#METABOLOMICS WORKBENCH cnoecker_20230321_182536 DATATRACK_ID:3803 STUDY_ID:ST002515 ANALYSIS_ID:AN004142 VERSION 1 CREATED_ON 02-08-2024 #PROJECT PR:PROJECT_TITLE Systems biology illuminates the alternative metabolic niche of the human gut PR:PROJECT_TITLE bacterium Eggerthella lenta PR:PROJECT_TYPE Untargeted LC-MS PR:PROJECT_SUMMARY Human gut bacteria perform diverse metabolic functions with consequences for PR:PROJECT_SUMMARY host health. The prevalent and disease-linked Actinobacterium Eggerthella lenta PR:PROJECT_SUMMARY performs several unusual chemical transformations, but it does not metabolize PR:PROJECT_SUMMARY sugars and its core growth strategy remains unclear. To obtain a comprehensive PR:PROJECT_SUMMARY view of the metabolic network of E. lenta, we generated several complementary PR:PROJECT_SUMMARY resources: defined culture media, metabolomics profiles of strain isolates, and PR:PROJECT_SUMMARY a curated genome-scale metabolic reconstruction. Stable isotope-resolved PR:PROJECT_SUMMARY metabolomics revealed that E. lenta uses acetate as a key carbon source while PR:PROJECT_SUMMARY catabolizing arginine to generate ATP, traits which could be recapitulated in PR:PROJECT_SUMMARY silico by our updated metabolic model. We compared these in vitro findings with PR:PROJECT_SUMMARY metabolite shifts observed in E. lenta-colonized gnotobiotic mice, identifying PR:PROJECT_SUMMARY shared signatures across environments and highlighting catabolism of the host PR:PROJECT_SUMMARY signaling metabolite agmatine as an alternative energy pathway. Together, our PR:PROJECT_SUMMARY results elucidate a distinctive metabolic niche filled by E. lenta in the gut PR:PROJECT_SUMMARY ecosystem. PR:INSTITUTE University of California, San Francisco PR:DEPARTMENT Microbiology and Immunology PR:LABORATORY Peter Turnbaugh PR:LAST_NAME Noecker PR:FIRST_NAME Cecilia PR:ADDRESS 513 Parnassus Ave HSW1501, San Francisco, CA 94143 PR:EMAIL cecilia.noecker@ucsf.edu PR:PHONE 415-502-3264 PR:FUNDING_SOURCE This work was supported by the National Institutes of Health (2R01HL122593; PR:FUNDING_SOURCE 1R01AT011117; 1R01DK114034 to P.J.T., F32GM140808 to C.N.). P.J.T. is a Chan PR:FUNDING_SOURCE Zuckerberg Biohub Investigator and held an Investigators in the Pathogenesis of PR:FUNDING_SOURCE Infectious Disease Award from the Burroughs Wellcome Fund. PR:PUBLICATIONS https://doi.org/10.1101/2022.09.19.508335 PR:DOI http://dx.doi.org/10.21228/M89B04 #STUDY ST:STUDY_TITLE Time course 2: Acetate quantification from growth of Eggerthella lenta in ST:STUDY_TITLE defined media ST:STUDY_TYPE Untargeted LC-MS ST:STUDY_SUMMARY This dataset contains targeted metabolomics analysis of carboxylic acids in ST:STUDY_SUMMARY supernatants from 3 strains of Eggerthella lenta grown in defined EDM1 media ST:STUDY_SUMMARY with varying acetate concentrations. ST:INSTITUTE University of California, San Francisco ST:LAST_NAME Noecker ST:FIRST_NAME Cecilia ST:ADDRESS 513 Parnassus Ave HSW1501, San Francisco, CA 94143 ST:EMAIL cecilia.noecker@ucsf.edu ST:PHONE 415-502-3264 ST:SUBMIT_DATE 2023-03-21 #SUBJECT SU:SUBJECT_TYPE Bacteria SU:SUBJECT_SPECIES Eggerthella lenta SU:TAXONOMY_ID 84112 SU:GENOTYPE_STRAIN DSM 2243, Valencia, AB8n2 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - P1-B03 Strain:2243 | AcetateConc:0 | TimePoint:TP4 | Time:28.5 RAW_FILE_NAME=P1-B03.d; RAW_FILE_NAME=P1-B03.mzML; MS_Sample=S.B3; Replicate=3; well=B3; OD600=0.142; Row=B; Column=3 SUBJECT_SAMPLE_FACTORS - P1-E02 Strain:2243 | AcetateConc:0 | TimePoint:TP4 | Time:28.5 RAW_FILE_NAME=P1-E02.d; RAW_FILE_NAME=P1-E02.mzML; MS_Sample=S.E2; Replicate=1; well=E2; OD600=0.162; Row=E; Column=2 SUBJECT_SAMPLE_FACTORS - P1-E05 Strain:2243 | AcetateConc:0 | TimePoint:TP4 | Time:28.5 RAW_FILE_NAME=P1-E05.d; RAW_FILE_NAME=P1-E05.mzML; MS_Sample=S.E5; Replicate=2; well=E5; OD600=0.167; Row=E; Column=5 SUBJECT_SAMPLE_FACTORS - P1-E03 Strain:2243 | AcetateConc:0 | TimePoint:TP7 | Time:47.5 RAW_FILE_NAME=P1-E03.d; RAW_FILE_NAME=P1-E03.mzML; MS_Sample=S.E3; Replicate=3; well=E3; OD600=0.299; Row=E; Column=3 SUBJECT_SAMPLE_FACTORS - P1-E07 Strain:2243 | AcetateConc:0 | TimePoint:TP7 | Time:47.5 RAW_FILE_NAME=P1-E07.d; RAW_FILE_NAME=P1-E07.mzML; MS_Sample=S.E7; Replicate=1; well=E7; OD600=0.396; Row=E; Column=7 SUBJECT_SAMPLE_FACTORS - P1-E09 Strain:2243 | AcetateConc:0 | TimePoint:TP7 | Time:47.5 RAW_FILE_NAME=P1-E09.d; RAW_FILE_NAME=P1-E09.mzML; MS_Sample=S.E9; Replicate=2; well=E9; OD600=0.395; Row=E; Column=9 SUBJECT_SAMPLE_FACTORS - P1-C02 Strain:2243 | AcetateConc:10 | TimePoint:TP4 | Time:28.5 RAW_FILE_NAME=P1-C02.d; RAW_FILE_NAME=P1-C02.mzML; MS_Sample=S.C2; Replicate=1; well=C2; OD600=0.228; Row=C; Column=2 SUBJECT_SAMPLE_FACTORS - P1-C05 Strain:2243 | AcetateConc:10 | TimePoint:TP4 | Time:28.5 RAW_FILE_NAME=P1-C05.d; RAW_FILE_NAME=P1-C05.mzML; MS_Sample=S.C5; Replicate=2; well=C5; OD600=0.231; Row=C; Column=5 SUBJECT_SAMPLE_FACTORS - P1-G05 Strain:2243 | AcetateConc:10 | TimePoint:TP4 | Time:28.5 RAW_FILE_NAME=P1-G05.d; RAW_FILE_NAME=P1-G05.mzML; MS_Sample=S.G5; Replicate=3; well=G5; OD600=0.212; Row=G; Column=5 SUBJECT_SAMPLE_FACTORS - P1-C07 Strain:2243 | AcetateConc:10 | TimePoint:TP7 | Time:47.5 RAW_FILE_NAME=P1-C07.d; RAW_FILE_NAME=P1-C07.mzML; MS_Sample=S.C7; Replicate=1; well=C7; OD600=0.583; Row=C; Column=7 SUBJECT_SAMPLE_FACTORS - P1-C09 Strain:2243 | AcetateConc:10 | TimePoint:TP7 | Time:47.5 RAW_FILE_NAME=P1-C09.d; RAW_FILE_NAME=P1-C09.mzML; MS_Sample=S.C9; Replicate=2; well=C9; OD600=0.593; Row=C; Column=9 SUBJECT_SAMPLE_FACTORS - P1-G07 Strain:2243 | AcetateConc:10 | TimePoint:TP7 | Time:47.5 RAW_FILE_NAME=P1-G07.d; RAW_FILE_NAME=P1-G07.mzML; MS_Sample=S.G7; Replicate=3; well=G7; OD600=0.54; Row=G; Column=7 SUBJECT_SAMPLE_FACTORS - P1-A11 Strain:2243 | AcetateConc:10 | TimePoint:TP8 | Time:64 RAW_FILE_NAME=P1-A11.d; RAW_FILE_NAME=P1-A11.mzML; MS_Sample=S.A11; Replicate=1; well=A11; OD600=0.89; Row=A; Column=11 SUBJECT_SAMPLE_FACTORS - P1-C11 Strain:2243 | AcetateConc:10 | TimePoint:TP8 | Time:64 RAW_FILE_NAME=P1-C11.d; RAW_FILE_NAME=P1-C11.mzML; MS_Sample=S.C11; Replicate=2; well=C11; OD600=0.907; Row=C; Column=11 SUBJECT_SAMPLE_FACTORS - P1-E11 Strain:2243 | AcetateConc:10 | TimePoint:TP8 | Time:64 RAW_FILE_NAME=P1-E11.d; RAW_FILE_NAME=P1-E11.mzML; MS_Sample=S.E11; Replicate=3; well=E11; OD600=0.887; Row=E; Column=11 SUBJECT_SAMPLE_FACTORS - P1-A02 Strain:2243 | AcetateConc:1 | TimePoint:TP4 | Time:28.5 RAW_FILE_NAME=P1-A02.d; RAW_FILE_NAME=P1-A02.mzML; MS_Sample=S.A2; Replicate=1; well=A2; OD600=0.174; Row=A; Column=2 SUBJECT_SAMPLE_FACTORS - P1-A05 Strain:2243 | AcetateConc:1 | TimePoint:TP4 | Time:28.5 RAW_FILE_NAME=P1-A05.d; RAW_FILE_NAME=P1-A05.mzML; MS_Sample=S.A5; Replicate=2; well=A5; OD600=0.22; Row=A; Column=5 SUBJECT_SAMPLE_FACTORS - P1-G02 Strain:2243 | AcetateConc:1 | TimePoint:TP4 | Time:28.5 RAW_FILE_NAME=P1-G02.d; RAW_FILE_NAME=P1-G02.mzML; MS_Sample=S.G2; Replicate=3; well=G2; OD600=0.176; Row=G; Column=2 SUBJECT_SAMPLE_FACTORS - P1-A07 Strain:2243 | AcetateConc:1 | TimePoint:TP7 | Time:47.5 RAW_FILE_NAME=P1-A07.d; RAW_FILE_NAME=P1-A07.mzML; MS_Sample=S.A7; Replicate=1; well=A7; OD600=0.449; Row=A; Column=7 SUBJECT_SAMPLE_FACTORS - P1-A09 Strain:2243 | AcetateConc:1 | TimePoint:TP7 | Time:47.5 RAW_FILE_NAME=P1-A09.d; RAW_FILE_NAME=P1-A09.mzML; MS_Sample=S.A9; Replicate=2; well=A9; OD600=0.733; Row=A; Column=9 SUBJECT_SAMPLE_FACTORS - P1-G09 Strain:2243 | AcetateConc:1 | TimePoint:TP7 | Time:47.5 RAW_FILE_NAME=P1-G09.d; RAW_FILE_NAME=P1-G09.mzML; MS_Sample=S.G9; Replicate=3; well=G9; OD600=0.582; Row=G; Column=9 SUBJECT_SAMPLE_FACTORS - P1-A10 Strain:2243 | AcetateConc:1 | TimePoint:TP8 | Time:64 RAW_FILE_NAME=P1-A10.d; RAW_FILE_NAME=P1-A10.mzML; MS_Sample=S.A10; Replicate=1; well=A10; OD600=0.802; Row=A; Column=10 SUBJECT_SAMPLE_FACTORS - P1-C10 Strain:2243 | AcetateConc:1 | TimePoint:TP8 | Time:64 RAW_FILE_NAME=P1-C10.d; RAW_FILE_NAME=P1-C10.mzML; MS_Sample=S.C10; Replicate=2; well=C10; OD600=0.802; Row=C; Column=10 SUBJECT_SAMPLE_FACTORS - P1-E10 Strain:2243 | AcetateConc:1 | TimePoint:TP8 | Time:64 RAW_FILE_NAME=P1-E10.d; RAW_FILE_NAME=P1-E10.mzML; MS_Sample=S.E10; Replicate=3; well=E10; OD600=0.787; Row=E; Column=10 SUBJECT_SAMPLE_FACTORS - P1-C03 Strain:AB8 | AcetateConc:0 | TimePoint:TP4 | Time:28.5 RAW_FILE_NAME=P1-C03.d; RAW_FILE_NAME=P1-C03.mzML; MS_Sample=S.C3; Replicate=3; well=C3; OD600=0.15; Row=C; Column=3 SUBJECT_SAMPLE_FACTORS - P1-F02 Strain:AB8 | AcetateConc:0 | TimePoint:TP4 | Time:28.5 RAW_FILE_NAME=P1-F02.d; RAW_FILE_NAME=P1-F02.mzML; MS_Sample=S.F2; Replicate=1; well=F2; OD600=0.201; Row=F; Column=2 SUBJECT_SAMPLE_FACTORS - P1-F05 Strain:AB8 | AcetateConc:0 | TimePoint:TP4 | Time:28.5 RAW_FILE_NAME=P1-F05.d; RAW_FILE_NAME=P1-F05.mzML; MS_Sample=S.F5; Replicate=2; well=F5; OD600=0.168; Row=F; Column=5 SUBJECT_SAMPLE_FACTORS - P1-F03 Strain:AB8 | AcetateConc:0 | TimePoint:TP7 | Time:47.5 RAW_FILE_NAME=P1-F03.d; RAW_FILE_NAME=P1-F03.mzML; MS_Sample=S.F3; Replicate=3; well=F3; OD600=0.296; Row=F; Column=3 SUBJECT_SAMPLE_FACTORS - P1-F07 Strain:AB8 | AcetateConc:0 | TimePoint:TP7 | Time:47.5 RAW_FILE_NAME=P1-F07.d; RAW_FILE_NAME=P1-F07.mzML; MS_Sample=S.F7; Replicate=1; well=F7; OD600=0.424; Row=F; Column=7 SUBJECT_SAMPLE_FACTORS - P1-F09 Strain:AB8 | AcetateConc:0 | TimePoint:TP7 | Time:47.5 RAW_FILE_NAME=P1-F09.d; RAW_FILE_NAME=P1-F09.mzML; MS_Sample=S.F9; Replicate=2; well=F9; OD600=0.324; Row=F; Column=9 SUBJECT_SAMPLE_FACTORS - P1-A12 Strain:AB8 | AcetateConc:10 | TimePoint:TP4 | Time:28.5 RAW_FILE_NAME=P1-A12.d; RAW_FILE_NAME=P1-A12.mzML; MS_Sample=S.H5; Replicate=3; well=H5; OD600=0.303; Row=H; Column=5 SUBJECT_SAMPLE_FACTORS - P1-D02 Strain:AB8 | AcetateConc:10 | TimePoint:TP4 | Time:28.5 RAW_FILE_NAME=P1-D02.d; RAW_FILE_NAME=P1-D02.mzML; MS_Sample=S.D2; Replicate=1; well=D2; OD600=0.351; Row=D; Column=2 SUBJECT_SAMPLE_FACTORS - P1-D05 Strain:AB8 | AcetateConc:10 | TimePoint:TP4 | Time:28.5 RAW_FILE_NAME=P1-D05.d; RAW_FILE_NAME=P1-D05.mzML; MS_Sample=S.D5; Replicate=2; well=D5; OD600=0.296; Row=D; Column=5 SUBJECT_SAMPLE_FACTORS - P1-B12 Strain:AB8 | AcetateConc:10 | TimePoint:TP7 | Time:47.5 RAW_FILE_NAME=P1-B12.d; RAW_FILE_NAME=P1-B12.mzML; MS_Sample=S.H7; Replicate=3; well=H7; OD600=0.817; Row=H; Column=7 SUBJECT_SAMPLE_FACTORS - P1-D07 Strain:AB8 | AcetateConc:10 | TimePoint:TP7 | Time:47.5 RAW_FILE_NAME=P1-D07.d; RAW_FILE_NAME=P1-D07.mzML; MS_Sample=S.D7; Replicate=1; well=D7; OD600=0.992; Row=D; Column=7 SUBJECT_SAMPLE_FACTORS - P1-D09 Strain:AB8 | AcetateConc:10 | TimePoint:TP7 | Time:47.5 RAW_FILE_NAME=P1-D09.d; RAW_FILE_NAME=P1-D09.mzML; MS_Sample=S.D9; Replicate=2; well=D9; OD600=0.876; Row=D; Column=9 SUBJECT_SAMPLE_FACTORS - P1-B11 Strain:AB8 | AcetateConc:10 | TimePoint:TP8 | Time:64 RAW_FILE_NAME=P1-B11.d; RAW_FILE_NAME=P1-B11.mzML; MS_Sample=S.B11; Replicate=1; well=B11; OD600=0.913; Row=B; Column=11 SUBJECT_SAMPLE_FACTORS - P1-D11 Strain:AB8 | AcetateConc:10 | TimePoint:TP8 | Time:64 RAW_FILE_NAME=P1-D11.d; RAW_FILE_NAME=P1-D11.mzML; MS_Sample=S.D11; Replicate=2; well=D11; OD600=0.87; Row=D; Column=11 SUBJECT_SAMPLE_FACTORS - P1-F11 Strain:AB8 | AcetateConc:10 | TimePoint:TP8 | Time:64 RAW_FILE_NAME=P1-F11.d; RAW_FILE_NAME=P1-F11.mzML; MS_Sample=S.F11; Replicate=3; well=F11; OD600=0.878; Row=F; Column=11 SUBJECT_SAMPLE_FACTORS - P1-B02 Strain:AB8 | AcetateConc:1 | TimePoint:TP4 | Time:28.5 RAW_FILE_NAME=P1-B02.d; RAW_FILE_NAME=P1-B02.mzML; MS_Sample=S.B2; Replicate=1; well=B2; OD600=0.313; Row=B; Column=2 SUBJECT_SAMPLE_FACTORS - P1-B05 Strain:AB8 | AcetateConc:1 | TimePoint:TP4 | Time:28.5 RAW_FILE_NAME=P1-B05.d; RAW_FILE_NAME=P1-B05.mzML; MS_Sample=S.B5; Replicate=2; well=B5; OD600=0.288; Row=B; Column=5 SUBJECT_SAMPLE_FACTORS - P1-G03 Strain:AB8 | AcetateConc:1 | TimePoint:TP4 | Time:28.5 RAW_FILE_NAME=P1-G03.d; RAW_FILE_NAME=P1-G03.mzML; MS_Sample=S.H2; Replicate=3; well=H2; OD600=0.289; Row=H; Column=2 SUBJECT_SAMPLE_FACTORS - P1-B07 Strain:AB8 | AcetateConc:1 | TimePoint:TP7 | Time:47.5 RAW_FILE_NAME=P1-B07.d; RAW_FILE_NAME=P1-B07.mzML; MS_Sample=S.B7; Replicate=1; well=B7; OD600=0.918; Row=B; Column=7 SUBJECT_SAMPLE_FACTORS - P1-B09 Strain:AB8 | AcetateConc:1 | TimePoint:TP7 | Time:47.5 RAW_FILE_NAME=P1-B09.d; RAW_FILE_NAME=P1-B09.mzML; MS_Sample=S.B9; Replicate=2; well=B9; OD600=0.824; Row=B; Column=9 SUBJECT_SAMPLE_FACTORS - P1-C12 Strain:AB8 | AcetateConc:1 | TimePoint:TP7 | Time:47.5 RAW_FILE_NAME=P1-C12.d; RAW_FILE_NAME=P1-C12.mzML; MS_Sample=S.H9; Replicate=3; well=H9; OD600=0.885; Row=H; Column=9 SUBJECT_SAMPLE_FACTORS - P1-B10 Strain:AB8 | AcetateConc:1 | TimePoint:TP8 | Time:64 RAW_FILE_NAME=P1-B10.d; RAW_FILE_NAME=P1-B10.mzML; MS_Sample=S.B10; Replicate=1; well=B10; OD600=0.947; Row=B; Column=10 SUBJECT_SAMPLE_FACTORS - P1-D10 Strain:AB8 | AcetateConc:1 | TimePoint:TP8 | Time:64 RAW_FILE_NAME=P1-D10.d; RAW_FILE_NAME=P1-D10.mzML; MS_Sample=S.D10; Replicate=2; well=D10; OD600=0.901; Row=D; Column=10 SUBJECT_SAMPLE_FACTORS - P1-F10 Strain:AB8 | AcetateConc:1 | TimePoint:TP8 | Time:64 RAW_FILE_NAME=P1-F10.d; RAW_FILE_NAME=P1-F10.mzML; MS_Sample=S.F10; Replicate=3; well=F10; OD600=0.904; Row=F; Column=10 SUBJECT_SAMPLE_FACTORS - Blank_01 Strain:- | AcetateConc:- | TimePoint:- | Time:- RAW_FILE_NAME=Blank_01.d; RAW_FILE_NAME=Blank_01.mzML; MS_Sample=-; Replicate=-; well=-; OD600=-; Row=-; Column=- SUBJECT_SAMPLE_FACTORS - Blank_02 Strain:- | AcetateConc:- | TimePoint:- | Time:- RAW_FILE_NAME=Blank_02.d; RAW_FILE_NAME=Blank_02.mzML; MS_Sample=-; Replicate=-; well=-; OD600=-; Row=-; Column=- SUBJECT_SAMPLE_FACTORS - Blank_03 Strain:- | AcetateConc:- | TimePoint:- | Time:- RAW_FILE_NAME=Blank_03.d; RAW_FILE_NAME=Blank_03.mzML; MS_Sample=-; Replicate=-; well=-; OD600=-; Row=-; Column=- SUBJECT_SAMPLE_FACTORS - Blank_04 Strain:- | AcetateConc:- | TimePoint:- | Time:- RAW_FILE_NAME=Blank_04.d; RAW_FILE_NAME=Blank_04.mzML; MS_Sample=-; Replicate=-; well=-; OD600=-; Row=-; Column=- SUBJECT_SAMPLE_FACTORS - Blank_05 Strain:- | AcetateConc:- | TimePoint:- | Time:- RAW_FILE_NAME=Blank_05.d; RAW_FILE_NAME=Blank_05.mzML; MS_Sample=-; Replicate=-; well=-; OD600=-; Row=-; Column=- SUBJECT_SAMPLE_FACTORS - PooledQC_01 Strain:- | AcetateConc:- | TimePoint:- | Time:- RAW_FILE_NAME=PooledQC_01.d; RAW_FILE_NAME=PooledQC_01.mzML; MS_Sample=-; Replicate=-; well=-; OD600=-; Row=-; Column=- SUBJECT_SAMPLE_FACTORS - PooledQC_02 Strain:- | AcetateConc:- | TimePoint:- | Time:- RAW_FILE_NAME=PooledQC_02.d; RAW_FILE_NAME=PooledQC_02.mzML; MS_Sample=-; Replicate=-; well=-; OD600=-; Row=-; Column=- SUBJECT_SAMPLE_FACTORS - PooledQC_03 Strain:- | AcetateConc:- | TimePoint:- | Time:- RAW_FILE_NAME=PooledQC_03.d; RAW_FILE_NAME=PooledQC_03.mzML; MS_Sample=-; Replicate=-; well=-; OD600=-; Row=-; Column=- SUBJECT_SAMPLE_FACTORS - Std_mSt_01 Strain:- | AcetateConc:- | TimePoint:- | Time:- RAW_FILE_NAME=Std_mSt_01.d; RAW_FILE_NAME=Std_mSt_01.mzML; MS_Sample=-; Replicate=-; well=-; OD600=-; Row=-; Column=- SUBJECT_SAMPLE_FACTORS - Std_mSt_02 Strain:- | AcetateConc:- | TimePoint:- | Time:- RAW_FILE_NAME=Std_mSt_02.d; RAW_FILE_NAME=Std_mSt_02.mzML; MS_Sample=-; Replicate=-; well=-; OD600=-; Row=-; Column=- SUBJECT_SAMPLE_FACTORS - Std_mSt_03 Strain:- | AcetateConc:- | TimePoint:- | Time:- RAW_FILE_NAME=Std_mSt_03.d; RAW_FILE_NAME=Std_mSt_03.mzML; MS_Sample=-; Replicate=-; well=-; OD600=-; Row=-; Column=- SUBJECT_SAMPLE_FACTORS - Std_mSt_04 Strain:- | AcetateConc:- | TimePoint:- | Time:- RAW_FILE_NAME=Std_mSt_04.d; RAW_FILE_NAME=Std_mSt_04.mzML; MS_Sample=-; Replicate=-; well=-; OD600=-; Row=-; Column=- SUBJECT_SAMPLE_FACTORS - Std_mSt_05 Strain:- | AcetateConc:- | TimePoint:- | Time:- RAW_FILE_NAME=Std_mSt_05.d; RAW_FILE_NAME=Std_mSt_05.mzML; MS_Sample=-; Replicate=-; well=-; OD600=-; Row=-; Column=- SUBJECT_SAMPLE_FACTORS - Std_mSt_06 Strain:- | AcetateConc:- | TimePoint:- | Time:- RAW_FILE_NAME=Std_mSt_06.d; RAW_FILE_NAME=Std_mSt_06.mzML; MS_Sample=-; Replicate=-; well=-; OD600=-; Row=-; Column=- SUBJECT_SAMPLE_FACTORS - Std_mSt_07 Strain:- | AcetateConc:- | TimePoint:- | Time:- RAW_FILE_NAME=Std_mSt_07.d; RAW_FILE_NAME=Std_mSt_07.mzML; MS_Sample=-; Replicate=-; well=-; OD600=-; Row=-; Column=- SUBJECT_SAMPLE_FACTORS - Std_mSt_08 Strain:- | AcetateConc:- | TimePoint:- | Time:- RAW_FILE_NAME=Std_mSt_08.d; RAW_FILE_NAME=Std_mSt_08.mzML; MS_Sample=-; Replicate=-; well=-; OD600=-; Row=-; Column=- SUBJECT_SAMPLE_FACTORS - Std_mSt_09 Strain:- | AcetateConc:- | TimePoint:- | Time:- RAW_FILE_NAME=Std_mSt_09.d; RAW_FILE_NAME=Std_mSt_09.mzML; MS_Sample=-; Replicate=-; well=-; OD600=-; Row=-; Column=- SUBJECT_SAMPLE_FACTORS - Std_mSt_10 Strain:- | AcetateConc:- | TimePoint:- | Time:- RAW_FILE_NAME=Std_mSt_10.d; RAW_FILE_NAME=Std_mSt_10.mzML; MS_Sample=-; Replicate=-; well=-; OD600=-; Row=-; Column=- SUBJECT_SAMPLE_FACTORS - Std_mSt_11 Strain:- | AcetateConc:- | TimePoint:- | Time:- RAW_FILE_NAME=Std_mSt_11.d; RAW_FILE_NAME=Std_mSt_11.mzML; MS_Sample=-; Replicate=-; well=-; OD600=-; Row=-; Column=- SUBJECT_SAMPLE_FACTORS - Std_mSt_12 Strain:- | AcetateConc:- | TimePoint:- | Time:- RAW_FILE_NAME=Std_mSt_12.d; RAW_FILE_NAME=Std_mSt_12.mzML; MS_Sample=-; Replicate=-; well=-; OD600=-; Row=-; Column=- SUBJECT_SAMPLE_FACTORS - Std_PBSSt_01 Strain:- | AcetateConc:- | TimePoint:- | Time:- RAW_FILE_NAME=Std_PBSSt_01.d; RAW_FILE_NAME=Std_PBSSt_01.mzML; MS_Sample=-; Replicate=-; well=-; OD600=-; Row=-; Column=- SUBJECT_SAMPLE_FACTORS - Std_PBSSt_02 Strain:- | AcetateConc:- | TimePoint:- | Time:- RAW_FILE_NAME=Std_PBSSt_02.d; RAW_FILE_NAME=Std_PBSSt_02.mzML; MS_Sample=-; Replicate=-; well=-; OD600=-; Row=-; Column=- SUBJECT_SAMPLE_FACTORS - Std_PBSSt_03 Strain:- | AcetateConc:- | TimePoint:- | Time:- RAW_FILE_NAME=Std_PBSSt_03.d; RAW_FILE_NAME=Std_PBSSt_03.mzML; MS_Sample=-; Replicate=-; well=-; OD600=-; Row=-; Column=- SUBJECT_SAMPLE_FACTORS - Std_PBSSt_04 Strain:- | AcetateConc:- | TimePoint:- | Time:- RAW_FILE_NAME=Std_PBSSt_04.d; RAW_FILE_NAME=Std_PBSSt_04.mzML; MS_Sample=-; Replicate=-; well=-; OD600=-; Row=-; Column=- SUBJECT_SAMPLE_FACTORS - Std_PBSSt_05 Strain:- | AcetateConc:- | TimePoint:- | Time:- RAW_FILE_NAME=Std_PBSSt_05.d; RAW_FILE_NAME=Std_PBSSt_05.mzML; MS_Sample=-; Replicate=-; well=-; OD600=-; Row=-; Column=- SUBJECT_SAMPLE_FACTORS - Std_PBSSt_06 Strain:- | AcetateConc:- | TimePoint:- | Time:- RAW_FILE_NAME=Std_PBSSt_06.d; RAW_FILE_NAME=Std_PBSSt_06.mzML; MS_Sample=-; Replicate=-; well=-; OD600=-; Row=-; Column=- SUBJECT_SAMPLE_FACTORS - Std_PBSSt_07 Strain:- | AcetateConc:- | TimePoint:- | Time:- RAW_FILE_NAME=Std_PBSSt_07.d; RAW_FILE_NAME=Std_PBSSt_07.mzML; MS_Sample=-; Replicate=-; well=-; OD600=-; Row=-; Column=- SUBJECT_SAMPLE_FACTORS - Std_PBSSt_08 Strain:- | AcetateConc:- | TimePoint:- | Time:- RAW_FILE_NAME=Std_PBSSt_08.d; RAW_FILE_NAME=Std_PBSSt_08.mzML; MS_Sample=-; Replicate=-; well=-; OD600=-; Row=-; Column=- SUBJECT_SAMPLE_FACTORS - Std_PBSSt_09 Strain:- | AcetateConc:- | TimePoint:- | Time:- RAW_FILE_NAME=Std_PBSSt_09.d; RAW_FILE_NAME=Std_PBSSt_09.mzML; MS_Sample=-; Replicate=-; well=-; OD600=-; Row=-; Column=- SUBJECT_SAMPLE_FACTORS - Std_PBSSt_10 Strain:- | AcetateConc:- | TimePoint:- | Time:- RAW_FILE_NAME=Std_PBSSt_10.d; RAW_FILE_NAME=Std_PBSSt_10.mzML; MS_Sample=-; Replicate=-; well=-; OD600=-; Row=-; Column=- SUBJECT_SAMPLE_FACTORS - Std_PBSSt_11 Strain:- | AcetateConc:- | TimePoint:- | Time:- RAW_FILE_NAME=Std_PBSSt_11.d; RAW_FILE_NAME=Std_PBSSt_11.mzML; MS_Sample=-; Replicate=-; well=-; OD600=-; Row=-; Column=- SUBJECT_SAMPLE_FACTORS - Std_PBSSt_12 Strain:- | AcetateConc:- | TimePoint:- | Time:- RAW_FILE_NAME=Std_PBSSt_12.d; RAW_FILE_NAME=Std_PBSSt_12.mzML; MS_Sample=-; Replicate=-; well=-; OD600=-; Row=-; Column=- SUBJECT_SAMPLE_FACTORS - P1-E01 Strain:c | AcetateConc:0 | TimePoint:TP4 | Time:- RAW_FILE_NAME=P1-E01.d; RAW_FILE_NAME=P1-E01.mzML; MS_Sample=S.E1; Replicate=1; well=E1; OD600=-; Row=E; Column=1 SUBJECT_SAMPLE_FACTORS - P1-E04 Strain:c | AcetateConc:0 | TimePoint:TP4 | Time:- RAW_FILE_NAME=P1-E04.d; RAW_FILE_NAME=P1-E04.mzML; MS_Sample=S.E4; Replicate=2; well=E4; OD600=-; Row=E; Column=4 SUBJECT_SAMPLE_FACTORS - P1-E06 Strain:c | AcetateConc:0 | TimePoint:TP7 | Time:- RAW_FILE_NAME=P1-E06.d; RAW_FILE_NAME=P1-E06.mzML; MS_Sample=S.E6; Replicate=1; well=E6; OD600=-; Row=E; Column=6 SUBJECT_SAMPLE_FACTORS - P1-E08 Strain:c | AcetateConc:0 | TimePoint:TP7 | Time:- RAW_FILE_NAME=P1-E08.d; RAW_FILE_NAME=P1-E08.mzML; MS_Sample=S.E8; Replicate=2; well=E8; OD600=-; Row=E; Column=8 SUBJECT_SAMPLE_FACTORS - P1-C01 Strain:c | AcetateConc:10 | TimePoint:TP4 | Time:- RAW_FILE_NAME=P1-C01.d; RAW_FILE_NAME=P1-C01.mzML; MS_Sample=S.C1; Replicate=1; well=C1; OD600=-; Row=C; Column=1 SUBJECT_SAMPLE_FACTORS - P1-C04 Strain:c | AcetateConc:10 | TimePoint:TP4 | Time:- RAW_FILE_NAME=P1-C04.d; RAW_FILE_NAME=P1-C04.mzML; MS_Sample=S.C4; Replicate=2; well=C4; OD600=-; Row=C; Column=4 SUBJECT_SAMPLE_FACTORS - P1-C06 Strain:c | AcetateConc:10 | TimePoint:TP7 | Time:- RAW_FILE_NAME=P1-C06.d; RAW_FILE_NAME=P1-C06.mzML; MS_Sample=S.C6; Replicate=1; well=C6; OD600=-; Row=C; Column=6 SUBJECT_SAMPLE_FACTORS - P1-C08 Strain:c | AcetateConc:10 | TimePoint:TP7 | Time:- RAW_FILE_NAME=P1-C08.d; RAW_FILE_NAME=P1-C08.mzML; MS_Sample=S.C8; Replicate=2; well=C8; OD600=-; Row=C; Column=8 SUBJECT_SAMPLE_FACTORS - P1-E12 Strain:c | AcetateConc:10 | TimePoint:TP8 | Time:- RAW_FILE_NAME=P1-E12.d; RAW_FILE_NAME=P1-E12.mzML; MS_Sample=S.H11; Replicate=2; well=H11; OD600=-; Row=H; Column=11 SUBJECT_SAMPLE_FACTORS - P1-G11 Strain:c | AcetateConc:10 | TimePoint:TP8 | Time:- RAW_FILE_NAME=P1-G11.d; RAW_FILE_NAME=P1-G11.mzML; MS_Sample=S.G11; Replicate=1; well=G11; OD600=-; Row=G; Column=11 SUBJECT_SAMPLE_FACTORS - P1-A01 Strain:c | AcetateConc:1 | TimePoint:TP4 | Time:- RAW_FILE_NAME=P1-A01.d; RAW_FILE_NAME=P1-A01.mzML; MS_Sample=S.A1; Replicate=1; well=A1; OD600=-; Row=A; Column=1 SUBJECT_SAMPLE_FACTORS - P1-A04 Strain:c | AcetateConc:1 | TimePoint:TP4 | Time:- RAW_FILE_NAME=P1-A04.d; RAW_FILE_NAME=P1-A04.mzML; MS_Sample=S.A4; Replicate=2; well=A4; OD600=-; Row=A; Column=4 SUBJECT_SAMPLE_FACTORS - P1-A06 Strain:c | AcetateConc:1 | TimePoint:TP7 | Time:- RAW_FILE_NAME=P1-A06.d; RAW_FILE_NAME=P1-A06.mzML; MS_Sample=S.A6; Replicate=1; well=A6; OD600=-; Row=A; Column=6 SUBJECT_SAMPLE_FACTORS - P1-A08 Strain:c | AcetateConc:1 | TimePoint:TP7 | Time:- RAW_FILE_NAME=P1-A08.d; RAW_FILE_NAME=P1-A08.mzML; MS_Sample=S.A8; Replicate=2; well=A8; OD600=-; Row=A; Column=8 SUBJECT_SAMPLE_FACTORS - P1-D12 Strain:c | AcetateConc:1 | TimePoint:TP8 | Time:- RAW_FILE_NAME=P1-D12.d; RAW_FILE_NAME=P1-D12.mzML; MS_Sample=S.H10; Replicate=2; well=H10; OD600=-; Row=H; Column=10 SUBJECT_SAMPLE_FACTORS - P1-G10 Strain:c | AcetateConc:1 | TimePoint:TP8 | Time:- RAW_FILE_NAME=P1-G10.d; RAW_FILE_NAME=P1-G10.mzML; MS_Sample=S.G10; Replicate=1; well=G10; OD600=-; Row=G; Column=10 SUBJECT_SAMPLE_FACTORS - P1-A03 Strain:Val | AcetateConc:0 | TimePoint:TP4 | Time:28.5 RAW_FILE_NAME=P1-A03.d; RAW_FILE_NAME=P1-A03.mzML; MS_Sample=S.A3; Replicate=3; well=A3; OD600=0.096; Row=A; Column=3 SUBJECT_SAMPLE_FACTORS - P1-F01 Strain:Val | AcetateConc:0 | TimePoint:TP4 | Time:28.5 RAW_FILE_NAME=P1-F01.d; RAW_FILE_NAME=P1-F01.mzML; MS_Sample=S.F1; Replicate=1; well=F1; OD600=0.116; Row=F; Column=1 SUBJECT_SAMPLE_FACTORS - P1-F04 Strain:Val | AcetateConc:0 | TimePoint:TP4 | Time:28.5 RAW_FILE_NAME=P1-F04.d; RAW_FILE_NAME=P1-F04.mzML; MS_Sample=S.F4; Replicate=2; well=F4; OD600=0.13; Row=F; Column=4 SUBJECT_SAMPLE_FACTORS - P1-D03 Strain:Val | AcetateConc:0 | TimePoint:TP7 | Time:47.5 RAW_FILE_NAME=P1-D03.d; RAW_FILE_NAME=P1-D03.mzML; MS_Sample=S.D3; Replicate=3; well=D3; OD600=0.176; Row=D; Column=3 SUBJECT_SAMPLE_FACTORS - P1-F06 Strain:Val | AcetateConc:0 | TimePoint:TP7 | Time:47.5 RAW_FILE_NAME=P1-F06.d; RAW_FILE_NAME=P1-F06.mzML; MS_Sample=S.F6; Replicate=1; well=F6; OD600=0.249; Row=F; Column=6 SUBJECT_SAMPLE_FACTORS - P1-F08 Strain:Val | AcetateConc:0 | TimePoint:TP7 | Time:47.5 RAW_FILE_NAME=P1-F08.d; RAW_FILE_NAME=P1-F08.mzML; MS_Sample=S.F8; Replicate=2; well=F8; OD600=0.26; Row=F; Column=8 SUBJECT_SAMPLE_FACTORS - P1-D01 Strain:Val | AcetateConc:10 | TimePoint:TP4 | Time:28.5 RAW_FILE_NAME=P1-D01.d; RAW_FILE_NAME=P1-D01.mzML; MS_Sample=S.D1; Replicate=1; well=D1; OD600=0.175; Row=D; Column=1 SUBJECT_SAMPLE_FACTORS - P1-D04 Strain:Val | AcetateConc:10 | TimePoint:TP4 | Time:28.5 RAW_FILE_NAME=P1-D04.d; RAW_FILE_NAME=P1-D04.mzML; MS_Sample=S.D4; Replicate=2; well=D4; OD600=0.179; Row=D; Column=4 SUBJECT_SAMPLE_FACTORS - P1-G04 Strain:Val | AcetateConc:10 | TimePoint:TP4 | Time:28.5 RAW_FILE_NAME=P1-G04.d; RAW_FILE_NAME=P1-G04.mzML; MS_Sample=S.G4; Replicate=3; well=G4; OD600=0.213; Row=G; Column=4 SUBJECT_SAMPLE_FACTORS - P1-D06 Strain:Val | AcetateConc:10 | TimePoint:TP7 | Time:47.5 RAW_FILE_NAME=P1-D06.d; RAW_FILE_NAME=P1-D06.mzML; MS_Sample=S.D6; Replicate=1; well=D6; OD600=0.693; Row=D; Column=6 SUBJECT_SAMPLE_FACTORS - P1-D08 Strain:Val | AcetateConc:10 | TimePoint:TP7 | Time:47.5 RAW_FILE_NAME=P1-D08.d; RAW_FILE_NAME=P1-D08.mzML; MS_Sample=S.D8; Replicate=2; well=D8; OD600=0.689; Row=D; Column=8 SUBJECT_SAMPLE_FACTORS - P1-G06 Strain:Val | AcetateConc:10 | TimePoint:TP7 | Time:47.5 RAW_FILE_NAME=P1-G06.d; RAW_FILE_NAME=P1-G06.mzML; MS_Sample=S.G6; Replicate=3; well=G6; OD600=0.795; Row=G; Column=6 SUBJECT_SAMPLE_FACTORS - P1-B01 Strain:Val | AcetateConc:1 | TimePoint:TP4 | Time:28.5 RAW_FILE_NAME=P1-B01.d; RAW_FILE_NAME=P1-B01.mzML; MS_Sample=S.B1; Replicate=1; well=B1; OD600=0.174; Row=B; Column=1 SUBJECT_SAMPLE_FACTORS - P1-B04 Strain:Val | AcetateConc:1 | TimePoint:TP4 | Time:28.5 RAW_FILE_NAME=P1-B04.d; RAW_FILE_NAME=P1-B04.mzML; MS_Sample=S.B4; Replicate=2; well=B4; OD600=0.193; Row=B; Column=4 SUBJECT_SAMPLE_FACTORS - P1-G01 Strain:Val | AcetateConc:1 | TimePoint:TP4 | Time:28.5 RAW_FILE_NAME=P1-G01.d; RAW_FILE_NAME=P1-G01.mzML; MS_Sample=S.G1; Replicate=3; well=G1; OD600=0.204; Row=G; Column=1 SUBJECT_SAMPLE_FACTORS - P1-B06 Strain:Val | AcetateConc:1 | TimePoint:TP7 | Time:47.5 RAW_FILE_NAME=P1-B06.d; RAW_FILE_NAME=P1-B06.mzML; MS_Sample=S.B6; Replicate=1; well=B6; OD600=0.628; Row=B; Column=6 SUBJECT_SAMPLE_FACTORS - P1-B08 Strain:Val | AcetateConc:1 | TimePoint:TP7 | Time:47.5 RAW_FILE_NAME=P1-B08.d; RAW_FILE_NAME=P1-B08.mzML; MS_Sample=S.B8; Replicate=2; well=B8; OD600=0.765; Row=B; Column=8 SUBJECT_SAMPLE_FACTORS - P1-G08 Strain:Val | AcetateConc:1 | TimePoint:TP7 | Time:47.5 RAW_FILE_NAME=P1-G08.d; RAW_FILE_NAME=P1-G08.mzML; MS_Sample=S.G8; Replicate=3; well=G8; OD600=0.778; Row=G; Column=8 #COLLECTION CO:COLLECTION_SUMMARY Time course experiments were conducted in tubes in the anaerobic chamber in a CO:COLLECTION_SUMMARY 37°C incubator. For all metabolomics experiments, three independent culture CO:COLLECTION_SUMMARY replicates were included for each condition, with an equal number of CO:COLLECTION_SUMMARY uninoculated control tubes. Starter cultures and inocula were prepared as CO:COLLECTION_SUMMARY described above for growth assays. 5mLs of defined media was added to VWR glass CO:COLLECTION_SUMMARY culture tubes (53283-800) with screw caps. The PBS-washed inoculum was added to CO:COLLECTION_SUMMARY culture tubes to obtain an approximate starting OD600 of 0.001. A preliminary CO:COLLECTION_SUMMARY growth assay was conducted to define time points spanning the exponential growth CO:COLLECTION_SUMMARY phase in the tested conditions. At each time point, OD600 measurements of all CO:COLLECTION_SUMMARY inoculated tubes were first measured using a Hach DR1900 spectrophotometer, with CO:COLLECTION_SUMMARY a paired control tube to normalize for the background. 100 μL from each tube CO:COLLECTION_SUMMARY were then transferred into a 96-well microplate, which was sealed and removed CO:COLLECTION_SUMMARY from the anaerobic chamber. Plates were centrifuged at 1,928 rcf at 4°C for 8 CO:COLLECTION_SUMMARY minutes, after which supernatants were collected into fresh polypropylene tubes CO:COLLECTION_SUMMARY or plates, sealed, and flash-frozen in liquid nitrogen. CO:SAMPLE_TYPE Bacterial culture supernatant CO:COLLECTION_FREQUENCY at time points specified in study design table over 64 hours (full growth phase) CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY For growth and metabolomics experiments, glycerol stocks of the 3 E. lenta TR:TREATMENT_SUMMARY strains were first streaked on BHI+ agar plates and incubated at 37°C for 2-3 TR:TREATMENT_SUMMARY days. Individual colonies were inoculated into 3-4 mL liquid BHI+ and incubated TR:TREATMENT_SUMMARY at 37°C for 40-48 hours, or until approximately early stationary phase. Culture TR:TREATMENT_SUMMARY optical density (600 nm wavelength absorbance, OD600) was measured using a Hach TR:TREATMENT_SUMMARY DR1900 spectrophotometer. 1 mL samples of BHI starter cultures were then TR:TREATMENT_SUMMARY centrifuged at 1,568 rcf for 4 minutes in a microcentrifuge (ThermoScientific TR:TREATMENT_SUMMARY mySpin 12) in the anaerobic chamber and resuspended in 1 mL sterile TR:TREATMENT_SUMMARY phosphate-buffered saline (PBS). The resulting suspension was vortexed and TR:TREATMENT_SUMMARY diluted to an approximate OD600 of 0.1, and used as inoculum into defined TR:TREATMENT_SUMMARY experimental conditions. Varying media conditions were prepared separately and TR:TREATMENT_SUMMARY all allowed to fully reduce in the anaerobic chamber prior to inoculation. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Samples (20 μL) were first mixed with an internal standard solution (30 μL; 1 SP:SAMPLEPREP_SUMMARY mM phenylpropionate-d9) in a V-bottomed, poly(propylene), 96-well plate, and SP:SAMPLEPREP_SUMMARY extracted by mixing with 3 sample volumes of extraction solution (75% SP:SAMPLEPREP_SUMMARY acetonitrile:25% methanol). The plate was covered with a lid and centrifuged at SP:SAMPLEPREP_SUMMARY 5,000 rcf for 15 min at 4 °C. Supernatant was collected for derivatization SP:SAMPLEPREP_SUMMARY before subjecting to LC–MS analysis. Samples were processed using a SP:SAMPLEPREP_SUMMARY derivatization method targeting compounds containing a free carboxylic acid. SP:SAMPLEPREP_SUMMARY Extracted samples were mixed with 3-nitrophenylhydrazine (NPH; 200 mM in 50% SP:SAMPLEPREP_SUMMARY acetonitrile) and N-(3-dimethylaminopropyl)-N′-ethylcarbodiimide (120 mM in SP:SAMPLEPREP_SUMMARY 6% pyridine) at a 2:1:1 ratio. The plate was sealed with a plastic sealing mat SP:SAMPLEPREP_SUMMARY (Thermo Fisher Scientific, #AB-0566) and incubated at 40 °C, 600 rpm in a SP:SAMPLEPREP_SUMMARY thermomixer for 60 min to derivatize the carboxylate-containing compounds. The SP:SAMPLEPREP_SUMMARY reaction mixture was quenched with 0.02% formic acid in 10% acetonitrile:water SP:SAMPLEPREP_SUMMARY before LC–MS. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Samples were injected via refrigerated autosampler into mobile phase and CH:CHROMATOGRAPHY_SUMMARY chromatographically separated by an Agilent 1290 Infinity II UPLC and detected CH:CHROMATOGRAPHY_SUMMARY using an Agilent 6545XT Q-TOF (quadrupole time of flight) mass spectrometer CH:CHROMATOGRAPHY_SUMMARY equipped with a dual jet stream electrospray ionization source, operating under CH:CHROMATOGRAPHY_SUMMARY extended dynamic range (1,700 m/z). Chromatographic separation was performed CH:CHROMATOGRAPHY_SUMMARY using an ACQUITY Bridged Ethylene Hybrid (BEH) C18 column 2.1 x 100 mm, CH:CHROMATOGRAPHY_SUMMARY 1.7-micron particle size, (Waters Corp. Milford, MA), using chromatographic CH:CHROMATOGRAPHY_SUMMARY conditions published elsewhere (Supplementary Table S26 of CH:CHROMATOGRAPHY_SUMMARY https://doi.org/10.1038/s41564-022-01109-9). CH:INSTRUMENT_NAME Agilent 1290 Infinity II CH:COLUMN_NAME Waters ACQUITY UPLC CSH C18 (100 x 2.1mm,1.7um) CH:COLUMN_TEMPERATURE 50 CH:FLOW_GRADIENT See CH:FLOW_RATE 300 μL per minute CH:SOLVENT_A 0.1% formic acid in water CH:SOLVENT_B 0.1% formic acid in methanol CH:CHROMATOGRAPHY_TYPE Unspecified #ANALYSIS AN:LABORATORY_NAME Dylan Dodd, Stanford AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent 6545 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:MS_COMMENTS Samples were injected via refrigerated autosampler into mobile phase and MS:MS_COMMENTS chromatographically separated by an Agilent 1290 Infinity II UPLC and detected MS:MS_COMMENTS using an Agilent 6545XT Q-TOF (quadrupole time of flight) mass spectrometer MS:MS_COMMENTS equipped with a dual jet stream electrospray ionization source, operating under MS:MS_COMMENTS extended dynamic range (1,700 m/z). MS1 spectra were collected in centroid MS:MS_COMMENTS mode, and peak assignments in samples were made based on comparisons of MS:MS_COMMENTS retention times and accurate masses from authentic standards using MassHunter MS:MS_COMMENTS Quantitative Analysis v.10.0 software from Agilent Technologies. Acetate was MS:MS_COMMENTS quantified from calibration curves constructed with acetate-d4 as a standard MS:MS_COMMENTS using isotope-dilution MS with phenylpropionate-d9 as the internal standard. MS:MS_COMMENTS Calibration curves were performed in a modified base form of EDM1 lacking amino MS:MS_COMMENTS acids and other carboxylic acids. A background level of 1.05mM of acetate was MS:MS_COMMENTS subtracted to obtain the final quantities. MS:ION_MODE NEGATIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS mM MS_METABOLITE_DATA_START Samples P1-B03 P1-E02 P1-E05 P1-E03 P1-E07 P1-E09 P1-C02 P1-C05 P1-G05 P1-C07 P1-C09 P1-G07 P1-A11 P1-C11 P1-E11 P1-A02 P1-A05 P1-G02 P1-A07 P1-A09 P1-G09 P1-A10 P1-C10 P1-E10 P1-C03 P1-F02 P1-F05 P1-F03 P1-F07 P1-F09 P1-A12 P1-D02 P1-D05 P1-B12 P1-D07 P1-D09 P1-B11 P1-D11 P1-F11 P1-B02 P1-B05 P1-G03 P1-B07 P1-B09 P1-C12 P1-B10 P1-D10 P1-F10 PooledQC_01 PooledQC_02 PooledQC_03 Std_PBSSt_01 Std_PBSSt_02 Std_PBSSt_03 Std_PBSSt_04 Std_PBSSt_05 Std_PBSSt_06 Std_PBSSt_07 Std_PBSSt_08 Std_PBSSt_09 Std_PBSSt_10 Std_PBSSt_11 Std_PBSSt_12 P1-E01 P1-E04 P1-E06 P1-E08 P1-C01 P1-C04 P1-C06 P1-C08 P1-E12 P1-G11 P1-A01 P1-A04 P1-A06 P1-A08 P1-D12 P1-G10 P1-A03 P1-F01 P1-F04 P1-D03 P1-F06 P1-F08 P1-D01 P1-D04 P1-G04 P1-D06 P1-D08 P1-G06 P1-B01 P1-B04 P1-G01 P1-B06 P1-B08 P1-G08 Factors Strain:2243 | AcetateConc:0 | TimePoint:TP4 | Time:28.5 Strain:2243 | AcetateConc:0 | TimePoint:TP4 | Time:28.5 Strain:2243 | AcetateConc:0 | TimePoint:TP4 | Time:28.5 Strain:2243 | AcetateConc:0 | TimePoint:TP7 | Time:47.5 Strain:2243 | AcetateConc:0 | TimePoint:TP7 | Time:47.5 Strain:2243 | AcetateConc:0 | TimePoint:TP7 | Time:47.5 Strain:2243 | AcetateConc:10 | TimePoint:TP4 | Time:28.5 Strain:2243 | AcetateConc:10 | TimePoint:TP4 | Time:28.5 Strain:2243 | AcetateConc:10 | TimePoint:TP4 | Time:28.5 Strain:2243 | AcetateConc:10 | TimePoint:TP7 | Time:47.5 Strain:2243 | AcetateConc:10 | TimePoint:TP7 | Time:47.5 Strain:2243 | AcetateConc:10 | TimePoint:TP7 | Time:47.5 Strain:2243 | AcetateConc:10 | TimePoint:TP8 | Time:64 Strain:2243 | AcetateConc:10 | TimePoint:TP8 | Time:64 Strain:2243 | AcetateConc:10 | TimePoint:TP8 | Time:64 Strain:2243 | AcetateConc:1 | TimePoint:TP4 | Time:28.5 Strain:2243 | AcetateConc:1 | TimePoint:TP4 | Time:28.5 Strain:2243 | AcetateConc:1 | TimePoint:TP4 | Time:28.5 Strain:2243 | AcetateConc:1 | TimePoint:TP7 | Time:47.5 Strain:2243 | AcetateConc:1 | TimePoint:TP7 | Time:47.5 Strain:2243 | AcetateConc:1 | TimePoint:TP7 | Time:47.5 Strain:2243 | AcetateConc:1 | TimePoint:TP8 | Time:64 Strain:2243 | AcetateConc:1 | TimePoint:TP8 | Time:64 Strain:2243 | AcetateConc:1 | TimePoint:TP8 | Time:64 Strain:AB8 | AcetateConc:0 | TimePoint:TP4 | Time:28.5 Strain:AB8 | AcetateConc:0 | TimePoint:TP4 | Time:28.5 Strain:AB8 | AcetateConc:0 | TimePoint:TP4 | Time:28.5 Strain:AB8 | AcetateConc:0 | TimePoint:TP7 | Time:47.5 Strain:AB8 | AcetateConc:0 | TimePoint:TP7 | Time:47.5 Strain:AB8 | AcetateConc:0 | TimePoint:TP7 | Time:47.5 Strain:AB8 | AcetateConc:10 | TimePoint:TP4 | Time:28.5 Strain:AB8 | AcetateConc:10 | TimePoint:TP4 | Time:28.5 Strain:AB8 | AcetateConc:10 | TimePoint:TP4 | Time:28.5 Strain:AB8 | AcetateConc:10 | TimePoint:TP7 | Time:47.5 Strain:AB8 | AcetateConc:10 | TimePoint:TP7 | Time:47.5 Strain:AB8 | AcetateConc:10 | TimePoint:TP7 | Time:47.5 Strain:AB8 | AcetateConc:10 | TimePoint:TP8 | Time:64 Strain:AB8 | AcetateConc:10 | TimePoint:TP8 | Time:64 Strain:AB8 | AcetateConc:10 | TimePoint:TP8 | Time:64 Strain:AB8 | AcetateConc:1 | TimePoint:TP4 | Time:28.5 Strain:AB8 | AcetateConc:1 | TimePoint:TP4 | Time:28.5 Strain:AB8 | AcetateConc:1 | TimePoint:TP4 | Time:28.5 Strain:AB8 | AcetateConc:1 | TimePoint:TP7 | Time:47.5 Strain:AB8 | AcetateConc:1 | TimePoint:TP7 | Time:47.5 Strain:AB8 | AcetateConc:1 | TimePoint:TP7 | Time:47.5 Strain:AB8 | AcetateConc:1 | TimePoint:TP8 | Time:64 Strain:AB8 | AcetateConc:1 | TimePoint:TP8 | Time:64 Strain:AB8 | AcetateConc:1 | TimePoint:TP8 | Time:64 Strain:- | AcetateConc:- | TimePoint:- | Time:- Strain:- | AcetateConc:- | TimePoint:- | Time:- Strain:- | AcetateConc:- | TimePoint:- | Time:- Strain:- | AcetateConc:- | TimePoint:- | Time:- Strain:- | AcetateConc:- | TimePoint:- | Time:- Strain:- | AcetateConc:- | TimePoint:- | Time:- Strain:- | AcetateConc:- | TimePoint:- | Time:- Strain:- | AcetateConc:- | TimePoint:- | Time:- Strain:- | AcetateConc:- | TimePoint:- | Time:- Strain:- | AcetateConc:- | TimePoint:- | Time:- Strain:- | AcetateConc:- | TimePoint:- | Time:- Strain:- | AcetateConc:- | TimePoint:- | Time:- Strain:- | AcetateConc:- | TimePoint:- | Time:- Strain:- | AcetateConc:- | TimePoint:- | Time:- Strain:- | AcetateConc:- | TimePoint:- | Time:- Strain:c | AcetateConc:0 | TimePoint:TP4 | Time:- Strain:c | AcetateConc:0 | TimePoint:TP4 | Time:- Strain:c | AcetateConc:0 | TimePoint:TP7 | Time:- Strain:c | AcetateConc:0 | TimePoint:TP7 | Time:- Strain:c | AcetateConc:10 | TimePoint:TP4 | Time:- Strain:c | AcetateConc:10 | TimePoint:TP4 | Time:- Strain:c | AcetateConc:10 | TimePoint:TP7 | Time:- Strain:c | AcetateConc:10 | TimePoint:TP7 | Time:- Strain:c | AcetateConc:10 | TimePoint:TP8 | Time:- Strain:c | AcetateConc:10 | TimePoint:TP8 | Time:- Strain:c | AcetateConc:1 | TimePoint:TP4 | Time:- Strain:c | AcetateConc:1 | TimePoint:TP4 | Time:- Strain:c | AcetateConc:1 | TimePoint:TP7 | Time:- Strain:c | AcetateConc:1 | TimePoint:TP7 | Time:- Strain:c | AcetateConc:1 | TimePoint:TP8 | Time:- Strain:c | AcetateConc:1 | TimePoint:TP8 | Time:- Strain:Val | AcetateConc:0 | TimePoint:TP4 | Time:28.5 Strain:Val | AcetateConc:0 | TimePoint:TP4 | Time:28.5 Strain:Val | AcetateConc:0 | TimePoint:TP4 | Time:28.5 Strain:Val | AcetateConc:0 | TimePoint:TP7 | Time:47.5 Strain:Val | AcetateConc:0 | TimePoint:TP7 | Time:47.5 Strain:Val | AcetateConc:0 | TimePoint:TP7 | Time:47.5 Strain:Val | AcetateConc:10 | TimePoint:TP4 | Time:28.5 Strain:Val | AcetateConc:10 | TimePoint:TP4 | Time:28.5 Strain:Val | AcetateConc:10 | TimePoint:TP4 | Time:28.5 Strain:Val | AcetateConc:10 | TimePoint:TP7 | Time:47.5 Strain:Val | AcetateConc:10 | TimePoint:TP7 | Time:47.5 Strain:Val | AcetateConc:10 | TimePoint:TP7 | Time:47.5 Strain:Val | AcetateConc:1 | TimePoint:TP4 | Time:28.5 Strain:Val | AcetateConc:1 | TimePoint:TP4 | Time:28.5 Strain:Val | AcetateConc:1 | TimePoint:TP4 | Time:28.5 Strain:Val | AcetateConc:1 | TimePoint:TP7 | Time:47.5 Strain:Val | AcetateConc:1 | TimePoint:TP7 | Time:47.5 Strain:Val | AcetateConc:1 | TimePoint:TP7 | Time:47.5 2-Me-Butyric acid 0.0008 0.0041 0.0064 0.0102 0.0092 0.0162 0.0170 0.0169 0.0214 0.0154 0.0077 0.0032 0.0057 0.0108 0.0151 0.0204 0.0067 0.0091 0.0092 0.0001 0.0040 0.0006 0.0109 0.0250 0.0112 0.0152 0.0093 0.0105 0.0546 0.0352 0.0483 0.0698 0.1817 0.0684 0.0122 0.0103 0.0131 0.0596 0.0626 0.0643 0.0606 0.0622 0.0633 2.9922 1.5109 0.7661 0.3816 0.1788 0.0875 0.0414 0.0211 0.0103 0.0055 0.0037 0.0045 0.0000 0.0017 0.0002 0.0041 0.0078 0.0055 0.0077 0.0058 0.0420 0.0603 0.0464 0.0089 0.0088 0.0045 0.0436 0.0451 0.0346 Acetate-d4 0.0182 0.0195 0.0280 0.0190 0.0171 0.0210 0.0166 0.0298 0.0215 0.0178 0.0312 0.0207 0.0308 0.0174 0.0167 0.0272 0.0275 0.0224 0.0242 0.0185 0.0167 0.0169 0.0230 0.0220 0.0169 0.0188 0.0224 0.0176 0.0175 0.0224 0.0167 0.0179 0.0203 0.0489 0.0297 0.0176 0.0195 0.0169 0.0216 0.0216 0.0220 0.0205 0.0179 0.0175 0.0231 0.0179 0.0349 30.7736 14.2505 7.6498 3.6903 1.7964 0.8715 0.4592 0.2366 0.1492 0.0779 0.0245 0.0181 0.0169 0.0251 0.0264 0.0196 0.0264 0.0210 0.0274 0.0294 0.0201 0.0173 0.0169 0.0194 0.0193 0.0231 0.0186 0.0199 0.0248 0.0189 0.0187 0.0193 0.0317 0.0187 0.0240 0.0307 0.0226 0.0186 0.0241 0.0198 Acetic acid 1.1646 1.4535 1.3479 1.3357 1.3683 1.2046 15.9893 3.5426 10.6290 13.7751 3.2072 9.2670 17.5806 2.7753 9.9907 2.2150 2.0484 1.8885 1.3164 1.2803 1.5697 1.3088 1.4496 1.3174 1.3126 1.2579 1.3223 1.2148 1.3684 1.3375 12.8571 13.3598 11.5874 9.2409 10.3013 10.0433 13.3211 23.9695 10.3591 1.7492 1.9939 2.0141 1.2702 1.3117 1.2495 1.3502 1.6598 1.4831 0.9418 1.0315 1.0776 1.0782 1.0570 1.0393 1.1189 1.1344 1.0814 1.1568 1.0804 0.9182 1.4413 1.0871 1.5119 1.4164 13.2818 9.2990 10.8423 10.2623 8.4303 13.4231 2.5028 2.7388 2.6266 2.8015 2.3149 2.1341 1.1689 1.2914 1.2536 1.3318 1.3048 1.3683 19.3438 4.8203 11.2989 18.8037 4.1982 8.9098 2.2605 2.3615 2.0633 1.3075 1.2916 1.4314 Alanine 0.0114 0.0411 0.0416 0.0197 0.0198 0.0127 0.0341 0.0314 0.0238 0.0351 0.0154 1.5560 0.7036 0.4013 0.1650 0.0766 0.0423 0.0321 0.0116 0.0119 Arginine 57.2510 61.0465 56.5324 38.8920 40.1598 36.6186 47.8618 47.3493 54.2297 34.0089 27.5719 30.0176 1.3969 0.5512 0.4627 57.1258 59.1675 63.4447 30.6921 29.3313 30.8224 1.8251 1.7665 1.2041 51.0833 41.9999 45.6876 41.7517 36.6936 43.0605 49.2271 44.8592 47.4633 15.4832 8.2003 14.5930 0.2903 0.2439 50.0665 52.7487 48.4294 7.1177 13.9618 15.0777 0.2032 0.2189 0.2091 37.6465 39.7503 37.2370 79.4446 36.0997 17.5950 8.4779 4.2997 1.9708 0.9953 0.4975 0.2545 63.3908 60.7176 53.9770 58.1620 73.2570 61.5508 63.5000 60.8821 47.0618 67.6389 50.5817 65.7590 68.0852 76.3857 39.7258 46.5625 53.9111 55.3494 59.1948 48.5822 56.9274 49.2115 55.8494 52.1601 49.5155 35.1731 28.6772 24.0636 61.8570 52.0376 48.9316 30.7866 28.8918 24.8628 Aspartic acid 1.5676 0.6985 0.3507 0.1955 0.1058 0.0268 0.0315 0.0605 Butanate 0.0008 0.0061 0.0003 0.0056 0.0116 0.0072 0.0005 0.0000 0.0029 0.0059 0.0061 0.0071 0.0048 0.0019 0.0018 0.0015 0.0034 0.0096 0.0390 0.0098 0.0022 0.0074 0.0052 0.0054 3.0529 1.4581 0.7867 0.3587 0.1823 0.0796 0.0418 0.0180 0.0078 0.0054 0.0049 0.0004 0.0031 0.0078 0.0029 0.0010 Citrulline 0.6514 1.0126 0.9005 6.1839 6.2257 6.0728 0.9820 1.1024 0.9986 5.0730 7.6847 5.0069 16.9969 14.4602 15.0452 1.4511 1.2700 1.1131 6.7964 6.6127 6.8539 18.8685 18.1908 19.6533 1.1043 1.1230 1.1448 6.6428 6.1695 6.7089 2.3891 1.6631 1.8281 13.5384 8.8041 11.5864 12.2152 15.3984 14.1785 1.9829 1.8262 1.7664 13.7664 13.5618 12.8620 13.7796 12.5448 12.1444 30.2110 14.4008 7.4467 4.1906 1.8906 0.9474 0.4610 0.2401 0.1077 0.0606 0.0275 0.8758 0.0478 0.6705 0.8229 0.8443 2.0617 3.4569 3.6388 1.1726 0.9800 0.9877 6.4861 6.7437 8.3710 1.2760 1.0665 1.3603 6.6433 7.1416 8.2133 Glutamine 0.0104 0.0126 0.0286 0.0230 0.0052 0.0122 0.0090 0.0234 0.0395 0.0229 0.0341 0.0323 0.0396 0.0122 0.0084 0.0491 0.0538 0.0459 0.0509 0.0489 0.0201 0.0025 0.0067 0.0080 0.0244 0.0074 0.0049 0.0256 0.0137 0.0305 0.0213 0.0173 0.0036 0.0120 0.0115 0.0128 0.0113 0.0128 0.0143 1.5622 0.7411 0.3627 0.1599 0.0845 0.0441 0.0194 0.0128 0.0078 0.0041 0.0049 0.0157 0.0116 0.0062 0.0255 0.0158 0.0063 0.0186 Glycine 1.2390 1.2476 1.1897 1.3507 1.2257 1.2487 1.1882 1.2561 1.2886 1.0718 1.2412 1.1954 1.2035 1.3579 1.1319 1.2843 1.3649 1.2406 1.2842 1.3269 1.1004 1.4975 1.3874 1.2866 1.2306 1.1911 1.2792 1.4574 1.3154 1.2610 1.3288 1.0258 1.3482 1.2368 0.8749 1.0718 1.1304 1.1640 1.1074 1.0169 1.2475 1.0891 1.1442 1.0351 1.2906 0.9792 1.0969 1.0055 1.5243 0.7546 0.3684 0.1693 0.0770 0.0596 1.4964 1.1480 1.1453 1.1819 1.3806 1.2545 1.4844 1.4538 1.1055 1.4328 1.3857 1.4424 1.4253 1.3786 1.0573 1.1561 1.3159 1.3260 1.3878 1.1599 1.2114 1.1977 1.2219 1.2110 1.2197 1.3494 1.2964 1.1344 1.3859 1.3451 1.3481 1.1760 1.2237 1.1871 ILA 0.0022 0.0025 0.0029 0.0032 0.0022 0.0018 0.0017 0.0016 0.0031 0.0021 0.0027 0.0027 0.0019 0.0022 0.0019 0.0020 0.0027 0.0012 0.0023 0.0023 0.0015 0.0019 0.0016 0.0018 0.0035 0.0026 0.0025 0.0015 0.0021 0.0022 0.0012 0.0017 0.0014 0.0014 0.0017 0.0022 0.0018 0.0025 0.0014 0.0026 0.0020 0.0021 0.0022 0.0017 0.0017 1.5842 0.7217 0.3447 0.1709 0.0869 0.0443 0.0221 0.0119 0.0064 0.0043 0.0015 0.0014 0.0013 0.0012 0.0012 0.0014 0.0015 0.0014 0.0019 0.0018 0.0017 0.0013 0.0015 0.0014 0.0022 0.0016 0.0015 0.0020 0.0012 0.0019 0.0016 0.0019 0.0024 0.0021 0.0018 0.0015 0.0017 0.0020 0.0021 0.0023 Indoleacetic acid 0.0077 0.0120 0.0105 0.0066 0.0056 0.0131 0.0237 0.0157 0.0280 0.0333 0.0259 0.0064 0.0070 0.0077 0.0169 0.0179 0.0172 0.0303 0.0293 0.0264 0.0041 0.0076 0.0115 0.0084 0.0072 0.0073 0.0221 0.0194 0.0210 0.0298 0.0295 0.0277 0.0081 0.0074 0.0074 0.0283 0.0242 0.0268 0.0307 0.0250 0.0246 1.5850 0.7222 0.3511 0.1676 0.0836 0.0420 0.0232 0.0126 0.0072 0.0057 0.0055 0.0176 0.0207 0.0209 0.0055 0.0060 0.0163 0.0177 0.0181 Isobutanate 0.0003 0.0007 0.0011 0.0011 0.0031 0.0020 0.0064 0.0078 0.0087 0.0161 0.0077 0.0029 0.0023 0.0069 0.0032 0.0054 0.0066 0.0132 0.0275 0.0158 0.0173 0.0099 0.0154 0.0498 0.0302 0.0484 0.0620 0.1756 0.0687 0.0151 0.0131 0.0126 0.0522 0.0587 0.0562 0.0516 0.0599 0.0581 3.0024 1.4871 0.7638 0.3818 0.1867 0.0903 0.0424 0.0217 0.0106 0.0030 0.0005 0.0058 0.0009 0.0057 0.0101 0.0110 0.0091 0.0101 0.0091 0.0387 0.0575 0.0393 0.0108 0.0104 0.0092 0.0363 0.0375 0.0358 Isocaproic acid 0.0106 0.0173 0.0186 0.0159 0.0112 0.0116 0.0196 0.0180 0.0101 0.0073 0.0107 0.0077 0.0074 3.1682 1.4528 0.7049 0.3364 0.1679 0.0820 0.0444 0.0233 Isovaleric acid 0.0165 0.0313 0.0326 0.0651 0.1179 0.1019 0.0403 0.0257 0.0657 0.2339 0.1016 0.2023 0.3764 0.2649 0.0481 0.0464 0.0408 0.1058 0.1163 0.1082 0.2337 0.2326 0.2352 0.0162 0.0286 0.0200 0.0479 0.0996 0.0583 0.0450 0.0266 0.0425 0.1462 0.0905 0.1449 0.1414 0.3401 0.1716 0.0467 0.0452 0.0448 0.1636 0.1846 0.1781 0.1649 0.1828 0.1827 3.1105 1.4799 0.7091 0.3478 0.1677 0.0841 0.0490 0.0242 0.0142 0.0094 0.0040 0.0207 0.0037 0.0035 0.0078 0.0149 0.0159 0.0115 0.0435 0.0198 0.0263 0.0287 0.0972 0.1880 0.1413 0.0294 0.0300 0.1025 0.1131 0.0959 Lactic acid 0.0013 0.0245 0.0197 0.0368 0.0340 0.0288 0.0269 0.0220 0.0113 0.0525 0.0537 0.0268 0.0676 0.0559 0.0383 0.0387 0.0279 0.0172 0.0719 0.0589 0.0430 0.0462 0.0464 0.0383 0.0115 0.0155 0.0108 0.0175 0.0256 0.0222 0.0217 0.0240 0.0171 0.0320 0.0300 0.0308 0.0792 0.1353 0.0585 0.0297 0.0237 0.0215 0.0309 0.0254 0.0569 0.0548 0.0453 3.0418 1.4061 0.8555 0.3332 0.1929 0.0796 0.0407 0.0237 0.0148 0.0059 0.0038 0.0073 0.0018 0.0126 0.0056 0.0018 0.0111 0.0124 0.0022 0.0081 0.0020 0.0072 0.0262 0.0167 0.0200 0.0392 0.0293 0.0236 0.0168 0.0087 0.0583 0.0400 0.0170 0.0273 0.0400 0.0130 0.0596 0.0512 0.0235 Ornithine 0.6689 0.8399 0.7263 4.8281 5.4093 5.7757 0.7326 0.9725 1.0410 4.8394 6.3933 4.7912 13.4817 12.1760 12.0436 1.1656 0.9749 1.0663 5.7480 5.7759 5.7758 15.8123 15.4556 16.6235 0.7618 0.9053 0.7893 6.2662 5.8111 5.2593 2.1083 1.0427 1.6333 11.6666 7.4520 9.8759 9.7077 13.2602 11.5466 1.9278 1.7286 1.3273 11.6347 11.0804 10.5066 16.8845 10.1253 10.2611 30.2843 14.2461 7.4635 4.3124 1.9496 1.0562 0.5111 0.2253 0.1148 0.0664 0.0196 0.1220 0.1202 0.0916 0.6614 0.0777 0.0959 0.1020 0.6798 0.7078 0.7643 1.7059 2.9649 3.1103 0.9485 0.9421 0.7269 5.6787 5.8517 7.8629 1.1579 0.7870 1.1080 5.2773 6.2171 7.1124 Propionic acid 0.0044 0.0016 0.0010 0.0062 0.0044 0.0064 0.0103 0.0017 0.0118 0.0111 0.0056 0.0028 0.0003 0.0056 0.0060 0.0005 0.0036 0.0204 0.0837 0.0105 0.0057 0.0003 0.0012 0.0005 3.1108 1.4699 0.7331 0.3594 0.1654 0.0829 0.0377 0.0159 0.0106 0.0057 0.0056 0.0053 0.0022 0.0027 0.0053 0.0002 0.0030 0.0005 0.0014 0.0049 0.0027 0.0046 Succinic acid 0.0008 0.0016 0.0012 0.0004 0.0009 0.0009 0.0019 0.0015 0.0018 0.0030 0.0019 0.0016 0.0030 0.0019 0.0019 0.0028 0.0017 0.0012 0.0017 0.0031 0.0029 0.0017 0.0026 0.0010 0.0007 0.0009 0.0009 0.0011 0.0011 0.0008 0.0012 0.0026 0.0014 0.0011 0.0026 0.0016 0.0025 0.0048 0.0014 0.0032 0.0007 0.0007 0.0021 0.0012 0.0017 0.0008 0.0010 0.0014 3.1429 1.4947 0.6992 0.3369 0.1640 0.0765 0.0410 0.0202 0.0100 0.0065 0.0051 0.0011 0.0008 0.0008 0.0020 0.0006 0.0015 0.0015 0.0008 0.0014 0.0013 0.0014 0.0007 0.0014 0.0011 0.0005 0.0009 0.0007 0.0011 0.0011 0.0008 0.0012 0.0009 0.0029 0.0024 0.0010 0.0030 0.0028 0.0011 0.0018 0.0020 0.0008 0.0010 0.0018 0.0009 Tryptophan 0.4570 0.4653 0.4588 0.4750 0.4491 0.4697 0.4404 0.4575 0.4910 0.4712 0.4865 0.4781 0.4885 0.4733 0.4530 0.4876 0.4876 0.5013 0.4680 0.4754 0.4883 0.5399 0.4799 0.5491 0.4516 0.4467 0.4729 0.4995 0.4970 0.4678 0.5049 0.4128 0.5059 0.4718 0.3496 0.4610 0.4130 0.4994 0.3937 0.4415 0.4825 0.4383 0.4311 0.4553 0.4650 0.5110 0.4272 0.4140 1.5948 0.7114 0.3520 0.1667 0.0858 0.0427 0.0199 0.0113 0.0105 0.5346 0.4495 0.4446 0.4827 0.4833 0.4293 0.4900 0.4983 0.4021 0.5201 0.4981 0.5290 0.5117 0.5591 0.3180 0.3673 0.4828 0.4632 0.4974 0.4597 0.4706 0.4449 0.4874 0.4265 0.4867 0.5271 0.4719 0.4637 0.4953 0.4726 0.4877 0.4413 0.4536 0.4756 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name pubchem_id inchi_key kegg_id other_id other_id_type ri ri_type moverz_quant 2-Me-Butyric acid Acetate-d4 Acetic acid Alanine Arginine Aspartic acid Butanate Citrulline Glutamine Glycine ILA Indoleacetic acid Isobutanate Isocaproic acid Isovaleric acid Lactic acid Ornithine Propionic acid Succinic acid Tryptophan METABOLITES_END #END