#METABOLOMICS WORKBENCH htian_20240722_174316 DATATRACK_ID:5028 STUDY_ID:ST003344 ANALYSIS_ID:AN005479 PROJECT_ID:PR002080 VERSION 1 CREATED_ON 07-24-2024 #PROJECT PR:PROJECT_TITLE Fast Targeted Metabolomics for Analyzing Metabolic Diversity of Bacterial Indole PR:PROJECT_TITLE Derivatives PR:PROJECT_TYPE Bacteria supernatant PR:PROJECT_SUMMARY Disruptions in microbial metabolite interactions due to gut microbiome dysbiosis PR:PROJECT_SUMMARY and metabolomic shifts may contribute to Myalgic Encephalomyelitis/Chronic PR:PROJECT_SUMMARY Fatigue Syndrome (ME/CFS) and other immune-related conditions. The aryl PR:PROJECT_SUMMARY hydrocarbon receptor (AhR), activated upon binding various tryptophan PR:PROJECT_SUMMARY metabolites, modulates host immune responses. This study investigates whether PR:PROJECT_SUMMARY the metabolic diversity—the concentration distribution—of bacterial indole PR:PROJECT_SUMMARY pathway metabolites can differentiate bacterial strains and classify ME/CFS PR:PROJECT_SUMMARY samples. A fast-targeted liquid chromatography-parallel reaction monitoring PR:PROJECT_SUMMARY method with a 4-minute cycle time was developed for large-scale analysis. This PR:PROJECT_SUMMARY method revealed significant metabolic diversity in indole derivatives among B. PR:PROJECT_SUMMARY uniformis strains cultured from human isolates. Principal component analysis PR:PROJECT_SUMMARY identified two major components (PC1, 68.9%; PC2, 18.7%), accounting for 87.6% PR:PROJECT_SUMMARY of the variance and distinguishing two distinct B. uniformis clusters. The PR:PROJECT_SUMMARY metabolic diversity between clusters was particularly evident in the PR:PROJECT_SUMMARY contributions of indole-3-acrylate and indole-3-aldehyde. We explored the PR:PROJECT_SUMMARY metabolic diversity of indole derivatives as potential biomarkers for ME/CFS by PR:PROJECT_SUMMARY analyzing fecal samples from patients and healthy controls using the PR:PROJECT_SUMMARY fast-targeted metabolomics method. An AdaBoost-LOOCV model achieved moderate PR:PROJECT_SUMMARY classification success. Our findings suggest that the local indole diversity of PR:PROJECT_SUMMARY tryptophan degradation is a promising biomarker for differentiating bacterial PR:PROJECT_SUMMARY strains and classifying ME/CFS samples. The fast-targeted metabolomics method PR:PROJECT_SUMMARY and data analysis enable accurate and precise quantitative measurements of PR:PROJECT_SUMMARY metabolic diversity in indole derivatives, facilitating the study of microbial PR:PROJECT_SUMMARY contributions to ME/CFS and other immune-related conditions. PR:INSTITUTE University of Connecticut PR:DEPARTMENT Chemistry PR:LABORATORY Yao Lab PR:LAST_NAME Tian PR:FIRST_NAME Huidi PR:ADDRESS 55 N. Eagleville Road, Unit 3060, Storrs CT 06269 PR:EMAIL huidi.tian@uconn.edu PR:PHONE 8606341143 PR:FUNDING_SOURCE NIH PR:DOI http://dx.doi.org/10.21228/M8RJ9N #STUDY ST:STUDY_TITLE Fast Targeted Metabolomics for Analyzing Metabolic Diversity of Bacterial Indole ST:STUDY_TITLE Derivatives - gut bacterial cultures ST:STUDY_TYPE MS quantitative analysis ST:STUDY_SUMMARY A fast-targeted liquid chromatography-parallel reaction monitoring method with a ST:STUDY_SUMMARY 4-minute cycle time was developed for large-scale analysis. This method revealed ST:STUDY_SUMMARY significant metabolic diversity in indole derivatives among B. uniformis strains ST:STUDY_SUMMARY cultured from human isolates. ST:INSTITUTE University of Connecticut ST:DEPARTMENT Chemistry ST:LABORATORY Yao Lab ST:LAST_NAME Tian ST:FIRST_NAME Huidi ST:ADDRESS 55 N. Eagleville Road, Unit 3060, Storrs CT 06269 ST:EMAIL huidi.tian@uconn.edu ST:PHONE 8606341143 ST:SUBMIT_DATE 2024-07-22 #SUBJECT SU:SUBJECT_TYPE Bacteria SU:SUBJECT_SPECIES Bacteroides uniformis #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS 370 BUni_A7_1 Sample source:Human gut bacteria | Condition:Control Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_A7_1.mzML SUBJECT_SAMPLE_FACTORS 370 BUni_A7_2 Sample source:Human gut bacteria | Condition:Control Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_A7_2.mzML SUBJECT_SAMPLE_FACTORS 370 BUni_A7_3 Sample source:Human gut bacteria | Condition:Control Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_A7_3.mzML SUBJECT_SAMPLE_FACTORS 370 BUni_A8_1 Sample source:Human gut bacteria | Condition:Control Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_A8_1.mzML SUBJECT_SAMPLE_FACTORS 370 BUni_A8_2 Sample source:Human gut bacteria | Condition:Control Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_A8_2.mzML SUBJECT_SAMPLE_FACTORS 370 BUni_A8_3 Sample source:Human gut bacteria | Condition:Control Sex=Male; 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RAW_FILE_NAME(Raw file name)=BUni_D7_3.mzML SUBJECT_SAMPLE_FACTORS 247 BUni_D8_1 Sample source:Human gut bacteria | Condition:Control Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_D8_1.mzML SUBJECT_SAMPLE_FACTORS 247 BUni_D8_2 Sample source:Human gut bacteria | Condition:Control Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_D8_2.mzML SUBJECT_SAMPLE_FACTORS 247 BUni_D8_3 Sample source:Human gut bacteria | Condition:Control Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_D8_3.mzML SUBJECT_SAMPLE_FACTORS 247 BUni_D9_1 Sample source:Human gut bacteria | Condition:Control Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_D9_1.mzML SUBJECT_SAMPLE_FACTORS 247 BUni_D9_2 Sample source:Human gut bacteria | Condition:Control Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_D9_2.mzML SUBJECT_SAMPLE_FACTORS 247 BUni_D9_3 Sample source:Human gut bacteria | Condition:Control Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_D9_3.mzML SUBJECT_SAMPLE_FACTORS 445 BUni_E1_1 Sample source:Human gut bacteria | Condition:Control Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_E1_1.mzML SUBJECT_SAMPLE_FACTORS 445 BUni_E1_2 Sample source:Human gut bacteria | Condition:Control Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_E1_2.mzML SUBJECT_SAMPLE_FACTORS 445 BUni_E1_3 Sample source:Human gut bacteria | Condition:Control Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_E1_3.mzML SUBJECT_SAMPLE_FACTORS 445 BUni_E2_1 Sample source:Human gut bacteria | Condition:Control Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_E2_1.mzML SUBJECT_SAMPLE_FACTORS 445 BUni_E2_2 Sample source:Human gut bacteria | Condition:Control Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_E2_2.mzML SUBJECT_SAMPLE_FACTORS 445 BUni_E2_3 Sample source:Human gut bacteria | Condition:Control Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_E2_3.mzML SUBJECT_SAMPLE_FACTORS 445 BUni_E3_1 Sample source:Human gut bacteria | Condition:Control Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_E3_1.mzML SUBJECT_SAMPLE_FACTORS 445 BUni_E3_2 Sample source:Human gut bacteria | Condition:Control Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_E3_2.mzML SUBJECT_SAMPLE_FACTORS 445 BUni_E3_3 Sample source:Human gut bacteria | Condition:Control Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_E3_3.mzML SUBJECT_SAMPLE_FACTORS 234 BUni_E4_1 Sample source:Human gut bacteria | Condition:Control Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_E4_1.mzML SUBJECT_SAMPLE_FACTORS 234 BUni_E4_2 Sample source:Human gut bacteria | Condition:Control Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_E4_2.mzML SUBJECT_SAMPLE_FACTORS 234 BUni_E4_3 Sample source:Human gut bacteria | Condition:Control Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_E4_3.mzML SUBJECT_SAMPLE_FACTORS 234 BUni_E5_1 Sample source:Human gut bacteria | Condition:Control Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_E5_1.mzML SUBJECT_SAMPLE_FACTORS 234 BUni_E5_2 Sample source:Human gut bacteria | Condition:Control Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_E5_2.mzML SUBJECT_SAMPLE_FACTORS 234 BUni_E5_3 Sample source:Human gut bacteria | Condition:Control Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_E5_3.mzML SUBJECT_SAMPLE_FACTORS 234 BUni_E6_1 Sample source:Human gut bacteria | Condition:Control Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_E6_1.mzML SUBJECT_SAMPLE_FACTORS 234 BUni_E6_2 Sample source:Human gut bacteria | Condition:Control Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_E6_2.mzML SUBJECT_SAMPLE_FACTORS 234 BUni_E6_3 Sample source:Human gut bacteria | Condition:Control Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_E6_3.mzML SUBJECT_SAMPLE_FACTORS 550 BUni_E7_1 Sample source:Human gut bacteria | Condition:Control Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_E7_1.mzML SUBJECT_SAMPLE_FACTORS 550 BUni_E7_2 Sample source:Human gut bacteria | Condition:Control Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_E7_2.mzML SUBJECT_SAMPLE_FACTORS 550 BUni_E7_3 Sample source:Human gut bacteria | Condition:Control Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_E7_3.mzML SUBJECT_SAMPLE_FACTORS 550 BUni_E8_1 Sample source:Human gut bacteria | Condition:Control Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_E8_1.mzML SUBJECT_SAMPLE_FACTORS 550 BUni_E8_2 Sample source:Human gut bacteria | Condition:Control Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_E8_2.mzML SUBJECT_SAMPLE_FACTORS 550 BUni_E8_3 Sample source:Human gut bacteria | Condition:Control Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_E8_3.mzML SUBJECT_SAMPLE_FACTORS 550 BUni_E9_1 Sample source:Human gut bacteria | Condition:Control Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_E9_1.mzML SUBJECT_SAMPLE_FACTORS 550 BUni_E9_2 Sample source:Human gut bacteria | Condition:Control Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_E9_2.mzML SUBJECT_SAMPLE_FACTORS 550 BUni_E9_3 Sample source:Human gut bacteria | Condition:Control Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_E9_3.mzML SUBJECT_SAMPLE_FACTORS 390 BUni_F4_1 Sample source:Human gut bacteria | Condition:Control Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_F4_1.mzML SUBJECT_SAMPLE_FACTORS 390 BUni_F4_2 Sample source:Human gut bacteria | Condition:Control Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_F4_2.mzML SUBJECT_SAMPLE_FACTORS 390 BUni_F4_3 Sample source:Human gut bacteria | Condition:Control Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_F4_3.mzML SUBJECT_SAMPLE_FACTORS 390 BUni_F5_1 Sample source:Human gut bacteria | Condition:Control Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_F5_1.mzML SUBJECT_SAMPLE_FACTORS 390 BUni_F5_2 Sample source:Human gut bacteria | Condition:Control Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_F5_2.mzML SUBJECT_SAMPLE_FACTORS 390 BUni_F5_3 Sample source:Human gut bacteria | Condition:Control Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_F5_3.mzML SUBJECT_SAMPLE_FACTORS 390 BUni_F6_1 Sample source:Human gut bacteria | Condition:Control Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_F6_1.mzML SUBJECT_SAMPLE_FACTORS 390 BUni_F6_2 Sample source:Human gut bacteria | Condition:Control Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_F6_2.mzML SUBJECT_SAMPLE_FACTORS 390 BUni_F6_3 Sample source:Human gut bacteria | Condition:Control Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_F6_3.mzML SUBJECT_SAMPLE_FACTORS 320 BUni_G1_1 Sample source:Human gut bacteria | Condition:Control Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_G1_1.mzML SUBJECT_SAMPLE_FACTORS 320 BUni_G1_2 Sample source:Human gut bacteria | Condition:Control Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_G1_2.mzML SUBJECT_SAMPLE_FACTORS 320 BUni_G1_3 Sample source:Human gut bacteria | Condition:Control Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_G1_3.mzML SUBJECT_SAMPLE_FACTORS 320 BUni_G2_1 Sample source:Human gut bacteria | Condition:Control Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_G2_1.mzML SUBJECT_SAMPLE_FACTORS 320 BUni_G2_2 Sample source:Human gut bacteria | Condition:Control Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_G2_2.mzML SUBJECT_SAMPLE_FACTORS 320 BUni_G2_3 Sample source:Human gut bacteria | Condition:Control Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_G2_3.mzML SUBJECT_SAMPLE_FACTORS 320 BUni_G3_1 Sample source:Human gut bacteria | Condition:Control Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_G3_1.mzML SUBJECT_SAMPLE_FACTORS 320 BUni_G3_2 Sample source:Human gut bacteria | Condition:Control Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_G3_2.mzML SUBJECT_SAMPLE_FACTORS 320 BUni_G3_3 Sample source:Human gut bacteria | Condition:Control Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_G3_3.mzML SUBJECT_SAMPLE_FACTORS 417 BUni_G7_1 Sample source:Human gut bacteria | Condition:Control Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_G7_1.mzML SUBJECT_SAMPLE_FACTORS 417 BUni_G7_2 Sample source:Human gut bacteria | Condition:Control Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_G7_2.mzML SUBJECT_SAMPLE_FACTORS 417 BUni_G7_3 Sample source:Human gut bacteria | Condition:Control Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_G7_3.mzML SUBJECT_SAMPLE_FACTORS 417 BUni_G8_1 Sample source:Human gut bacteria | Condition:Control Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_G8_1.mzML SUBJECT_SAMPLE_FACTORS 417 BUni_G8_2 Sample source:Human gut bacteria | Condition:Control Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_G8_2.mzML SUBJECT_SAMPLE_FACTORS 417 BUni_G8_3 Sample source:Human gut bacteria | Condition:Control Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_G8_3.mzML SUBJECT_SAMPLE_FACTORS 417 BUni_G9_1 Sample source:Human gut bacteria | Condition:Control Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_G9_1.mzML SUBJECT_SAMPLE_FACTORS 417 BUni_G9_2 Sample source:Human gut bacteria | Condition:Control Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_G9_2.mzML SUBJECT_SAMPLE_FACTORS 417 BUni_G9_3 Sample source:Human gut bacteria | Condition:Control Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_G9_3.mzML SUBJECT_SAMPLE_FACTORS 212 BUni_A1_1 Sample source:Human gut bacteria | Condition:MECFS Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_A1_1.mzML SUBJECT_SAMPLE_FACTORS 212 BUni_A1_2 Sample source:Human gut bacteria | Condition:MECFS Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_A1_2.mzML SUBJECT_SAMPLE_FACTORS 212 BUni_A1_3 Sample source:Human gut bacteria | Condition:MECFS Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_A1_3.mzML SUBJECT_SAMPLE_FACTORS 212 BUni_A2_1 Sample source:Human gut bacteria | Condition:MECFS Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_A2_1.mzML SUBJECT_SAMPLE_FACTORS 212 BUni_A2_2 Sample source:Human gut bacteria | Condition:MECFS Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_A2_2.mzML SUBJECT_SAMPLE_FACTORS 212 BUni_A2_3 Sample source:Human gut bacteria | Condition:MECFS Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_A2_3.mzML SUBJECT_SAMPLE_FACTORS 212 BUni_A3_1 Sample source:Human gut bacteria | Condition:MECFS Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_A3_1.mzML SUBJECT_SAMPLE_FACTORS 212 BUni_A3_2 Sample source:Human gut bacteria | Condition:MECFS Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_A3_2.mzML SUBJECT_SAMPLE_FACTORS 212 BUni_A3_3 Sample source:Human gut bacteria | Condition:MECFS Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_A3_3.mzML SUBJECT_SAMPLE_FACTORS 207 BUni_A4_1 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_A4_1.mzML SUBJECT_SAMPLE_FACTORS 207 BUni_A4_2 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_A4_2.mzML SUBJECT_SAMPLE_FACTORS 207 BUni_A4_3 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_A4_3.mzML SUBJECT_SAMPLE_FACTORS 207 BUni_A5_1 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_A5_1.mzML SUBJECT_SAMPLE_FACTORS 207 BUni_A5_2 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_A5_2.mzML SUBJECT_SAMPLE_FACTORS 207 BUni_A5_3 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_A5_3.mzML SUBJECT_SAMPLE_FACTORS 207 BUni_A6_1 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_A6_1.mzML SUBJECT_SAMPLE_FACTORS 207 BUni_A6_2 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_A6_2.mzML SUBJECT_SAMPLE_FACTORS 207 BUni_A6_3 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_A6_3.mzML SUBJECT_SAMPLE_FACTORS 348 BUni_B4_1 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_B4_1.mzML SUBJECT_SAMPLE_FACTORS 348 BUni_B4_2 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_B4_2.mzML SUBJECT_SAMPLE_FACTORS 348 BUni_B4_3 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_B4_3.mzML SUBJECT_SAMPLE_FACTORS 348 BUni_B5_1 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_B5_1.mzML SUBJECT_SAMPLE_FACTORS 348 BUni_B5_2 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_B5_2.mzML SUBJECT_SAMPLE_FACTORS 348 BUni_B5_3 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_B5_3.mzML SUBJECT_SAMPLE_FACTORS 348 BUni_B6_1 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_B6_1.mzML SUBJECT_SAMPLE_FACTORS 348 BUni_B6_2 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_B6_2.mzML SUBJECT_SAMPLE_FACTORS 348 BUni_B6_3 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_B6_3.mzML SUBJECT_SAMPLE_FACTORS 560 BUni_B7_1 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_B7_1.mzML SUBJECT_SAMPLE_FACTORS 560 BUni_B7_2 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_B7_2.mzML SUBJECT_SAMPLE_FACTORS 560 BUni_B7_3 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_B7_3.mzML SUBJECT_SAMPLE_FACTORS 560 BUni_B8_1 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_B8_1.mzML SUBJECT_SAMPLE_FACTORS 560 BUni_B8_2 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_B8_2.mzML SUBJECT_SAMPLE_FACTORS 560 BUni_B8_3 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_B8_3.mzML SUBJECT_SAMPLE_FACTORS 560 BUni_B9_1 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_B9_1.mzML SUBJECT_SAMPLE_FACTORS 560 BUni_B9_2 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_B9_2.mzML SUBJECT_SAMPLE_FACTORS 560 BUni_B9_3 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_B9_3.mzML SUBJECT_SAMPLE_FACTORS 203 BUni_C1_1 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_C1_1.mzML SUBJECT_SAMPLE_FACTORS 203 BUni_C1_2 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_C1_2.mzML SUBJECT_SAMPLE_FACTORS 203 BUni_C1_3 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_C1_3.mzML SUBJECT_SAMPLE_FACTORS 203 BUni_C2_1 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_C2_1.mzML SUBJECT_SAMPLE_FACTORS 203 BUni_C2_2 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_C2_2.mzML SUBJECT_SAMPLE_FACTORS 203 BUni_C2_3 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_C2_3.mzML SUBJECT_SAMPLE_FACTORS 203 BUni_C3_1 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_C3_1.mzML SUBJECT_SAMPLE_FACTORS 203 BUni_C3_2 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_C3_2.mzML SUBJECT_SAMPLE_FACTORS 203 BUni_C3_3 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_C3_3.mzML SUBJECT_SAMPLE_FACTORS 304 BUni_D4_1 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_D4_1.mzML SUBJECT_SAMPLE_FACTORS 304 BUni_D4_2 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_D4_2.mzML SUBJECT_SAMPLE_FACTORS 304 BUni_D4_3 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_D4_3.mzML SUBJECT_SAMPLE_FACTORS 304 BUni_D5_1 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_D5_1.mzML SUBJECT_SAMPLE_FACTORS 304 BUni_D5_2 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_D5_2.mzML SUBJECT_SAMPLE_FACTORS 304 BUni_D5_3 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_D5_3.mzML SUBJECT_SAMPLE_FACTORS 304 BUni_D6_1 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_D6_1.mzML SUBJECT_SAMPLE_FACTORS 304 BUni_D6_2 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_D6_2.mzML SUBJECT_SAMPLE_FACTORS 304 BUni_D6_3 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_D6_3.mzML SUBJECT_SAMPLE_FACTORS 284 BUni_F1_1 Sample source:Human gut bacteria | Condition:MECFS Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_F1_1.mzML SUBJECT_SAMPLE_FACTORS 284 BUni_F1_2 Sample source:Human gut bacteria | Condition:MECFS Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_F1_2.mzML SUBJECT_SAMPLE_FACTORS 284 BUni_F1_3 Sample source:Human gut bacteria | Condition:MECFS Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_F1_3.mzML SUBJECT_SAMPLE_FACTORS 284 BUni_F2_1 Sample source:Human gut bacteria | Condition:MECFS Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_F2_1.mzML SUBJECT_SAMPLE_FACTORS 284 BUni_F2_2 Sample source:Human gut bacteria | Condition:MECFS Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_F2_2.mzML SUBJECT_SAMPLE_FACTORS 284 BUni_F2_3 Sample source:Human gut bacteria | Condition:MECFS Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_F2_3.mzML SUBJECT_SAMPLE_FACTORS 284 BUni_F3_1 Sample source:Human gut bacteria | Condition:MECFS Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_F3_1.mzML SUBJECT_SAMPLE_FACTORS 284 BUni_F3_2 Sample source:Human gut bacteria | Condition:MECFS Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_F3_2.mzML SUBJECT_SAMPLE_FACTORS 284 BUni_F3_3 Sample source:Human gut bacteria | Condition:MECFS Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_F3_3.mzML SUBJECT_SAMPLE_FACTORS 511 BUni_F7_1 Sample source:Human gut bacteria | Condition:MECFS Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_F7_1.mzML SUBJECT_SAMPLE_FACTORS 511 BUni_F7_2 Sample source:Human gut bacteria | Condition:MECFS Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_F7_2.mzML SUBJECT_SAMPLE_FACTORS 511 BUni_F7_3 Sample source:Human gut bacteria | Condition:MECFS Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_F7_3.mzML SUBJECT_SAMPLE_FACTORS 511 BUni_F8_1 Sample source:Human gut bacteria | Condition:MECFS Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_F8_1.mzML SUBJECT_SAMPLE_FACTORS 511 BUni_F8_2 Sample source:Human gut bacteria | Condition:MECFS Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_F8_2.mzML SUBJECT_SAMPLE_FACTORS 511 BUni_F8_3 Sample source:Human gut bacteria | Condition:MECFS Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_F8_3.mzML SUBJECT_SAMPLE_FACTORS 511 BUni_F9_1 Sample source:Human gut bacteria | Condition:MECFS Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_F9_1.mzML SUBJECT_SAMPLE_FACTORS 511 BUni_F9_2 Sample source:Human gut bacteria | Condition:MECFS Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_F9_2.mzML SUBJECT_SAMPLE_FACTORS 511 BUni_F9_3 Sample source:Human gut bacteria | Condition:MECFS Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_F9_3.mzML SUBJECT_SAMPLE_FACTORS 397 BUni_G4_1 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_G4_1.mzML SUBJECT_SAMPLE_FACTORS 397 BUni_G4_2 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_G4_2.mzML SUBJECT_SAMPLE_FACTORS 397 BUni_G4_3 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_G4_3.mzML SUBJECT_SAMPLE_FACTORS 397 BUni_G5_1 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_G5_1.mzML SUBJECT_SAMPLE_FACTORS 397 BUni_G5_2 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_G5_2.mzML SUBJECT_SAMPLE_FACTORS 397 BUni_G5_3 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_G5_3.mzML SUBJECT_SAMPLE_FACTORS 397 BUni_G6_1 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_G6_1.mzML SUBJECT_SAMPLE_FACTORS 397 BUni_G6_2 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_G6_2.mzML SUBJECT_SAMPLE_FACTORS 397 BUni_G6_3 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_G6_3.mzML SUBJECT_SAMPLE_FACTORS 276 BUni_H1_1 Sample source:Human gut bacteria | Condition:MECFS Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_H1_1.mzML SUBJECT_SAMPLE_FACTORS 276 BUni_H1_2 Sample source:Human gut bacteria | Condition:MECFS Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_H1_2.mzML SUBJECT_SAMPLE_FACTORS 276 BUni_H1_3 Sample source:Human gut bacteria | Condition:MECFS Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_H1_3.mzML SUBJECT_SAMPLE_FACTORS 276 BUni_H2_1 Sample source:Human gut bacteria | Condition:MECFS Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_H2_1.mzML SUBJECT_SAMPLE_FACTORS 276 BUni_H2_2 Sample source:Human gut bacteria | Condition:MECFS Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_H2_2.mzML SUBJECT_SAMPLE_FACTORS 276 BUni_H2_3 Sample source:Human gut bacteria | Condition:MECFS Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_H2_3.mzML SUBJECT_SAMPLE_FACTORS 276 BUni_H3_1 Sample source:Human gut bacteria | Condition:MECFS Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_H3_1.mzML SUBJECT_SAMPLE_FACTORS 276 BUni_H3_2 Sample source:Human gut bacteria | Condition:MECFS Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_H3_2.mzML SUBJECT_SAMPLE_FACTORS 276 BUni_H3_3 Sample source:Human gut bacteria | Condition:MECFS Sex=Male; RAW_FILE_NAME(Raw file name)=BUni_H3_3.mzML SUBJECT_SAMPLE_FACTORS 319 BUni_H4_1 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_H4_1.mzML SUBJECT_SAMPLE_FACTORS 319 BUni_H4_2 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_H4_2.mzML SUBJECT_SAMPLE_FACTORS 319 BUni_H4_3 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_H4_3.mzML SUBJECT_SAMPLE_FACTORS 319 BUni_H5_1 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_H5_1.mzML SUBJECT_SAMPLE_FACTORS 319 BUni_H5_2 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_H5_2.mzML SUBJECT_SAMPLE_FACTORS 319 BUni_H5_3 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_H5_3.mzML SUBJECT_SAMPLE_FACTORS 319 BUni_H6_1 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_H6_1.mzML SUBJECT_SAMPLE_FACTORS 319 BUni_H6_2 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_H6_2.mzML SUBJECT_SAMPLE_FACTORS 319 BUni_H6_3 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_H6_3.mzML SUBJECT_SAMPLE_FACTORS 399 BUni_H7_1 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_H7_1.mzML SUBJECT_SAMPLE_FACTORS 399 BUni_H7_2 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_H7_2.mzML SUBJECT_SAMPLE_FACTORS 399 BUni_H7_3 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_H7_3.mzML SUBJECT_SAMPLE_FACTORS 399 BUni_H8_1 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_H8_1.mzML SUBJECT_SAMPLE_FACTORS 399 BUni_H8_2 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_H8_2.mzML SUBJECT_SAMPLE_FACTORS 399 BUni_H8_3 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_H8_3.mzML SUBJECT_SAMPLE_FACTORS 399 BUni_H9_1 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_H9_1.mzML SUBJECT_SAMPLE_FACTORS 399 BUni_H9_2 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_H9_2.mzML SUBJECT_SAMPLE_FACTORS 399 BUni_H9_3 Sample source:Human gut bacteria | Condition:MECFS Sex=Female; RAW_FILE_NAME(Raw file name)=BUni_H9_3.mzML #COLLECTION CO:COLLECTION_SUMMARY Bacterial strains were cultured from the microbiota of healthy volunteers or CO:COLLECTION_SUMMARY ME/CFS patients at Jackson Laboratory for Genomic Medicine (Farmington, CT). The CO:COLLECTION_SUMMARY derived bacteria were cultured overnight in tryptic soy broth (TSB) media or TSB CO:COLLECTION_SUMMARY media supplemented with vitamin K (0.1 mg/L) and hemin (5 mg/L) to saturation CO:COLLECTION_SUMMARY under anaerobic or aerobic conditions at 37℃, as appropriate. OD600 was used CO:COLLECTION_SUMMARY to estimate cell density, and 1 mL of cells were pelleted. The supernatant was CO:COLLECTION_SUMMARY filtered through a 0.22-µm filter to prepare cell-free culture supernatants, CO:COLLECTION_SUMMARY which were then stored at -80℃. CO:SAMPLE_TYPE Bacterial cells CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY No treatment. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Solid phase extraction in plate format. High-throughput reversed-phase SPE was SP:SAMPLEPREP_SUMMARY performed using a Targa C18 (Higgins Analytical, The Nest Group) 96-well plate SP:SAMPLEPREP_SUMMARY format. Each well was conditioned with 200 µL of methanol three times with SP:SAMPLEPREP_SUMMARY centrifugation at 600 × g for 2 minutes, followed by equilibration with 200 µL SP:SAMPLEPREP_SUMMARY of water (2 minutes at 800 × g) three times. The samples were loaded into each SP:SAMPLEPREP_SUMMARY prepared well with centrifugation at 800 × g for 2 minutes. After loading, each SP:SAMPLEPREP_SUMMARY well was washed with 200 µL of water five times. The sample was eluted with 200 SP:SAMPLEPREP_SUMMARY µL of 80% acetonitrile in water (v/v), and the eluates were collected in a SP:SAMPLEPREP_SUMMARY 96-deep well plate (800 × g for 2 minutes). The resulting solution was dried SP:SAMPLEPREP_SUMMARY and reconstituted with 2% acetonitrile for further analysis. SP:PROCESSING_STORAGE_CONDITIONS 4℃ SP:EXTRACT_STORAGE -80℃ #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Targeted quantitation of selected indole compounds was performed on a quadrupole CH:CHROMATOGRAPHY_SUMMARY orbitrap mass spectrometer (Exploris 480, Thermo Fisher Scientific) with an CH:CHROMATOGRAPHY_SUMMARY H-ESI ionization source in positive ion mode. The front-end separation utilized CH:CHROMATOGRAPHY_SUMMARY a reversed-phase column (CORTECS UPLC T3, 2.1 x 50 mm, 1.6 μm particle size, CH:CHROMATOGRAPHY_SUMMARY Waters). The autosampler temperature was maintained at 4.0 °C, and the column CH:CHROMATOGRAPHY_SUMMARY oven temperature was set at 40.0 °C. The sample injection volume was 5 µL. The CH:CHROMATOGRAPHY_SUMMARY mobile phase flow rate was 1 mL/min. Solvent A was 0.1% FA in water, and solvent CH:CHROMATOGRAPHY_SUMMARY B was 0.1% FA in MeCN. The gradient (% for Solvent B at runtime) was as follows: CH:CHROMATOGRAPHY_SUMMARY 1% from -1.5 to 0 minutes for equilibration, 1% from 0 to 0.2 minutes, 65% at CH:CHROMATOGRAPHY_SUMMARY 1.7 minutes, 90% from 1.8 to 2.2 minutes, and 1% from 2.3 to 2.5 minutes. CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Waters CORTECS UPLC T3 (50 x 2.1mm, 1.6um) CH:COLUMN_PRESSURE 8000 psi CH:COLUMN_TEMPERATURE 40 CH:FLOW_GRADIENT 1% from -1.5 to 0 minutes for equilibration, 1% from 0 to 0.2 minutes, 65% at CH:FLOW_GRADIENT 1.7 minutes, 90% from 1.8 to 2.2 minutes, and 1% from 2.3 to 2.5 minutes CH:FLOW_RATE 1 mL/min CH:SOLVENT_A 100% water; 0.1% formic acid CH:SOLVENT_B 100% acetonitrile; 0.1% formic acid CH:CHROMATOGRAPHY_TYPE Reversed phase #ANALYSIS AN:LABORATORY_NAME Yao Lab AN:ANALYSIS_TYPE MS AN:ANALYSIS_PROTOCOL_FILE HT_Targeted_MS_method.pdf AN:OPERATOR_NAME Huidi Tian AN:DETECTOR_TYPE Orbitrap #MS MS:INSTRUMENT_NAME Thermo Orbitrap Exploris 480 MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:MS_COMMENTS Major mass spectrometer parameters were as follows: spray voltage at 2750 V, MS:MS_COMMENTS sheath gas at 60 arb, aux gas at 10 arb, sweep gas at 1 arb, ion transfer tube MS:MS_COMMENTS temperature at 325 ℃, and vaporizer temperature at 400 ℃. The isolation MS:MS_COMMENTS window was set to 0.4 m/z without isolation offset. The collision energy was MS:MS_COMMENTS fixed; the normalized collision energy for each compound is listed in Table 1. MS:MS_COMMENTS PRM acquisition for each compound was scheduled, with optimized collision MS:MS_COMMENTS energy. The orbitrap resolution was set to 15,000, with the scan range mode set MS:MS_COMMENTS to auto. The AGC target was standard, the maximum injection time mode was auto, MS:MS_COMMENTS the intensity threshold was 1e4, dynamic exclusion was 6 seconds, and microscan MS:MS_COMMENTS was set to 1. Data were collected in profile mode, and quantitation was achieved MS:MS_COMMENTS using Skyline. MS:ION_MODE POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS uM MS_METABOLITE_DATA_START Samples BUni_A7_1 BUni_A7_2 BUni_A7_3 BUni_A8_1 BUni_A8_2 BUni_A8_3 BUni_A9_1 BUni_A9_2 BUni_A9_3 BUni_B1_1 BUni_B1_2 BUni_B1_3 BUni_B2_1 BUni_B2_2 BUni_B2_3 BUni_B3_1 BUni_B3_2 BUni_B3_3 BUni_C4_1 BUni_C4_2 BUni_C4_3 BUni_C5_1 BUni_C5_2 BUni_C5_3 BUni_C6_1 BUni_C6_2 BUni_C6_3 BUni_C7_1 BUni_C7_2 BUni_C7_3 BUni_C8_1 BUni_C8_2 BUni_C8_3 BUni_C9_1 BUni_C9_2 BUni_C9_3 BUni_D1_1 BUni_D1_2 BUni_D1_3 BUni_D2_1 BUni_D2_2 BUni_D2_3 BUni_D3_1 BUni_D3_2 BUni_D3_3 BUni_D7_1 BUni_D7_2 BUni_D7_3 BUni_D8_1 BUni_D8_2 BUni_D8_3 BUni_D9_1 BUni_D9_2 BUni_D9_3 BUni_E1_1 BUni_E1_2 BUni_E1_3 BUni_E2_1 BUni_E2_2 BUni_E2_3 BUni_E3_1 BUni_E3_2 BUni_E3_3 BUni_E4_1 BUni_E4_2 BUni_E4_3 BUni_E5_1 BUni_E5_2 BUni_E5_3 BUni_E6_1 BUni_E6_2 BUni_E6_3 BUni_E7_1 BUni_E7_2 BUni_E7_3 BUni_E8_1 BUni_E8_2 BUni_E8_3 BUni_E9_1 BUni_E9_2 BUni_E9_3 BUni_F4_1 BUni_F4_2 BUni_F4_3 BUni_F5_1 BUni_F5_2 BUni_F5_3 BUni_F6_1 BUni_F6_2 BUni_F6_3 BUni_G1_1 BUni_G1_2 BUni_G1_3 BUni_G2_1 BUni_G2_2 BUni_G2_3 BUni_G3_1 BUni_G3_2 BUni_G3_3 BUni_G7_1 BUni_G7_2 BUni_G7_3 BUni_G8_1 BUni_G8_2 BUni_G8_3 BUni_G9_1 BUni_G9_2 BUni_G9_3 BUni_A1_1 BUni_A1_2 BUni_A1_3 BUni_A2_1 BUni_A2_2 BUni_A2_3 BUni_A3_1 BUni_A3_2 BUni_A3_3 BUni_A4_1 BUni_A4_2 BUni_A4_3 BUni_A5_1 BUni_A5_2 BUni_A5_3 BUni_A6_1 BUni_A6_2 BUni_A6_3 BUni_B4_1 BUni_B4_2 BUni_B4_3 BUni_B5_1 BUni_B5_2 BUni_B5_3 BUni_B6_1 BUni_B6_2 BUni_B6_3 BUni_B7_1 BUni_B7_2 BUni_B7_3 BUni_B8_1 BUni_B8_2 BUni_B8_3 BUni_B9_1 BUni_B9_2 BUni_B9_3 BUni_C1_1 BUni_C1_2 BUni_C1_3 BUni_C2_1 BUni_C2_2 BUni_C2_3 BUni_C3_1 BUni_C3_2 BUni_C3_3 BUni_D4_1 BUni_D4_2 BUni_D4_3 BUni_D5_1 BUni_D5_2 BUni_D5_3 BUni_D6_1 BUni_D6_2 BUni_D6_3 BUni_F1_1 BUni_F1_2 BUni_F1_3 BUni_F2_1 BUni_F2_2 BUni_F2_3 BUni_F3_1 BUni_F3_2 BUni_F3_3 BUni_F7_1 BUni_F7_2 BUni_F7_3 BUni_F8_1 BUni_F8_2 BUni_F8_3 BUni_F9_1 BUni_F9_2 BUni_F9_3 BUni_G4_1 BUni_G4_2 BUni_G4_3 BUni_G5_1 BUni_G5_2 BUni_G5_3 BUni_G6_1 BUni_G6_2 BUni_G6_3 BUni_H1_1 BUni_H1_2 BUni_H1_3 BUni_H2_1 BUni_H2_2 BUni_H2_3 BUni_H3_1 BUni_H3_2 BUni_H3_3 BUni_H4_1 BUni_H4_2 BUni_H4_3 BUni_H5_1 BUni_H5_2 BUni_H5_3 BUni_H6_1 BUni_H6_2 BUni_H6_3 BUni_H7_1 BUni_H7_2 BUni_H7_3 BUni_H8_1 BUni_H8_2 BUni_H8_3 BUni_H9_1 BUni_H9_2 BUni_H9_3 Factors Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:Control Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Sample source:Human gut bacteria | Condition:MECFS Indole-3-acetamide 0.0086 0.0160 0.0104 0.0119 0.0177 0.0130 0.0136 0.0122 0.0107 0.0128 0.0173 0.0115 0.0153 0.0173 0.0076 0.0141 0.0161 0.0162 0.0138 0.0124 0.0148 0.0086 0.0102 0.0115 0.0114 0.0092 0.0127 0.0071 0.0098 0.0148 0.0106 0.0094 0.0106 0.0095 0.0102 0.0130 0.0148 0.0146 0.0186 0.0189 0.0093 0.0161 0.0119 0.0099 0.0161 0.0181 0.0103 0.0167 0.0121 0.0161 0.0169 0.0103 0.0106 0.0207 0.0222 0.0115 0.0130 0.0214 0.0107 0.0168 0.0116 0.0134 0.0127 0.0116 0.0140 0.0124 0.0120 0.0095 0.0200 0.0289 0.0195 0.0202 0.0186 0.0156 0.0250 0.0204 0.0113 0.0133 0.0166 0.0135 0.0211 0.0201 0.0183 0.0199 0.0126 0.0106 0.0164 0.0202 0.0105 0.0164 0.0179 0.0166 0.0174 0.0145 0.0107 0.0154 0.0112 0.0117 0.0166 0.0164 0.0127 0.0162 0.0164 0.0163 0.0243 0.0224 0.0147 0.0183 0.0195 0.0119 0.0120 0.0182 0.0176 0.0213 0.0210 0.0228 0.0210 0.0262 0.0138 0.0167 0.0248 0.0139 0.0127 0.0122 0.0118 0.0112 0.0130 0.0189 0.0126 0.0210 0.0080 0.0126 0.0128 0.0123 0.0151 0.0263 0.0150 0.0243 0.0149 0.0153 0.0128 0.0170 0.0117 0.0216 0.0226 0.0133 0.0122 0.0191 0.0129 0.0091 0.0235 0.0139 0.0100 0.0168 0.0121 0.0168 0.0172 0.0137 0.0177 0.0118 0.0110 0.0124 0.0239 0.0214 0.0196 0.0131 0.0106 0.0148 0.0105 0.0209 0.0143 0.0169 0.0147 0.0162 0.0141 0.0149 0.0197 0.0104 0.0119 0.0225 0.0194 0.0203 0.0194 0.0123 0.0145 0.0169 0.0152 0.0115 0.0154 0.0165 0.0140 0.0034 0.0159 0.0178 0.0142 0.0201 0.0173 0.0252 0.0145 0.0205 0.0215 0.0229 0.0139 0.0221 0.0112 0.0152 0.0164 0.0135 0.0113 0.0213 0.0179 0.0112 0.0226 0.0146 0.0106 0.0157 Indole-3-acetic acid 0.6169 0.6539 0.3930 0.2737 0.4492 0.2917 0.4754 0.2247 0.1887 0.1047 0.1107 0.1653 0.3658 0.2735 0.1211 0.2182 0.1218 0.1143 0.1946 0.1635 0.1791 0.2655 0.3452 0.3055 0.4164 0.3672 0.3845 0.4671 0.4598 0.6446 0.3128 0.1844 0.4956 0.5810 0.4679 0.5704 0.2437 0.4244 0.4467 0.1774 0.1378 0.1249 0.4244 0.2896 0.3633 0.2622 0.1257 0.2685 0.2619 0.2572 0.3111 0.6116 0.4675 0.5892 0.2135 0.1425 0.2547 0.2685 0.1704 0.0941 0.2459 0.3496 0.2743 0.4780 0.3942 0.3422 0.4895 0.4224 0.3640 0.4256 0.3438 0.2818 0.3570 0.2257 0.3686 0.5742 0.3166 0.5232 0.2635 0.2066 0.3246 0.8330 0.5272 0.6508 0.8867 0.3606 0.5234 0.7101 0.4221 0.6458 0.2704 0.2854 0.2861 0.1379 0.1715 0.2047 0.6198 0.5469 0.4799 0.4722 0.3302 0.3735 0.2293 0.3111 0.3130 0.2563 0.1321 0.1578 0.1210 0.2368 0.1621 0.2103 0.2494 0.1757 0.3067 0.2379 0.2589 0.2352 0.1481 0.2979 0.6731 0.4977 0.5407 0.3292 0.3485 0.4027 0.1178 0.3649 0.2462 0.3529 0.1766 0.1556 0.4285 0.3204 0.4704 0.8904 0.4525 0.4824 0.4689 0.7751 0.5771 0.3516 0.2132 0.4396 0.3495 0.1589 0.1614 0.1384 0.1071 0.2944 0.2225 0.1740 0.2572 0.6900 0.5538 0.6935 0.5873 0.6199 0.5030 0.3114 0.2264 0.3675 0.4581 0.4063 0.2554 0.7445 0.4721 0.4992 0.2088 0.3581 0.2960 0.7023 0.3887 0.3557 0.7341 0.7652 0.6561 0.5735 0.5674 0.7849 0.3358 0.1961 0.3885 0.5450 0.5466 0.5526 0.5866 0.4217 0.4661 0.0646 0.1119 0.1116 0.0518 0.1611 0.2311 0.1983 0.0688 0.1469 0.2591 0.2928 0.2723 0.4240 0.3182 0.4280 0.3094 0.5964 0.5803 0.2523 0.2225 0.1416 0.2370 0.3907 0.3232 0.1217 0.2241 0.1391 Indole-3-acrylic acid 0.5508 1.1388 0.4250 0.1385 0.2605 0.2258 0.3200 0.2872 0.1683 0.0883 0.1172 0.0744 0.2062 0.4006 0.3370 0.1535 0.2660 0.1866 0.2546 0.4148 0.1590 1.0941 0.3468 0.4696 0.7311 0.8068 0.4835 1.6912 1.8492 1.7383 1.0664 0.8842 0.4949 2.4060 2.0239 1.3839 0.2848 0.3918 0.1286 0.7251 0.4422 0.2555 0.6044 0.2700 0.8049 0.2895 0.3959 0.3631 0.4179 0.4601 0.4055 1.0284 0.9643 0.6539 0.4168 0.1891 0.2018 0.2835 0.0945 0.3456 0.3362 0.6271 0.3714 0.6210 0.7758 0.5659 1.0955 0.6726 0.8221 0.7341 0.5638 0.6193 0.6645 0.4846 0.7200 2.2635 1.3347 1.2490 0.5880 0.5579 0.7631 1.6530 1.0521 0.8482 2.0474 1.9348 1.1678 2.0558 0.9789 1.0998 0.4448 0.3658 0.3600 0.1251 0.2192 0.1397 0.9689 0.4586 0.4288 0.5412 0.7048 0.7241 0.6592 0.6826 0.6022 0.2417 0.2137 0.0912 0.1084 0.1822 0.2660 0.5394 0.2942 0.4181 0.6186 0.3346 0.3291 0.4453 0.4282 0.2161 1.9889 1.3748 0.9767 1.9846 1.1569 0.6211 0.2107 0.1367 0.1272 0.4586 0.1965 0.0988 0.3045 0.3008 0.1078 1.7674 0.6339 0.5268 1.2442 1.4756 0.9219 0.7034 0.2125 0.4547 0.3944 0.3063 0.2692 0.4236 0.3806 0.1859 0.7928 0.1602 0.1810 1.5371 0.4877 0.7540 0.6261 0.4862 0.4370 0.3907 0.4941 0.2375 0.7109 0.4553 0.4742 0.6426 0.4327 0.4391 0.3734 0.4385 0.2758 1.1613 0.5980 0.4802 1.6147 1.6280 1.8729 1.5629 1.0993 1.3537 0.4514 0.5279 0.3115 1.1210 1.0350 0.8167 1.1357 0.7112 0.4254 0.1217 0.0721 0.0861 0.0798 0.1018 0.1829 0.1636 0.0715 0.1035 0.2446 0.0512 0.1475 0.2738 0.3973 0.1157 0.9421 0.9194 0.5384 0.1898 0.1018 0.2521 0.1490 0.1067 0.2436 0.0660 0.0815 0.0513 Indole-3-carboxaldehyde 0.4534 0.6199 0.4682 0.3818 0.5466 0.4766 0.5523 0.3622 0.5540 0.5718 0.5604 0.3985 0.3296 0.5738 0.3333 0.4427 0.6328 0.5687 0.4207 0.3874 0.3298 0.4022 0.3783 0.2499 0.4102 0.4186 0.3703 0.2958 0.5283 0.5483 0.3620 0.3498 0.3793 0.4491 0.4679 0.4054 0.5716 0.4669 0.4945 0.6835 0.3593 0.5399 0.4447 0.3962 0.4147 0.6210 0.5573 0.4854 0.3986 0.6677 0.5802 0.4135 0.4658 0.5341 0.6626 0.3065 0.6282 0.6440 0.3298 0.5772 0.5462 0.4941 0.4191 0.5251 0.4591 0.3811 0.4512 0.3100 0.3956 0.6034 0.6107 0.7072 0.6005 0.4494 0.6992 0.6719 0.4323 0.5318 0.6798 0.6696 0.7903 0.7917 0.4569 0.7563 0.4627 0.4855 0.4627 0.6042 0.3576 0.5499 0.5515 0.5037 0.4342 0.6207 0.4853 0.5495 0.5170 0.4273 0.3879 0.7901 0.5839 0.7226 0.5332 0.6599 0.7674 0.6608 0.6422 0.4286 0.4852 0.4342 0.4289 0.4377 0.4577 0.4955 0.5227 0.5365 0.5343 0.5252 0.3507 0.4398 0.4577 0.4019 0.4960 0.4770 0.5157 0.2574 0.5810 0.6679 0.4583 0.6011 0.2322 0.3234 0.4383 0.5804 0.4679 0.6354 0.4091 0.4420 0.4503 0.6491 0.4209 0.4768 0.2343 0.4526 0.4163 0.4202 0.5584 0.5565 0.3184 0.3176 0.6624 0.3668 0.2719 0.5415 0.4698 0.5671 0.5857 0.5962 0.5307 0.6037 0.4978 0.6343 0.5992 0.5271 0.6509 0.6415 0.4029 0.4675 0.5539 0.5671 0.5154 0.7619 0.6663 0.4620 0.6514 0.6142 0.5701 0.4739 0.5178 0.5222 0.5766 0.6271 0.5113 0.5582 0.5906 0.4627 0.5349 0.4326 0.4012 0.5052 0.4104 0.5157 0.6183 0.5412 0.6458 0.6989 0.5878 0.6498 0.5143 0.5077 0.4777 0.4935 0.6114 0.5241 0.4738 0.5802 0.5675 0.6276 0.4736 0.8320 0.6818 0.4579 0.7936 0.4105 0.5034 0.4354 Indole-3-ethanol 0.0985 0.0993 0.0839 0.0746 0.0951 0.0860 0.0810 0.0771 0.0976 0.0811 0.0920 0.0716 0.0715 0.1125 0.0753 0.0815 0.0893 0.1183 0.0795 0.0801 0.0967 0.0919 0.0744 0.0798 0.1095 0.1381 0.0909 0.0755 0.1089 0.1279 0.0714 0.0495 0.0967 0.1120 0.0656 0.1221 0.1050 0.1419 0.1057 0.1151 0.0749 0.0845 0.1021 0.1247 0.0872 0.0874 0.1209 0.0875 0.0976 0.0946 0.0715 0.0931 0.0762 0.1023 0.1289 0.0793 0.0675 0.1089 0.0673 0.1214 0.1117 0.0721 0.1019 0.1127 0.1222 0.1156 0.1073 0.0808 0.1043 0.1479 0.1300 0.1366 0.0825 0.1178 0.1418 0.1317 0.1124 0.1174 0.1343 0.0883 0.1676 0.1435 0.1389 0.0979 0.1296 0.1501 0.1273 0.1332 0.0627 0.1283 0.0762 0.0870 0.1131 0.1086 0.0876 0.0851 0.1042 0.0977 0.1096 0.1530 0.1047 0.1271 0.1498 0.1019 0.1098 0.0777 0.1061 0.0887 0.0363 0.1076 0.1041 0.1479 0.0985 0.1036 0.1513 0.1194 0.1390 0.1344 0.0771 0.0929 0.0951 0.0914 0.0872 0.1354 0.1065 0.0664 0.0902 0.1096 0.0840 0.0943 0.0529 0.1024 0.0826 0.1505 0.0965 0.1289 0.0971 0.1048 0.1100 0.1844 0.1001 0.1150 0.0680 0.0784 0.0856 0.0986 0.1239 0.1188 0.0786 0.0637 0.0982 0.0536 0.0635 0.1293 0.1375 0.1150 0.1116 0.1070 0.1240 0.1370 0.1438 0.1126 0.1742 0.1254 0.1635 0.1064 0.1207 0.1190 0.1422 0.1334 0.1431 0.1091 0.1098 0.1280 0.0897 0.0979 0.1609 0.1073 0.0943 0.1259 0.1413 0.0877 0.0930 0.0986 0.1153 0.0993 0.0760 0.0976 0.1144 0.1141 0.0463 0.0837 0.0751 0.0536 0.0483 0.0885 0.0794 0.0714 0.1184 0.1282 0.1248 0.1407 0.1136 0.1069 0.0993 0.1952 0.1213 0.1243 0.0737 0.1361 0.1678 0.0542 0.1751 0.1008 0.0833 0.1009 Tryptamine 0.1410 0.1929 0.1505 0.0786 0.0726 0.0598 0.1008 0.0559 0.0697 0.0839 0.0557 0.0561 0.1429 0.1022 0.0390 0.0878 0.0653 0.0693 0.0525 0.0454 0.0407 0.1420 0.1297 0.0825 0.0983 0.1249 0.1162 0.1668 0.1261 0.1492 0.0758 0.0485 0.0667 0.2129 0.1497 0.1536 0.0612 0.0070 0.0527 0.1207 0.0650 0.0734 0.2074 0.1195 0.1401 0.0907 0.0588 0.0636 0.0581 0.0660 0.0668 0.2064 0.1682 0.0957 0.0626 0.0309 0.0491 0.1202 0.0533 0.0609 0.1819 0.1109 0.1174 0.1727 0.1505 0.1311 0.2020 0.1005 0.1218 0.0807 0.0530 0.0804 0.0989 0.0693 0.0887 0.2583 0.0754 0.1345 0.0830 0.0731 0.1107 0.1797 0.1425 0.2028 0.2481 0.1735 0.1518 0.2656 0.1074 0.1699 0.0924 0.0788 0.0735 0.1168 0.0700 0.0767 0.2274 0.1399 0.1334 0.3253 0.1148 0.2006 0.1449 0.1115 0.1511 0.0998 0.0638 0.0572 0.0878 0.0656 0.0567 0.0722 0.0645 0.0656 0.0809 0.0541 0.0773 0.1002 0.0571 0.0768 0.2188 0.1536 0.1778 0.1807 0.1398 0.1107 0.1200 0.0853 0.0649 0.1135 0.0618 0.1037 0.1675 0.1167 0.1618 0.2104 0.1339 0.1548 0.1669 0.2317 0.1535 0.0763 0.0561 0.0753 0.0759 0.0548 0.0675 0.0735 0.0492 0.0410 0.1035 0.0392 0.0467 0.3188 0.1865 0.1969 0.1112 0.0819 0.0837 0.0979 0.0823 0.0797 0.1054 0.1039 0.1076 0.2206 0.1393 0.1478 0.0843 0.0672 0.0746 0.1431 0.0863 0.0804 0.2031 0.1676 0.1789 0.1231 0.1107 0.1390 0.0958 0.0959 0.0728 0.2694 0.2093 0.1662 0.2270 0.1156 0.1395 0.0738 0.0526 0.0804 0.1043 0.0693 0.1114 0.0987 0.0810 0.1366 0.0839 0.0687 0.0790 0.0907 0.0768 0.0927 0.2095 0.2061 0.2031 0.1102 0.0706 0.1000 0.0867 0.0785 0.1136 0.0643 0.0569 0.0581 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 Indole-3-acetamide Indole-3-acetic acid Indole-3-acrylic acid Indole-3-carboxaldehyde Indole-3-ethanol Tryptamine METABOLITES_END #END