.7924 433224.7904 385440.294 2591.177004 352949.867 360942.7192 32066.7216 10971.07563 5114.022225 3164.985605 3160.23183 2678.935975 106662.6972 157631.9719 73523.97939 3286.636527 3114.594286 3923.733298 3561.385144 3186.673952 3023.73484 Gluconic Acid 5540.23825 68706.84649 75493.31995 342428.1806 940188.3609 7048.819961 43659.73686 80347.50918 431897.6979 7317.360322 122154.0338 72369.40734 2015662.602 12320380.68 4944767.769 1189.972519 5749.41495 5959.773597 562146.2722 2871862.055 20722240.28 18556.12348 247962.3985 245901.0452 1407.525095 1809.03688 29664.34597 18316.55579 82976.67543 58558.56682 104448.3703 2275.904217 2593.11289 3908.622455 18198.27783 5564.746021 8414.22285 1890.227333 12190.17421 384826.3353 586470.8188 703334.3617 1534.620371 4888.527192 1300.688943 1817.555385 Glucose 1 phosphate 8170.451487 29112.94492 52082.30988 8201.039843 9311.495631 32781.31282 10714.65338 8965.593827 816891.5414 4016962.468 1666184.126 2869.255726 109520.1586 1291080.567 6634586.958 17646.22141 118791.8641 93370.66001 3460.869858 6033.222509 4681.908304 2463.73295 3546.750849 58804.61448 96664.69448 73934.96383 7727.896425 1301.693163 3500.957581 1486.984643 2556.469526 1973.596937 Glucose 6 phosphate 8170.451487 29939.72795 52082.30988 4430.816932 10357.09248 32781.31282 10714.65338 8005.176938 816891.5414 4016962.468 1666184.126 2869.255726 1291080.567 2595073.506 17646.22141 118791.8641 93370.66001 3460.869858 6033.222509 3600.33143 5303.831783 3480.540975 3546.750849 58804.61448 114323.8545 73934.96383 7727.896425 1301.693163 3500.957581 1486.984643 4273.704106 2556.469526 1973.596937 glycerol 3 phosphate 57065.1087 47942.46967 72796.21073 3121.287601 2139.551952 2864.812711 2069.664635 2352.239614 1746.860808 5867.253255 1969.152676 2927.019727 1226.955438 40558.36484 22841.69189 1329374.527 474990.8092 345720.6233 1434.834395 17074.4474 23081.70076 8345.244051 2034.795768 3418.074583 1803224.972 2761146.852 2136552.736 192546.9687 160511.3856 2096.944672 72382.27435 78708.48586 45413.4714 222220.5058 52510.51478 278654.0711 24017.29061 39237.17835 4297.785537 5305.112321 3109.903905 2719.733305 10255.68554 2089537.905 4130088.068 2072438.927 212697.184 128441.7947 52249.15025 347112.6865 2685.503607 6176.401733 46414.12149 2527.956449 13750.61112 2755.572355 3150.148738 9697.811258 Inosine 3128.949046 101462.7226 43472.08853 78081.75138 157597.1425 84995.89419 79136.37172 2373.217669 3620.151751 8780.114574 138865.3138 162122.3019 130896.3804 2478.994432 376034.282 361014.4264 11582833.28 15369090.71 17120749.46 6750.631602 12246.57307 128701.4371 127284.269 129235.7204 14177.96708 8210.806251 15582.49513 5304482.298 6746406.168 6625002.456 2832424.712 3027412.605 2914417.958 2812.465103 3100.57154 679889.0324 626157.924 620707.7329 774947.4541 376030.817 475764.6042 217923.2815 139340.6734 93399.42807 6641.644551 73460.14496 9492.559365 4202.80377 2458.785497 2473.956192 4988751.8 6517879.311 6309908.236 758555.6021 370613.37 449213.8655 3222213.713 7035.176425 14284.70621 234744.7722 226600.2422 407617.8512 369494.725 201353.2803 137574.0181 Ketoglutaric Acid 36026.35874 25040.10567 33337.14236 54472.85926 43069.68702 39153.73668 3074.932336 73087.59027 54681.88214 51465.15382 59916.15472 55980.55304 1267165.825 1003887.059 830520.266 14167.61178 22666.94635 19484.047 55459.85396 35740.90783 47810.52067 2967.03789 679919.7073 579690.0967 484188.2212 122404.5376 96283.4105 86475.64883 52663.51781 40470.73159 37181.53924 152102.3235 139503.3307 158201.7289 160877.4629 91521.86742 121846.7761 57078.04785 95816.39726 82100.24337 32433.65938 37297.54917 76644.65996 48882.48257 36255.50517 59124.69909 41552.03143 6058.458815 55118.11382 14566.19277 16998.44683 60012.05924 597163.5748 474973.1173 388242.5974 77692.72098 103898.0123 127456.3887 127350.4223 21774.8267 34201.20777 37812.45209 53225.35132 59223.45427 31772.16222 117060.3156 70058.4637 L-Pyroglutamic acid 356279.8005 501401.9881 740165.3951 30542.65554 406578.24 824594.7421 818633.5325 163072.0763 3462.473046 16890.29895 17169.43045 52228.37956 59414.92274 103090.7368 79709.41692 29595927.55 575185.1517 849088.1789 87999.2029 325817.0019 400340.5228 39036.63672 17971.08934 17670549.79 11833328.98 5450989.869 2987857.254 3371482.598 474554.2196 113398.0121 63496.55442 910086.037 11504761.01 2044424.156 6681601.314 815264.3372 606355.2404 1291445.814 946049.5679 451159.3398 3752636.158 900504.7059 3119975.965 8078237.911 1066852.835 332457.0818 475420.2671 349324.986 1148112.485 10981248.08 13960689.74 6999968.979 3762541.63 1787107.983 2315275.65 10378971.3 331627.4524 378814.6893 3010623.898 4981155.004 2290249.736 527123.4175 Malic Acid 278827.2155 257809.0973 237367.6744 348513.5115 360538.1723 412852.5585 921123.9114 1027609.474 1069025.782 151663.2064 140368.0138 139593.5441 305186.8642 274630.8769 290502.2083 997047.0618 1124800.333 1251274.65 274125.0749 342081.3347 323496.5514 730470.1711 722578.9914 5521250.8 4057626.302 3483378.702 333915.3435 308785.7791 280311.6139 495633.1998 559772.1664 583237.251 202334.7715 192830.1061 231425.8124 5479797.921 5025308.343 5043323.783 1180659.285 1318826.24 1176118.727 379953.4648 353390.3854 364517.5282 929622.7767 1149342.903 1163621.025 1616592.013 785079.2512 750839.5388 466584.2714 455360.2101 351315.2164 327962.4487 267417.2153 720596.4193 453635.331 319620.6833 747766.9152 396653.1228 243625.1241 293155.2624 274006.1371 778379.9496 276559.726 3299448.929 1955880.597 1210642.444 789982.88 690422.1396 535519.4543 970108.022 298525.998 367542.365 676886.6241 627925.6405 669062.0633 488195.6874 410320.4133 472764.5812 N-acetyltaurine 32699.32114 5551.668028 51164.32983 3102.193865 2452.393242 2574.418579 4563.041272 2385.930986 122486.4671 90244.99465 2943466.573 2269202.165 2317933.24 824779.266 574251.6829 565676.5526 240241.9923 104220.1201 101309.1686 3758.165872 3751.585658 37135.34785 7592.820263 2276.555312 1787337.841 1279642.155 1326961.327 121088.3695 57409.35718 67039.91208 142816.0673 2845.949731 15385.18975 2883.677011 Orotic Acid 5477.057852 4512.445637 3972.688008 2410.063818 1391.048069 3001.73249 1384.761447 4154.15333 2491.418399 359.4940535 4051.965472 2474.730211 2272.058194 3147.735031 6009.442359 1752.854456 3030.685805 2353.985523 4784.191471 2014.785451 3587.883748 18477.98632 3938.904142 3147.861172 3527.611795 2863.672065 2255.179687 4627.881386 2179.858191 2235.03562 15204.36543 2915.827065 2977.761149 6093.313209 6840.200416 4569.317615 6083.938237 4283.126432 2516.673985 5202.65724 4533.100504 8749.017478 2845.130454 1552.036856 3332.344658 1509.6815 9503.912768 4551.242607 5589.365022 7356.363412 2475.628891 2909.071417 889.9981984 6883.208008 3364.337812 2824.945201 2915.694589 2590.863841 2920.911379 5401.317397 16864.78967 2987.751817 14143.02926 3297.688999 3064.359133 2537.855075 Oxalic Acid 519408.6073 1324515.518 334625.3877 4578027.561 835610.0825 1775707.977 573698.8343 1705085.936 6603488.658 1737821.763 8602502.269 672722.9123 1199596.547 825170.8527 516412.5769 606777.5829 1055530.186 3480085.107 222831.4443 1180942.089 1849105.068 1683236.468 982614.2441 854234.0193 4632779.094 1667568.28 378756.7441 1927511.012 1885190.645 95064.75821 229726.9079 269788.6634 232523.6899 1433669.09 3221003.457 1444397.387 9291064.93 171945.434 1408718.639 1223266.225 136015.9044 516624.2841 756129.1118 106549.0468 295516.0963 337274.4016 267659.7216 307684.6099 269685.1003 196566.2235 226672.8795 272636.2695 308635.1109 285798.506 642048.6381 841108.5987 472262.9578 338664.706 302309.4045 235217.2723 214936.1925 1243957.968 423890.887 921447.1058 677518.7928 1112122.538 611460.8072 186465.919 1987204.319 202541.8662 483678.6238 166758.4492 199022.46 439298.4378 230685.5425 154549.2609 308201.9548 203245.6779 Salicylic Acid 64407.19691 64582.14315 43793.16692 85094.45158 86554.085 62362.53973 57907.64961 81666.46808 80036.36475 49122.88762 64448.26282 65000.03213 57174.66765 62532.07128 33434.056 51363.85074 53351.269 59776.51684 76732.55082 84132.377 91730.13964 79700.20089 84366.6234 66135.69807 91709.92749 89389.74552 83028.83563 101030.0349 116008.6635 43369.14935 55620.05722 58688.0852 36653.84624 62622.00295 76910.67453 46211.66523 63871.59044 61174.8317 44445.76335 55372.66923 60655.24853 55001.07212 68747.64548 73589.70538 51722.15516 81815.20878 84430.37775 594966.3036 68662.10188 40329.53516 68592.39004 59644.16384 90927.1646 74892.13395 34358.82135 63504.77906 111970.5896 85187.19149 38680.88062 63697.55437 46183.0546 45045.48205 54866.44546 39681.23825 68378.99954 45714.75894 56891.99603 64393.32067 73780.73906 71432.70127 45807.37105 63272.26151 51928.23185 60369.45128 66959.83764 80700.02036 53631.25462 39405.89224 49123.90784 41889.90692 Sulfanilic Acid 15309.7 9852.8 19096.8 23605.9 41738.7 108490.3 1806258 21439.1 2057812.4 5195.9 24963.7 48722 8844.7 10507.6 46065.7 1323941 47715.8 9749.2 4697 52418 656400.8 758986.2 3543274.4 4065520 4220401.2 24611.9 22647.2 17028.1 23867.4 26832.8 2121344.4 2310088.2 2396224 614120.9 28670.7 2852.8 5167.4 83818.2 5040.6 7161.7 718986.5 708788.2 9776.9 16745.4 33041.2 31216.8 21695.4 23176.4 17280 2871 599834 6530.4 469346.1 6073.1 190143.9 145469.3 14385 20505.1 5327.3 Taurine 44879.60773 58098.36356 53695.29059 1353848.737 1732250.053 1612647.415 1427888.477 1658624.895 1844831.82 25192.29162 14284.47266 30019.92616 430177.9563 468941.154 472012.3243 2008640.049 2194581.564 2353760.246 73371.32559 81331.79058 113804.364 5087475.795 6407402.255 78919816.05 68479895.5 71624195.13 283103.7545 233422.5814 223797.9734 1349793.607 1471039.049 1446745.381 413631.9921 401240.8504 464944.4222 48245779.96 39371799.66 43644823.61 12735157.17 12333590.89 13140508.54 171574.9056 157018.2525 172583.2615 1506033.259 1525987.226 1538132.284 2738318.038 3041613.128 1786866.909 511169.663 473566.533 405392.0084 271300.7961 318909.5403 344598.6776 117815.5027 183278.5767 213974.2584 161359.5009 115409.2033 98953.57861 33911.70138 47942.97382 12748.95677 13615610.33 13117836.98 12125724.38 4419434.747 4599166.958 3660766.866 9609039.799 293458.0259 713860.6593 1553963.266 1200857.021 1548668.719 1683326.044 1189061.469 750620.3227 Thymidine 136995.088 145440.576 63477.48259 59908.11329 37802.5434 32083.97778 33500.37263 36060.56863 34511.11077 28767.68563 27648.36341 1051598.344 1175667.106 1220838.764 145559.536 207352.9256 292628.5883 245398.9179 16306.87637 126169.5076 653779.8942 695121.4189 661729.545 170705.7089 359345.6059 265107.7701 26369.50583 43477.97045 290683.3225 466991.0325 59306.94296 192396.2494 127929.4236 158221.9545 125410.6086 77673.88632 27985.39435 37318.54238 3114.123875 403911.8951 554510.3957 522568.3529 153962.3924 51922.71836 125507.3382 235500.1827 54094.46375 34222.38585 172809.0532 118505.7334 187535.7179 257363.2259 88200.60629 102968.7517 Thymine 288481.9524 986850.263 840374.2144 917491.9502 158155.783 1200785.369 1079060.677 6988059.51 6530438.432 5939132.063 56531.95363 1069319.706 1398333.284 1089468.288 152316.5674 3751363.287 3979043.169 3676776.284 1122090.987 1333801.146 1679186.957 139012.2597 1751165.569 1868037.776 1802174.623 732150.7201 705517.503 901185.9446 896330.1682 944718.1231 934541.391 527848.4179 654799.9207 518173.9068 288950.2073 415290.807 494791.3533 344700.291 274269.9788 98637.80521 176810.8588 2856111.222 1870148.247 3166835.857 503107.6574 506130.848 373729.177 1561649.633 724443.286 360298.1337 465606.6592 473289.5547 442842.373 693541.1403 592824.5427 531547.4086 UDP-glucosamine 8666.308377 2954.505407 2792.816644 45338.69934 44856.61964 34979.96904 1088.986534 47676.54294 42005.8372 43773.37196 2904.967802 2547.190634 55322.55662 47386.34462 724860.0245 794561.9069 849517.9447 8972.317295 14443.53473 4434.005992 449840.4634 487392.2563 536388.4996 182384.9339 170145.9954 160661.9895 48900.91307 39366.5081 49653.93684 55957.97148 73671.42228 47607.47825 10092.17594 16080.67279 21921.29568 3270.95198 6154.200829 4695.177281 3229.998361 8555.619697 10432.36892 4734.756763 3366.780496 99790.70328 152076.8479 190812.5465 73106.50096 47297.34445 48663.41761 158342.9058 2933.756581 12983.50031 4350.556733 20624.28581 23821.43859 26051.47612 21498.19176 Uridine 2937.683805 4202.666387 5658.35826 3318.680382 4114.037605 10738.38173 15101.77176 2528.804946 3065.980973 5825.537446 2487.633613 6245.86074 2899.304305 15280.1805 11880.76549 11034.82363 2017693.875 1484426.65 1587576.308 2762.374217 4774.447771 24372.32801 30494.65029 22407.00742 5103.537565 3294.414307 1317159.733 763629.0873 777925.1681 225647.252 175483.6062 2020.316 2871.665655 5955.837113 10441.03139 30090.93671 29946.64089 207020.2393 52132.6093 191148.2149 34320.91549 52575.14475 37540.61941 14464.55645 17543.62858 6408.033917 2679.429837 8019.340637 3802.417522 9942.460096 2639.877277 693149.9422 638343.0139 902216.5968 144994.6629 8686.337617 53216.51205 312082.2338 5719.036213 4191.155942 4028.152496 9450.708217 24600.4212 4248.855704 7845.781692 AMP 74430.63177 65496.47024 95309.26889 472933.9436 462169.0207 454598.4192 362927.2453 398663.8139 348844.0278 558483.071 629747.203 7178883.74 7401795.418 7170747.846 50164.36414 41356.79752 45105.67425 4264815.57 4839234.716 4605396.591 1518817.362 1617699.08 1462992.637 440266.0113 415880.921 432727.9036 255540.3968 420512.775 208187.0957 23045.28625 19341.56881 628584.8507 321975.3622 331851.6647 111466.4362 295312.0015 94331.32938 1059388.287 55293.80304 220959.9311 182365.9053 208730.0859 87185.34703 238512.991 238613.977 Cysteic Acid 1756.186982 5405.312699 7285.270452 3325.850208 28239.30146 38738.7555 29066.9227 1664.621429 2191.996499 26598.88827 37965.19066 39822.10646 51422.09771 48821.98946 853608.543 844479.4569 801095.7828 3023.027766 2201.784977 11462.46218 2939.260253 9299.175529 3587.013899 3803.013405 488986.8455 510687.9225 489822.5375 215395.3309 194633.5948 206327.5223 2134.264265 14912.61352 14434.3758 29086.67107 52967.42172 38113.6341 39511.83849 4932.152582 3153.334715 2419.815411 1887.440514 2426.528518 3373.447081 143981.2171 155163.5367 113414.7793 11622.68149 17607.64071 29801.48062 57305.38361 3202.394893 4876.963201 3128.374449 Isethionic Acid 581010.1926 877396.899 667974.33 23607319.93 78179288.8 20239398.94 26460349.64 27978926.74 58880595.67 520618.4976 13160175.92 613478.1324 1201479.01 1817323.248 1330722.88 14537080.51 14244326.75 14685694.86 763558.0445 15132045.63 780236.8439 188689621.5 218197055.2 118938916.3 210812325.4 815241329.4 1178652.784 915050.7869 1360488.513 381919.3069 752653.0376 660339.1241 985125.6872 1014604.942 1295169.102 77492580.74 126447891 79877612.29 29849095.03 37243061.33 18729012.08 261480.9498 413467.2969 558607.811 721334.3639 464648.2728 767986.4991 23461012.38 25477132.11 34171967.3 393246.1953 506489.713 775329.8115 457147.4127 517709.7818 292156.6617 426732.5437 741146.6575 356399.0505 236036.5933 202963.4012 272808.4585 745577.9067 854510.2387 1232436.158 104396213.5 232815343 157172104 18042842.36 30109211.27 17125803.44 82016350.86 409279.3028 404946.5178 1515957.556 3910165.422 1737085.81 1003618.354 604724.8763 691017.5587 Succinic Acid 627190.4402 600990.5441 681509.7857 586683.4957 603729.1809 594673.0289 693690.3078 629116.5692 697519.2822 635420.3814 610266.0489 619324.5363 533923.9248 506410.7882 534253.7595 695494.1476 719221.7648 716235.0425 605124.2987 604497.1765 579701.0696 989545.3244 995661.9653 2174886.251 2258772.819 2418891.636 827586.7755 807979.4513 765034.9553 768953.5228 773209.3696 840226.9316 429383.9085 428157.7923 480408.1641 1552332.359 1595944.246 1648342.248 832223.5546 882702.2608 853991.6445 516327.6762 512099.7942 496642.1633 1115652.393 1155658.466 1198735.293 856210.3097 840499.5729 483015.1217 784439.8256 787784.7103 566941.2605 573956.2568 416412.181 585640.6127 883163.9014 648177.7112 422303.1124 771753.3661 563654.482 348027.6229 393262.132 315184.1765 389083.9588 749842.5322 866317.2858 987691.3176 561574.9438 923417.8295 500067.3457 657369.9889 449697.0338 956391.0252 1050358.312 777964.5084 711274.3436 675005.7889 639115.4506 761829.019 Sucrose 186054.2401 204346.3333 184680.0954 215880.9007 213748.6663 216296.3878 584296.6279 580695.314 580684.0975 18048.02573 22456.84432 29277.34362 47330.83187 49783.75271 48508.59129 1384346.012 1387650.162 1391823.001 440027.3292 441837.3928 425239.5489 180850.3829 187138.5849 5733222.116 5753792.237 5743646.568 149674.2214 155795.6853 136841.6309 37936.07687 39305.0343 47166.17575 46632.60502 51848.59984 62740.50142 2615531.53 2721919.183 2602763.991 1373975.582 1431314.619 1426723.282 111742.9346 126037.7376 123346.9656 3386317.434 3356648.14 3281869.146 3545091.614 2759846.172 2797193.359 663284.4747 970548.2279 916775.3052 297197.3983 143113.8955 590605.7693 143692.5439 794747.5194 1426513.587 129543.7852 141139.5742 146187.3242 25460.05561 98722.2042 77857.29783 3040552.667 3748523.781 2818778.15 1450491.303 1267209.593 1024132.485 461073.131 435940.5042 417953.8038 1947355.546 2074402.204 2656842.831 1983721.806 1775936.746 2184573.169 Sulfolactic Acid 20272.20922 27556.51912 20226.41582 52417.31871 60420.59891 52287.88359 73280.36497 69064.08846 82191.16437 110771.6466 108881.7166 734513.3251 740527.5647 730059.8852 3073.25355 13768.52854 15897.64355 19079.01788 5357.418849 5174.83677 443236.4678 411107.7395 407071.1849 103667.2051 121046.1441 88825.76988 3566.122553 64869.11583 73882.0453 49007.67944 96525.45201 52246.36784 66604.54048 17469.53494 32401.49825 5768.365567 6242.742486 6432.193503 6230.291773 4324.744228 10864.98994 1955.252265 3495.450206 4022.962038 4347.482062 8435.996345 3613.051779 235869.7364 292975.141 119628.5457 50441.48663 46891.92916 37074.18942 130053.4716 11708.40888 19156.71495 14602.64848 12548.77801 11811.32744 5101.314429 20266.66217 Trehalose 150258.0534 149950.0304 148952.3303 114522.5849 119205.7175 123499.5782 967422.0503 936722.2708 1134993.758 324399.7623 338650.6916 314409.6917 874771.0663 868360.2817 904960.6855 143856.5105 155821.125 145167.0746 138963.4854 139875.9439 154565.5763 162488.0515 150263.5839 164124.037 292622.0697 118270.167 118571.251 324902.0251 307843.4531 358962.9087 398823.4764 235550.5419 219050.6249 207717.3309 222613.0647 164561.8334 119993.109 125542.3249 164101.539 127168.7814 285776.266 113667.534 447185.1565 475070.0228 369918.647 194828.0698 134019.5188 175875.1153 121544.2801 273006.3469 305177.4207 107990.5159 153427.9596 125166.0363 211601.3088 173007.8054 171235.7336 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name KEGG ID RT min. mz Emperical Formula CHEBI KEGGNAME Allopurinol 4.16 135.030686 C5H4N4O 40279 Amino Propanesulfonic Acid C03349 11.49 138.022491 C3H9NO3S 3-Aminopropanesulfonate; 3-Amino-1-propanesulfonic acid DHPS C19675 10.67 155.001422 C3H8O5S 60997 (R)-2,3-Dihydroxypropane-1-sulfonate Ethanesulfonic Acid 4.29 108.995942 C2H6O3S 42465 Ethyl Dihydroxybenzoate 2.08 181.050085 C9H10O4 132364 Fructose 6 phosphate C00085 13.51 259.021897 C6H13O9P 15946 D-Fructose 6-phosphate; D-Fructose 6-phosphoric acid; Neuberg ester Gluconic Acid C00257 10.79 195.05048 C6H12O7 33198 D-Gluconic acid; D-Gluconate; D-gluco-Hexonic acid Glucose 1 phosphate C00103 13.45 259.021897 C6H13O9P 29042 D-Glucose 1-phosphate; alpha-D-Glucose 1-phosphate; Cori ester; D-Glucose alpha-1-phosphate Glucose 6 phosphate C00092 14.12 259.021897 C6H13O9P 17665 D-Glucose 6-phosphate; Glucose 6-phosphate; Robison ester glycerol 3 phosphate C00093 13.065 171.005853 C3H9O6P 15978 sn-Glycerol 3-phosphate; Glycerophosphoric acid; D-Glycerol 1-phosphate Inosine C00294 7.57 267.072946 C10H12N4O5 17596 Inosine Ketoglutaric Acid C00026 10.845 145.0137 C5H6O5 30915 2-Oxoglutarate; Oxoglutaric acid; 2-Ketoglutaric acid; alpha-Ketoglutaric acid L-Pyroglutamic acid C01879 7.97 128.034768 C5H7NO3 16010 5-Oxoproline; Pidolic acid; Pyroglutamic acid; 5-Pyrrolidone-2-carboxylic acid; Pyroglutamate; 5-Oxo-L-proline; L-Pyroglutamic acid; L-5-Pyrrolidone-2-carboxylic acid Malic Acid C00149 11.97 133.0137 C4H6O5 6650 (S)-Malate; L-Malate; L-Apple acid; L-Malic acid; L-2-Hydroxybutanedioic acid; Malate; Malic acid N-acetyltaurine 3.74 166.017406 C4H9NO4S 84415 Orotic Acid C00295 4.195 155.009283 C5H4N2O4 16742 Orotate; Orotic acid; Uracil-6-carboxylic acid Oxalic Acid C00209 13.235 88.987485 C2H2O4 16995 Oxalate; Oxalic acid; Ethanedioic acid Salicylic Acid C00805 2.2 137.02387 C7H6O3 30762 Salicylate; o-Hydroxybenzoic acid; Salicylic acid Sulfanilic Acid C06335 7.23 172.006841 C6H7NO3S 20313 4-Aminobenzenesulfonate; 4-Aminobenzenesulfonic acid; p-Aminobenzenesulfonic acid; Sulfanilic acid Taurine C00245 11.13 124.006841 C2H7NO3S 15891 Taurine; 2-Aminoethanesulfonic acid; Aminoethylsulfonic acid Thymidine C00214 3.27 241.082448 C10H14N2O5 17748 Thymidine; Deoxythymidine Thymine C00178 3.02 125.035103 C5H6N2O2 17821 Thymine; 5-Methyluracil UDP-glucosamine C00043 12.75 606.073753 C17H27N3O17P2 16264 UDP-N-acetyl-alpha-D-glucosamine; UDP-N-acetyl-D-glucosamine; UDP-N-acetylglucosamine Uridine C00299 6.02 243.061713 C9H12N2O6 16704 Uridine AMP C00020 11.585 346.055262 C10H14N5O7P 16027 AMP; Adenosine 5'-monophosphate; Adenylic acid; Adenylate; 5'-AMP; 5'-Adenylic acid; 5'-Adenosine monophosphate; Adenosine 5'-phosphate Cysteic Acid C00506 12.15 167.996671 C3H7NO5S 17285 L-Cysteate; L-Cysteic acid; 3-Sulfoalanine; 2-Amino-3-sulfopropionic acid Isethionic Acid C05123 7.2 124.990857 C2H6O4S 1157 2-Hydroxyethanesulfonate; 2-Hydroxyethanesulfonic acid; 2-Hydroxyethane-1-sulfonic acid; Isethionic acid; Isethionate Succinic Acid C00042 11.9 117.018785 C4H6O4 15741 Succinate; Succinic acid; Butanedionic acid; Ethylenesuccinic acid Sucrose C00089 11.93 341.10839 C12H22O11 17992 Sucrose; Cane sugar; Saccharose; 1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside Sulfolactic Acid C16069 13.275 168.980687 C3H6O6S 50519 3-Sulfolactate Trehalose C01083 13 341.10839 C12H22O11 16551 alpha,alpha-Trehalose; alpha,alpha'-Trehalose; Trehalose METABOLITES_END #END