#METABOLOMICS WORKBENCH jravilap_20250508_093332 DATATRACK_ID:5896 STUDY_ID:ST003910 ANALYSIS_ID:AN006418 PROJECT_ID:PR002363 VERSION 1 CREATED_ON May 9, 2025, 6:34 pm #PROJECT PR:PROJECT_TITLE Molecular fingerprint inference reveals bioactive lipids and microbial PR:PROJECT_TITLE metabolites in colitis PR:PROJECT_SUMMARY Untargeted metabolomics provides a sensitive readout of small molecules in PR:PROJECT_SUMMARY biofluids , though considerable effort is still required to assign compound PR:PROJECT_SUMMARY annotations to yet unidentified features . Here, we developed MS1-Tools, a PR:PROJECT_SUMMARY machine learning model trained on LC-MS1 profiles of verified metabolites, to PR:PROJECT_SUMMARY infer molecular fingerprints for unknown features. In stool samples, MS1-Tools PR:PROJECT_SUMMARY achieved test accuracy of >74% (correct within top 3 candidates), drastically PR:PROJECT_SUMMARY reducing the number of reference standards to be tested. Predicted identities PR:PROJECT_SUMMARY were validated with MS/MS and standards, revealing diverse markers and drivers PR:PROJECT_SUMMARY of inflammation, including amino-acid conjugations with primary metabolites, and PR:PROJECT_SUMMARY platelet-activating factor analogs that we show to bind the PAF receptor. PR:PROJECT_SUMMARY MS1-Tools enabled integration with bacterial culturomics to uncover production PR:PROJECT_SUMMARY of N-lactoyl-phenylalanine (Lac-Phe) – an appetite-regulating metabolite – PR:PROJECT_SUMMARY by inflammation-associated Lactobacillales and Bifidobacteriales. Structural PR:PROJECT_SUMMARY protein search and bacterial genetics enabled validation of multiple bacterial PR:PROJECT_SUMMARY Lac-Phe-producing dipeptidases, demonstrating broad applicability of MS1-Tools PR:PROJECT_SUMMARY to resolve inflammation-associated metabolites and their origins. PR:INSTITUTE Broad Institute of MIT and Harvard PR:LAST_NAME Avila-Pacheco PR:FIRST_NAME Julian PR:ADDRESS 415 Main Street, Cambridge, MA 02142 USA PR:EMAIL jravilap@broadinstitute.org PR:PHONE +1 (617) 714-1729 #STUDY ST:STUDY_TITLE Molecular fingerprint inference reveals bioactive lipids and microbial ST:STUDY_TITLE metabolites in colitis. Study 3. ST:STUDY_TYPE Study 3: Profiling of bacterial cultures for: Bifidobacterium longum, ST:STUDY_TYPE Clostridium sporogenes, Clostridium innocuum, Escherichia coli BL21(DE3), ST:STUDY_TYPE Streptococcis infantis, Streptococcus parasanguinis. ST:STUDY_SUMMARY Untargeted metabolomics provides a sensitive readout of small molecules in ST:STUDY_SUMMARY biofluids , though considerable effort is still required to assign compound ST:STUDY_SUMMARY annotations to yet unidentified features . Here, we developed MS1-Tools, a ST:STUDY_SUMMARY machine learning model trained on LC-MS1 profiles of verified metabolites, to ST:STUDY_SUMMARY infer molecular fingerprints for unknown features. In stool samples, MS1-Tools ST:STUDY_SUMMARY achieved test accuracy of >74% (correct within top 3 candidates), drastically ST:STUDY_SUMMARY reducing the number of reference standards to be tested. Predicted identities ST:STUDY_SUMMARY were validated with MS/MS and standards, revealing diverse markers and drivers ST:STUDY_SUMMARY of inflammation, including amino-acid conjugations with primary metabolites, and ST:STUDY_SUMMARY platelet-activating factor analogs that we show to bind the PAF receptor. ST:STUDY_SUMMARY MS1-Tools enabled integration with bacterial culturomics to uncover production ST:STUDY_SUMMARY of N-lactoyl-phenylalanine (Lac-Phe) – an appetite-regulating metabolite – ST:STUDY_SUMMARY by inflammation-associated Lactobacillales and Bifidobacteriales. Structural ST:STUDY_SUMMARY protein search and bacterial genetics enabled validation of multiple bacterial ST:STUDY_SUMMARY Lac-Phe-producing dipeptidases, demonstrating broad applicability of MS1-Tools ST:STUDY_SUMMARY to resolve inflammation-associated metabolites and their origins. ST:INSTITUTE Broad Institute of MIT and Harvard ST:LAST_NAME Avila-Pacheco ST:FIRST_NAME Julian ST:ADDRESS 415 Main Street ST:EMAIL jravilap@broadinstitute.org ST:PHONE (617) 714-1729 #SUBJECT SU:SUBJECT_TYPE Bacteria SU:SUBJECT_SPECIES Bifidobacterium longum, Clostridium sporogenes, Clostridium innocuum, SU:SUBJECT_SPECIES Escherichia coli BL21(DE3), Streptococcus infantis, Streptococcus parasanguinis SU:TAXONOMY_ID 216816, 1509, 1522, 469008, 68892, 1318 SU:GENOTYPE_STRAIN Bifidobacterium longum, Clostridium sporogenes, Clostridium innocuum, SU:GENOTYPE_STRAIN Escherichia coli BL21(DE3), Streptococcis infantis, Streptococcus SU:GENOTYPE_STRAIN parasanguinis). #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - CS_CHG_24_1 Sample source:Culture | Species:Clostridium sporogenes | Media:CHG | Replicate:R1 | Time:24 RAW_FILE_NAME(C18-NEG)=B0001_XAV_BactReRun_CN-CS_CHG_24_1; RAW_FILE_NAME(C8-POS)=B0001_XAV_BactReRun_CP-CS_CHG_24_1; RAW_FILE_NAME(HILIC-POS)=B0001_XAV_BactReRun_HP-CS_CHG_24_1 SUBJECT_SAMPLE_FACTORS - CS_CHG_24_2 Sample source:Culture | Species:Clostridium sporogenes | Media:CHG | Replicate:R2 | Time:24 RAW_FILE_NAME(C18-NEG)=B0002_XAV_BactReRun_CN-CS_CHG_24_2; RAW_FILE_NAME(C8-POS)=B0002_XAV_BactReRun_CP-CS_CHG_24_2; RAW_FILE_NAME(HILIC-POS)=B0002_XAV_BactReRun_HP-CS_CHG_24_2 SUBJECT_SAMPLE_FACTORS - CS_CHG_24_3 Sample source:Culture | Species:Clostridium sporogenes | Media:CHG | Replicate:R3 | Time:24 RAW_FILE_NAME(C18-NEG)=B0003_XAV_BactReRun_CN-CS_CHG_24_3; RAW_FILE_NAME(C8-POS)=B0003_XAV_BactReRun_CP-CS_CHG_24_3; RAW_FILE_NAME(HILIC-POS)=B0003_XAV_BactReRun_HP-CS_CHG_24_3 SUBJECT_SAMPLE_FACTORS - SI_CHG_6hr_1 Sample source:Culture | Species:Streptococcus infantis | Media:CHG | Replicate:R1 | Time:6 RAW_FILE_NAME(C18-NEG)=B0004_XAV_BactReRun_CN-SI_CHG_6hr_1; RAW_FILE_NAME(C8-POS)=B0004_XAV_BactReRun_CP-SI_CHG_6hr_1; RAW_FILE_NAME(HILIC-POS)=B0004_XAV_BactReRun_HP-SI_CHG_6hr_1 SUBJECT_SAMPLE_FACTORS - SI_CHG_48hr_2 Sample source:Culture | Species:Streptococcus infantis | Media:CHG | Replicate:R2 | Time:48 RAW_FILE_NAME(C18-NEG)=B0005_XAV_BactReRun_CN-SI_CHG_48hr_2; RAW_FILE_NAME(C8-POS)=B0005_XAV_BactReRun_CP-SI_CHG_48hr_2; RAW_FILE_NAME(HILIC-POS)=B0005_XAV_BactReRun_HP-SI_CHG_48hr_2 SUBJECT_SAMPLE_FACTORS - SI_CHG_0hr_2 Sample source:Culture | Species:Streptococcus infantis | Media:CHG | Replicate:R2 | Time:0 RAW_FILE_NAME(C18-NEG)=B0006_XAV_BactReRun_CN-SI_CHG_0hr_2; RAW_FILE_NAME(C8-POS)=B0006_XAV_BactReRun_CP-SI_CHG_0hr_2; RAW_FILE_NAME(HILIC-POS)=B0006_XAV_BactReRun_HP-SI_CHG_0hr_2 SUBJECT_SAMPLE_FACTORS - SI_CHG_48hr_3 Sample source:Culture | Species:Streptococcus infantis | Media:CHG | Replicate:R3 | Time:48 RAW_FILE_NAME(C18-NEG)=B0007_XAV_BactReRun_CN-SI_CHG_48hr_3; RAW_FILE_NAME(C8-POS)=B0007_XAV_BactReRun_CP-SI_CHG_48hr_3; RAW_FILE_NAME(HILIC-POS)=B0007_XAV_BactReRun_HP-SI_CHG_48hr_3 SUBJECT_SAMPLE_FACTORS - SI_CHG_48hr_1 Sample source:Culture | Species:Streptococcus infantis | Media:CHG | Replicate:R1 | Time:48 RAW_FILE_NAME(C18-NEG)=B0008_XAV_BactReRun_CN-SI_CHG_48hr_1; RAW_FILE_NAME(C8-POS)=B0008_XAV_BactReRun_CP-SI_CHG_48hr_1; RAW_FILE_NAME(HILIC-POS)=B0008_XAV_BactReRun_HP-SI_CHG_48hr_1 SUBJECT_SAMPLE_FACTORS - SI_CHG_0hr_3 Sample source:Culture | Species:Streptococcus infantis | Media:CHG | Replicate:R3 | Time:0 RAW_FILE_NAME(C18-NEG)=B0009_XAV_BactReRun_CN-SI_CHG_0hr_3; RAW_FILE_NAME(C8-POS)=B0009_XAV_BactReRun_CP-SI_CHG_0hr_3; RAW_FILE_NAME(HILIC-POS)=B0009_XAV_BactReRun_HP-SI_CHG_0hr_3 SUBJECT_SAMPLE_FACTORS - SI_CHG_6hr_3 Sample source:Culture | Species:Streptococcus infantis | Media:CHG | Replicate:R3 | Time:6 RAW_FILE_NAME(C18-NEG)=B0010_XAV_BactReRun_CN-SI_CHG_6hr_3; RAW_FILE_NAME(C8-POS)=B0010_XAV_BactReRun_CP-SI_CHG_6hr_3; RAW_FILE_NAME(HILIC-POS)=B0010_XAV_BactReRun_HP-SI_CHG_6hr_3 SUBJECT_SAMPLE_FACTORS - SI_CHG_24hr_2 Sample source:Culture | Species:Streptococcus infantis | Media:CHG | Replicate:R2 | Time:24 RAW_FILE_NAME(C18-NEG)=B0011_XAV_BactReRun_CN-SI_CHG_24hr_2; RAW_FILE_NAME(C8-POS)=B0011_XAV_BactReRun_CP-SI_CHG_24hr_2; RAW_FILE_NAME(HILIC-POS)=B0011_XAV_BactReRun_HP-SI_CHG_24hr_2 SUBJECT_SAMPLE_FACTORS - SI_CHG_6hr_2 Sample source:Culture | Species:Streptococcus infantis | Media:CHG | Replicate:R2 | Time:6 RAW_FILE_NAME(C18-NEG)=B0012_XAV_BactReRun_CN-SI_CHG_6hr_2; RAW_FILE_NAME(C8-POS)=B0012_XAV_BactReRun_CP-SI_CHG_6hr_2; RAW_FILE_NAME(HILIC-POS)=B0012_XAV_BactReRun_HP-SI_CHG_6hr_2 SUBJECT_SAMPLE_FACTORS - SI_CHG_0hr_1 Sample source:Culture | Species:Streptococcus infantis | Media:CHG | Replicate:R1 | Time:0 RAW_FILE_NAME(C18-NEG)=B0013_XAV_BactReRun_CN-SI_CHG_0hr_1; RAW_FILE_NAME(C8-POS)=B0013_XAV_BactReRun_CP-SI_CHG_0hr_1; RAW_FILE_NAME(HILIC-POS)=B0013_XAV_BactReRun_HP-SI_CHG_0hr_1 SUBJECT_SAMPLE_FACTORS - SI_CHG_24hr_1 Sample source:Culture | Species:Streptococcus infantis | Media:CHG | Replicate:R1 | Time:24 RAW_FILE_NAME(C18-NEG)=B0014_XAV_BactReRun_CN-SI_CHG_24hr_1; RAW_FILE_NAME(C8-POS)=B0014_XAV_BactReRun_CP-SI_CHG_24hr_1; RAW_FILE_NAME(HILIC-POS)=B0014_XAV_BactReRun_HP-SI_CHG_24hr_1 SUBJECT_SAMPLE_FACTORS - SI_CHG_24hr_3 Sample source:Culture | Species:Streptococcus infantis | Media:CHG | Replicate:R3 | Time:24 RAW_FILE_NAME(C18-NEG)=B0015_XAV_BactReRun_CN-SI_CHG_24hr_3; RAW_FILE_NAME(C8-POS)=B0015_XAV_BactReRun_CP-SI_CHG_24hr_3; RAW_FILE_NAME(HILIC-POS)=B0015_XAV_BactReRun_HP-SI_CHG_24hr_3 SUBJECT_SAMPLE_FACTORS - CHG_48hr_1 Sample source:Culture | Species:Unspent media | Media:CHG | Replicate:R1 | Time:48 RAW_FILE_NAME(C18-NEG)=B0016_XAV_BactReRun_CN-CHG_48hr_1; RAW_FILE_NAME(C8-POS)=B0016_XAV_BactReRun_CP-CHG_48hr_1; RAW_FILE_NAME(HILIC-POS)=B0016_XAV_BactReRun_HP-CHG_48hr_1 SUBJECT_SAMPLE_FACTORS - CHG_48hr_2 Sample source:Culture | Species:Unspent media | Media:CHG | Replicate:R2 | Time:48 RAW_FILE_NAME(C18-NEG)=B0017_XAV_BactReRun_CN-CHG_48hr_2; RAW_FILE_NAME(C8-POS)=B0017_XAV_BactReRun_CP-CHG_48hr_2; RAW_FILE_NAME(HILIC-POS)=B0017_XAV_BactReRun_HP-CHG_48hr_2 SUBJECT_SAMPLE_FACTORS - CHG_6hr_3 Sample source:Culture | Species:Unspent media | Media:CHG | Replicate:R3 | Time:6 RAW_FILE_NAME(C18-NEG)=B0018_XAV_BactReRun_CN-CHG_6hr_3; RAW_FILE_NAME(C8-POS)=B0018_XAV_BactReRun_CP-CHG_6hr_3; RAW_FILE_NAME(HILIC-POS)=B0018_XAV_BactReRun_HP-CHG_6hr_3 SUBJECT_SAMPLE_FACTORS - CHG_24hr_1 Sample source:Culture | Species:Unspent media | Media:CHG | Replicate:R1 | Time:24 RAW_FILE_NAME(C18-NEG)=B0019_XAV_BactReRun_CN-CHG_24hr_1; RAW_FILE_NAME(C8-POS)=B0019_XAV_BactReRun_CP-CHG_24hr_1; RAW_FILE_NAME(HILIC-POS)=B0019_XAV_BactReRun_HP-CHG_24hr_1 SUBJECT_SAMPLE_FACTORS - CHG_24hr_2 Sample source:Culture | Species:Unspent media | Media:CHG | Replicate:R2 | Time:24 RAW_FILE_NAME(C18-NEG)=B0020_XAV_BactReRun_CN-CHG_24hr_2; RAW_FILE_NAME(C8-POS)=B0020_XAV_BactReRun_CP-CHG_24hr_2; RAW_FILE_NAME(HILIC-POS)=B0020_XAV_BactReRun_HP-CHG_24hr_2 SUBJECT_SAMPLE_FACTORS - CHG_0hr_3 Sample source:Culture | Species:Unspent media | Media:CHG | Replicate:R3 | Time:0 RAW_FILE_NAME(C18-NEG)=B0021_XAV_BactReRun_CN-CHG_0hr_3; RAW_FILE_NAME(C8-POS)=B0021_XAV_BactReRun_CP-CHG_0hr_3; RAW_FILE_NAME(HILIC-POS)=B0021_XAV_BactReRun_HP-CHG_0hr_3 SUBJECT_SAMPLE_FACTORS - CHG_24hr_3 Sample source:Culture | Species:Unspent media | Media:CHG | Replicate:R3 | Time:24 RAW_FILE_NAME(C18-NEG)=B0022_XAV_BactReRun_CN-CHG_24hr_3; RAW_FILE_NAME(C8-POS)=B0022_XAV_BactReRun_CP-CHG_24hr_3; RAW_FILE_NAME(HILIC-POS)=B0022_XAV_BactReRun_HP-CHG_24hr_3 SUBJECT_SAMPLE_FACTORS - CHG_48hr_3 Sample source:Culture | Species:Unspent media | Media:CHG | Replicate:R3 | Time:48 RAW_FILE_NAME(C18-NEG)=B0023_XAV_BactReRun_CN-CHG_48hr_3; RAW_FILE_NAME(C8-POS)=B0023_XAV_BactReRun_CP-CHG_48hr_3; RAW_FILE_NAME(HILIC-POS)=B0023_XAV_BactReRun_HP-CHG_48hr_3 SUBJECT_SAMPLE_FACTORS - CHG_6hr_1 Sample source:Culture | Species:Unspent media | Media:CHG | Replicate:R1 | Time:6 RAW_FILE_NAME(C18-NEG)=B0024_XAV_BactReRun_CN-CHG_6hr_1; RAW_FILE_NAME(C8-POS)=B0024_XAV_BactReRun_CP-CHG_6hr_1; RAW_FILE_NAME(HILIC-POS)=B0024_XAV_BactReRun_HP-CHG_6hr_1 SUBJECT_SAMPLE_FACTORS - CHG_0hr_2 Sample source:Culture | Species:Unspent media | Media:CHG | Replicate:R2 | Time:0 RAW_FILE_NAME(C18-NEG)=B0025_XAV_BactReRun_CN-CHG_0hr_2; RAW_FILE_NAME(C8-POS)=B0025_XAV_BactReRun_CP-CHG_0hr_2; RAW_FILE_NAME(HILIC-POS)=B0025_XAV_BactReRun_HP-CHG_0hr_2 SUBJECT_SAMPLE_FACTORS - CHG_0hr_1 Sample source:Culture | Species:Unspent media | Media:CHG | Replicate:R1 | Time:0 RAW_FILE_NAME(C18-NEG)=B0026_XAV_BactReRun_CN-CHG_0hr_1; RAW_FILE_NAME(C8-POS)=B0026_XAV_BactReRun_CP-CHG_0hr_1; RAW_FILE_NAME(HILIC-POS)=B0026_XAV_BactReRun_HP-CHG_0hr_1 SUBJECT_SAMPLE_FACTORS - CHG_6hr_2 Sample source:Culture | Species:Unspent media | Media:CHG | Replicate:R2 | Time:6 RAW_FILE_NAME(C18-NEG)=B0027_XAV_BactReRun_CN-CHG_6hr_2; RAW_FILE_NAME(C8-POS)=B0027_XAV_BactReRun_CP-CHG_6hr_2; RAW_FILE_NAME(HILIC-POS)=B0027_XAV_BactReRun_HP-CHG_6hr_2 SUBJECT_SAMPLE_FACTORS - SP_CHG_24hr_2 Sample source:Culture | Species:Streptococcus parasanguinis | Media:CHG | Replicate:R2 | Time:24 RAW_FILE_NAME(C18-NEG)=B0028_XAV_BactReRun_CN-SP_CHG_24hr_2; RAW_FILE_NAME(C8-POS)=B0028_XAV_BactReRun_CP-SP_CHG_24hr_2; RAW_FILE_NAME(HILIC-POS)=B0028_XAV_BactReRun_HP-SP_CHG_24hr_2 SUBJECT_SAMPLE_FACTORS - SP_CHG_0hr_2 Sample source:Culture | Species:Streptococcus parasanguinis | Media:CHG | Replicate:R2 | Time:0 RAW_FILE_NAME(C18-NEG)=B0029_XAV_BactReRun_CN-SP_CHG_0hr_2; RAW_FILE_NAME(C8-POS)=B0029_XAV_BactReRun_CP-SP_CHG_0hr_2; RAW_FILE_NAME(HILIC-POS)=B0029_XAV_BactReRun_HP-SP_CHG_0hr_2 SUBJECT_SAMPLE_FACTORS - SP_CHG_0hr_1 Sample source:Culture | Species:Streptococcus parasanguinis | Media:CHG | Replicate:R1 | Time:0 RAW_FILE_NAME(C18-NEG)=B0030_XAV_BactReRun_CN-SP_CHG_0hr_1; RAW_FILE_NAME(C8-POS)=B0030_XAV_BactReRun_CP-SP_CHG_0hr_1; RAW_FILE_NAME(HILIC-POS)=B0030_XAV_BactReRun_HP-SP_CHG_0hr_1 SUBJECT_SAMPLE_FACTORS - SP_CHG_24hr_1 Sample source:Culture | Species:Streptococcus parasanguinis | Media:CHG | Replicate:R1 | Time:24 RAW_FILE_NAME(C18-NEG)=B0031_XAV_BactReRun_CN-SP_CHG_24hr_1; RAW_FILE_NAME(C8-POS)=B0031_XAV_BactReRun_CP-SP_CHG_24hr_1; RAW_FILE_NAME(HILIC-POS)=B0031_XAV_BactReRun_HP-SP_CHG_24hr_1 SUBJECT_SAMPLE_FACTORS - SP_CHG_6hr_3 Sample source:Culture | Species:Streptococcus parasanguinis | Media:CHG | Replicate:R3 | Time:6 RAW_FILE_NAME(C18-NEG)=B0032_XAV_BactReRun_CN-SP_CHG_6hr_3; RAW_FILE_NAME(C8-POS)=B0032_XAV_BactReRun_CP-SP_CHG_6hr_3; RAW_FILE_NAME(HILIC-POS)=B0032_XAV_BactReRun_HP-SP_CHG_6hr_3 SUBJECT_SAMPLE_FACTORS - SP_CHG_6hr_1 Sample source:Culture | Species:Streptococcus parasanguinis | Media:CHG | Replicate:R1 | Time:6 RAW_FILE_NAME(C18-NEG)=B0033_XAV_BactReRun_CN-SP_CHG_6hr_1; RAW_FILE_NAME(C8-POS)=B0033_XAV_BactReRun_CP-SP_CHG_6hr_1; RAW_FILE_NAME(HILIC-POS)=B0033_XAV_BactReRun_HP-SP_CHG_6hr_1 SUBJECT_SAMPLE_FACTORS - SP_CHG_6hr_2 Sample source:Culture | Species:Streptococcus parasanguinis | Media:CHG | Replicate:R2 | Time:6 RAW_FILE_NAME(C18-NEG)=B0034_XAV_BactReRun_CN-SP_CHG_6hr_2; RAW_FILE_NAME(C8-POS)=B0034_XAV_BactReRun_CP-SP_CHG_6hr_2; RAW_FILE_NAME(HILIC-POS)=B0034_XAV_BactReRun_HP-SP_CHG_6hr_2 SUBJECT_SAMPLE_FACTORS - SP_CHG_48hr_3 Sample source:Culture | Species:Streptococcus parasanguinis | Media:CHG | Replicate:R3 | Time:48 RAW_FILE_NAME(C18-NEG)=B0035_XAV_BactReRun_CN-SP_CHG_48hr_3; RAW_FILE_NAME(C8-POS)=B0035_XAV_BactReRun_CP-SP_CHG_48hr_3; RAW_FILE_NAME(HILIC-POS)=B0035_XAV_BactReRun_HP-SP_CHG_48hr_3 SUBJECT_SAMPLE_FACTORS - SP_CHG_48hr_2 Sample source:Culture | Species:Streptococcus parasanguinis | Media:CHG | Replicate:R2 | Time:48 RAW_FILE_NAME(C18-NEG)=B0036_XAV_BactReRun_CN-SP_CHG_48hr_2; RAW_FILE_NAME(C8-POS)=B0036_XAV_BactReRun_CP-SP_CHG_48hr_2; RAW_FILE_NAME(HILIC-POS)=B0036_XAV_BactReRun_HP-SP_CHG_48hr_2 SUBJECT_SAMPLE_FACTORS - SP_CHG_48hr_1 Sample source:Culture | Species:Streptococcus parasanguinis | Media:CHG | Replicate:R1 | Time:48 RAW_FILE_NAME(C18-NEG)=B0037_XAV_BactReRun_CN-SP_CHG_48hr_1; RAW_FILE_NAME(C8-POS)=B0037_XAV_BactReRun_CP-SP_CHG_48hr_1; RAW_FILE_NAME(HILIC-POS)=B0037_XAV_BactReRun_HP-SP_CHG_48hr_1 SUBJECT_SAMPLE_FACTORS - SP_CHG_0hr_3 Sample source:Culture | Species:Streptococcus parasanguinis | Media:CHG | Replicate:R3 | Time:0 RAW_FILE_NAME(C18-NEG)=B0038_XAV_BactReRun_CN-SP_CHG_0hr_3; RAW_FILE_NAME(C8-POS)=B0038_XAV_BactReRun_CP-SP_CHG_0hr_3; RAW_FILE_NAME(HILIC-POS)=B0038_XAV_BactReRun_HP-SP_CHG_0hr_3 SUBJECT_SAMPLE_FACTORS - SP_CHG_24hr_3 Sample source:Culture | Species:Streptococcus parasanguinis | Media:CHG | Replicate:R3 | Time:24 RAW_FILE_NAME(C18-NEG)=B0039_XAV_BactReRun_CN-SP_CHG_24hr_3; RAW_FILE_NAME(C8-POS)=B0039_XAV_BactReRun_CP-SP_CHG_24hr_3; RAW_FILE_NAME(HILIC-POS)=B0039_XAV_BactReRun_HP-SP_CHG_24hr_3 SUBJECT_SAMPLE_FACTORS - BL_CHG_0hr_1 Sample source:Culture | Species:Bifidobacterium longum | Media:CHG | Replicate:R1 | Time:0 RAW_FILE_NAME(C18-NEG)=B0040_XAV_BactReRun_CN-BL_CHG_0hr_1; RAW_FILE_NAME(C8-POS)=B0040_XAV_BactReRun_CP-BL_CHG_0hr_1; RAW_FILE_NAME(HILIC-POS)=B0040_XAV_BactReRun_HP-BL_CHG_0hr_1 SUBJECT_SAMPLE_FACTORS - BL_CHG_6hr_2-A Sample source:Culture | Species:Bifidobacterium longum | Media:CHG | Replicate:R2 | Time:6 RAW_FILE_NAME(C18-NEG)=B0041_XAV_BactReRun_CN-BL_CHG_6hr_2-A; RAW_FILE_NAME(C8-POS)=B0041_XAV_BactReRun_CP-BL_CHG_6hr_2-A; RAW_FILE_NAME(HILIC-POS)=B0041_XAV_BactReRun_HP-BL_CHG_6hr_2-A SUBJECT_SAMPLE_FACTORS - BL_CHG_48hr_3 Sample source:Culture | Species:Bifidobacterium longum | Media:CHG | Replicate:R3 | Time:48 RAW_FILE_NAME(C18-NEG)=B0042_XAV_BactReRun_CN-BL_CHG_48hr_3; RAW_FILE_NAME(C8-POS)=B0042_XAV_BactReRun_CP-BL_CHG_48hr_3; RAW_FILE_NAME(HILIC-POS)=B0042_XAV_BactReRun_HP-BL_CHG_48hr_3 SUBJECT_SAMPLE_FACTORS - BL_CHG_24hr_2 Sample source:Culture | Species:Bifidobacterium longum | Media:CHG | Replicate:R2 | Time:24 RAW_FILE_NAME(C18-NEG)=B0043_XAV_BactReRun_CN-BL_CHG_24hr_2; RAW_FILE_NAME(C8-POS)=B0043_XAV_BactReRun_CP-BL_CHG_24hr_2; RAW_FILE_NAME(HILIC-POS)=B0043_XAV_BactReRun_HP-BL_CHG_24hr_2 SUBJECT_SAMPLE_FACTORS - BL_CHG_6hr_1 Sample source:Culture | Species:Bifidobacterium longum | Media:CHG | Replicate:R1 | Time:6 RAW_FILE_NAME(C18-NEG)=B0044_XAV_BactReRun_CN-BL_CHG_6hr_1; RAW_FILE_NAME(C8-POS)=B0044_XAV_BactReRun_CP-BL_CHG_6hr_1; RAW_FILE_NAME(HILIC-POS)=B0044_XAV_BactReRun_HP-BL_CHG_6hr_1 SUBJECT_SAMPLE_FACTORS - BL_CHG_24hr_3 Sample source:Culture | Species:Bifidobacterium longum | Media:CHG | Replicate:R3 | Time:24 RAW_FILE_NAME(C18-NEG)=B0045_XAV_BactReRun_CN-BL_CHG_24hr_3; RAW_FILE_NAME(C8-POS)=B0045_XAV_BactReRun_CP-BL_CHG_24hr_3; RAW_FILE_NAME(HILIC-POS)=B0045_XAV_BactReRun_HP-BL_CHG_24hr_3 SUBJECT_SAMPLE_FACTORS - BL_CHG_6hr_3 Sample source:Culture | Species:Bifidobacterium longum | Media:CHG | Replicate:R3 | Time:6 RAW_FILE_NAME(C18-NEG)=B0046_XAV_BactReRun_CN-BL_CHG_6hr_3; RAW_FILE_NAME(C8-POS)=B0046_XAV_BactReRun_CP-BL_CHG_6hr_3; RAW_FILE_NAME(HILIC-POS)=B0046_XAV_BactReRun_HP-BL_CHG_6hr_3 SUBJECT_SAMPLE_FACTORS - BL_CHG_48hr_2 Sample source:Culture | Species:Bifidobacterium longum | Media:CHG | Replicate:R2 | Time:48 RAW_FILE_NAME(C18-NEG)=B0047_XAV_BactReRun_CN-BL_CHG_48hr_2; RAW_FILE_NAME(C8-POS)=B0047_XAV_BactReRun_CP-BL_CHG_48hr_2; RAW_FILE_NAME(HILIC-POS)=B0047_XAV_BactReRun_HP-BL_CHG_48hr_2 SUBJECT_SAMPLE_FACTORS - BL_CHG_0hr_2 Sample source:Culture | Species:Bifidobacterium longum | Media:CHG | Replicate:R2 | Time:0 RAW_FILE_NAME(C18-NEG)=B0048_XAV_BactReRun_CN-BL_CHG_0hr_2; RAW_FILE_NAME(C8-POS)=B0048_XAV_BactReRun_CP-BL_CHG_0hr_2; RAW_FILE_NAME(HILIC-POS)=B0048_XAV_BactReRun_HP-BL_CHG_0hr_2 SUBJECT_SAMPLE_FACTORS - BL_CHG_24hr_1 Sample source:Culture | Species:Bifidobacterium longum | Media:CHG | Replicate:R1 | Time:24 RAW_FILE_NAME(C18-NEG)=B0049_XAV_BactReRun_CN-BL_CHG_24hr_1; RAW_FILE_NAME(C8-POS)=B0049_XAV_BactReRun_CP-BL_CHG_24hr_1; RAW_FILE_NAME(HILIC-POS)=B0049_XAV_BactReRun_HP-BL_CHG_24hr_1 SUBJECT_SAMPLE_FACTORS - BL_CHG_48hr_1 Sample source:Culture | Species:Bifidobacterium longum | Media:CHG | Replicate:R1 | Time:48 RAW_FILE_NAME(C18-NEG)=B0050_XAV_BactReRun_CN-BL_CHG_48hr_1; RAW_FILE_NAME(C8-POS)=B0050_XAV_BactReRun_CP-BL_CHG_48hr_1; RAW_FILE_NAME(HILIC-POS)=B0050_XAV_BactReRun_HP-BL_CHG_48hr_1 SUBJECT_SAMPLE_FACTORS - BL_CHG_0hr_3 Sample source:Culture | Species:Bifidobacterium longum | Media:CHG | Replicate:R3 | Time:0 RAW_FILE_NAME(C18-NEG)=B0051_XAV_BactReRun_CN-BL_CHG_0hr_3; RAW_FILE_NAME(C8-POS)=B0051_XAV_BactReRun_CP-BL_CHG_0hr_3; RAW_FILE_NAME(HILIC-POS)=B0051_XAV_BactReRun_HP-BL_CHG_0hr_3 SUBJECT_SAMPLE_FACTORS - CI_CHG_24hr_1 Sample source:Culture | Species:Clostridium innocuum | Media:CHG | Replicate:R1 | Time:24 RAW_FILE_NAME(C18-NEG)=B0052_XAV_BactReRun_CN-CI_CHG_24hr_1; RAW_FILE_NAME(C8-POS)=B0052_XAV_BactReRun_CP-CI_CHG_24hr_1; RAW_FILE_NAME(HILIC-POS)=B0052_XAV_BactReRun_HP-CI_CHG_24hr_1 SUBJECT_SAMPLE_FACTORS - CI_CHG_48hr_2 Sample source:Culture | Species:Clostridium innocuum | Media:CHG | Replicate:R2 | Time:48 RAW_FILE_NAME(C18-NEG)=B0053_XAV_BactReRun_CN-CI_CHG_48hr_2; RAW_FILE_NAME(C8-POS)=B0053_XAV_BactReRun_CP-CI_CHG_48hr_2; RAW_FILE_NAME(HILIC-POS)=B0053_XAV_BactReRun_HP-CI_CHG_48hr_2 SUBJECT_SAMPLE_FACTORS - CI_CHG_48hr_1 Sample source:Culture | Species:Clostridium innocuum | Media:CHG | Replicate:R1 | Time:48 RAW_FILE_NAME(C18-NEG)=B0054_XAV_BactReRun_CN-CI_CHG_48hr_1; RAW_FILE_NAME(C8-POS)=B0054_XAV_BactReRun_CP-CI_CHG_48hr_1; RAW_FILE_NAME(HILIC-POS)=B0054_XAV_BactReRun_HP-CI_CHG_48hr_1 SUBJECT_SAMPLE_FACTORS - CI_CHG_6hr_3 Sample source:Culture | Species:Clostridium innocuum | Media:CHG | Replicate:R3 | Time:6 RAW_FILE_NAME(C18-NEG)=B0055_XAV_BactReRun_CN-CI_CHG_6hr_3; RAW_FILE_NAME(C8-POS)=B0055_XAV_BactReRun_CP-CI_CHG_6hr_3; RAW_FILE_NAME(HILIC-POS)=B0055_XAV_BactReRun_HP-CI_CHG_6hr_3 SUBJECT_SAMPLE_FACTORS - CI_CHG_48hr_3 Sample source:Culture | Species:Clostridium innocuum | Media:CHG | Replicate:R3 | Time:48 RAW_FILE_NAME(C18-NEG)=B0056_XAV_BactReRun_CN-CI_CHG_48hr_3; RAW_FILE_NAME(C8-POS)=B0056_XAV_BactReRun_CP-CI_CHG_48hr_3; RAW_FILE_NAME(HILIC-POS)=B0056_XAV_BactReRun_HP-CI_CHG_48hr_3 SUBJECT_SAMPLE_FACTORS - CI_CHG_24hr_2 Sample source:Culture | Species:Clostridium innocuum | Media:CHG | Replicate:R2 | Time:24 RAW_FILE_NAME(C18-NEG)=B0057_XAV_BactReRun_CN-CI_CHG_24hr_2; RAW_FILE_NAME(C8-POS)=B0057_XAV_BactReRun_CP-CI_CHG_24hr_2; RAW_FILE_NAME(HILIC-POS)=B0057_XAV_BactReRun_HP-CI_CHG_24hr_2 SUBJECT_SAMPLE_FACTORS - CI_CHG_6hr_1 Sample source:Culture | Species:Clostridium innocuum | Media:CHG | Replicate:R1 | Time:6 RAW_FILE_NAME(C18-NEG)=B0058_XAV_BactReRun_CN-CI_CHG_6hr_1; RAW_FILE_NAME(C8-POS)=B0058_XAV_BactReRun_CP-CI_CHG_6hr_1; RAW_FILE_NAME(HILIC-POS)=B0058_XAV_BactReRun_HP-CI_CHG_6hr_1 SUBJECT_SAMPLE_FACTORS - CI_CHG_24hr_3 Sample source:Culture | Species:Clostridium innocuum | Media:CHG | Replicate:R3 | Time:24 RAW_FILE_NAME(C18-NEG)=B0059_XAV_BactReRun_CN-CI_CHG_24hr_3; RAW_FILE_NAME(C8-POS)=B0059_XAV_BactReRun_CP-CI_CHG_24hr_3; RAW_FILE_NAME(HILIC-POS)=B0059_XAV_BactReRun_HP-CI_CHG_24hr_3 SUBJECT_SAMPLE_FACTORS - CI_CHG_0hr_2 Sample source:Culture | Species:Clostridium innocuum | Media:CHG | Replicate:R2 | Time:0 RAW_FILE_NAME(C18-NEG)=B0060_XAV_BactReRun_CN-CI_CHG_0hr_2; RAW_FILE_NAME(C8-POS)=B0060_XAV_BactReRun_CP-CI_CHG_0hr_2; RAW_FILE_NAME(HILIC-POS)=B0060_XAV_BactReRun_HP-CI_CHG_0hr_2 SUBJECT_SAMPLE_FACTORS - CI_CHG_0hr_3 Sample source:Culture | Species:Clostridium innocuum | Media:CHG | Replicate:R3 | Time:0 RAW_FILE_NAME(C18-NEG)=B0061_XAV_BactReRun_CN-CI_CHG_0hr_3; RAW_FILE_NAME(C8-POS)=B0061_XAV_BactReRun_CP-CI_CHG_0hr_3; RAW_FILE_NAME(HILIC-POS)=B0061_XAV_BactReRun_HP-CI_CHG_0hr_3 SUBJECT_SAMPLE_FACTORS - CI_CHG_6hr_2 Sample source:Culture | Species:Clostridium innocuum | Media:CHG | Replicate:R2 | Time:6 RAW_FILE_NAME(C18-NEG)=B0062_XAV_BactReRun_CN-CI_CHG_6hr_2; RAW_FILE_NAME(C8-POS)=B0062_XAV_BactReRun_CP-CI_CHG_6hr_2; RAW_FILE_NAME(HILIC-POS)=B0062_XAV_BactReRun_HP-CI_CHG_6hr_2 SUBJECT_SAMPLE_FACTORS - CI_CHG_0hr_1 Sample source:Culture | Species:Clostridium innocuum | Media:CHG | Replicate:R1 | Time:0 RAW_FILE_NAME(C18-NEG)=B0063_XAV_BactReRun_CN-CI_CHG_0hr_1; RAW_FILE_NAME(C8-POS)=B0063_XAV_BactReRun_CP-CI_CHG_0hr_1; RAW_FILE_NAME(HILIC-POS)=B0063_XAV_BactReRun_HP-CI_CHG_0hr_1 SUBJECT_SAMPLE_FACTORS - EC_CHG_24_2 Sample source:Culture | Species:Escherichia coli BL21(DE3) | Media:CHG | Replicate:R2 | Time:24 RAW_FILE_NAME(C18-NEG)=B0064_XAV_BactReRun_CN-EC_CHG_24_2; RAW_FILE_NAME(C8-POS)=B0064_XAV_BactReRun_CP-EC_CHG_24_2; RAW_FILE_NAME(HILIC-POS)=B0064_XAV_BactReRun_HP-EC_CHG_24_2 SUBJECT_SAMPLE_FACTORS - EC_CHG_24_1 Sample source:Culture | Species:Escherichia coli BL21(DE3) | Media:CHG | Replicate:R1 | Time:24 RAW_FILE_NAME(C18-NEG)=B0065_XAV_BactReRun_CN-EC_CHG_24_1; RAW_FILE_NAME(C8-POS)=B0065_XAV_BactReRun_CP-EC_CHG_24_1; RAW_FILE_NAME(HILIC-POS)=B0065_XAV_BactReRun_HP-EC_CHG_24_1 SUBJECT_SAMPLE_FACTORS - EC_CHG_24_3 Sample source:Culture | Species:Escherichia coli BL21(DE3) | Media:CHG | Replicate:R3 | Time:24 RAW_FILE_NAME(C18-NEG)=B0066_XAV_BactReRun_CN-EC_CHG_24_3; RAW_FILE_NAME(C8-POS)=B0066_XAV_BactReRun_CP-EC_CHG_24_3; RAW_FILE_NAME(HILIC-POS)=B0066_XAV_BactReRun_HP-EC_CHG_24_3 SUBJECT_SAMPLE_FACTORS - CI_Gifu_48hr_3 Sample source:Culture | Species:Clostridium innocuum | Media:Gifu | Replicate:R3 | Time:48 RAW_FILE_NAME(C18-NEG)=B0077_XAV_BactReRun_CN-CI_Gifu_48hr_3; RAW_FILE_NAME(C8-POS)=B0077_XAV_BactReRun_CP-CI_Gifu_48hr_3; RAW_FILE_NAME(HILIC-POS)=B0077_XAV_BactReRun_HP-CI_Gifu_48hr_3 SUBJECT_SAMPLE_FACTORS - CI_Gifu_24hr_2 Sample source:Culture | Species:Clostridium innocuum | Media:Gifu | Replicate:R2 | Time:24 RAW_FILE_NAME(C18-NEG)=B0078_XAV_BactReRun_CN-CI_Gifu_24hr_2; RAW_FILE_NAME(C8-POS)=B0078_XAV_BactReRun_CP-CI_Gifu_24hr_2; RAW_FILE_NAME(HILIC-POS)=B0078_XAV_BactReRun_HP-CI_Gifu_24hr_2 SUBJECT_SAMPLE_FACTORS - CI_Gifu_0hr_2 Sample source:Culture | Species:Clostridium innocuum | Media:Gifu | Replicate:R2 | Time:0 RAW_FILE_NAME(C18-NEG)=B0079_XAV_BactReRun_CN-CI_Gifu_0hr_2; RAW_FILE_NAME(C8-POS)=B0079_XAV_BactReRun_CP-CI_Gifu_0hr_2; RAW_FILE_NAME(HILIC-POS)=B0079_XAV_BactReRun_HP-CI_Gifu_0hr_2 SUBJECT_SAMPLE_FACTORS - CI_Gifu_0hr_3 Sample source:Culture | Species:Clostridium innocuum | Media:Gifu | Replicate:R3 | Time:0 RAW_FILE_NAME(C18-NEG)=B0080_XAV_BactReRun_CN-CI_Gifu_0hr_3; RAW_FILE_NAME(C8-POS)=B0080_XAV_BactReRun_CP-CI_Gifu_0hr_3; RAW_FILE_NAME(HILIC-POS)=B0080_XAV_BactReRun_HP-CI_Gifu_0hr_3 SUBJECT_SAMPLE_FACTORS - CI_Gifu_0hr_1 Sample source:Culture | Species:Clostridium innocuum | Media:Gifu | Replicate:R1 | Time:0 RAW_FILE_NAME(C18-NEG)=B0081_XAV_BactReRun_CN-CI_Gifu_0hr_1; RAW_FILE_NAME(C8-POS)=B0081_XAV_BactReRun_CP-CI_Gifu_0hr_1; RAW_FILE_NAME(HILIC-POS)=B0081_XAV_BactReRun_HP-CI_Gifu_0hr_1 SUBJECT_SAMPLE_FACTORS - CI_Gifu_24hr_3 Sample source:Culture | Species:Clostridium innocuum | Media:Gifu | Replicate:R3 | Time:24 RAW_FILE_NAME(C18-NEG)=B0082_XAV_BactReRun_CN-CI_Gifu_24hr_3; RAW_FILE_NAME(C8-POS)=B0082_XAV_BactReRun_CP-CI_Gifu_24hr_3; RAW_FILE_NAME(HILIC-POS)=B0082_XAV_BactReRun_HP-CI_Gifu_24hr_3 SUBJECT_SAMPLE_FACTORS - CI_Gifu_48hr_2 Sample source:Culture | Species:Clostridium innocuum | Media:Gifu | Replicate:R2 | Time:48 RAW_FILE_NAME(C18-NEG)=B0083_XAV_BactReRun_CN-CI_Gifu_48hr_2; RAW_FILE_NAME(C8-POS)=B0083_XAV_BactReRun_CP-CI_Gifu_48hr_2; RAW_FILE_NAME(HILIC-POS)=B0083_XAV_BactReRun_HP-CI_Gifu_48hr_2 SUBJECT_SAMPLE_FACTORS - CI_Gifu_6hr_1 Sample source:Culture | Species:Clostridium innocuum | Media:Gifu | Replicate:R1 | Time:6 RAW_FILE_NAME(C18-NEG)=B0084_XAV_BactReRun_CN-CI_Gifu_6hr_1; RAW_FILE_NAME(C8-POS)=B0084_XAV_BactReRun_CP-CI_Gifu_6hr_1; RAW_FILE_NAME(HILIC-POS)=B0084_XAV_BactReRun_HP-CI_Gifu_6hr_1 SUBJECT_SAMPLE_FACTORS - CI_Gifu_48hr_1 Sample source:Culture | Species:Clostridium innocuum | Media:Gifu | Replicate:R1 | Time:48 RAW_FILE_NAME(C18-NEG)=B0085_XAV_BactReRun_CN-CI_Gifu_48hr_1; RAW_FILE_NAME(C8-POS)=B0085_XAV_BactReRun_CP-CI_Gifu_48hr_1; RAW_FILE_NAME(HILIC-POS)=B0085_XAV_BactReRun_HP-CI_Gifu_48hr_1 SUBJECT_SAMPLE_FACTORS - CI_Gifu_6hr_3 Sample source:Culture | Species:Clostridium innocuum | Media:Gifu | Replicate:R3 | Time:6 RAW_FILE_NAME(C18-NEG)=B0086_XAV_BactReRun_CN-CI_Gifu_6hr_3; RAW_FILE_NAME(C8-POS)=B0086_XAV_BactReRun_CP-CI_Gifu_6hr_3; RAW_FILE_NAME(HILIC-POS)=B0086_XAV_BactReRun_HP-CI_Gifu_6hr_3 SUBJECT_SAMPLE_FACTORS - CI_Gifu_6hr_2 Sample source:Culture | Species:Clostridium innocuum | Media:Gifu | Replicate:R2 | Time:6 RAW_FILE_NAME(C18-NEG)=B0087_XAV_BactReRun_CN-CI_Gifu_6hr_2; RAW_FILE_NAME(C8-POS)=B0087_XAV_BactReRun_CP-CI_Gifu_6hr_2; RAW_FILE_NAME(HILIC-POS)=B0087_XAV_BactReRun_HP-CI_Gifu_6hr_2 SUBJECT_SAMPLE_FACTORS - CI_Gifu_24hr_1 Sample source:Culture | Species:Clostridium innocuum | Media:Gifu | Replicate:R1 | Time:24 RAW_FILE_NAME(C18-NEG)=B0088_XAV_BactReRun_CN-CI_Gifu_24hr_1; RAW_FILE_NAME(C8-POS)=B0088_XAV_BactReRun_CP-CI_Gifu_24hr_1; RAW_FILE_NAME(HILIC-POS)=B0088_XAV_BactReRun_HP-CI_Gifu_24hr_1 SUBJECT_SAMPLE_FACTORS - SI_Gifu_6hr_3 Sample source:Culture | Species:Streptococcus infantis | Media:Gifu | Replicate:R3 | Time:6 RAW_FILE_NAME(C18-NEG)=B0089_XAV_BactReRun_CN-SI_Gifu_6hr_3; RAW_FILE_NAME(C8-POS)=B0089_XAV_BactReRun_CP-SI_Gifu_6hr_3; RAW_FILE_NAME(HILIC-POS)=B0089_XAV_BactReRun_HP-SI_Gifu_6hr_3 SUBJECT_SAMPLE_FACTORS - SI_Gifu_48hr_1 Sample source:Culture | Species:Streptococcus infantis | Media:Gifu | Replicate:R1 | Time:48 RAW_FILE_NAME(C18-NEG)=B0091_XAV_BactReRun_CN-SI_Gifu_48hr_1; RAW_FILE_NAME(C8-POS)=B0091_XAV_BactReRun_CP-SI_Gifu_48hr_1; RAW_FILE_NAME(HILIC-POS)=B0091_XAV_BactReRun_HP-SI_Gifu_48hr_1 SUBJECT_SAMPLE_FACTORS - SI_Gifu_0hr_1 Sample source:Culture | Species:Streptococcus infantis | Media:Gifu | Replicate:R1 | Time:0 RAW_FILE_NAME(C18-NEG)=B0092_XAV_BactReRun_CN-SI_Gifu_0hr_1; RAW_FILE_NAME(C8-POS)=B0092_XAV_BactReRun_CP-SI_Gifu_0hr_1; RAW_FILE_NAME(HILIC-POS)=B0092_XAV_BactReRun_HP-SI_Gifu_0hr_1 SUBJECT_SAMPLE_FACTORS - SI_Gifu_0hr_3 Sample source:Culture | Species:Streptococcus infantis | Media:Gifu | Replicate:R3 | Time:0 RAW_FILE_NAME(C18-NEG)=B0093_XAV_BactReRun_CN-SI_Gifu_0hr_3; RAW_FILE_NAME(C8-POS)=B0093_XAV_BactReRun_CP-SI_Gifu_0hr_3; RAW_FILE_NAME(HILIC-POS)=B0093_XAV_BactReRun_HP-SI_Gifu_0hr_3 SUBJECT_SAMPLE_FACTORS - SI_Gifu_48hr_3 Sample source:Culture | Species:Streptococcus infantis | Media:Gifu | Replicate:R3 | Time:48 RAW_FILE_NAME(C18-NEG)=B0094_XAV_BactReRun_CN-SI_Gifu_48hr_3; RAW_FILE_NAME(C8-POS)=B0094_XAV_BactReRun_CP-SI_Gifu_48hr_3; RAW_FILE_NAME(HILIC-POS)=B0094_XAV_BactReRun_HP-SI_Gifu_48hr_3 SUBJECT_SAMPLE_FACTORS - SI_Gifu_0hr_2 Sample source:Culture | Species:Streptococcus infantis | Media:Gifu | Replicate:R2 | Time:0 RAW_FILE_NAME(C18-NEG)=B0095_XAV_BactReRun_CN-SI_Gifu_0hr_2; RAW_FILE_NAME(C8-POS)=B0095_XAV_BactReRun_CP-SI_Gifu_0hr_2; RAW_FILE_NAME(HILIC-POS)=B0095_XAV_BactReRun_HP-SI_Gifu_0hr_2 SUBJECT_SAMPLE_FACTORS - SI_Gifu_24hr_3 Sample source:Culture | Species:Streptococcus infantis | Media:Gifu | Replicate:R3 | Time:24 RAW_FILE_NAME(C18-NEG)=B0096_XAV_BactReRun_CN-SI_Gifu_24hr_3; RAW_FILE_NAME(C8-POS)=B0096_XAV_BactReRun_CP-SI_Gifu_24hr_3; RAW_FILE_NAME(HILIC-POS)=B0096_XAV_BactReRun_HP-SI_Gifu_24hr_3 SUBJECT_SAMPLE_FACTORS - SI_Gifu_6hr_1 Sample source:Culture | Species:Streptococcus infantis | Media:Gifu | Replicate:R1 | Time:6 RAW_FILE_NAME(C18-NEG)=B0097_XAV_BactReRun_CN-SI_Gifu_6hr_1; RAW_FILE_NAME(C8-POS)=B0097_XAV_BactReRun_CP-SI_Gifu_6hr_1; RAW_FILE_NAME(HILIC-POS)=B0097_XAV_BactReRun_HP-SI_Gifu_6hr_1 SUBJECT_SAMPLE_FACTORS - SI_Gifu_48hr_2 Sample source:Culture | Species:Streptococcus infantis | Media:Gifu | Replicate:R2 | Time:48 RAW_FILE_NAME(C18-NEG)=B0098_XAV_BactReRun_CN-SI_Gifu_48hr_2; RAW_FILE_NAME(C8-POS)=B0098_XAV_BactReRun_CP-SI_Gifu_48hr_2; RAW_FILE_NAME(HILIC-POS)=B0098_XAV_BactReRun_HP-SI_Gifu_48hr_2 SUBJECT_SAMPLE_FACTORS - SI_Gifu_24hr_1 Sample source:Culture | Species:Streptococcus infantis | Media:Gifu | Replicate:R1 | Time:24 RAW_FILE_NAME(C18-NEG)=B0099_XAV_BactReRun_CN-SI_Gifu_24hr_1; RAW_FILE_NAME(C8-POS)=B0099_XAV_BactReRun_CP-SI_Gifu_24hr_1; RAW_FILE_NAME(HILIC-POS)=B0099_XAV_BactReRun_HP-SI_Gifu_24hr_1 SUBJECT_SAMPLE_FACTORS - SI_Gifu_24hr_2 Sample source:Culture | Species:Streptococcus infantis | Media:Gifu | Replicate:R2 | Time:24 RAW_FILE_NAME(C18-NEG)=B0100_XAV_BactReRun_CN-SI_Gifu_24hr_2; RAW_FILE_NAME(C8-POS)=B0100_XAV_BactReRun_CP-SI_Gifu_24hr_2; RAW_FILE_NAME(HILIC-POS)=B0100_XAV_BactReRun_HP-SI_Gifu_24hr_2 SUBJECT_SAMPLE_FACTORS - Gifu_0hr_3 Sample source:Culture | Species:NA | Media:Gifu | Replicate:R3 | Time:0 RAW_FILE_NAME(C18-NEG)=B0101_XAV_BactReRun_CN-Gifu_0hr_3; RAW_FILE_NAME(C8-POS)=B0101_XAV_BactReRun_CP-Gifu_0hr_3; RAW_FILE_NAME(HILIC-POS)=B0101_XAV_BactReRun_HP-Gifu_0hr_3 SUBJECT_SAMPLE_FACTORS - Gifu_6hr_1 Sample source:Culture | Species:NA | Media:Gifu | Replicate:R1 | Time:6 RAW_FILE_NAME(C18-NEG)=B0102_XAV_BactReRun_CN-Gifu_6hr_1; RAW_FILE_NAME(C8-POS)=B0102_XAV_BactReRun_CP-Gifu_6hr_1; RAW_FILE_NAME(HILIC-POS)=B0102_XAV_BactReRun_HP-Gifu_6hr_1 SUBJECT_SAMPLE_FACTORS - Gifu_0hr_1 Sample source:Culture | Species:NA | Media:Gifu | Replicate:R1 | Time:0 RAW_FILE_NAME(C18-NEG)=B0103_XAV_BactReRun_CN-Gifu_0hr_1; RAW_FILE_NAME(C8-POS)=B0103_XAV_BactReRun_CP-Gifu_0hr_1; RAW_FILE_NAME(HILIC-POS)=B0103_XAV_BactReRun_HP-Gifu_0hr_1 SUBJECT_SAMPLE_FACTORS - Gifu_6hr_3 Sample source:Culture | Species:NA | Media:Gifu | Replicate:R3 | Time:6 RAW_FILE_NAME(C18-NEG)=B0104_XAV_BactReRun_CN-Gifu_6hr_3; RAW_FILE_NAME(C8-POS)=B0104_XAV_BactReRun_CP-Gifu_6hr_3; RAW_FILE_NAME(HILIC-POS)=B0104_XAV_BactReRun_HP-Gifu_6hr_3 SUBJECT_SAMPLE_FACTORS - Gifu_24hr_2 Sample source:Culture | Species:NA | Media:Gifu | Replicate:R2 | Time:24 RAW_FILE_NAME(C18-NEG)=B0105_XAV_BactReRun_CN-Gifu_24hr_2; RAW_FILE_NAME(C8-POS)=B0105_XAV_BactReRun_CP-Gifu_24hr_2; RAW_FILE_NAME(HILIC-POS)=B0105_XAV_BactReRun_HP-Gifu_24hr_2 SUBJECT_SAMPLE_FACTORS - Gifu_48hr_2 Sample source:Culture | Species:NA | Media:Gifu | Replicate:R2 | Time:48 RAW_FILE_NAME(C18-NEG)=B0106_XAV_BactReRun_CN-Gifu_48hr_2; RAW_FILE_NAME(C8-POS)=B0106_XAV_BactReRun_CP-Gifu_48hr_2; RAW_FILE_NAME(HILIC-POS)=B0106_XAV_BactReRun_HP-Gifu_48hr_2 SUBJECT_SAMPLE_FACTORS - Gifu_48hr_3 Sample source:Culture | Species:NA | Media:Gifu | Replicate:R3 | Time:48 RAW_FILE_NAME(C18-NEG)=B0107_XAV_BactReRun_CN-Gifu_48hr_3; RAW_FILE_NAME(C8-POS)=B0107_XAV_BactReRun_CP-Gifu_48hr_3; RAW_FILE_NAME(HILIC-POS)=B0107_XAV_BactReRun_HP-Gifu_48hr_3 SUBJECT_SAMPLE_FACTORS - Gifu_24hr_3 Sample source:Culture | Species:NA | Media:Gifu | Replicate:R3 | Time:24 RAW_FILE_NAME(C18-NEG)=B0108_XAV_BactReRun_CN-Gifu_24hr_3; RAW_FILE_NAME(C8-POS)=B0108_XAV_BactReRun_CP-Gifu_24hr_3; RAW_FILE_NAME(HILIC-POS)=B0108_XAV_BactReRun_HP-Gifu_24hr_3 SUBJECT_SAMPLE_FACTORS - Gifu_48hr_1 Sample source:Culture | Species:NA | Media:Gifu | Replicate:R1 | Time:48 RAW_FILE_NAME(C18-NEG)=B0109_XAV_BactReRun_CN-Gifu_48hr_1; RAW_FILE_NAME(C8-POS)=B0109_XAV_BactReRun_CP-Gifu_48hr_1; RAW_FILE_NAME(HILIC-POS)=B0109_XAV_BactReRun_HP-Gifu_48hr_1 SUBJECT_SAMPLE_FACTORS - Gifu_24hr_1 Sample source:Culture | Species:NA | Media:Gifu | Replicate:R1 | Time:24 RAW_FILE_NAME(C18-NEG)=B0110_XAV_BactReRun_CN-Gifu_24hr_1; RAW_FILE_NAME(C8-POS)=B0110_XAV_BactReRun_CP-Gifu_24hr_1; RAW_FILE_NAME(HILIC-POS)=B0110_XAV_BactReRun_HP-Gifu_24hr_1 SUBJECT_SAMPLE_FACTORS - Gifu_0hr_2 Sample source:Culture | Species:NA | Media:Gifu | Replicate:R2 | Time:0 RAW_FILE_NAME(C18-NEG)=B0111_XAV_BactReRun_CN-Gifu_0hr_2; RAW_FILE_NAME(C8-POS)=B0111_XAV_BactReRun_CP-Gifu_0hr_2; RAW_FILE_NAME(HILIC-POS)=B0111_XAV_BactReRun_HP-Gifu_0hr_2 SUBJECT_SAMPLE_FACTORS - Gifu_6hr_2 Sample source:Culture | Species:NA | Media:Gifu | Replicate:R2 | Time:6 RAW_FILE_NAME(C18-NEG)=B0112_XAV_BactReRun_CN-Gifu_6hr_2; RAW_FILE_NAME(C8-POS)=B0112_XAV_BactReRun_CP-Gifu_6hr_2; RAW_FILE_NAME(HILIC-POS)=B0112_XAV_BactReRun_HP-Gifu_6hr_2 SUBJECT_SAMPLE_FACTORS - SP_Gifu_48hr_2 Sample source:Culture | Species:Streptococcus parasanguinis | Media:Gifu | Replicate:R2 | Time:48 RAW_FILE_NAME(C18-NEG)=B0113_XAV_BactReRun_CN-SP_Gifu_48hr_2; RAW_FILE_NAME(C8-POS)=B0113_XAV_BactReRun_CP-SP_Gifu_48hr_2; RAW_FILE_NAME(HILIC-POS)=B0113_XAV_BactReRun_HP-SP_Gifu_48hr_2 SUBJECT_SAMPLE_FACTORS - SP_Gifu_48hr_3 Sample source:Culture | Species:Streptococcus parasanguinis | Media:Gifu | Replicate:R3 | Time:48 RAW_FILE_NAME(C18-NEG)=B0114_XAV_BactReRun_CN-SP_Gifu_48hr_3; RAW_FILE_NAME(C8-POS)=B0114_XAV_BactReRun_CP-SP_Gifu_48hr_3; RAW_FILE_NAME(HILIC-POS)=B0114_XAV_BactReRun_HP-SP_Gifu_48hr_3 SUBJECT_SAMPLE_FACTORS - SP_Gifu_24hr_3 Sample source:Culture | Species:Streptococcus parasanguinis | Media:Gifu | Replicate:R3 | Time:24 RAW_FILE_NAME(C18-NEG)=B0115_XAV_BactReRun_CN-SP_Gifu_24hr_3; RAW_FILE_NAME(C8-POS)=B0115_XAV_BactReRun_CP-SP_Gifu_24hr_3; RAW_FILE_NAME(HILIC-POS)=B0115_XAV_BactReRun_HP-SP_Gifu_24hr_3 SUBJECT_SAMPLE_FACTORS - SP_Gifu_0hr_1 Sample source:Culture | Species:Streptococcus parasanguinis | Media:Gifu | Replicate:R1 | Time:0 RAW_FILE_NAME(C18-NEG)=B0116_XAV_BactReRun_CN-SP_Gifu_0hr_1; RAW_FILE_NAME(C8-POS)=B0116_XAV_BactReRun_CP-SP_Gifu_0hr_1; RAW_FILE_NAME(HILIC-POS)=B0116_XAV_BactReRun_HP-SP_Gifu_0hr_1 SUBJECT_SAMPLE_FACTORS - SP_Gifu_6hr_1 Sample source:Culture | Species:Streptococcus parasanguinis | Media:Gifu | Replicate:R1 | Time:6 RAW_FILE_NAME(C18-NEG)=B0117_XAV_BactReRun_CN-SP_Gifu_6hr_1; RAW_FILE_NAME(C8-POS)=B0117_XAV_BactReRun_CP-SP_Gifu_6hr_1; RAW_FILE_NAME(HILIC-POS)=B0117_XAV_BactReRun_HP-SP_Gifu_6hr_1 SUBJECT_SAMPLE_FACTORS - SP_Gifu_6hr_3 Sample source:Culture | Species:Streptococcus parasanguinis | Media:Gifu | Replicate:R3 | Time:6 RAW_FILE_NAME(C18-NEG)=B0118_XAV_BactReRun_CN-SP_Gifu_6hr_3; RAW_FILE_NAME(C8-POS)=B0118_XAV_BactReRun_CP-SP_Gifu_6hr_3; RAW_FILE_NAME(HILIC-POS)=B0118_XAV_BactReRun_HP-SP_Gifu_6hr_3 SUBJECT_SAMPLE_FACTORS - SP_Gifu_24hr_2 Sample source:Culture | Species:Streptococcus parasanguinis | Media:Gifu | Replicate:R2 | Time:24 RAW_FILE_NAME(C18-NEG)=B0119_XAV_BactReRun_CN-SP_Gifu_24hr_2; RAW_FILE_NAME(C8-POS)=B0119_XAV_BactReRun_CP-SP_Gifu_24hr_2; RAW_FILE_NAME(HILIC-POS)=B0119_XAV_BactReRun_HP-SP_Gifu_24hr_2 SUBJECT_SAMPLE_FACTORS - SP_Gifu_24hr_1 Sample source:Culture | Species:Streptococcus parasanguinis | Media:Gifu | Replicate:R1 | Time:24 RAW_FILE_NAME(C18-NEG)=B0120_XAV_BactReRun_CN-SP_Gifu_24hr_1; RAW_FILE_NAME(C8-POS)=B0120_XAV_BactReRun_CP-SP_Gifu_24hr_1; RAW_FILE_NAME(HILIC-POS)=B0120_XAV_BactReRun_HP-SP_Gifu_24hr_1 SUBJECT_SAMPLE_FACTORS - SP_Gifu_6hr_2 Sample source:Culture | Species:Streptococcus parasanguinis | Media:Gifu | Replicate:R2 | Time:6 RAW_FILE_NAME(C18-NEG)=B0121_XAV_BactReRun_CN-SP_Gifu_6hr_2; RAW_FILE_NAME(C8-POS)=B0121_XAV_BactReRun_CP-SP_Gifu_6hr_2; RAW_FILE_NAME(HILIC-POS)=B0121_XAV_BactReRun_HP-SP_Gifu_6hr_2 SUBJECT_SAMPLE_FACTORS - SP_Gifu_0hr_3 Sample source:Culture | Species:Streptococcus parasanguinis | Media:Gifu | Replicate:R3 | Time:0 RAW_FILE_NAME(C18-NEG)=B0122_XAV_BactReRun_CN-SP_Gifu_0hr_3; RAW_FILE_NAME(C8-POS)=B0122_XAV_BactReRun_CP-SP_Gifu_0hr_3; RAW_FILE_NAME(HILIC-POS)=B0122_XAV_BactReRun_HP-SP_Gifu_0hr_3 SUBJECT_SAMPLE_FACTORS - SP_Gifu_0hr_2 Sample source:Culture | Species:Streptococcus parasanguinis | Media:Gifu | Replicate:R2 | Time:0 RAW_FILE_NAME(C18-NEG)=B0123_XAV_BactReRun_CN-SP_Gifu_0hr_2; RAW_FILE_NAME(C8-POS)=B0123_XAV_BactReRun_CP-SP_Gifu_0hr_2; RAW_FILE_NAME(HILIC-POS)=B0123_XAV_BactReRun_HP-SP_Gifu_0hr_2 SUBJECT_SAMPLE_FACTORS - SP_Gifu_48hr_1 Sample source:Culture | Species:Streptococcus parasanguinis | Media:Gifu | Replicate:R1 | Time:48 RAW_FILE_NAME(C18-NEG)=B0124_XAV_BactReRun_CN-SP_Gifu_48hr_1; RAW_FILE_NAME(C8-POS)=B0124_XAV_BactReRun_CP-SP_Gifu_48hr_1; RAW_FILE_NAME(HILIC-POS)=B0124_XAV_BactReRun_HP-SP_Gifu_48hr_1 SUBJECT_SAMPLE_FACTORS - BL_Gifu_6hr_1 Sample source:Culture | Species:Bifidobacterium longum | Media:Gifu | Replicate:R1 | Time:6 RAW_FILE_NAME(C18-NEG)=B0125_XAV_BactReRun_CN-BL_Gifu_6hr_1; RAW_FILE_NAME(C8-POS)=B0125_XAV_BactReRun_CP-BL_Gifu_6hr_1; RAW_FILE_NAME(HILIC-POS)=B0125_XAV_BactReRun_HP-BL_Gifu_6hr_1 SUBJECT_SAMPLE_FACTORS - BL_Gifu_24hr_3 Sample source:Culture | Species:Bifidobacterium longum | Media:Gifu | Replicate:R3 | Time:24 RAW_FILE_NAME(C18-NEG)=B0126_XAV_BactReRun_CN-BL_Gifu_24hr_3; RAW_FILE_NAME(C8-POS)=B0126_XAV_BactReRun_CP-BL_Gifu_24hr_3; RAW_FILE_NAME(HILIC-POS)=B0126_XAV_BactReRun_HP-BL_Gifu_24hr_3 SUBJECT_SAMPLE_FACTORS - BL_Gifu_0hr_3 Sample source:Culture | Species:Bifidobacterium longum | Media:Gifu | Replicate:R3 | Time:0 RAW_FILE_NAME(C18-NEG)=B0127_XAV_BactReRun_CN-BL_Gifu_0hr_3; RAW_FILE_NAME(C8-POS)=B0127_XAV_BactReRun_CP-BL_Gifu_0hr_3; RAW_FILE_NAME(HILIC-POS)=B0127_XAV_BactReRun_HP-BL_Gifu_0hr_3 SUBJECT_SAMPLE_FACTORS - BL_Gifu_0hr_1 Sample source:Culture | Species:Bifidobacterium longum | Media:Gifu | Replicate:R1 | Time:0 RAW_FILE_NAME(C18-NEG)=B0128_XAV_BactReRun_CN-BL_Gifu_0hr_1; RAW_FILE_NAME(C8-POS)=B0128_XAV_BactReRun_CP-BL_Gifu_0hr_1; RAW_FILE_NAME(HILIC-POS)=B0128_XAV_BactReRun_HP-BL_Gifu_0hr_1 SUBJECT_SAMPLE_FACTORS - BL_Gifu_48hr_3 Sample source:Culture | Species:Bifidobacterium longum | Media:Gifu | Replicate:R3 | Time:48 RAW_FILE_NAME(C18-NEG)=B0129_XAV_BactReRun_CN-BL_Gifu_48hr_3; RAW_FILE_NAME(C8-POS)=B0129_XAV_BactReRun_CP-BL_Gifu_48hr_3; RAW_FILE_NAME(HILIC-POS)=B0129_XAV_BactReRun_HP-BL_Gifu_48hr_3 SUBJECT_SAMPLE_FACTORS - BL_Gifu_24hr_1 Sample source:Culture | Species:Bifidobacterium longum | Media:Gifu | Replicate:R1 | Time:24 RAW_FILE_NAME(C18-NEG)=B0130_XAV_BactReRun_CN-BL_Gifu_24hr_1; RAW_FILE_NAME(C8-POS)=B0130_XAV_BactReRun_CP-BL_Gifu_24hr_1; RAW_FILE_NAME(HILIC-POS)=B0130_XAV_BactReRun_HP-BL_Gifu_24hr_1 SUBJECT_SAMPLE_FACTORS - BL_Gifu_0hr_2 Sample source:Culture | Species:Bifidobacterium longum | Media:Gifu | Replicate:R2 | Time:0 RAW_FILE_NAME(C18-NEG)=B0131_XAV_BactReRun_CN-BL_Gifu_0hr_2; RAW_FILE_NAME(C8-POS)=B0131_XAV_BactReRun_CP-BL_Gifu_0hr_2; RAW_FILE_NAME(HILIC-POS)=B0131_XAV_BactReRun_HP-BL_Gifu_0hr_2 SUBJECT_SAMPLE_FACTORS - BL_Gifu_24hr_2 Sample source:Culture | Species:Bifidobacterium longum | Media:Gifu | Replicate:R2 | Time:24 RAW_FILE_NAME(C18-NEG)=B0132_XAV_BactReRun_CN-BL_Gifu_24hr_2; RAW_FILE_NAME(C8-POS)=B0132_XAV_BactReRun_CP-BL_Gifu_24hr_2; RAW_FILE_NAME(HILIC-POS)=B0132_XAV_BactReRun_HP-BL_Gifu_24hr_2 SUBJECT_SAMPLE_FACTORS - BL_Gifu_6hr_2 Sample source:Culture | Species:Bifidobacterium longum | Media:Gifu | Replicate:R2 | Time:6 RAW_FILE_NAME(C18-NEG)=B0133_XAV_BactReRun_CN-BL_Gifu_6hr_2; RAW_FILE_NAME(C8-POS)=B0133_XAV_BactReRun_CP-BL_Gifu_6hr_2; RAW_FILE_NAME(HILIC-POS)=B0133_XAV_BactReRun_HP-BL_Gifu_6hr_2 SUBJECT_SAMPLE_FACTORS - BL_Gifu_6hr_3 Sample source:Culture | Species:Bifidobacterium longum | Media:Gifu | Replicate:R3 | Time:6 RAW_FILE_NAME(C18-NEG)=B0134_XAV_BactReRun_CN-BL_Gifu_6hr_3; RAW_FILE_NAME(C8-POS)=B0134_XAV_BactReRun_CP-BL_Gifu_6hr_3; RAW_FILE_NAME(HILIC-POS)=B0134_XAV_BactReRun_HP-BL_Gifu_6hr_3 SUBJECT_SAMPLE_FACTORS - BL_Gifu_48hr_2 Sample source:Culture | Species:Bifidobacterium longum | Media:Gifu | Replicate:R2 | Time:48 RAW_FILE_NAME(C18-NEG)=B0135_XAV_BactReRun_CN-BL_Gifu_48hr_2; RAW_FILE_NAME(C8-POS)=B0135_XAV_BactReRun_CP-BL_Gifu_48hr_2; RAW_FILE_NAME(HILIC-POS)=B0135_XAV_BactReRun_HP-BL_Gifu_48hr_2 SUBJECT_SAMPLE_FACTORS - BL_Gifu_48hr_1 Sample source:Culture | Species:Bifidobacterium longum | Media:Gifu | Replicate:R1 | Time:48 RAW_FILE_NAME(C18-NEG)=B0136_XAV_BactReRun_CN-BL_Gifu_48hr_1; RAW_FILE_NAME(C8-POS)=B0136_XAV_BactReRun_CP-BL_Gifu_48hr_1; RAW_FILE_NAME(HILIC-POS)=B0136_XAV_BactReRun_HP-BL_Gifu_48hr_1 SUBJECT_SAMPLE_FACTORS - SP_Mega_24hr_2 Sample source:Culture | Species:Streptococcus parasanguinis | Media:Mega | Replicate:R2 | Time:24 RAW_FILE_NAME(C18-NEG)=B0137_XAV_BactReRun_CN-SP_Mega_24hr_2; RAW_FILE_NAME(C8-POS)=B0137_XAV_BactReRun_CP-SP_Mega_24hr_2; RAW_FILE_NAME(HILIC-POS)=B0137_XAV_BactReRun_HP-SP_Mega_24hr_2 SUBJECT_SAMPLE_FACTORS - SP_Mega_24hr_1 Sample source:Culture | Species:Streptococcus parasanguinis | Media:Mega | Replicate:R1 | Time:24 RAW_FILE_NAME(C18-NEG)=B0138_XAV_BactReRun_CN-SP_Mega_24hr_1; RAW_FILE_NAME(C8-POS)=B0138_XAV_BactReRun_CP-SP_Mega_24hr_1; RAW_FILE_NAME(HILIC-POS)=B0138_XAV_BactReRun_HP-SP_Mega_24hr_1 SUBJECT_SAMPLE_FACTORS - SP_Mega_48hr_2 Sample source:Culture | Species:Streptococcus parasanguinis | Media:Mega | Replicate:R2 | Time:48 RAW_FILE_NAME(C18-NEG)=B0139_XAV_BactReRun_CN-SP_Mega_48hr_2; RAW_FILE_NAME(C8-POS)=B0139_XAV_BactReRun_CP-SP_Mega_48hr_2; RAW_FILE_NAME(HILIC-POS)=B0139_XAV_BactReRun_HP-SP_Mega_48hr_2 SUBJECT_SAMPLE_FACTORS - SP_Mega_6hr_1 Sample source:Culture | Species:Streptococcus parasanguinis | Media:Mega | Replicate:R1 | Time:6 RAW_FILE_NAME(C18-NEG)=B0140_XAV_BactReRun_CN-SP_Mega_6hr_1; RAW_FILE_NAME(C8-POS)=B0140_XAV_BactReRun_CP-SP_Mega_6hr_1; RAW_FILE_NAME(HILIC-POS)=B0140_XAV_BactReRun_HP-SP_Mega_6hr_1 SUBJECT_SAMPLE_FACTORS - SP_Mega_6hr_3 Sample source:Culture | Species:Streptococcus parasanguinis | Media:Mega | Replicate:R3 | Time:6 RAW_FILE_NAME(C18-NEG)=B0141_XAV_BactReRun_CN-SP_Mega_6hr_3; RAW_FILE_NAME(C8-POS)=B0141_XAV_BactReRun_CP-SP_Mega_6hr_3; RAW_FILE_NAME(HILIC-POS)=B0141_XAV_BactReRun_HP-SP_Mega_6hr_3 SUBJECT_SAMPLE_FACTORS - SP_Mega_48hr_3 Sample source:Culture | Species:Streptococcus parasanguinis | Media:Mega | Replicate:R3 | Time:48 RAW_FILE_NAME(C18-NEG)=B0142_XAV_BactReRun_CN-SP_Mega_48hr_3; RAW_FILE_NAME(C8-POS)=B0142_XAV_BactReRun_CP-SP_Mega_48hr_3; RAW_FILE_NAME(HILIC-POS)=B0142_XAV_BactReRun_HP-SP_Mega_48hr_3 SUBJECT_SAMPLE_FACTORS - SP_Mega_24hr_3 Sample source:Culture | Species:Streptococcus parasanguinis | Media:Mega | Replicate:R3 | Time:24 RAW_FILE_NAME(C18-NEG)=B0143_XAV_BactReRun_CN-SP_Mega_24hr_3; RAW_FILE_NAME(C8-POS)=B0143_XAV_BactReRun_CP-SP_Mega_24hr_3; RAW_FILE_NAME(HILIC-POS)=B0143_XAV_BactReRun_HP-SP_Mega_24hr_3 SUBJECT_SAMPLE_FACTORS - SP_Mega_0hr_2 Sample source:Culture | Species:Streptococcus parasanguinis | Media:Mega | Replicate:R2 | Time:0 RAW_FILE_NAME(C18-NEG)=B0144_XAV_BactReRun_CN-SP_Mega_0hr_2; RAW_FILE_NAME(C8-POS)=B0144_XAV_BactReRun_CP-SP_Mega_0hr_2; RAW_FILE_NAME(HILIC-POS)=B0144_XAV_BactReRun_HP-SP_Mega_0hr_2 SUBJECT_SAMPLE_FACTORS - SP_Mega_0hr_3 Sample source:Culture | Species:Streptococcus parasanguinis | Media:Mega | Replicate:R3 | Time:0 RAW_FILE_NAME(C18-NEG)=B0145_XAV_BactReRun_CN-SP_Mega_0hr_3; RAW_FILE_NAME(C8-POS)=B0145_XAV_BactReRun_CP-SP_Mega_0hr_3; RAW_FILE_NAME(HILIC-POS)=B0145_XAV_BactReRun_HP-SP_Mega_0hr_3 SUBJECT_SAMPLE_FACTORS - SP_Mega_48hr_1 Sample source:Culture | Species:Streptococcus parasanguinis | Media:Mega | Replicate:R1 | Time:48 RAW_FILE_NAME(C18-NEG)=B0146_XAV_BactReRun_CN-SP_Mega_48hr_1; RAW_FILE_NAME(C8-POS)=B0146_XAV_BactReRun_CP-SP_Mega_48hr_1; RAW_FILE_NAME(HILIC-POS)=B0146_XAV_BactReRun_HP-SP_Mega_48hr_1 SUBJECT_SAMPLE_FACTORS - SP_Mega_0hr_1 Sample source:Culture | Species:Streptococcus parasanguinis | Media:Mega | Replicate:R1 | Time:0 RAW_FILE_NAME(C18-NEG)=B0147_XAV_BactReRun_CN-SP_Mega_0hr_1; RAW_FILE_NAME(C8-POS)=B0147_XAV_BactReRun_CP-SP_Mega_0hr_1; RAW_FILE_NAME(HILIC-POS)=B0147_XAV_BactReRun_HP-SP_Mega_0hr_1 SUBJECT_SAMPLE_FACTORS - SP_Mega_6hr_2 Sample source:Culture | Species:Streptococcus parasanguinis | Media:Mega | Replicate:R2 | Time:6 RAW_FILE_NAME(C18-NEG)=B0148_XAV_BactReRun_CN-SP_Mega_6hr_2; RAW_FILE_NAME(C8-POS)=B0148_XAV_BactReRun_CP-SP_Mega_6hr_2; RAW_FILE_NAME(HILIC-POS)=B0148_XAV_BactReRun_HP-SP_Mega_6hr_2 SUBJECT_SAMPLE_FACTORS - BL_Mega_6hr_1 Sample source:Culture | Species:Bifidobacterium longum | Media:Mega | Replicate:R1 | Time:6 RAW_FILE_NAME(C18-NEG)=B0149_XAV_BactReRun_CN-BL_Mega_6hr_1; RAW_FILE_NAME(C8-POS)=B0149_XAV_BactReRun_CP-BL_Mega_6hr_1; RAW_FILE_NAME(HILIC-POS)=B0149_XAV_BactReRun_HP-BL_Mega_6hr_1 SUBJECT_SAMPLE_FACTORS - BL_Mega_24hr_2 Sample source:Culture | Species:Bifidobacterium longum | Media:Mega | Replicate:R2 | Time:24 RAW_FILE_NAME(C18-NEG)=B0150_XAV_BactReRun_CN-BL_Mega_24hr_2; RAW_FILE_NAME(C8-POS)=B0150_XAV_BactReRun_CP-BL_Mega_24hr_2; RAW_FILE_NAME(HILIC-POS)=B0150_XAV_BactReRun_HP-BL_Mega_24hr_2 SUBJECT_SAMPLE_FACTORS - BL_Mega_0hr_3 Sample source:Culture | Species:Bifidobacterium longum | Media:Mega | Replicate:R3 | Time:0 RAW_FILE_NAME(C18-NEG)=B0151_XAV_BactReRun_CN-BL_Mega_0hr_3; RAW_FILE_NAME(C8-POS)=B0151_XAV_BactReRun_CP-BL_Mega_0hr_3; RAW_FILE_NAME(HILIC-POS)=B0151_XAV_BactReRun_HP-BL_Mega_0hr_3 SUBJECT_SAMPLE_FACTORS - BL_Mega_48hr_1 Sample source:Culture | Species:Bifidobacterium longum | Media:Mega | Replicate:R1 | Time:48 RAW_FILE_NAME(C18-NEG)=B0152_XAV_BactReRun_CN-BL_Mega_48hr_1; RAW_FILE_NAME(C8-POS)=B0152_XAV_BactReRun_CP-BL_Mega_48hr_1; RAW_FILE_NAME(HILIC-POS)=B0152_XAV_BactReRun_HP-BL_Mega_48hr_1 SUBJECT_SAMPLE_FACTORS - BL_Mega_24hr_1 Sample source:Culture | Species:Bifidobacterium longum | Media:Mega | Replicate:R1 | Time:24 RAW_FILE_NAME(C18-NEG)=B0153_XAV_BactReRun_CN-BL_Mega_24hr_1; RAW_FILE_NAME(C8-POS)=B0153_XAV_BactReRun_CP-BL_Mega_24hr_1; RAW_FILE_NAME(HILIC-POS)=B0153_XAV_BactReRun_HP-BL_Mega_24hr_1 SUBJECT_SAMPLE_FACTORS - BL_Mega_48hr_3 Sample source:Culture | Species:Bifidobacterium longum | Media:Mega | Replicate:R3 | Time:48 RAW_FILE_NAME(C18-NEG)=B0154_XAV_BactReRun_CN-BL_Mega_48hr_3; RAW_FILE_NAME(C8-POS)=B0154_XAV_BactReRun_CP-BL_Mega_48hr_3; RAW_FILE_NAME(HILIC-POS)=B0154_XAV_BactReRun_HP-BL_Mega_48hr_3 SUBJECT_SAMPLE_FACTORS - BL_Mega_6hr_2 Sample source:Culture | Species:Bifidobacterium longum | Media:Mega | Replicate:R2 | Time:6 RAW_FILE_NAME(C18-NEG)=B0155_XAV_BactReRun_CN-BL_Mega_6hr_2; RAW_FILE_NAME(C8-POS)=B0155_XAV_BactReRun_CP-BL_Mega_6hr_2; RAW_FILE_NAME(HILIC-POS)=B0155_XAV_BactReRun_HP-BL_Mega_6hr_2 SUBJECT_SAMPLE_FACTORS - BL_Mega_48hr_2 Sample source:Culture | Species:Bifidobacterium longum | Media:Mega | Replicate:R2 | Time:48 RAW_FILE_NAME(C18-NEG)=B0156_XAV_BactReRun_CN-BL_Mega_48hr_2; RAW_FILE_NAME(C8-POS)=B0156_XAV_BactReRun_CP-BL_Mega_48hr_2; RAW_FILE_NAME(HILIC-POS)=B0156_XAV_BactReRun_HP-BL_Mega_48hr_2 SUBJECT_SAMPLE_FACTORS - BL_Mega_0hr_1 Sample source:Culture | Species:Bifidobacterium longum | Media:Mega | Replicate:R1 | Time:0 RAW_FILE_NAME(C18-NEG)=B0157_XAV_BactReRun_CN-BL_Mega_0hr_1; RAW_FILE_NAME(C8-POS)=B0157_XAV_BactReRun_CP-BL_Mega_0hr_1; RAW_FILE_NAME(HILIC-POS)=B0157_XAV_BactReRun_HP-BL_Mega_0hr_1 SUBJECT_SAMPLE_FACTORS - BL_Mega_6hr_3 Sample source:Culture | Species:Bifidobacterium longum | Media:Mega | Replicate:R3 | Time:6 RAW_FILE_NAME(C18-NEG)=B0158_XAV_BactReRun_CN-BL_Mega_6hr_3; RAW_FILE_NAME(C8-POS)=B0158_XAV_BactReRun_CP-BL_Mega_6hr_3; RAW_FILE_NAME(HILIC-POS)=B0158_XAV_BactReRun_HP-BL_Mega_6hr_3 SUBJECT_SAMPLE_FACTORS - BL_Mega_0hr_2 Sample source:Culture | Species:Bifidobacterium longum | Media:Mega | Replicate:R2 | Time:0 RAW_FILE_NAME(C18-NEG)=B0159_XAV_BactReRun_CN-BL_Mega_0hr_2; RAW_FILE_NAME(C8-POS)=B0159_XAV_BactReRun_CP-BL_Mega_0hr_2; RAW_FILE_NAME(HILIC-POS)=B0159_XAV_BactReRun_HP-BL_Mega_0hr_2 SUBJECT_SAMPLE_FACTORS - BL_Mega_24hr_3 Sample source:Culture | Species:Bifidobacterium longum | Media:Mega | Replicate:R3 | Time:24 RAW_FILE_NAME(C18-NEG)=B0160_XAV_BactReRun_CN-BL_Mega_24hr_3; RAW_FILE_NAME(C8-POS)=B0160_XAV_BactReRun_CP-BL_Mega_24hr_3; RAW_FILE_NAME(HILIC-POS)=B0160_XAV_BactReRun_HP-BL_Mega_24hr_3 SUBJECT_SAMPLE_FACTORS - Mega_48hr_3 Sample source:Culture | Species:NA | Media:Mega | Replicate:R3 | Time:48 RAW_FILE_NAME(C18-NEG)=B0161_XAV_BactReRun_CN-Mega_48hr_3; RAW_FILE_NAME(C8-POS)=B0161_XAV_BactReRun_CP-Mega_48hr_3; RAW_FILE_NAME(HILIC-POS)=B0161_XAV_BactReRun_HP-Mega_48hr_3 SUBJECT_SAMPLE_FACTORS - Mega_0hr_1 Sample source:Culture | Species:NA | Media:Mega | Replicate:R1 | Time:0 RAW_FILE_NAME(C18-NEG)=B0162_XAV_BactReRun_CN-Mega_0hr_1; RAW_FILE_NAME(C8-POS)=B0162_XAV_BactReRun_CP-Mega_0hr_1; RAW_FILE_NAME(HILIC-POS)=B0162_XAV_BactReRun_HP-Mega_0hr_1 SUBJECT_SAMPLE_FACTORS - Mega_24hr_3 Sample source:Culture | Species:NA | Media:Mega | Replicate:R3 | Time:24 RAW_FILE_NAME(C18-NEG)=B0163_XAV_BactReRun_CN-Mega_24hr_3; RAW_FILE_NAME(C8-POS)=B0163_XAV_BactReRun_CP-Mega_24hr_3; RAW_FILE_NAME(HILIC-POS)=B0163_XAV_BactReRun_HP-Mega_24hr_3 SUBJECT_SAMPLE_FACTORS - Mega_24hr_1 Sample source:Culture | Species:NA | Media:Mega | Replicate:R1 | Time:24 RAW_FILE_NAME(C18-NEG)=B0164_XAV_BactReRun_CN-Mega_24hr_1; RAW_FILE_NAME(C8-POS)=B0164_XAV_BactReRun_CP-Mega_24hr_1; RAW_FILE_NAME(HILIC-POS)=B0164_XAV_BactReRun_HP-Mega_24hr_1 SUBJECT_SAMPLE_FACTORS - Mega_0hr_2 Sample source:Culture | Species:NA | Media:Mega | Replicate:R2 | Time:0 RAW_FILE_NAME(C18-NEG)=B0165_XAV_BactReRun_CN-Mega_0hr_2; RAW_FILE_NAME(C8-POS)=B0165_XAV_BactReRun_CP-Mega_0hr_2; RAW_FILE_NAME(HILIC-POS)=B0165_XAV_BactReRun_HP-Mega_0hr_2 SUBJECT_SAMPLE_FACTORS - Mega_48hr_1 Sample source:Culture | Species:NA | Media:Mega | Replicate:R1 | Time:48 RAW_FILE_NAME(C18-NEG)=B0166_XAV_BactReRun_CN-Mega_48hr_1; RAW_FILE_NAME(C8-POS)=B0166_XAV_BactReRun_CP-Mega_48hr_1; RAW_FILE_NAME(HILIC-POS)=B0166_XAV_BactReRun_HP-Mega_48hr_1 SUBJECT_SAMPLE_FACTORS - Mega_0hr_3 Sample source:Culture | Species:NA | Media:Mega | Replicate:R3 | Time:0 RAW_FILE_NAME(C18-NEG)=B0167_XAV_BactReRun_CN-Mega_0hr_3; RAW_FILE_NAME(C8-POS)=B0167_XAV_BactReRun_CP-Mega_0hr_3; RAW_FILE_NAME(HILIC-POS)=B0167_XAV_BactReRun_HP-Mega_0hr_3 SUBJECT_SAMPLE_FACTORS - Mega_24hr_2 Sample source:Culture | Species:NA | Media:Mega | Replicate:R2 | Time:24 RAW_FILE_NAME(C18-NEG)=B0168_XAV_BactReRun_CN-Mega_24hr_2; RAW_FILE_NAME(C8-POS)=B0168_XAV_BactReRun_CP-Mega_24hr_2; RAW_FILE_NAME(HILIC-POS)=B0168_XAV_BactReRun_HP-Mega_24hr_2 SUBJECT_SAMPLE_FACTORS - Mega_48hr_2 Sample source:Culture | Species:NA | Media:Mega | Replicate:R2 | Time:48 RAW_FILE_NAME(C18-NEG)=B0169_XAV_BactReRun_CN-Mega_48hr_2; RAW_FILE_NAME(C8-POS)=B0169_XAV_BactReRun_CP-Mega_48hr_2; RAW_FILE_NAME(HILIC-POS)=B0169_XAV_BactReRun_HP-Mega_48hr_2 SUBJECT_SAMPLE_FACTORS - Mega_6hr_2 Sample source:Culture | Species:NA | Media:Mega | Replicate:R2 | Time:6 RAW_FILE_NAME(C18-NEG)=B0170_XAV_BactReRun_CN-Mega_6hr_2; RAW_FILE_NAME(C8-POS)=B0170_XAV_BactReRun_CP-Mega_6hr_2; RAW_FILE_NAME(HILIC-POS)=B0170_XAV_BactReRun_HP-Mega_6hr_2 SUBJECT_SAMPLE_FACTORS - Mega_6hr_1 Sample source:Culture | Species:NA | Media:Mega | Replicate:R1 | Time:6 RAW_FILE_NAME(C18-NEG)=B0171_XAV_BactReRun_CN-Mega_6hr_1; RAW_FILE_NAME(C8-POS)=B0171_XAV_BactReRun_CP-Mega_6hr_1; RAW_FILE_NAME(HILIC-POS)=B0171_XAV_BactReRun_HP-Mega_6hr_1 SUBJECT_SAMPLE_FACTORS - Mega_6hr_3 Sample source:Culture | Species:NA | Media:Mega | Replicate:R3 | Time:6 RAW_FILE_NAME(C18-NEG)=B0172_XAV_BactReRun_CN-Mega_6hr_3; RAW_FILE_NAME(C8-POS)=B0172_XAV_BactReRun_CP-Mega_6hr_3; RAW_FILE_NAME(HILIC-POS)=B0172_XAV_BactReRun_HP-Mega_6hr_3 SUBJECT_SAMPLE_FACTORS - SI_Mega_24hr_2 Sample source:Culture | Species:Streptococcus infantis | Media:Mega | Replicate:R2 | Time:24 RAW_FILE_NAME(C18-NEG)=B0173_XAV_BactReRun_CN-SI_Mega_24hr_2; RAW_FILE_NAME(C8-POS)=B0173_XAV_BactReRun_CP-SI_Mega_24hr_2; RAW_FILE_NAME(HILIC-POS)=B0173_XAV_BactReRun_HP-SI_Mega_24hr_2 SUBJECT_SAMPLE_FACTORS - SI_Mega_24hr_1 Sample source:Culture | Species:Streptococcus infantis | Media:Mega | Replicate:R1 | Time:24 RAW_FILE_NAME(C18-NEG)=B0174_XAV_BactReRun_CN-SI_Mega_24hr_1; RAW_FILE_NAME(C8-POS)=B0174_XAV_BactReRun_CP-SI_Mega_24hr_1; RAW_FILE_NAME(HILIC-POS)=B0174_XAV_BactReRun_HP-SI_Mega_24hr_1 SUBJECT_SAMPLE_FACTORS - SI_Mega_48hr_1 Sample source:Culture | Species:Streptococcus infantis | Media:Mega | Replicate:R1 | Time:48 RAW_FILE_NAME(C18-NEG)=B0175_XAV_BactReRun_CN-SI_Mega_48hr_1; RAW_FILE_NAME(C8-POS)=B0175_XAV_BactReRun_CP-SI_Mega_48hr_1; RAW_FILE_NAME(HILIC-POS)=B0175_XAV_BactReRun_HP-SI_Mega_48hr_1 SUBJECT_SAMPLE_FACTORS - SI_Mega_6hr_1 Sample source:Culture | Species:Streptococcus infantis | Media:Mega | Replicate:R1 | Time:6 RAW_FILE_NAME(C18-NEG)=B0176_XAV_BactReRun_CN-SI_Mega_6hr_1; RAW_FILE_NAME(C8-POS)=B0176_XAV_BactReRun_CP-SI_Mega_6hr_1; RAW_FILE_NAME(HILIC-POS)=B0176_XAV_BactReRun_HP-SI_Mega_6hr_1 SUBJECT_SAMPLE_FACTORS - SI_Mega_6hr_3 Sample source:Culture | Species:Streptococcus infantis | Media:Mega | Replicate:R3 | Time:6 RAW_FILE_NAME(C18-NEG)=B0177_XAV_BactReRun_CN-SI_Mega_6hr_3; RAW_FILE_NAME(C8-POS)=B0177_XAV_BactReRun_CP-SI_Mega_6hr_3; RAW_FILE_NAME(HILIC-POS)=B0177_XAV_BactReRun_HP-SI_Mega_6hr_3 SUBJECT_SAMPLE_FACTORS - SI_Mega_48hr_3 Sample source:Culture | Species:Streptococcus infantis | Media:Mega | Replicate:R3 | Time:48 RAW_FILE_NAME(C18-NEG)=B0178_XAV_BactReRun_CN-SI_Mega_48hr_3; RAW_FILE_NAME(C8-POS)=B0178_XAV_BactReRun_CP-SI_Mega_48hr_3; RAW_FILE_NAME(HILIC-POS)=B0178_XAV_BactReRun_HP-SI_Mega_48hr_3 SUBJECT_SAMPLE_FACTORS - SI_Mega_0hr_2 Sample source:Culture | Species:Streptococcus infantis | Media:Mega | Replicate:R2 | Time:0 RAW_FILE_NAME(C18-NEG)=B0179_XAV_BactReRun_CN-SI_Mega_0hr_2; RAW_FILE_NAME(C8-POS)=B0179_XAV_BactReRun_CP-SI_Mega_0hr_2; RAW_FILE_NAME(HILIC-POS)=B0179_XAV_BactReRun_HP-SI_Mega_0hr_2 SUBJECT_SAMPLE_FACTORS - SI_Mega_48hr_2 Sample source:Culture | Species:Streptococcus infantis | Media:Mega | Replicate:R2 | Time:48 RAW_FILE_NAME(C18-NEG)=B0180_XAV_BactReRun_CN-SI_Mega_48hr_2; RAW_FILE_NAME(C8-POS)=B0180_XAV_BactReRun_CP-SI_Mega_48hr_2; RAW_FILE_NAME(HILIC-POS)=B0180_XAV_BactReRun_HP-SI_Mega_48hr_2 SUBJECT_SAMPLE_FACTORS - SI_Mega_24hr_3 Sample source:Culture | Species:Streptococcus infantis | Media:Mega | Replicate:R3 | Time:24 RAW_FILE_NAME(C18-NEG)=B0181_XAV_BactReRun_CN-SI_Mega_24hr_3; RAW_FILE_NAME(C8-POS)=B0181_XAV_BactReRun_CP-SI_Mega_24hr_3; RAW_FILE_NAME(HILIC-POS)=B0181_XAV_BactReRun_HP-SI_Mega_24hr_3 SUBJECT_SAMPLE_FACTORS - SI_Mega_6hr_2 Sample source:Culture | Species:Streptococcus infantis | Media:Mega | Replicate:R2 | Time:6 RAW_FILE_NAME(C18-NEG)=B0182_XAV_BactReRun_CN-SI_Mega_6hr_2; RAW_FILE_NAME(C8-POS)=B0182_XAV_BactReRun_CP-SI_Mega_6hr_2; RAW_FILE_NAME(HILIC-POS)=B0182_XAV_BactReRun_HP-SI_Mega_6hr_2 SUBJECT_SAMPLE_FACTORS - SI_Mega_0hr_3 Sample source:Culture | Species:Streptococcus infantis | Media:Mega | Replicate:R3 | Time:0 RAW_FILE_NAME(C18-NEG)=B0183_XAV_BactReRun_CN-SI_Mega_0hr_3; RAW_FILE_NAME(C8-POS)=B0183_XAV_BactReRun_CP-SI_Mega_0hr_3; RAW_FILE_NAME(HILIC-POS)=B0183_XAV_BactReRun_HP-SI_Mega_0hr_3 SUBJECT_SAMPLE_FACTORS - SI_Mega_0hr_1 Sample source:Culture | Species:Streptococcus infantis | Media:Mega | Replicate:R1 | Time:0 RAW_FILE_NAME(C18-NEG)=B0184_XAV_BactReRun_CN-SI_Mega_0hr_1; RAW_FILE_NAME(C8-POS)=B0184_XAV_BactReRun_CP-SI_Mega_0hr_1; RAW_FILE_NAME(HILIC-POS)=B0184_XAV_BactReRun_HP-SI_Mega_0hr_1 SUBJECT_SAMPLE_FACTORS - CI_Mega_6hr_3 Sample source:Culture | Species:Clostridium innocuum | Media:Mega | Replicate:R3 | Time:6 RAW_FILE_NAME(C18-NEG)=B0185_XAV_BactReRun_CN-CI_Mega_6hr_3; RAW_FILE_NAME(C8-POS)=B0185_XAV_BactReRun_CP-CI_Mega_6hr_3; RAW_FILE_NAME(HILIC-POS)=B0185_XAV_BactReRun_HP-CI_Mega_6hr_3 SUBJECT_SAMPLE_FACTORS - CI_Mega_24hr_1 Sample source:Culture | Species:Clostridium innocuum | Media:Mega | Replicate:R1 | Time:24 RAW_FILE_NAME(C18-NEG)=B0186_XAV_BactReRun_CN-CI_Mega_24hr_1; RAW_FILE_NAME(C8-POS)=B0186_XAV_BactReRun_CP-CI_Mega_24hr_1; RAW_FILE_NAME(HILIC-POS)=B0186_XAV_BactReRun_HP-CI_Mega_24hr_1 SUBJECT_SAMPLE_FACTORS - CI_Mega_24hr_2 Sample source:Culture | Species:Clostridium innocuum | Media:Mega | Replicate:R2 | Time:24 RAW_FILE_NAME(C18-NEG)=B0187_XAV_BactReRun_CN-CI_Mega_24hr_2; RAW_FILE_NAME(C8-POS)=B0187_XAV_BactReRun_CP-CI_Mega_24hr_2; RAW_FILE_NAME(HILIC-POS)=B0187_XAV_BactReRun_HP-CI_Mega_24hr_2 SUBJECT_SAMPLE_FACTORS - CI_Mega_48hr_3 Sample source:Culture | Species:Clostridium innocuum | Media:Mega | Replicate:R3 | Time:48 RAW_FILE_NAME(C18-NEG)=B0188_XAV_BactReRun_CN-CI_Mega_48hr_3; RAW_FILE_NAME(C8-POS)=B0188_XAV_BactReRun_CP-CI_Mega_48hr_3; RAW_FILE_NAME(HILIC-POS)=B0188_XAV_BactReRun_HP-CI_Mega_48hr_3 SUBJECT_SAMPLE_FACTORS - CI_Mega_0hr_3 Sample source:Culture | Species:Clostridium innocuum | Media:Mega | Replicate:R3 | Time:0 RAW_FILE_NAME(C18-NEG)=B0189_XAV_BactReRun_CN-CI_Mega_0hr_3; RAW_FILE_NAME(C8-POS)=B0189_XAV_BactReRun_CP-CI_Mega_0hr_3; RAW_FILE_NAME(HILIC-POS)=B0189_XAV_BactReRun_HP-CI_Mega_0hr_3 SUBJECT_SAMPLE_FACTORS - CI_Mega_48hr_1 Sample source:Culture | Species:Clostridium innocuum | Media:Mega | Replicate:R1 | Time:48 RAW_FILE_NAME(C18-NEG)=B0190_XAV_BactReRun_CN-CI_Mega_48hr_1; RAW_FILE_NAME(C8-POS)=B0190_XAV_BactReRun_CP-CI_Mega_48hr_1; RAW_FILE_NAME(HILIC-POS)=B0190_XAV_BactReRun_HP-CI_Mega_48hr_1 SUBJECT_SAMPLE_FACTORS - CI_Mega_48hr_2 Sample source:Culture | Species:Clostridium innocuum | Media:Mega | Replicate:R2 | Time:48 RAW_FILE_NAME(C18-NEG)=B0191_XAV_BactReRun_CN-CI_Mega_48hr_2; RAW_FILE_NAME(C8-POS)=B0191_XAV_BactReRun_CP-CI_Mega_48hr_2; RAW_FILE_NAME(HILIC-POS)=B0191_XAV_BactReRun_HP-CI_Mega_48hr_2 SUBJECT_SAMPLE_FACTORS - CI_Mega_0hr_2 Sample source:Culture | Species:Clostridium innocuum | Media:Mega | Replicate:R2 | Time:0 RAW_FILE_NAME(C18-NEG)=B0192_XAV_BactReRun_CN-CI_Mega_0hr_2; RAW_FILE_NAME(C8-POS)=B0192_XAV_BactReRun_CP-CI_Mega_0hr_2; RAW_FILE_NAME(HILIC-POS)=B0192_XAV_BactReRun_HP-CI_Mega_0hr_2 SUBJECT_SAMPLE_FACTORS - CI_Mega_24hr_3 Sample source:Culture | Species:Clostridium innocuum | Media:Mega | Replicate:R3 | Time:24 RAW_FILE_NAME(C18-NEG)=B0193_XAV_BactReRun_CN-CI_Mega_24hr_3; RAW_FILE_NAME(C8-POS)=B0193_XAV_BactReRun_CP-CI_Mega_24hr_3; RAW_FILE_NAME(HILIC-POS)=B0193_XAV_BactReRun_HP-CI_Mega_24hr_3 SUBJECT_SAMPLE_FACTORS - CI_Mega_6hr_1 Sample source:Culture | Species:Clostridium innocuum | Media:Mega | Replicate:R1 | Time:6 RAW_FILE_NAME(C18-NEG)=B0194_XAV_BactReRun_CN-CI_Mega_6hr_1; RAW_FILE_NAME(C8-POS)=B0194_XAV_BactReRun_CP-CI_Mega_6hr_1; RAW_FILE_NAME(HILIC-POS)=B0194_XAV_BactReRun_HP-CI_Mega_6hr_1 SUBJECT_SAMPLE_FACTORS - CI_Mega_0hr_1 Sample source:Culture | Species:Clostridium innocuum | Media:Mega | Replicate:R1 | Time:0 RAW_FILE_NAME(C18-NEG)=B0195_XAV_BactReRun_CN-CI_Mega_0hr_1; RAW_FILE_NAME(C8-POS)=B0195_XAV_BactReRun_CP-CI_Mega_0hr_1; RAW_FILE_NAME(HILIC-POS)=B0195_XAV_BactReRun_HP-CI_Mega_0hr_1 SUBJECT_SAMPLE_FACTORS - CI_Mega_6hr_2 Sample source:Culture | Species:Clostridium innocuum | Media:Mega | Replicate:R2 | Time:6 RAW_FILE_NAME(C18-NEG)=B0196_XAV_BactReRun_CN-CI_Mega_6hr_2; RAW_FILE_NAME(C8-POS)=B0196_XAV_BactReRun_CP-CI_Mega_6hr_2; RAW_FILE_NAME(HILIC-POS)=B0196_XAV_BactReRun_HP-CI_Mega_6hr_2 #COLLECTION CO:COLLECTION_SUMMARY All strains were cultured anaerobically at 37°C in different media types CO:COLLECTION_SUMMARY according to the experiment being performed. The media compositions used in this CO:COLLECTION_SUMMARY study include BHI-R, CHG-R, Gifu-R, and Mega-R, each formulated with specific CO:COLLECTION_SUMMARY components to support microbial growth. BHI-R was prepared by dissolving 18.5 g CO:COLLECTION_SUMMARY of Brain Heart Infusion (BHI) and 5 g of L-arginine in 500 mL of Milli-Q water, CO:COLLECTION_SUMMARY followed by sterilization via autoclaving (10 lbs, 115°C, 15 minutes). CHG-R CO:COLLECTION_SUMMARY was based on CHG media, which contained 18.5 g of BHI, 0.5 g each of CO:COLLECTION_SUMMARY D-(+)-cellobiose, D-(+)-maltose monohydrate, and D-(-)-fructose, and 0.25 g of CO:COLLECTION_SUMMARY cysteine in 500 mL of Milli-Q water. After filter sterilization, additional CO:COLLECTION_SUMMARY supplements, including 5 mL each of Vitamin K + Hematin (1%), trace mineral CO:COLLECTION_SUMMARY supplement, and vitamin supplement, were added in an anaerobic chamber. Gifu-R CO:COLLECTION_SUMMARY was derived from commercially available Gifu Anaerobic Media (GAM) (Himedia, Cat CO:COLLECTION_SUMMARY # M1801), prepared by suspending 59 g of GAM in 1000 mL of purified/distilled CO:COLLECTION_SUMMARY water and autoclaving under the same conditions as BHI-R. Mega-R was formulated CO:COLLECTION_SUMMARY with a complex mixture of components, including 5 g of Trypticase Peptone (BBL), CO:COLLECTION_SUMMARY 2.5 g each of Yeast Extract (Bacto) and Meat Extract, and multiple carbohydrate CO:COLLECTION_SUMMARY sources such as 1 g of D-(+)-glucose and 0.5 g each of D-(+)-cellobiose, CO:COLLECTION_SUMMARY D-(+)-maltose monohydrate, and D-(-)-fructose, all dissolved in 500 mL of CO:COLLECTION_SUMMARY Milli-Q water. Additional components included 50 mL of 1 M potassium phosphate CO:COLLECTION_SUMMARY buffer (pH 7.2), 20 mL of TYG salts solution, 1 mL of 25% Tween 80, and various CO:COLLECTION_SUMMARY supplements such as SCFA, CaCl₂, FeSO₄, and resazurin. Like CHG-R, Mega-R CO:COLLECTION_SUMMARY was supplemented with 5 mL each of Vitamin K + Hematin (1%), trace mineral CO:COLLECTION_SUMMARY supplement, and vitamin supplement. For CHG-R, Gifu-R, and Mega-R, an additional CO:COLLECTION_SUMMARY 5 g of L-arginine was incorporated into 500 mL of each respective medium to CO:COLLECTION_SUMMARY create their corresponding arginine-enriched formulations. All cultures were CO:COLLECTION_SUMMARY grown in an anaerobic chamber (Coy Laboratory Products) with an atmosphere of 5% CO:COLLECTION_SUMMARY CO2, 5% H2, and 90% N2 at 37°C. The isolates were streaked onto CHG plates and CO:COLLECTION_SUMMARY incubated for 48 hours. Once colonies were visible, a single colony from each CO:COLLECTION_SUMMARY plate was picked and processed for 16S rRNA Sanger sequencing using primer CO:COLLECTION_SUMMARY sequences 27F: AGAGTTTGATCMTGGCTCAG and 1492R: GGTTACCTTGTTACGACTT. Once the CO:COLLECTION_SUMMARY identity of the bacterial strains was confirmed, a single colony from each CO:COLLECTION_SUMMARY strain was inoculated in triplicates in 6 mL of the respective media types (CHG, CO:COLLECTION_SUMMARY Gifu, Mega) and incubated overnight. The overnight cultures were inoculated into CO:COLLECTION_SUMMARY fresh media and normalized to the OD600 of 0.05. At each time point after CO:COLLECTION_SUMMARY inoculation (6h, 24h, 48 h), 200 μL of the bacterial culture were collected. CO:SAMPLE_TYPE Bacterial cells #TREATMENT TR:TREATMENT_SUMMARY NA #SAMPLEPREP SP:SAMPLEPREP_SUMMARY LC–MS samples were prepared from bacterial cultures for each profiling method SP:SAMPLEPREP_SUMMARY as follows: - HILIC-pos: Bacterial cultures (10 μL) were extracted with the SP:SAMPLEPREP_SUMMARY addition of nine volumes of 74.9:24.9:0.2 v/v/v acetonitrile/methanol/formic SP:SAMPLEPREP_SUMMARY acid containing stable isotope-labeled internal standards (valine-d8, Isotec; SP:SAMPLEPREP_SUMMARY and phenylalanine-d8, Cambridge Isotope Laboratories). The samples were SP:SAMPLEPREP_SUMMARY centrifuged (10 min, 9,000g, 4°C), and the supernatants (10 μL) injected SP:SAMPLEPREP_SUMMARY directly onto column. - C8-pos: Bacterial cultures (10 μL) using 190 μL SP:SAMPLEPREP_SUMMARY isopropanol containing 1-dodecanoyl-2-tridecanoyl-sn-glycero-3-phosphocholine as SP:SAMPLEPREP_SUMMARY an internal standard (Avanti Polar Lipids; Alabaster, AL). After centrifugation SP:SAMPLEPREP_SUMMARY (10 min, 9,000g, ambient temperature), supernatants (2 μL) were injected SP:SAMPLEPREP_SUMMARY directly onto column. - C18-neg: Bacterial cultures (30 μL) were extracted SP:SAMPLEPREP_SUMMARY using 90 μl methanol containing 15R-15-methyl Prostaglandin A2,15R-15-methyl SP:SAMPLEPREP_SUMMARY Prostaglandin F2α, 15S-15-methyl Prostaglandin D2, 15S-15-methyl Prostaglandin SP:SAMPLEPREP_SUMMARY E1, and 15S-15-methyl Prostaglandin E2 as internal standards (Cayman Chemical SP:SAMPLEPREP_SUMMARY Co.) and centrifuged (10 min, 9,000g, 4°C). The supernatants (10 μL) were SP:SAMPLEPREP_SUMMARY injected onto column. - HILIC-neg: Bacterial cultures (30 μL) were extracted SP:SAMPLEPREP_SUMMARY with the addition of four volumes of 80% methanol containing inosine-15N4, SP:SAMPLEPREP_SUMMARY thymine-d4 and glycocholate-d4 internal standards (Cambridge Isotope SP:SAMPLEPREP_SUMMARY Laboratories). The samples were centrifuged (10 min, 9,000g, 4°C) and the SP:SAMPLEPREP_SUMMARY supernatants 10 μL) were injected directly onto column. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Agilent 1290 Infinity II CH:COLUMN_NAME Waters Atlantis HILIC (150 x 2 mm, 3 µm) CH:SOLVENT_A 100% Water; 10 mM Ammonium formate; 0.1% Formic acid CH:SOLVENT_B 100% Acetonitrile; 0.1% Formic acid CH:FLOW_GRADIENT Isocratically with 5% mobile phase A for 1 minute followed by a linear gradient CH:FLOW_GRADIENT to 40% mobile phase B over 10 minutes CH:FLOW_RATE 250 µL/min CH:COLUMN_TEMPERATURE 30°C #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Orbitrap Exploris 240 MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Raw data were processed using TraceFinder 3.3 software (Thermo Fisher MS:MS_COMMENTS Scientific; Waltham, MA) and Progenesis QI (Nonlinear Dynamics; Newcastle upon MS:MS_COMMENTS Tyne, UK). Metabolite identities were confirmed using authentic reference MS:MS_COMMENTS standards or reference samples. MS:MS_RESULTS_FILE ST003910_AN006418_Results.txt UNITS:Abudances Has m/z:Yes Has RT:Yes RT units:Minutes #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Abudances MS_METABOLITE_DATA_START Samples CS_CHG_24_1 CS_CHG_24_2 CS_CHG_24_3 SI_CHG_6hr_1 SI_CHG_48hr_2 SI_CHG_0hr_2 SI_CHG_48hr_3 SI_CHG_48hr_1 SI_CHG_0hr_3 SI_CHG_6hr_3 SI_CHG_24hr_2 SI_CHG_6hr_2 SI_CHG_0hr_1 SI_CHG_24hr_1 SI_CHG_24hr_3 CHG_48hr_1 CHG_48hr_2 CHG_6hr_3 CHG_24hr_1 CHG_24hr_2 CHG_0hr_3 CHG_24hr_3 CHG_48hr_3 CHG_6hr_1 CHG_0hr_2 CHG_0hr_1 CHG_6hr_2 SP_CHG_24hr_2 SP_CHG_0hr_2 SP_CHG_0hr_1 SP_CHG_24hr_1 SP_CHG_6hr_3 SP_CHG_6hr_1 SP_CHG_6hr_2 SP_CHG_48hr_3 SP_CHG_48hr_2 SP_CHG_48hr_1 SP_CHG_0hr_3 SP_CHG_24hr_3 BL_CHG_0hr_1 BL_CHG_6hr_2-A BL_CHG_48hr_3 BL_CHG_24hr_2 BL_CHG_6hr_1 BL_CHG_24hr_3 BL_CHG_6hr_3 BL_CHG_48hr_2 BL_CHG_0hr_2 BL_CHG_24hr_1 BL_CHG_48hr_1 BL_CHG_0hr_3 CI_CHG_24hr_1 CI_CHG_48hr_2 CI_CHG_48hr_1 CI_CHG_6hr_3 CI_CHG_48hr_3 CI_CHG_24hr_2 CI_CHG_6hr_1 CI_CHG_24hr_3 CI_CHG_0hr_2 CI_CHG_0hr_3 CI_CHG_6hr_2 CI_CHG_0hr_1 EC_CHG_24_2 EC_CHG_24_1 EC_CHG_24_3 CI_Gifu_48hr_3 CI_Gifu_24hr_2 CI_Gifu_0hr_2 CI_Gifu_0hr_3 CI_Gifu_0hr_1 CI_Gifu_24hr_3 CI_Gifu_48hr_2 CI_Gifu_6hr_1 CI_Gifu_48hr_1 CI_Gifu_6hr_3 CI_Gifu_6hr_2 CI_Gifu_24hr_1 SI_Gifu_6hr_3 SI_Gifu_48hr_1 SI_Gifu_0hr_1 SI_Gifu_0hr_3 SI_Gifu_48hr_3 SI_Gifu_0hr_2 SI_Gifu_24hr_3 SI_Gifu_6hr_1 SI_Gifu_48hr_2 SI_Gifu_24hr_1 SI_Gifu_24hr_2 Gifu_0hr_3 Gifu_6hr_1 Gifu_0hr_1 Gifu_6hr_3 Gifu_24hr_2 Gifu_48hr_2 Gifu_48hr_3 Gifu_24hr_3 Gifu_48hr_1 Gifu_24hr_1 Gifu_0hr_2 Gifu_6hr_2 SP_Gifu_48hr_2 SP_Gifu_48hr_3 SP_Gifu_24hr_3 SP_Gifu_0hr_1 SP_Gifu_6hr_1 SP_Gifu_6hr_3 SP_Gifu_24hr_2 SP_Gifu_24hr_1 SP_Gifu_6hr_2 SP_Gifu_0hr_3 SP_Gifu_0hr_2 SP_Gifu_48hr_1 BL_Gifu_6hr_1 BL_Gifu_24hr_3 BL_Gifu_0hr_3 BL_Gifu_0hr_1 BL_Gifu_48hr_3 BL_Gifu_24hr_1 BL_Gifu_0hr_2 BL_Gifu_24hr_2 BL_Gifu_6hr_2 BL_Gifu_6hr_3 BL_Gifu_48hr_2 BL_Gifu_48hr_1 SP_Mega_24hr_2 SP_Mega_24hr_1 SP_Mega_48hr_2 SP_Mega_6hr_1 SP_Mega_6hr_3 SP_Mega_48hr_3 SP_Mega_24hr_3 SP_Mega_0hr_2 SP_Mega_0hr_3 SP_Mega_48hr_1 SP_Mega_0hr_1 SP_Mega_6hr_2 BL_Mega_6hr_1 BL_Mega_24hr_2 BL_Mega_0hr_3 BL_Mega_48hr_1 BL_Mega_24hr_1 BL_Mega_48hr_3 BL_Mega_6hr_2 BL_Mega_48hr_2 BL_Mega_0hr_1 BL_Mega_6hr_3 BL_Mega_0hr_2 BL_Mega_24hr_3 Mega_48hr_3 Mega_0hr_1 Mega_24hr_3 Mega_24hr_1 Mega_0hr_2 Mega_48hr_1 Mega_0hr_3 Mega_24hr_2 Mega_48hr_2 Mega_6hr_2 Mega_6hr_1 Mega_6hr_3 SI_Mega_24hr_2 SI_Mega_24hr_1 SI_Mega_48hr_1 SI_Mega_6hr_1 SI_Mega_6hr_3 SI_Mega_48hr_3 SI_Mega_0hr_2 SI_Mega_48hr_2 SI_Mega_24hr_3 SI_Mega_6hr_2 SI_Mega_0hr_3 SI_Mega_0hr_1 CI_Mega_6hr_3 CI_Mega_24hr_1 CI_Mega_24hr_2 CI_Mega_48hr_3 CI_Mega_0hr_3 CI_Mega_48hr_1 CI_Mega_48hr_2 CI_Mega_0hr_2 CI_Mega_24hr_3 CI_Mega_6hr_1 CI_Mega_0hr_1 CI_Mega_6hr_2 Factors Sample source:Culture | Species:Clostridium sporogenes | Media:CHG | Replicate:R1 | Time:24 Sample source:Culture | Species:Clostridium sporogenes | Media:CHG | Replicate:R2 | Time:24 Sample source:Culture | Species:Clostridium sporogenes | Media:CHG | Replicate:R3 | Time:24 Sample source:Culture | Species:Streptococcus infantis | Media:CHG | Replicate:R1 | Time:6 Sample source:Culture | Species:Streptococcus infantis | Media:CHG | Replicate:R2 | Time:48 Sample source:Culture | Species:Streptococcus infantis | Media:CHG | Replicate:R2 | Time:0 Sample source:Culture | Species:Streptococcus infantis | Media:CHG | Replicate:R3 | Time:48 Sample source:Culture | Species:Streptococcus infantis | Media:CHG | Replicate:R1 | Time:48 Sample source:Culture | Species:Streptococcus infantis | Media:CHG | Replicate:R3 | Time:0 Sample source:Culture | Species:Streptococcus infantis | Media:CHG | Replicate:R3 | Time:6 Sample source:Culture | Species:Streptococcus infantis | Media:CHG | Replicate:R2 | Time:24 Sample source:Culture | Species:Streptococcus infantis | Media:CHG | Replicate:R2 | Time:6 Sample source:Culture | Species:Streptococcus infantis | Media:CHG | Replicate:R1 | Time:0 Sample source:Culture | Species:Streptococcus infantis | Media:CHG | Replicate:R1 | Time:24 Sample source:Culture | Species:Streptococcus infantis | Media:CHG | Replicate:R3 | Time:24 Sample source:Culture | Species:Unspent media | Media:CHG | Replicate:R1 | Time:48 Sample source:Culture | Species:Unspent media | Media:CHG | Replicate:R2 | Time:48 Sample source:Culture | Species:Unspent media | Media:CHG | Replicate:R3 | Time:6 Sample source:Culture | Species:Unspent media | Media:CHG | Replicate:R1 | Time:24 Sample source:Culture | Species:Unspent media | Media:CHG | Replicate:R2 | Time:24 Sample source:Culture | Species:Unspent media | Media:CHG | Replicate:R3 | Time:0 Sample source:Culture | Species:Unspent media | Media:CHG | Replicate:R3 | Time:24 Sample source:Culture | Species:Unspent media | Media:CHG | Replicate:R3 | Time:48 Sample source:Culture | Species:Unspent media | Media:CHG | Replicate:R1 | Time:6 Sample source:Culture | Species:Unspent media | Media:CHG | Replicate:R2 | Time:0 Sample source:Culture | Species:Unspent media | Media:CHG | Replicate:R1 | Time:0 Sample source:Culture | Species:Unspent media | Media:CHG | Replicate:R2 | Time:6 Sample source:Culture | Species:Streptococcus parasanguinis | Media:CHG | Replicate:R2 | Time:24 Sample source:Culture | Species:Streptococcus parasanguinis | Media:CHG | Replicate:R2 | Time:0 Sample source:Culture | Species:Streptococcus parasanguinis | Media:CHG | Replicate:R1 | Time:0 Sample source:Culture | Species:Streptococcus parasanguinis | Media:CHG | Replicate:R1 | Time:24 Sample source:Culture | Species:Streptococcus parasanguinis | Media:CHG | Replicate:R3 | Time:6 Sample source:Culture | Species:Streptococcus parasanguinis | Media:CHG | Replicate:R1 | Time:6 Sample source:Culture | Species:Streptococcus parasanguinis | Media:CHG | Replicate:R2 | Time:6 Sample source:Culture | Species:Streptococcus parasanguinis | Media:CHG | Replicate:R3 | Time:48 Sample source:Culture | Species:Streptococcus parasanguinis | Media:CHG | Replicate:R2 | Time:48 Sample source:Culture | Species:Streptococcus parasanguinis | Media:CHG | Replicate:R1 | Time:48 Sample source:Culture | Species:Streptococcus parasanguinis | Media:CHG | Replicate:R3 | Time:0 Sample source:Culture | Species:Streptococcus parasanguinis | Media:CHG | Replicate:R3 | Time:24 Sample source:Culture | Species:Bifidobacterium longum | Media:CHG | Replicate:R1 | Time:0 Sample source:Culture | Species:Bifidobacterium longum | Media:CHG | Replicate:R2 | Time:6 Sample source:Culture | Species:Bifidobacterium longum | Media:CHG | Replicate:R3 | Time:48 Sample source:Culture | Species:Bifidobacterium longum | Media:CHG | Replicate:R2 | Time:24 Sample source:Culture | Species:Bifidobacterium longum | Media:CHG | Replicate:R1 | Time:6 Sample source:Culture | Species:Bifidobacterium longum | Media:CHG | Replicate:R3 | Time:24 Sample source:Culture | Species:Bifidobacterium longum | Media:CHG | Replicate:R3 | Time:6 Sample source:Culture | Species:Bifidobacterium longum | Media:CHG | Replicate:R2 | Time:48 Sample source:Culture | Species:Bifidobacterium longum | Media:CHG | Replicate:R2 | Time:0 Sample source:Culture | Species:Bifidobacterium longum | Media:CHG | Replicate:R1 | Time:24 Sample source:Culture | Species:Bifidobacterium longum | Media:CHG | Replicate:R1 | Time:48 Sample source:Culture | Species:Bifidobacterium longum | Media:CHG | Replicate:R3 | Time:0 Sample source:Culture | Species:Clostridium innocuum | Media:CHG | Replicate:R1 | Time:24 Sample source:Culture | Species:Clostridium innocuum | Media:CHG | Replicate:R2 | Time:48 Sample source:Culture | Species:Clostridium innocuum | Media:CHG | Replicate:R1 | Time:48 Sample source:Culture | Species:Clostridium innocuum | Media:CHG | Replicate:R3 | Time:6 Sample source:Culture | Species:Clostridium innocuum | Media:CHG | Replicate:R3 | Time:48 Sample source:Culture | Species:Clostridium innocuum | Media:CHG | Replicate:R2 | Time:24 Sample source:Culture | Species:Clostridium innocuum | Media:CHG | Replicate:R1 | Time:6 Sample source:Culture | Species:Clostridium innocuum | Media:CHG | Replicate:R3 | Time:24 Sample source:Culture | Species:Clostridium innocuum | Media:CHG | Replicate:R2 | Time:0 Sample source:Culture | Species:Clostridium innocuum | Media:CHG | Replicate:R3 | Time:0 Sample source:Culture | Species:Clostridium innocuum | Media:CHG | Replicate:R2 | Time:6 Sample source:Culture | Species:Clostridium innocuum | Media:CHG | Replicate:R1 | Time:0 Sample source:Culture | Species:Escherichia coli BL21(DE3) | Media:CHG | Replicate:R2 | Time:24 Sample source:Culture | Species:Escherichia coli BL21(DE3) | Media:CHG | Replicate:R1 | Time:24 Sample source:Culture | Species:Escherichia coli BL21(DE3) | Media:CHG | Replicate:R3 | Time:24 Sample source:Culture | Species:Clostridium innocuum | Media:Gifu | Replicate:R3 | Time:48 Sample source:Culture | Species:Clostridium innocuum | Media:Gifu | Replicate:R2 | Time:24 Sample source:Culture | Species:Clostridium innocuum | Media:Gifu | Replicate:R2 | Time:0 Sample source:Culture | Species:Clostridium innocuum | Media:Gifu | Replicate:R3 | Time:0 Sample source:Culture | Species:Clostridium innocuum | Media:Gifu | Replicate:R1 | Time:0 Sample source:Culture | Species:Clostridium innocuum | Media:Gifu | Replicate:R3 | Time:24 Sample source:Culture | Species:Clostridium innocuum | Media:Gifu | Replicate:R2 | Time:48 Sample source:Culture | Species:Clostridium innocuum | Media:Gifu | Replicate:R1 | Time:6 Sample source:Culture | Species:Clostridium innocuum | Media:Gifu | Replicate:R1 | Time:48 Sample source:Culture | Species:Clostridium innocuum | Media:Gifu | Replicate:R3 | Time:6 Sample source:Culture | Species:Clostridium innocuum | Media:Gifu | Replicate:R2 | Time:6 Sample source:Culture | Species:Clostridium innocuum | Media:Gifu | Replicate:R1 | Time:24 Sample source:Culture | Species:Streptococcus infantis | Media:Gifu | Replicate:R3 | Time:6 Sample source:Culture | Species:Streptococcus infantis | Media:Gifu | Replicate:R1 | Time:48 Sample source:Culture | Species:Streptococcus infantis | Media:Gifu | Replicate:R1 | Time:0 Sample source:Culture | Species:Streptococcus infantis | Media:Gifu | Replicate:R3 | Time:0 Sample source:Culture | Species:Streptococcus infantis | Media:Gifu | Replicate:R3 | Time:48 Sample source:Culture | Species:Streptococcus infantis | Media:Gifu | Replicate:R2 | Time:0 Sample source:Culture | Species:Streptococcus infantis | Media:Gifu | Replicate:R3 | Time:24 Sample source:Culture | Species:Streptococcus infantis | Media:Gifu | Replicate:R1 | Time:6 Sample source:Culture | Species:Streptococcus infantis | Media:Gifu | Replicate:R2 | Time:48 Sample source:Culture | Species:Streptococcus infantis | Media:Gifu | Replicate:R1 | Time:24 Sample source:Culture | Species:Streptococcus infantis | Media:Gifu | Replicate:R2 | Time:24 Sample source:Culture | Species:NA | Media:Gifu | Replicate:R3 | Time:0 Sample source:Culture | Species:NA | Media:Gifu | Replicate:R1 | Time:6 Sample source:Culture | Species:NA | Media:Gifu | Replicate:R1 | Time:0 Sample source:Culture | Species:NA | Media:Gifu | Replicate:R3 | Time:6 Sample source:Culture | Species:NA | Media:Gifu | Replicate:R2 | Time:24 Sample source:Culture | Species:NA | Media:Gifu | Replicate:R2 | Time:48 Sample source:Culture | Species:NA | Media:Gifu | Replicate:R3 | Time:48 Sample source:Culture | Species:NA | Media:Gifu | Replicate:R3 | Time:24 Sample source:Culture | Species:NA | Media:Gifu | Replicate:R1 | Time:48 Sample source:Culture | Species:NA | Media:Gifu | Replicate:R1 | Time:24 Sample source:Culture | Species:NA | Media:Gifu | Replicate:R2 | Time:0 Sample source:Culture | Species:NA | Media:Gifu | Replicate:R2 | Time:6 Sample source:Culture | Species:Streptococcus parasanguinis | Media:Gifu | Replicate:R2 | Time:48 Sample source:Culture | Species:Streptococcus parasanguinis | Media:Gifu | Replicate:R3 | Time:48 Sample source:Culture | Species:Streptococcus parasanguinis | Media:Gifu | Replicate:R3 | Time:24 Sample source:Culture | Species:Streptococcus parasanguinis | Media:Gifu | Replicate:R1 | Time:0 Sample source:Culture | Species:Streptococcus parasanguinis | Media:Gifu | Replicate:R1 | Time:6 Sample source:Culture | Species:Streptococcus parasanguinis | Media:Gifu | Replicate:R3 | Time:6 Sample source:Culture | Species:Streptococcus parasanguinis | Media:Gifu | Replicate:R2 | Time:24 Sample source:Culture | Species:Streptococcus parasanguinis | Media:Gifu | Replicate:R1 | Time:24 Sample source:Culture | Species:Streptococcus parasanguinis | Media:Gifu | Replicate:R2 | Time:6 Sample source:Culture | Species:Streptococcus parasanguinis | Media:Gifu | Replicate:R3 | Time:0 Sample source:Culture | Species:Streptococcus parasanguinis | Media:Gifu | Replicate:R2 | Time:0 Sample source:Culture | Species:Streptococcus parasanguinis | Media:Gifu | Replicate:R1 | Time:48 Sample source:Culture | Species:Bifidobacterium longum | Media:Gifu | Replicate:R1 | Time:6 Sample source:Culture | Species:Bifidobacterium longum | Media:Gifu | Replicate:R3 | Time:24 Sample source:Culture | Species:Bifidobacterium longum | Media:Gifu | Replicate:R3 | Time:0 Sample source:Culture | Species:Bifidobacterium longum | Media:Gifu | Replicate:R1 | Time:0 Sample source:Culture | Species:Bifidobacterium longum | Media:Gifu | Replicate:R3 | Time:48 Sample source:Culture | Species:Bifidobacterium longum | Media:Gifu | Replicate:R1 | Time:24 Sample source:Culture | Species:Bifidobacterium longum | Media:Gifu | Replicate:R2 | Time:0 Sample source:Culture | Species:Bifidobacterium longum | Media:Gifu | Replicate:R2 | Time:24 Sample source:Culture | Species:Bifidobacterium longum | Media:Gifu | Replicate:R2 | Time:6 Sample source:Culture | Species:Bifidobacterium longum | Media:Gifu | Replicate:R3 | Time:6 Sample source:Culture | Species:Bifidobacterium longum | Media:Gifu | Replicate:R2 | Time:48 Sample source:Culture | Species:Bifidobacterium longum | Media:Gifu | Replicate:R1 | Time:48 Sample source:Culture | Species:Streptococcus parasanguinis | Media:Mega | Replicate:R2 | Time:24 Sample source:Culture | Species:Streptococcus parasanguinis | Media:Mega | Replicate:R1 | Time:24 Sample source:Culture | Species:Streptococcus parasanguinis | Media:Mega | Replicate:R2 | Time:48 Sample source:Culture | Species:Streptococcus parasanguinis | Media:Mega | Replicate:R1 | Time:6 Sample source:Culture | Species:Streptococcus parasanguinis | Media:Mega | Replicate:R3 | Time:6 Sample source:Culture | Species:Streptococcus parasanguinis | Media:Mega | Replicate:R3 | Time:48 Sample source:Culture | Species:Streptococcus parasanguinis | Media:Mega | Replicate:R3 | Time:24 Sample source:Culture | Species:Streptococcus parasanguinis | Media:Mega | Replicate:R2 | Time:0 Sample source:Culture | Species:Streptococcus parasanguinis | Media:Mega | Replicate:R3 | Time:0 Sample source:Culture | Species:Streptococcus parasanguinis | Media:Mega | Replicate:R1 | Time:48 Sample source:Culture | Species:Streptococcus parasanguinis | Media:Mega | Replicate:R1 | Time:0 Sample source:Culture | Species:Streptococcus parasanguinis | Media:Mega | Replicate:R2 | Time:6 Sample source:Culture | Species:Bifidobacterium longum | Media:Mega | Replicate:R1 | Time:6 Sample source:Culture | Species:Bifidobacterium longum | Media:Mega | Replicate:R2 | Time:24 Sample source:Culture | Species:Bifidobacterium longum | Media:Mega | Replicate:R3 | Time:0 Sample source:Culture | Species:Bifidobacterium longum | Media:Mega | Replicate:R1 | Time:48 Sample source:Culture | Species:Bifidobacterium longum | Media:Mega | Replicate:R1 | Time:24 Sample source:Culture | Species:Bifidobacterium longum | Media:Mega | Replicate:R3 | Time:48 Sample source:Culture | Species:Bifidobacterium longum | Media:Mega | Replicate:R2 | Time:6 Sample source:Culture | Species:Bifidobacterium longum | Media:Mega | Replicate:R2 | Time:48 Sample source:Culture | Species:Bifidobacterium longum | Media:Mega | Replicate:R1 | Time:0 Sample source:Culture | Species:Bifidobacterium longum | Media:Mega | Replicate:R3 | Time:6 Sample source:Culture | Species:Bifidobacterium longum | Media:Mega | Replicate:R2 | Time:0 Sample source:Culture | Species:Bifidobacterium longum | Media:Mega | Replicate:R3 | Time:24 Sample source:Culture | Species:NA | Media:Mega | Replicate:R3 | Time:48 Sample source:Culture | Species:NA | Media:Mega | Replicate:R1 | Time:0 Sample source:Culture | Species:NA | Media:Mega | Replicate:R3 | Time:24 Sample source:Culture | Species:NA | Media:Mega | Replicate:R1 | Time:24 Sample source:Culture | Species:NA | Media:Mega | Replicate:R2 | Time:0 Sample source:Culture | Species:NA | Media:Mega | Replicate:R1 | Time:48 Sample source:Culture | Species:NA | Media:Mega | Replicate:R3 | Time:0 Sample source:Culture | Species:NA | Media:Mega | Replicate:R2 | Time:24 Sample source:Culture | Species:NA | Media:Mega | Replicate:R2 | Time:48 Sample source:Culture | Species:NA | Media:Mega | Replicate:R2 | Time:6 Sample source:Culture | Species:NA | Media:Mega | Replicate:R1 | Time:6 Sample source:Culture | Species:NA | Media:Mega | Replicate:R3 | Time:6 Sample source:Culture | Species:Streptococcus infantis | Media:Mega | Replicate:R2 | Time:24 Sample source:Culture | Species:Streptococcus infantis | Media:Mega | Replicate:R1 | Time:24 Sample source:Culture | Species:Streptococcus infantis | Media:Mega | Replicate:R1 | Time:48 Sample source:Culture | Species:Streptococcus infantis | Media:Mega | Replicate:R1 | Time:6 Sample source:Culture | Species:Streptococcus infantis | Media:Mega | Replicate:R3 | Time:6 Sample source:Culture | Species:Streptococcus infantis | Media:Mega | Replicate:R3 | Time:48 Sample source:Culture | Species:Streptococcus infantis | Media:Mega | Replicate:R2 | Time:0 Sample source:Culture | Species:Streptococcus infantis | Media:Mega | Replicate:R2 | Time:48 Sample source:Culture | Species:Streptococcus infantis | Media:Mega | Replicate:R3 | Time:24 Sample source:Culture | Species:Streptococcus infantis | Media:Mega | Replicate:R2 | Time:6 Sample source:Culture | Species:Streptococcus infantis | Media:Mega | Replicate:R3 | Time:0 Sample source:Culture | Species:Streptococcus infantis | Media:Mega | Replicate:R1 | Time:0 Sample source:Culture | Species:Clostridium innocuum | Media:Mega | Replicate:R3 | Time:6 Sample source:Culture | Species:Clostridium innocuum | Media:Mega | Replicate:R1 | Time:24 Sample source:Culture | Species:Clostridium innocuum | Media:Mega | Replicate:R2 | Time:24 Sample source:Culture | Species:Clostridium innocuum | Media:Mega | Replicate:R3 | Time:48 Sample source:Culture | Species:Clostridium innocuum | Media:Mega | Replicate:R3 | Time:0 Sample source:Culture | Species:Clostridium innocuum | Media:Mega | Replicate:R1 | Time:48 Sample source:Culture | Species:Clostridium innocuum | Media:Mega | Replicate:R2 | Time:48 Sample source:Culture | Species:Clostridium innocuum | Media:Mega | Replicate:R2 | Time:0 Sample source:Culture | Species:Clostridium innocuum | Media:Mega | Replicate:R3 | Time:24 Sample source:Culture | Species:Clostridium innocuum | Media:Mega | Replicate:R1 | Time:6 Sample source:Culture | Species:Clostridium innocuum | Media:Mega | Replicate:R1 | Time:0 Sample source:Culture | Species:Clostridium innocuum | Media:Mega | Replicate:R2 | Time:6 Valine-d8 [iSTD] 6419328 7121461 6437470 11194045 10771997 11435926 10813923 11126888 11697597 11120451 11042003 11391655 11348033 10820127 11065920 10858721 11045979 10388608 10514633 10498711 10089312 10402453 9784405 10029676 10102638 10147263 10345207 10404308 10496088 10322885 10445236 10444218 10777393 10567697 10163353 10284190 10253192 10475071 10240886 10889719 10881345 11007772 10638475 10805542 10483831 10662812 10897141 11013042 10617878 10854305 10928755 10803179 11016661 10940519 10845367 11166049 10999377 11553123 11413237 11024931 10713072 10430679 10707971 10860109 12170364 10879400 6922842 6493254 6802897 6594783 6843152 6738366 6929559 6579747 6469346 7105173 6676550 6325600 6572434 6547354 6546111 6427312 6285934 6700380 6370798 6285836 6000557 6438312 6683734 6430187 6472885 6651277 6187075 6169006 6619121 6443532 6033054 6329528 6383474 6580769 6277988 6060389 6139607 6144082 6621783 6889223 6911110 6807544 6545115 6527109 6366640 6790869 6012510 6722273 6928940 6717121 6899734 6915187 6952628 6717646 6604694 6660443 6712146 6676600 6827481 10802478 10877381 10762398 10798998 10993367 10818934 10628747 11024617 10858775 10719747 10612018 11128253 11025097 11059494 10878179 10815274 10792921 11061504 10876865 10717562 10341969 10715286 10401455 10829665 10753855 10629023 10557560 10470019 10806811 10095710 10205793 10565342 10808050 10960412 10259338 10672643 11061117 10523225 10636525 10307294 10995924 10626325 10431006 10073505 10285717 10606414 10287366 10630883 11095307 10572726 10564623 10641067 10792670 10270009 10766783 10479810 10504881 10516021 10478033 10464392 Phenylalanine-d8 [iSTD] 62636717 68930645 66080395 38512304 38228493 39004905 39509599 39080008 41539416 38822963 38220971 38291848 38451986 37886141 38098061 37586803 37871623 36040360 36230223 36342507 35827001 34371266 35546583 35298263 35077542 35412827 36126228 36104932 35823353 37304302 38279667 36894554 37695736 37061413 37082443 36578287 36927789 37908280 37438412 37918918 38661325 39806234 38276031 38546112 37812100 38159543 38948357 38448608 39176235 38444086 38172753 40318235 41673608 41434105 41201571 41533313 41497042 42964322 43661240 40674243 37906649 39959000 37539279 36186536 42047680 38545502 27066300 25802628 24316220 24113131 25887717 25693315 26206369 25244058 26163060 24891774 24769832 25845866 24168339 24684185 24307916 24336637 23760532 24271649 24723336 24547725 24885076 24507390 24856086 24800251 25180594 25583065 24613342 24853012 24900193 25415142 24596816 23846310 24963062 24901514 24614514 24849472 25490914 26294553 25852304 26421760 26556686 26488695 26255965 25643367 26136563 24906005 24734432 24254957 25376772 25022588 25776379 25581233 24749553 25129356 25693675 24907818 25815896 24464501 25403340 29792814 30370512 29638449 29529721 28393780 29172636 29136249 27330555 26284074 29041283 27574701 28623840 28203237 30111960 28735285 31021631 29581323 30615556 29357862 30197148 28153012 29050163 28062896 29602409 26780980 27294780 27254447 27582244 27304604 25505535 27825205 27692328 27915793 27369941 26953650 27663858 30446153 29925998 30735840 28302006 31215122 31314899 27915121 30520878 30284827 29813745 28232858 28501818 29157643 33928677 33231993 32607329 28258495 32898886 33825806 27489052 33782307 30815021 28109576 29319479 Harman 208040 205933 201702 193697 210547 195401 202691 197786 179192 189779 198963 182990 189893 189113 187731 184790 191212 188683 194494 185247 182828 186725 190788 186988 192318 195148 190716 202658 183596 179822 188042 181445 193014 188840 194043 195418 189382 180352 188339 182908 183484 189997 187135 189668 187506 186245 186178 187142 189582 198274 191981 244310 223057 245891 230548 234071 235695 230765 232310 215547 207136 227439 221332 282596 214893 208445 73708 69624 67498 72087 73720 69988 71625 75028 81245 68755 66038 76395 54689 53584 53704 52695 55381 52897 52922 52601 54219 50717 52572 46442 46355 47189 47872 46760 46296 46776 46726 46550 46380 47979 47119 46586 41761 45201 50431 49826 50216 52501 47224 57644 51802 58048 41909 51815 51899 51220 52371 53738 52424 52261 51527 52459 51632 52835 53453 62203 55844 61743 52916 53136 52666 53262 51593 51238 53330 47596 57872 53837 56938 47307 54112 54213 54901 52726 61049 48477 52796 48220 55857 47446 47770 47464 46052 48879 50550 47028 50128 48181 47722 46570 46601 57562 55384 58934 53810 52092 60490 49457 60244 53200 52664 48356 48215 62397 75613 66673 71358 59389 78887 70457 58274 70393 68588 66142 58765 Phenethylamine 342326 332520 344354 358347 372013 351120 372521 366429 333566 352831 351270 343642 341511 344007 346426 308214 316504 314185 312641 305143 294559 307026 303010 300725 311889 312536 316513 330274 307809 319455 322182 332074 322614 318938 343859 321608 335663 314151 331743 330384 331489 342929 345844 329184 333330 336002 340257 330900 336747 349646 340569 334851 342399 326123 340613 337332 332720 304294 319018 328611 321336 326834 328993 332722 277629 315278 237769 233403 234805 233276 220691 229633 239762 225248 238440 229491 225654 224493 255816 247521 241627 257690 260965 245486 251336 242717 250952 247751 246516 210681 209939 211509 215284 211370 213407 209884 214101 207179 207460 211575 206260 231954 234501 235820 237427 236552 237682 234299 234924 232216 231836 229741 243827 235112 236481 238296 236166 233046 233726 235211 227930 222273 234075 231721 230029 112881 113234 112844 108222 113813 112300 113740 103518 105327 113104 105058 113536 112262 110142 113979 106534 112988 114703 110586 108152 104334 119628 109534 114809 80231 83823 88272 84628 92766 90854 85370 83544 89683 82625 82287 84281 132723 130512 134010 127469 138843 147138 123115 143413 139491 133277 130659 123226 102824 109192 108755 109116 105467 109020 108329 101577 104761 104079 104436 108583 Hippuric acid 481 460 499 542 530 505 675 631 708 721 634 689 789 541 696 470 580 574 523 460 706 573 507 656 526 514 588 600 481 524 458 684 548 513 630 565 564 713 467 607 476 803 758 186 577 589 661 703 692 601 912 739 672 742 656 709 671 578 708 782 832 715 851 723 650 713 5809 7057 8235 8090 7295 6067 6613 6876 6607 7144 6695 7548 7440 6171 7276 6491 7029 6502 7321 6939 7910 7532 8103 7232 8018 8731 8404 8016 6801 7739 8110 7466 7990 7343 7489 9505 9552 10717 7998 8834 9511 7586 8773 8185 8582 6429 8024 7420 7986 7738 8206 6446 6241 6953 8494 8061 7225 4795 7173 4707 4564 4133 3536 3070 3522 3554 3887 3028 3836 3740 4188 2683 4177 4066 3394 3296 2772 3449 3097 3503 3364 3557 2794 3467 3358 3814 2728 3435 3231 3220 2759 2308 3680 2242 2031 3591 2999 3740 5426 3355 3187 3362 5277 3299 3197 4480 3317 3352 2816 3062 2842 3231 5155 3266 2306 3169 3125 3787 3962 Tyramine 1157302 1135687 1135219 1129715 1157600 1181933 1153667 1157204 1106262 1157012 1144194 1098988 1142664 1109870 1105756 1105336 1110751 1101781 1111734 1080246 1062844 1083951 1053391 1078291 1074006 1116496 1100933 1039434 1037909 1085657 1078711 1081747 1086683 1095127 1104952 1077602 1093681 1093657 1114835 1102307 1083042 1074707 1077837 1153636 1054544 1119863 1050195 1115014 1075052 1097193 1126374 1116830 1152205 1138359 1144470 1151249 1143972 1075454 1106687 1068910 1069043 1125680 1084512 1155399 976826 1129890 131855 131619 134573 133444 123722 128286 131026 126855 129751 130780 123962 125770 172674 148086 152761 173659 172635 156144 167825 149383 159010 151790 157955 91375 88252 92640 89272 91195 93635 91568 90208 91742 88233 89210 91564 124341 127457 126749 126204 128157 128985 122399 129697 125935 125958 125753 130062 133479 133862 132135 132182 130976 126402 125881 124102 126017 139644 121724 123810 471125 465092 477974 457515 472879 463978 460230 462232 453388 455851 458060 476937 477156 471333 475283 436627 453831 449597 455313 461322 460872 473676 456857 456366 441137 431300 435256 441580 446584 468694 425640 439952 445420 444020 440141 443776 488673 477307 490576 502576 495435 507542 479516 490684 489851 484001 488352 485069 465260 471361 485821 469458 461571 487650 488813 463357 478628 475319 474872 472546 Hordenine 605 504 496 179 907 150 270 265 143 188 297 135 187 202 297 93 92 327 406 108 167 685 322 157 206 237 60 333 465 258 217 334 298 204 465 455 425 231 295 288 169 680 417 318 358 263 279 213 434 411 178 228 448 576 284 272 312 397 297 264 248 174 573 444 467 373 1985 1968 2201 2056 2115 1962 1852 1969 1966 2004 2080 2197 1887 2280 2111 2413 2098 1961 2342 2055 2154 2359 2289 1937 2303 2181 1799 1982 1944 1909 1884 1919 2107 2191 1842 2011 1986 2313 2029 1842 1962 2088 2039 2272 2128 1709 2300 2114 2122 2162 1925 2405 2032 1895 2076 1956 1829 1778 2030 687 681 943 669 624 826 834 124 320 780 185 347 935 74 1062 752 1000 450 976 178 170 85 953 158 312 145 182 94 88 87 75 159 80 594 671 716 322 464 937 438 775 684 288 60 167 615 533 697 72 845 707 329 770 466 138 3-Hydroxyanthranilic acid 5527 4601 5294 912 503 390 410 446 472 881 435 696 472 399 370 346 331 278 292 540 283 369 324 246 307 360 337 550 472 184 382 475 596 714 1177 379 623 370 360 634 350 594 533 635 375 752 503 678 440 436 494 6960 11098 11208 845 12022 7392 588 8468 809 432 695 520 356 217 340 3665 2924 2170 2172 1962 3019 3335 2155 3304 2116 2308 2982 1967 2649 3723 1812 2279 2211 2027 1853 2258 2354 2052 1859 2206 2090 1543 1668 1711 1699 1756 1506 1905 3529 1755 1738 2132 1504 1784 1586 1820 1697 1950 1771 2272 2252 1913 1780 1800 1835 1772 2082 2048 1478 1927 1909 2479 2093 2038 2095 1587 1725 1824 1884 1778 1976 1952 1691 1919 1822 1880 1562 1702 1827 1747 1668 1711 1671 1876 2180 2032 2175 1656 2142 1930 1888 2082 1987 1896 1859 1942 1868 2100 1698 1798 1795 1728 1916 1818 2433 1946 1715 1712 1975 1525 1453 1369 2246 1682 1841 1851 1633 2174 1582 1438 1781 1774 1549 1701 3-Methoxyanthranilic acid 7749 7717 7666 3096 3367 2842 3081 3090 2827 2689 3099 3059 3068 3145 3222 2691 2749 2741 2736 2800 2585 2545 2816 2460 2842 2704 2588 2757 2430 2710 2520 2722 2796 2900 2852 2563 2734 2673 2697 2737 2802 2820 2765 2928 2580 2822 2656 2686 2900 2859 2897 2634 2701 2692 2581 2780 2721 2317 2604 2704 2553 2735 3096 2748 1912 2581 22761 23168 23598 23835 22883 22094 22423 22893 22935 22661 22917 22777 22682 23377 23686 22971 22605 22304 21722 23420 23607 23224 22824 23681 23150 23188 22848 23665 24394 22569 22387 22424 22622 22913 22672 24027 23092 22571 23330 22988 23894 23438 24141 23665 23929 23784 24846 23600 23503 23595 24315 24581 25151 23847 23000 23033 24480 23940 23911 4760 4829 4642 4806 4990 4831 5118 4955 5131 4857 4889 4867 4836 5010 5247 4704 4915 5094 5179 4780 5035 5341 5121 5033 5180 5079 5155 4638 5153 5554 4869 4771 4951 4986 4945 4857 4738 4786 4821 5252 4941 5000 5218 5166 4624 4852 4846 5013 4494 4176 4514 4603 4500 5002 4404 4330 4671 4356 4730 4496 3-Methoxytyramine 1581 1419 1278 1456 1424 1180 1306 1450 1112 1265 1286 1310 1330 1061 1249 1130 1139 1122 1168 1060 964 1131 966 1270 1089 1007 1348 1188 1153 1245 1229 1373 1251 1412 1426 1372 1084 1143 1245 1339 1316 1302 1144 1152 1218 1580 1467 1413 1388 1654 1256 1372 1327 1374 1497 1716 1752 1625 1392 1753 1191 1460 1600 1683 1195 1386 7630 7929 7779 7533 6874 6862 7040 6990 7235 7269 7407 7126 7271 7568 6925 6947 7234 6838 6754 6887 7383 7487 7140 7567 7326 8031 7545 7847 8177 7842 7559 7713 7630 8339 8333 7887 7998 7692 7985 8562 8384 8214 7994 8394 7261 7510 8301 7996 7709 8257 7597 7347 7487 6978 7464 7451 7450 7285 7581 2882 2601 2736 2322 2574 2092 2925 2405 2364 2577 2539 2072 2059 3719 2242 3070 3111 2854 3146 4166 2094 1989 2586 2557 2022 2329 2822 2228 2610 2440 2796 2400 2820 2490 2065 2146 2349 2421 2085 2426 1937 3178 2663 2530 2299 2593 2297 1877 1809 2063 2425 1677 2216 2756 2248 1665 2626 2423 2209 2088 Maltose 1316097 1501522 1390499 240440 312594 2748843 371526 270589 2686262 289882 320607 275983 2767261 299034 333666 2764484 2900163 2810259 2711456 2714882 2554713 2876392 2842384 2638186 2747892 2721529 2787573 225380 2507436 2618513 221352 221980 193151 200538 223369 218205 227150 3083593 224078 3116904 2624613 1841470 1863876 2734444 1742356 2607252 1891593 3162226 1846530 1876948 2885381 3031510 2909695 3289177 3346055 2995615 3239883 2887411 3123457 2859716 2786215 3085738 2862894 3146432 2473209 3031568 313721 344519 358771 319548 314891 354180 273822 307089 267683 373570 322353 306867 336267 337696 439731 459683 443414 384225 439026 267818 335726 344476 386769 285672 306871 312012 267644 258176 308658 263368 289476 252395 302765 262689 259299 251523 266966 219978 385191 274844 299119 277149 300162 336387 351897 356569 274233 342224 363999 363576 377990 338730 272630 347573 291407 295061 385988 308274 340041 3226032 3266462 2610258 3681476 3618171 2596338 3126775 4213414 4435704 2534378 4327327 3777795 3842879 2443865 4407195 2675213 2826599 2597204 3002302 2707669 4673833 3617932 4569832 2720603 4438077 4622885 4273909 4459020 4431127 4933733 4178554 4462184 4428472 4445355 4191166 4300283 3221961 3313624 3071547 3753188 3543038 3115856 3960903 3078834 3064136 3428549 3885410 4018819 4262631 1909333 2052765 2202966 4487991 2065908 2249601 4165550 2114390 4507524 4313910 4307243 Sucrose 289404 296384 285146 300702 308101 364090 313923 310994 357019 315122 304688 300670 378197 300999 305291 348715 371324 357423 364164 358272 339930 350741 375339 355845 367660 363910 358904 298909 347164 353454 293438 299390 307408 310735 299606 305157 296202 360008 291446 356207 348326 324460 320697 362841 319745 367190 326599 382970 347225 346865 380038 408616 403427 412862 390265 396332 404387 380464 396724 371937 375526 397640 389962 401215 335077 384501 6922 7396 29520 30809 34999 7617 5686 33760 7196 32652 28620 9260 33462 27161 30927 44643 37544 33677 36294 24976 31400 25937 30505 4371 4648 4762 4389 3849 4663 3907 4230 4126 4799 4105 3777 13478 11498 13150 17078 14831 16488 15114 11933 18612 16729 20863 11054 18606 21799 19202 17917 21515 20103 19678 18521 16791 21352 18474 20343 170514 169728 117455 209313 213907 114163 162372 255992 259179 114943 255607 224344 229761 201189 261222 187087 198427 184848 210983 198088 274047 236321 259699 204744 249403 252308 243235 251998 249475 277791 243740 252267 256831 248514 245613 247752 187244 192340 152350 226825 218345 166788 253476 147940 183143 214825 252506 255640 266221 66364 66730 69041 273987 71246 69659 273120 66256 275223 278622 266147 Lactose 12331 13400 15721 9358 9387 10356 10182 9711 10616 8973 9926 10049 12097 9372 9839 13200 14005 13738 13694 14243 13139 13626 14439 13415 12745 13705 15333 11846 13267 13683 13304 12912 12656 12790 14162 15024 14331 15197 14472 14952 854 480 98 531 286 608 13433 187 1702 11734 15364 14465 13731 14088 13577 14678 14476 15172 12518 11664 13697 12666 15927 12232 14902 112 113 100 220 153 347 90 271 155 120 112 256 130 350 273 100 139 98 86 412 108 301 187 757 89 242 214 2 233 233 149 66 70 2 129 1123 1681 104 3289 3473 4235 3307 121 3942 73 169 4581 176 3615 3482 4247 3374 4083 2493 3949 3581 4388 3800 2462 4433 4013 276 413 169 2873 361 466 2591 3133 3118 2339 3845 2160 2607 1637 1604 3073 1608 2864 2938 2356 N-Acetylgalactosamine 5349 4740 4622 9535 18039 5881 19122 18043 5438 9143 19141 10819 6419 16246 18275 6002 6082 5595 5846 5823 5867 5770 6232 5314 6108 6878 5739 12000 5770 5714 9492 9633 10066 10245 6554 6055 6070 5529 11738 6132 9569 11680 11421 11395 10788 12646 14041 6412 13787 14885 6786 729 481 796 1162 557 672 1366 897 1280 822 1282 658 5838 5475 5411 464 281 183 526 468 41 38 215 197 250 248 124 4205 1685 7533 6804 2804 7144 2206 3355 2596 2595 2126 8438 7444 7414 8211 7609 7837 6928 8053 8215 7784 7994 8082 108 101 202 8377 1593 5695 113 43 3050 8046 7732 134 10192 11468 8052 7416 10611 10887 7728 10286 10184 10278 11309 12239 64 147 46 2411 2618 49 2495 129 5010 1071 1967 687 2370 1303 5543 995 2256 5492 2785 3109 2675 2649 2450 2380 2810 3080 2354 1918 2810 1639 2276 1959 258 462 161 358 615 54 2603 150 197 339 2409 1784 54 65 154 140 86 66 164 100 61 62 Glucosamine 1334 1772 1659 2525 4024 2738 4838 4688 2728 3329 4390 3214 2671 5743 5406 3535 3817 3609 3514 3513 3018 3430 2930 2738 2621 3814 3283 10216 2759 3215 10143 2922 3032 2992 11003 9236 9156 2542 10096 2589 2630 2301 2281 2697 2410 3242 2349 3405 2717 2928 2921 657 464 425 3146 430 591 2961 475 3238 3429 3419 2940 1285 520 2200 1423 1443 2176 2351 1434 1221 1375 2310 1071 1870 1938 1344 2389 1682 2365 1840 1356 2203 1847 2282 1253 1533 1948 2200 2233 1721 2303 2321 2112 2251 2329 1780 1759 2098 2269 933 970 497 1656 1956 1391 1106 949 1767 2123 2459 603 2223 1922 2231 2276 2517 2114 2724 1907 2438 2045 2597 1683 136 443 139 293 160 498 549 352 79 86 188 142 132 256 121 174 206 135 236 110 95 451 116 166 121 150 364 336 465 98 460 869 314 107 315 272 161 284 98 142 144 107 Hexose 323557 408687 308752 150568 68427 154554 67730 72371 164912 143245 81729 141071 143020 80442 79274 160004 148019 145792 144261 145386 122899 139954 138694 135057 150361 154506 150282 43235 168848 148086 29869 122135 117629 118785 5796 2188 2837 179934 38683 146202 106891 3576 4461 112886 10319 116606 3406 150287 10309 3759 150077 42 62 74 192184 35 176850 15 148118 125799 170427 141300 25 46 21294 25042 23620 79 176 961 256 111 8225 22537 20399 36 21983 12131 23062 22168 22325 21609 22497 23529 24373 22399 24639 22671 24078 24289 21765 22325 23023 3163 22415 20898 59 22594 101 501 4207 124 1755 1269 1554 927 1341 1570 1635 37630 50033 1365 37231 797 42380 7301 46518 16431 20756 14235 50210 15207 38979 54155 35872 14775 29839 35318 33585 31936 50380 32120 32311 28667 32083 32521 36927 42886 5148 4876 6350 19267 18942 5830 37342 5750 5483 23366 38536 39007 70860 7621 6146 5175 38913 5733 4894 36260 4244 43143 31427 45472 N,N,N-trimethyl-5-aminovalerate 13093 13280 13479 7989 8771 8225 8761 8673 8704 8345 8339 7987 8918 8215 7869 8692 8805 8259 8439 8659 8762 8164 8535 8341 8611 8284 8545 8484 8560 8402 9015 8613 8728 8350 8103 8553 8603 8722 8505 8699 8263 8796 8320 7634 8706 8303 8744 8413 8987 8831 8917 9726 10149 9796 9059 9597 9133 9088 10213 8736 9107 9139 8592 7025 6491 7677 57481 54829 52490 52853 51626 55034 58874 55658 59382 54524 54290 55783 53696 50787 53602 52166 47951 51804 51819 53839 50633 53224 52645 54830 54255 56921 53622 56825 55584 55817 55326 51805 55821 54508 55555 57563 54995 49889 54086 53994 53725 47926 50251 53307 53799 54207 56494 52017 53475 53487 54100 55006 53046 54880 52034 53088 52611 54467 54064 57737 59276 58726 59365 61530 60280 58513 60588 60578 58259 62652 60615 57881 50042 59586 48619 50729 47294 57575 46226 62946 59610 61632 52839 64366 62069 60630 63063 63153 65200 63084 64249 64955 64216 66278 65341 55646 54344 50069 60631 58941 49107 60734 51087 52653 58792 60351 62074 62176 69268 68980 71121 63524 69393 67369 62759 68245 62481 61347 64052 gamma-Aminobutyric acid 744837483 721805641 769133832 57686701 58216699 56502196 54658079 55702794 52374497 53745175 53520253 51425407 52121307 51801997 51536481 50825264 51017377 50725708 50015453 48252880 47377918 46943040 47569029 46072337 46674765 46123779 46893615 47311135 43372045 44344590 46807532 46054197 47486352 47171863 48248052 46506787 46612057 43899655 47363373 44168443 45140170 46600631 47917813 46806695 46877405 45867194 48494665 46662370 49228074 50737254 47528744 51326910 51005935 49859241 51164667 51476812 52945330 49550962 52090210 49481103 48144336 51952091 47634558 523562826 435072699 508383406 52930880 53042848 53261867 53355932 52488506 52793509 53767068 53010297 53537250 53059321 53138078 52870854 51111436 47416818 51998348 52747491 46532376 53730760 52503839 55507553 50488457 54974806 56180655 57126999 57402215 59673876 61107443 60456235 61437912 61969159 62631945 62869984 64713229 65345700 65512555 56667813 54920013 54737129 66272579 64116717 63347556 52658156 54239308 60481078 62093065 63146199 52109468 61626635 61497781 59399514 58294643 59739940 58566981 58024430 56950133 56103400 57834518 56998519 57100419 27003869 31585218 30835009 29168388 30379030 30679211 29704105 29779733 31721512 29495968 29488338 29870131 29757285 30445089 31891092 28282195 29203583 27824211 26561634 30058938 30005404 28796966 28613079 31052651 29978056 31932322 33237033 29512098 32815766 31647488 30509529 27172893 27873089 27703995 27533513 28641365 26169581 26959979 24916569 25657279 24610925 24666053 23317524 26176539 20938761 24637656 23531646 8274064 10707773 10502786 9072237 24415957 23296397 25370096 25443364 21364548 23803427 23390875 22158463 25557382 Aminoisobutyric acid 146778633 150862635 153408231 13610176 13690314 12301022 12740239 12708437 11740502 12103741 12322565 12444381 12606265 12044475 11773883 12057825 12596767 12016328 12772933 12190007 11741056 11876003 11700887 11869786 11847349 12056217 11861183 11108136 10483907 11387816 10954494 11024895 10955298 10992176 10889264 10590071 10907074 10613300 10860641 11125061 10838183 10382540 10284697 11139452 10672601 11734594 10939121 11315594 11376079 11431032 12453798 11640755 11859244 12019909 12401702 12355084 12745393 11934259 12717405 12521875 13335095 12848139 13041293 57112801 39703450 64810942 17511612 16940595 16563350 16519228 15780999 15554257 16269177 15393363 15686600 15172406 14623459 14170234 14456179 14657074 14283388 13186672 13411402 13423914 13350867 13543063 14532258 13438988 13820205 13764696 12921992 13660450 13347501 13310843 13141675 13256646 13039142 13026056 12547266 13140299 12634194 13324102 12983347 13053230 12332520 12404942 12429043 12795125 12756346 12582981 11891560 12428565 12445957 12113317 12038065 12631847 12032740 12216092 12211022 12006765 11662405 11214512 11694556 12178265 12123648 7299365 8449164 9017111 8709375 9471294 7733424 9921233 7164017 9493363 10841538 8870599 9200922 10965487 10174976 8062635 9202387 8470176 7800285 7534941 7666130 8954122 9502060 7008653 6919568 6917961 6851371 8422591 8769342 7839230 7877774 7968839 7763010 6718337 7231430 6926585 7286438 6349616 5653032 7044717 7447149 5990039 7457598 9347935 7314081 7216896 7624861 9157691 7128228 8100213 7978018 8619619 7301254 8039394 7326230 7368483 8012223 7057863 8795949 6248710 6057298 Dethiobiotin 141793 138868 142698 141638 147078 143825 143875 143321 131496 143304 140546 140754 140362 133391 139944 127468 131804 132790 132460 132531 129182 132860 133757 133785 136872 133820 134624 135854 129113 132636 135575 139805 134126 135153 137173 130992 133658 137007 135652 130969 120384 67629 77669 111849 61143 100336 77538 132243 67997 63503 137330 154974 143170 151452 149251 149255 151694 145948 150935 132783 131648 146274 134847 133700 103383 127652 198742 205480 198263 202997 191985 192910 195735 193853 198958 199533 192619 190476 200488 195020 197636 196309 198864 198946 189564 191244 195569 193868 191042 189354 185126 185007 183980 187786 188927 186569 185865 182797 186724 188127 185733 189621 194447 190190 197780 190717 188258 192528 198019 191275 189662 187094 191504 186593 175659 188261 187966 172451 174372 190078 174353 178385 179241 174255 169380 143335 144807 147888 117392 145136 147638 143101 148605 143921 123715 130456 147535 106756 14637 150136 30125 28397 32494 92845 38612 144748 115537 154556 24468 144089 143818 146976 144486 145931 150282 142929 141955 147158 140974 135970 138302 153015 154200 166228 163153 157104 161594 151368 164678 157061 151048 151739 146751 143460 139528 144105 144061 144319 142047 144740 142669 142303 144325 147094 151237 Palmitoleoyl-EA 7935 12196 6364 3484 11161 12699 5830 10921 7525 4568 3409 5478 7092 10780 4337 11277 12416 13285 31753 7626 19615 17921 12335 7354 22725 19911 26805 28382 13258 51103 10634 9838 12693 13042 8312 36037 9493 23198 16297 19488 7654 14196 8963 11561 9788 7756 8935 4355 18369 4253 5340 3821 975 2720 1847 4659 1827 3767 2146 2539 3567 4301 1758 3074 4319 6719 11628 46803 7113 7844 5140 8439 9781 5027 10058 11033 12346 17460 6544 4109 4569 25262 16414 5374 11912 9126 13185 4579 6401 7068 3338 5878 15235 11183 15825 10170 12527 30683 9119 14420 7565 13634 8551 7645 7148 8536 4855 7445 17135 36630 9194 18542 8830 12752 12195 10101 7751 9432 10710 17783 9025 13357 24920 11197 17982 3524 5874 6801 3201 4263 4313 3894 1716 9322 4621 949 2684 15057 6815 9809 3698 10533 2052 18921 3919 763 6423 6935 7185 1940 2665 19121 2172 3857 4211 2784 12335 8673 4775 10859 17290 7521 8105 12152 1445 6110 12559 7527 13668 5044 1763 10087 3460 3277 12743 22124 10199 7953 11019 9305 9933 723 18422 6479 6003 Stearamide 320 882 575 713 426 298 418 567 1184 1078 547 765 471 1048 784 811 574 862 5576 1157 8666 2430 2760 1272 2081 2622 5549 1493 9993 45666 2066 1303 3921 1717 7798 8433 1532 3066 3751 5162 2862 1035 439 627 11219 338 548 799 1079 758 780 708 1676 1272 1053 831 675 3378 84 1573 302 340 255 267 1955 1279 1274 3040 1079 1048 397 1413 4094 558 3379 727 1216 3146 1142 1756 2666 5450 1349 1156 2136 2087 1418 1100 1210 11117 2179 2571 11118 1632 3153 3463 4303 17666 5357 21321 5052 4510 4082 7509 2435 2390 6738 4014 2864 3961 2889 13469 4236 2362 531 1900 2297 4634 1346 25752 4245 7536 18265 2786 9765 681 2389 1965 125 392 1675 6133 778 10946 1973 164 2005 4501 2037 4382 940 4541 3025 1502 255 1088 15105 78535 1447 793 1517 1020 1753 2559 3256 4637 25364 842 6745 3027 2332 17184 855 2332 1909 13624 4244 9432 2110 4536 858 6395 1092 1289 21855 9423 4000 11076 1702 2614 618 319 4979 502 11372 Putrescine 17889 17583 19437 1680 1749 1734 1706 1617 1566 1748 1728 1534 1603 1675 1854 1326 1501 1371 1401 1336 1331 1330 1364 1201 1274 1347 1296 1463 1351 1250 1504 1432 1448 1454 1582 1439 1507 1303 1493 1439 1588 1435 1445 1655 1518 1592 1512 1601 1444 1581 1692 1571 1540 1632 1490 1604 1551 1316 1558 1605 1480 1680 1529 195627 266710 448630 8440 8408 7826 8008 7194 8127 8139 7905 8404 8161 7879 8135 8154 8500 8024 7895 8400 7571 7847 7804 8393 8177 8225 7716 7549 7722 7966 7813 7893 8015 8007 7750 7922 7892 7999 8697 8732 8585 8072 8458 8360 8106 8648 8288 8046 7831 9123 8076 7980 8121 7986 8083 7819 7869 8138 7718 7928 8050 7735 712 589 478 523 709 486 406 494 710 668 466 349 452 287 557 76 242 220 102 126 370 371 362 170 218 363 236 271 317 321 386 212 161 250 272 412 287 442 74 293 476 342 549 287 338 454 661 655 465 299 382 285 567 208 343 546 148 355 539 433 Cadaverine 34193 29796 39231 10457 11296 11033 12015 10874 10843 11900 11080 11014 10554 10764 11545 6364 6703 6441 6361 6341 6381 6056 6218 6153 5924 6211 6130 8036 7890 8089 8242 8221 8506 8054 8647 8237 8483 8409 8499 8520 8723 8737 8773 8952 8970 9141 8507 9015 8468 8667 9155 8951 8834 8826 8955 8632 9111 8536 8560 8479 8125 8472 8825 972355 934250 837763 9287 8953 8683 8368 7929 8296 8796 8652 8733 8453 8441 8492 10356 9774 9531 9906 10743 9235 10165 8927 9940 9718 9780 6838 6785 7115 6737 6842 6990 6872 6937 6922 7226 6783 6743 9062 9133 8907 8404 8531 8651 8563 9094 8531 8358 7879 9375 8362 8909 9041 8487 8242 8506 8409 8407 8274 8323 8475 8176 3257 3400 3409 2827 2792 3046 3267 2813 2999 3179 2675 3054 2994 2246 3282 2312 2402 2535 2354 2178 2939 3050 2758 2720 629 672 662 509 639 849 689 621 646 463 591 504 4051 4129 3815 3472 4919 5088 4038 4381 4664 4443 4946 3820 2670 2643 2454 2425 2650 2837 2963 2477 2659 2198 3103 1945 Tetradecylamine 42789 70806 78659 97225 48219 37076 80118 51490 42757 204819 34411 148474 68146 74852 68261 80770 81027 52269 44750 100208 64210 88387 85387 155247 43012 64038 67539 136444 164015 89466 98564 97230 120229 192866 206973 72328 93701 109831 94358 158079 132691 62431 42914 96590 184114 124657 118696 148286 112383 66222 60057 82571 360995 111513 105426 128292 70976 48617 95449 181054 56596 63117 84562 37571 52155 42265 87733 77043 23251 65933 46676 88832 59992 58943 72126 55739 68945 73922 53485 77538 45423 71934 85952 108336 93564 60631 56654 132212 41945 64226 252019 88132 28429 47157 55687 47835 82223 65008 107683 21444 22491 20701 96833 72679 63258 21346 84081 14993 91693 39511 45062 81016 60426 44993 40642 34886 47755 55692 47455 48592 67093 34285 52944 27151 22343 37481 22552 25387 10287 15153 25687 28944 33933 11352 44873 11887 25788 17448 44501 14991 15984 11516 8025 7680 9404 13422 14445 26304 6068 31967 15408 7548 23261 13122 12120 23795 15008 7680 21678 7974 5906 23955 4709 8135 16606 38306 22387 7992 19095 38762 6877 8719 13965 35177 51548 11691 9146 28778 9782 5366 12198 45846 21009 8960 22658 3-Dehydroxycarnitine 52614 53097 54559 48792 51789 49651 50003 49997 48576 49438 48957 50055 48478 48743 49873 49381 49225 49566 49693 49568 49886 48954 48859 49676 50119 49326 50486 51388 49135 50080 49959 50104 49666 50110 49696 49447 51584 48028 50282 50131 50842 51628 48931 48984 50816 50142 50442 48517 51219 50832 50423 54344 52701 53900 53235 53195 54070 51776 54149 50259 50079 53108 47930 50186 47345 52559 170497 177552 168370 167960 169136 170991 168686 168165 161085 167464 167290 168239 165684 163690 167905 163458 157430 166326 162611 164438 164563 168983 163084 166004 167634 172551 168786 169227 167753 170418 171414 170239 171183 172536 171150 162365 162974 163959 169804 172252 168027 160388 162651 165659 164166 166295 158570 167383 166296 167770 169317 166548 171133 168708 168034 163961 163843 166232 165331 40988 42433 51037 38907 38263 46737 41942 37987 37182 45549 39206 39105 38775 40994 38358 41791 40818 42890 39057 43387 38547 38767 38420 40219 39491 38220 39737 38729 39677 38666 38814 39068 38655 38323 37810 39006 37761 38742 41826 36626 36795 40125 36236 39865 36547 36966 36680 37310 37763 37444 37649 38466 36990 38357 38179 37536 36729 38242 36301 37951 CAR 2:0 6379 5858 6418 6519 6980 5882 6084 6194 6392 6311 5823 6221 6257 6375 6278 6145 5875 7012 6467 6096 6657 7103 6435 6503 6315 6670 9043 6667 6290 6184 6337 6438 6642 6601 6556 6697 6429 6120 6621 7668 6925 6884 5389 6527 6594 6697 5432 5462 6476 6884 6515 7060 6909 6913 7081 6807 6582 6357 6832 6128 6382 6790 6273 4137 2527 1867 4573 5995 5821 5918 5949 5836 4280 6059 4432 6000 5871 5452 5797 5745 6253 5353 5504 5594 5907 5450 5254 6005 5628 5560 6210 6205 5893 5781 5547 6009 6459 5862 6527 6747 6534 4542 5008 5403 6271 5881 6521 5410 5475 6079 6045 6506 4333 6126 6047 6104 5948 6249 6722 5900 5806 5653 5802 5008 6379 32312 32847 38715 31855 32210 33191 32932 28752 27743 34756 29381 32391 30030 25744 29251 31104 29916 31300 24236 25932 30515 29226 24824 31243 29201 30547 30004 29508 30670 30036 30433 30227 28969 31204 30922 31849 27768 29845 30047 27964 28088 31106 29196 30591 28424 29009 28353 30223 31258 32268 32839 31302 31204 31911 31171 29627 31371 30059 28742 29770 CAR 3:0 120264 155017 135429 17307 46758 34041 29810 39025 41155 47630 19991 31580 58337 61143 43948 24714 41772 50934 75901 41994 37194 47614 51557 77925 28183 72588 73315 57766 47149 51730 10881 81126 28010 40451 42413 75289 58423 48100 39792 46203 37116 41029 51983 62474 49919 44087 69373 26158 84926 18927 81744 82439 57009 67255 89267 58343 63167 65809 57891 75503 52453 101230 67296 22962 15743 32709 326229 392448 330313 320121 283964 365944 330675 360025 334098 349513 283338 329359 347216 239680 361379 298969 313268 340378 315049 276217 329921 389043 366253 365615 316654 310691 301419 332171 363584 294867 280307 306534 327148 338319 325259 319396 320106 219839 272389 324803 306946 282445 322562 299093 319216 258483 312327 287671 179713 341619 287000 218327 265950 236784 234511 258060 283272 176390 325042 1061541 1168311 1002198 1278673 1231152 1074222 1223099 1285726 1284350 1076552 1297531 1364268 1237775 592016 1354157 581762 835954 498648 1094077 435472 1395084 1163204 1237761 677064 1480366 1474146 1590996 1505975 1433696 1526908 1476733 1434069 1376840 1417120 1338901 1320128 1035817 1072987 999766 1253918 1095378 1014459 1301719 899222 931223 1179720 1126072 1112673 1172125 1166244 1267758 1210987 1223290 1284650 1326804 1286688 1325309 1242061 1269230 1195789 CAR 4:0 5728 5517 5690 4082 4867 4463 4864 4149 4322 4304 4117 3835 4308 4308 4178 4138 4089 4163 4390 4274 4498 4596 3949 4133 4542 4695 4548 4137 4522 4400 4016 4578 4741 4858 4400 4229 4657 4811 4541 4393 4136 5206 4328 4124 4819 4866 4355 3966 5004 4933 4447 5016 5528 4588 5131 4978 5318 5204 5098 4603 4436 4868 5077 2983 3035 3190 7596 7094 6154 6074 6471 7043 6403 6834 6986 6654 7645 6156 6515 6301 6871 6414 6223 6064 5679 7197 5219 6759 6814 5904 7143 7228 5707 6852 6424 6684 6425 6315 6473 7641 6912 6665 6209 6457 6987 7379 7061 7258 6521 6986 5961 7297 6739 7512 6222 5965 6580 6477 6079 6780 6634 5652 6043 6551 7097 36740 37027 44156 32882 33553 42321 36228 34265 34825 42955 33559 34458 33703 31248 34498 33589 34053 33164 32565 31697 34663 34582 32448 34451 35716 35683 33934 33174 34770 35223 35058 34032 34682 34382 33809 35103 32552 35852 36943 36318 32774 35648 33809 36179 33737 32991 33249 35015 34351 35103 34689 34159 36124 32403 32763 33869 34257 32826 35341 35199 CAR 5:0 9378 9444 9211 7145 6597 6529 6851 6964 7376 6862 6760 6609 7361 7334 6606 7720 7887 8150 7995 7835 8049 7347 6787 7723 7529 7486 7171 6985 6834 7036 6696 5834 7730 5885 7119 6327 6059 6685 6337 5896 5942 6987 6023 5586 6464 6618 6117 6025 7042 6852 6668 6737 7305 7567 7576 7860 7438 6895 8050 6883 6838 7319 6379 7442 6024 6284 4234 2994 3818 2727 3335 2384 2864 3680 2263 4035 2416 4004 3137 2444 4100 2873 2456 4145 2523 2528 3191 2706 2918 3370 3532 3022 3042 3552 3219 3618 3815 2868 3656 2692 3366 3234 2445 3079 3451 2812 3214 2819 3147 2972 1999 2841 2148 2715 3374 3148 2951 2784 2729 1945 3896 2755 3280 2368 3118 5725 5718 4759 6322 6564 6102 5948 6737 6905 6311 6882 6380 6152 6447 6641 7557 7284 7923 6558 6906 6607 6478 5999 6647 8025 6429 7132 7019 6289 6907 6272 6437 7591 7438 6673 6852 5762 6248 6095 6775 6449 5986 6258 5906 6637 6364 6162 6679 5972 6463 6696 6473 6382 6092 6739 6677 5992 5842 7153 6513 CAR 5:0;OH 5691 5574 5693 4737 5423 5350 5397 4877 5038 5491 4646 5640 5304 5913 5216 5542 6124 5282 5866 5907 4921 5980 5724 6112 6103 5356 5374 5415 5330 5576 5665 5782 5852 5395 6030 5685 5811 5579 6065 5706 5004 5754 5293 5608 6175 5609 5041 5154 5731 5497 5314 5667 5921 5174 5391 6273 6063 5912 5422 5368 5853 5888 4695 5668 4785 5488 1655 2195 2260 2509 2069 2524 2220 2728 1359 2073 2439 2040 2158 2447 2172 2019 2190 2268 2138 1816 2485 2038 2429 2199 2292 2434 2326 2169 2158 2004 2130 2111 2643 1667 2079 1177 1213 1753 2399 2449 2449 1404 1843 2034 2402 2024 1907 2522 2119 2152 1835 2638 2165 1897 2246 2682 2210 2286 2482 7741 8794 9765 8564 7828 8671 8450 7577 7347 8573 7738 8012 7287 8053 7408 7574 7737 8271 7359 8637 8395 6940 7883 7786 8704 7609 8223 7875 8564 7937 8317 8527 8375 8863 7929 7724 7047 7258 8234 6861 6293 7228 7292 6904 6626 7147 7128 7102 7799 7011 7031 6498 7426 6855 7564 7231 6712 7012 6785 7654 CAR 7:0 31 21 276 131 38 32 46 31 7985 7171 6858 7007 6933 8388 8455 7330 8270 7579 6862 8001 7421 8496 7403 7506 8420 7165 8339 6951 7982 7821 6377 8873 6979 7518 6179 6232 6621 5948 7043 6109 6621 6604 5780 8229 7652 6869 5811 6986 6469 7552 7635 7050 5937 6865 7956 7218 7898 6037 6388 7618 7185 6589 7599 6727 6470 6978 8102 CAR DC7:1 73453 66586 81990 80447 108827 102095 105031 56914 103031 82386 82249 117632 113205 75865 53512 40355 58154 47781 67742 45851 48234 51540 28465 76766 9009 32909 88993 26774 77521 78355 56961 58997 37554 43923 74130 63856 35555 65095 59264 73326 155289 202759 161987 211636 118006 155186 77574 242765 189902 18806 56518 20163 84650 77446 23596 56806 31951 44306 76260 58923 23034 51576 85220 110246 91860 880110 950971 1021570 993189 1055911 818213 988041 978721 888145 1083399 1221252 1093257 827084 785713 1112884 1157621 586386 1071707 808832 1016868 481815 782021 881110 1062332 1071415 877126 981290 982471 929666 939693 917097 796725 1089685 902739 932055 42694 20973 162844 1025634 722396 718573 158673 219377 839819 862118 890421 45251 1121050 1579513 994046 1001887 2001460 1707009 1036234 1582930 1180162 1047857 2022013 2026442 35228 39432 71099 122655 9026 6445 211529 305527 235185 111881 465226 1188412 254884 1638296 1234968 1473572 571104 1755742 277910 399039 339955 1076691 312037 276661 393652 290708 277552 226689 372507 300302 300969 247386 420617 268238 65299 94010 66562 303688 242620 210142 375596 121528 120308 201062 314815 304105 321258 128326 161488 261534 431668 196270 266363 322118 173671 346507 335929 237728 1-Methylguanine 25947 40824 27364 60521 60190 27725 61121 63203 25135 60761 60624 58627 26759 56934 57796 25149 27089 26395 26858 26455 23430 25565 25885 24701 25572 25873 25979 84528 24688 26392 84773 93943 90892 88402 81133 77102 81284 26957 74294 26058 29098 48717 38284 27019 39126 27491 42323 25804 40397 46660 25056 57523 54758 58353 60398 58300 58204 51849 57291 26937 26922 61099 26301 83881 34659 78569 41842 38662 17851 17975 17883 36963 42886 27798 43893 26189 26680 37923 21915 24209 18048 18004 24263 17309 23540 22377 24063 24167 23130 17175 16605 17260 16611 16388 16585 16266 16325 16720 16967 16401 16943 102977 102130 84332 17054 47319 30451 87659 88402 45191 17868 16587 99525 16492 26282 16540 15922 33215 26124 16482 24389 17414 16101 35598 33545 191033 195585 246216 72183 69187 246258 191401 8295 7629 246451 7751 71476 10795 26145 7593 39600 29107 40636 13965 39905 7012 11715 8091 31124 7591 7886 7719 7386 7523 8067 7971 7668 7517 7820 7494 7058 23557 21865 36750 19675 19805 31273 8531 34762 21197 19989 8672 8827 23776 72858 67563 115016 8707 125730 118231 8960 70304 30237 8674 25714 7-Methylguanine 97607 92243 103640 98324 93742 79622 85723 81916 74794 75359 74993 63802 70079 62545 61550 57701 59169 56144 54833 53990 42367 47231 48433 41949 43713 37629 44865 44503 35621 42152 50156 53475 50555 48986 44863 45138 41407 45021 45966 47564 45243 52105 49758 43204 46056 38480 49422 49960 51010 53013 42666 52519 40803 55458 50755 50371 56234 36944 50923 44065 41652 54877 44832 47126 47248 43603 192517 186088 176866 175819 171015 177687 188110 173779 186730 172434 167292 170998 163852 168767 164712 159211 163134 160792 159569 156025 161357 155320 156078 155069 157473 161011 156123 153452 154476 149619 148815 146398 146507 144622 147615 145879 149807 138329 140312 144800 146539 138906 138320 145641 142670 143419 154147 137175 140858 144310 138950 148399 140573 136106 140352 133919 134524 146851 148943 81500 88567 90610 76773 77359 94072 85046 78152 77499 96284 80806 79794 81035 89592 85767 101347 93137 104117 87323 99150 85637 92500 85894 96645 88056 91636 89140 90094 90324 92750 91858 85738 88382 88269 81851 82171 83445 85967 93866 83794 84099 87966 80339 88071 82396 80003 79221 78841 77974 113254 110936 139233 79086 148979 144302 81767 111662 89268 86645 93834 Deoxyinosine 1102 369 1691 289 208 4008 242 229 3700 271 52 331 4327 147 285 3415 3184 2877 3640 2941 2586 2910 2817 2422 3237 2899 2709 108 2635 3736 82 42 500 194 856 1168 920 3609 168 3603 11229 22206 22576 12895 22525 12393 18366 3541 24000 22928 2490 378 250 98 766 262 250 328 183 4040 4161 316 3968 38 151 28 37 201 87 368 322 475 81 130 45 103 110 98 66 100 78 410 2570 188 2439 2230 2670 982 2587 259 116 2802 118 165 216 36 173 50 276 145 164 65 32 86 161 133 231 177 150 257 98 280 Deoxyadenosine 594 263 502 8447 3445 1849250 1326 1905 1721340 8707 1081 5607 1818351 1104 1511 1915840 1999027 1987445 1953638 1929523 1852650 1802495 1853030 1800014 1859072 1893524 1887280 2937 1589696 1640152 3811 13618 14687 12446 51860 40383 59840 1591329 2810 1692544 1417015 141438 341329 1303074 250364 1303940 240195 1801542 290108 153131 1697414 2474 1457 1444 1743 1402 2213 1666 1808 1555024 1590798 2135 1543733 2298 1796 1990 5957 7045 431741 439775 430381 5661 4667 6847 4213 7126 6474 6925 4556 1222 412177 430908 526 422585 1381 3890 1079 982 1636 417656 422556 431493 412597 413253 421039 415274 418742 407037 413555 409081 422556 177253 160294 13186 403685 17489 39324 20855 29630 20617 412440 418652 196235 441520 616336 427348 417138 585351 615046 421194 694621 525937 428063 650403 589143 2282 1807 1070 11158 11512 858 2247 196815 194383 901 202460 10138 224780 557852 189854 544169 669796 584323 310060 475090 190500 240313 192387 750375 195363 192185 203165 190103 209157 217635 202040 196856 198698 198368 201733 198347 18 61 1767 1690 109 164020 5 43 2288 169722 168694 60578 70 15 46 176136 202 68 179547 31 8076 203768 81854 3',5' cyclic AMP 115024 119802 116845 93622 99532 93672 94781 96521 89391 96060 97653 94352 95717 91416 96293 86411 88065 86429 86291 87541 83913 84519 89597 87007 89287 87193 91910 93769 88209 89745 96446 96962 98162 95245 97970 96459 92832 94826 98610 93979 96453 96989 99409 97135 96247 94431 89851 95768 98929 100461 100542 104580 102162 105297 102363 101174 104024 98502 100206 92628 94284 101586 98135 719900 537259 658934 340851 354864 338362 346552 335866 347085 348593 346188 337465 348507 336421 335420 347239 350507 347124 339628 329383 345069 339549 345066 340840 347323 331024 343371 329693 344097 347658 347870 341708 337167 340488 334540 341604 335748 329554 373830 371394 365585 334885 336454 340652 360622 376511 337400 340435 344561 368912 350392 360011 336529 348664 359488 352675 335878 343096 341197 351287 338103 347100 196546 200864 173292 185139 191101 160120 205164 188024 182110 160722 174148 187532 184473 170216 188424 162898 175840 170714 172239 150098 179093 179739 177168 178055 175348 179123 184118 173874 175099 194446 179029 181827 181357 186118 168350 180433 174020 177402 181329 186786 178107 178605 176305 184610 181568 173186 176947 178890 174716 184660 186325 186644 174659 188978 185748 172613 179986 172998 173421 179123 Adenosine 90422 20569 64494 375363 9311 11085313 7919 9443 10244446 553539 5714 391028 10967297 8286 9628 12079025 12085150 12095809 12135657 12148813 11548031 12189883 12408018 12021038 12291731 12278445 12271027 205120 10876137 11837705 258150 275751 381079 256515 253885 229342 236702 11506195 204590 12001754 4592202 123621 305481 6990147 274540 6593405 249526 12414788 299146 121752 12091719 80972 19109 15932 35089 19534 57705 31273 55761 10442098 10034871 33500 10126381 448224 559122 580068 1200898 698138 20699804 20722424 19319508 492872 1083557 257222 850682 345806 309125 643960 603544 74287 20312607 19982762 238342 19747079 403004 376023 213466 291763 355244 20139248 19815657 20226159 19873672 19801641 20139496 19552678 19833103 19327724 19045699 19414581 19576325 7052388 7175446 773702 19461993 1110851 1644848 947792 1075020 1317372 19128456 19863608 8000984 12805299 53007 20731061 20191591 21440 37846 20439197 300558 11062096 13767114 22643 18608 344433 353416 229993 612457 620158 216515 325453 20193754 19937183 224803 19885011 635005 10318049 12582 20788757 9127 12865 8300 5826780 8194 20125884 10122336 19741642 11539 20293340 20799121 20436761 19684080 20559152 22286058 20183197 20420713 21007150 20013157 19948546 20060079 48165 28667 9234 181869 125473 7346 17848758 7951 22578 177004 18273104 18809197 2318684 7824 7053 8361 19126344 28332 7917 18861682 8024 1390092 18995559 2777181 Inosine 10746 2107 2295 4950 356 411100 308 373 403168 7823 786 4943 399419 765 1440 367162 363913 364074 363218 362176 352710 355566 355494 348487 360904 349015 365421 9952 360472 408253 9662 15488 23535 19568 23693 19993 20503 417390 10298 363223 271913 201435 273080 363558 205043 342878 270104 385570 225472 216230 372638 135 26 65 121 94 148 216 104 369955 371424 559 374259 19360 3613 15665 15411 6086 132179 132851 127536 3800 8117 1843 7924 2559 2130 5569 7424 4297 193851 226966 37835 206903 21276 5445 24002 15704 18449 121696 117888 122552 111933 116057 119171 117848 114972 115854 117768 119538 114701 293565 366347 2878 278777 8219 239086 5960 7393 11339 301814 260676 450933 99156 956 128361 124507 234 502 128553 7948 103657 103982 317 388 12182 12644 8422 28410 31383 8400 13986 413917 418218 8479 420739 29523 189092 228 311650 13 443 178 117977 326 323994 197204 322033 88 322648 328289 329168 324926 332317 350257 325833 325152 322800 331596 324161 324502 9155 13652 1077 30032 27671 1012 593122 833 12116 36474 570319 517834 14493 655 242 299 334241 247 46 341593 217 7904 337333 19312 Guanosine 1346 894 1093 2875 1074 622445 1156 1836 563066 3283 1330 2107 622744 1916 1503 627614 666625 643439 661315 635301 568898 614399 653698 579678 611448 618991 623029 16303 583964 598245 21224 9160 15730 13134 80757 71298 78449 630687 16381 637257 272421 306807 378165 382811 288109 361345 385805 670900 307020 311255 615558 1188 85 106 80 137 976 91 1001 575018 552610 81 523603 29271 30398 24813 48754 21562 642081 626015 598793 14291 41373 2662 34735 2877 2848 19870 1067 6048 628104 619532 29670 608957 7000 1358 17144 4490 6168 620531 609672 622903 602592 601942 620497 625260 612316 596508 608378 611807 606809 1525838 1750328 81688 643601 28487 207188 89860 126341 32533 613577 620603 1909662 475369 11180 637130 636994 649 8556 633177 41880 461920 495228 1552 985 85304 82167 77976 110640 121557 80746 94691 824331 822511 71333 821420 117866 462570 83 890104 216 169 184 278590 103 875260 495720 897598 221 892305 920346 937344 911584 916317 1035249 895442 922953 934073 902985 883528 867383 7531 8813 2935 4691 4562 2452 805597 3188 7111 6435 775847 824922 22132 5978 6067 2773 857344 4657 2698 856115 4754 11867 879712 27664 Xanthosine 1246 711 890 840 363 9318 1074 601 10361 763 886 1047 9299 622 657 9489 9491 8879 8765 9348 9079 9210 9316 9398 9303 9807 9507 972 10103 8852 1097 1015 1357 1662 2145 2404 2483 9597 1089 10483 9481 8395 9330 11148 8778 9809 9463 10392 8645 8548 10505 871 898 893 797 726 707 880 1049 10709 11224 916 12116 4256 4582 1469 25562 28706 49739 49030 50481 27317 26142 21470 26598 20435 21793 27805 18802 20615 49637 47902 19880 48011 17207 18553 19396 18499 17046 47108 45020 46654 48655 43903 44718 45213 46375 46249 45891 44774 43426 25459 26417 16248 44794 18630 74025 16325 16301 20122 43932 45621 28182 44778 21361 46368 45816 10745 20876 46540 27572 42592 43236 11163 10862 3079 2323 827 3983 4700 572 2491 132864 127120 1191 129069 3991 122557 6039 140073 1096 12755 927 109100 383 140872 123409 138216 16492 147179 150323 156204 154478 154269 168589 146629 149592 157240 149327 141061 137791 812 947 1077 265 620 1373 135794 1390 560 264 131983 136698 100553 536 395 238 138962 664 371 148028 889 3701 145830 121619 5'-Methylthioadenosine 11815 10460 14738 7 32534 28922 31 28115 50 30229 26723 33355 31619 35147 30475 30253 32891 26120 31718 30650 32041 25283 25680 96 54 22 458 25700 252 29386 66 57 66 281 26496 20 151 29928 4510 16587 19346 18673 4322 16 5141 28379 32565 66 35289 633 179 498 1476 2346 3286218 3614961 3080540 3019 2455 5468 4117 8950 10517 4472 6639 484 3531688 3465031 6 3536658 1301 36898 649 738 1084 3611034 3545740 3678347 3648088 3502807 3720084 3606862 3648986 3588880 3554438 3442742 3597731 183 37 86 3343918 210 357 162 3060735 2961492 290 569633 307 2955659 2865664 9 280 2767654 601 284409 600137 3 15741 14450 19801 11365 11748 15701 15445 5398209 5168692 14388 4897736 14435 44697 3377 4767372 170 524 354 5141 557 4277577 30669 4246385 1011 4205540 4183808 4280418 4069383 4166297 4334576 4022259 4079845 4037765 3959553 3811466 4027867 10811 8601 6147 2756 3563 6903 3420699 6817 7376 3326 3371225 3491692 32793 18606 20145 19972 3059323 23732 26083 3010221 21017 16257 3060149 33403 1-Methylguanosine 33139 41707 21833 47234 73542 41184 70966 62157 34557 53463 64835 45749 41670 59019 63369 29310 32611 30147 38396 31155 29453 34165 31985 33523 35216 35563 30948 185221 32200 40309 186271 162599 164892 162262 181645 167141 173860 38199 188614 37404 55841 60676 64846 55957 62904 55917 59997 32526 66312 64177 38647 91775 75456 76050 91802 76670 79965 81598 88364 38687 32304 77449 35960 15552 20906 9636 52901 51849 37279 34198 35136 52299 55307 57522 54708 67601 68504 51494 59809 40151 33915 30921 41248 30716 39669 57152 41534 41444 39967 29898 30747 31348 30323 29567 29412 29713 30313 29052 28685 29524 28235 135459 141544 142025 31547 85879 94685 139285 138908 92042 33038 35558 130581 35895 43479 34495 30312 43255 44785 31440 43949 34281 37725 44554 45548 247638 262548 334169 79578 76729 316456 245753 21612 22299 325014 23457 82272 26599 47387 19476 49701 51558 52651 29881 49128 17522 28042 19176 48791 20105 17162 17004 20134 16299 19443 17867 20582 19004 20680 18781 18639 18712 17358 18018 41490 39308 19725 21155 20201 18449 39035 19161 17975 48870 40993 38994 56323 19872 64446 58605 20399 37196 52949 20636 47953 2-Methylguanosine 2414 2865 2245 29 95 14126 63 70 12536 34 68 13495 1 13934 15164 13648 14270 14024 11978 13211 13506 12696 13245 13098 13007 309 12108 11874 331 213 197 76 1167 1236 1005 12404 117 14369 11547 13970 14033 12016 12353 11221 14477 14819 13522 14000 12418 397 469 289 1988 451 691 1397 522 13109 12415 2892 12351 1956 2130 1071 55 109 3125 2775 3733 171 6 53 8 91 146 152 51 2682 3162 126 3099 2353 2766 2466 2673 2854 2819 2302 3198 3388 2350 2612 2545 17872 20824 421 2570 484 21081 1217 1592 1849 2529 3083 20846 3284 414 2626 2850 63 62 2914 1202 3753 3579 236 89 2782 2332 1580 1107 1095 1880 2231 4858 4319 1822 5345 1179 5507 373 5520 155 213 53 4736 64 4930 5384 5411 302 5344 5316 5193 4507 4694 6102 4573 5295 4557 5755 5073 4925 87 41 117 96 103 43 4842 35 34 4764 4299 1279 50 141 76 4931 121 5262 445 5335 1339 N2,N2-Dimethylguanosine 57559 68862 73029 47211 38744 46247 42676 38388 46314 49964 41606 49257 47862 34955 38415 42474 45630 44874 46598 44796 40420 42505 44237 41145 45779 45473 46621 25008 41702 42921 29126 52180 48188 45518 27120 24776 27954 42895 27676 46983 38271 29889 30984 40468 28038 41349 29818 44902 31559 30681 44276 27483 23737 26086 41250 27810 29026 30313 28677 45399 44767 43991 41970 633 539 34 7878 13332 16474 15549 17275 12415 7677 14578 7836 15446 14621 11679 16889 8206 16089 17027 10005 15568 10714 14397 8518 9110 9339 14453 14890 14554 14941 14582 15162 14741 16096 14733 14162 14541 15344 74737 73902 53933 14743 62605 63304 57281 56621 65096 15062 14823 74309 14233 10397 15240 14855 7625 9708 14030 10628 13137 13492 7816 7110 108840 106781 85397 47218 46706 80899 107656 11364 11744 85974 10965 56022 13532 5900 13212 2929 6201 3417 11407 1673 12781 15057 13963 7695 13730 14965 14181 13690 15372 16795 13263 13531 14052 14325 12431 12728 848 1136 304 8071 7822 262 11901 235 882 7812 12301 10696 12638 1599 1787 225 12080 160 149 12519 1542 12389 14457 14213 Xanthine 36448 40605 36548 23933 25927 23505 23926 24484 21322 24197 25161 24153 23562 23850 23745 21964 22963 22641 23436 23581 22489 23512 23691 23489 24147 23512 23767 20993 21303 22240 20361 23431 23303 23116 20917 20592 20359 22632 20746 21642 919 867 973 860 742 873 928 22060 821 628 22830 970 893 1096 2255 1213 952 1461 856 21498 21932 1927 22409 6984 2073 10074 42622 42462 78726 78905 75289 40505 42294 42590 42600 43987 41826 39419 78525 79568 77972 76192 76857 74569 77016 78825 77468 76782 76518 78264 73856 74364 77310 74924 75676 74488 76998 73928 72243 75710 74836 73005 70410 74442 76546 74994 72025 74245 75890 73242 74743 74488 74365 44187 39028 75834 76060 41419 39052 76489 32737 34787 46176 33946 39645 59324 59572 61230 57066 59170 58987 60499 64011 64801 57334 61462 60337 27 26 61867 87 34 219 39 61806 71 62236 95 64506 67654 66365 63255 66029 69415 64105 63898 65856 64314 62026 60156 62951 61501 65952 63969 60894 62802 57712 65391 60187 58937 57500 60221 31035 222 634 623 58362 354 613 59123 861 18640 59328 32557 Uric acid 784 703 914 556 891 589 773 894 672 742 917 816 675 916 878 779 885 774 913 1041 889 779 923 931 890 927 1331 839 1175 734 988 803 1075 799 1081 845 1077 968 1009 1269 1018 949 1069 649 960 809 909 1437 691 922 845 727 902 532 654 440 680 452 465 769 775 748 749 864 811 1216 22894 23597 19813 18704 18961 21521 22603 20573 22448 20113 20006 20925 20249 20341 18746 18214 19926 17980 17979 18664 19474 18626 18095 17847 17342 18306 18493 17743 17298 16670 17907 17142 16704 16995 16696 17015 15506 17447 16141 17514 17353 16850 16904 17676 17139 17412 17985 17915 19273 17933 16747 19901 18535 17968 19038 18408 18754 19296 19560 24 26 49 30 54 31 68 39 62 29 79 39 176 86 65 29 34 40 70 68 43 76 90 29 32 75 102 63 30 38 34 33 93 41 84 34 44 FAPy-adenine 5663 5523 5203 5283 5412 5430 5163 5622 4830 5225 5015 4784 5269 4524 4506 4843 4611 5238 4827 4906 4633 5042 4481 4606 4998 5066 4991 4539 5028 4751 5128 4764 4846 4997 5321 4893 5241 5327 5045 5285 4968 5536 5013 5652 4604 5816 5228 5838 4658 5742 5838 5397 5396 5372 5501 5700 5878 4933 5398 5627 5199 4959 5303 5502 4646 5456 19792 19507 19346 19774 18997 18774 17989 19732 18763 17668 18670 18850 18207 18876 19634 17326 18877 17766 17964 18017 19434 18873 18219 19545 18196 19289 19032 18801 19881 18179 18159 18122 18391 19549 19064 19310 18780 17912 19210 19949 18813 18694 18660 20154 18400 18322 20870 19234 20955 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2683555 2252611 2239496 2876421 2640892 2302601 2582204 2342906 2418895 2834822 2796996 2644566 2591503 2762617 1926207 1990566 2581101 2641373 1823663 1875800 2691526 1852793 2109445 2152702 2361104 1898035 2390629 2234116 2294879 1884392 2458024 1905003 2056458 1716927 2298260 1731419 1703859 1690703 1621354 1739106 2095817 1766699 1675299 1747126 1564472 1624247 1707368 1761791 1981196 2029255 1736779 1592113 1971324 1545174 2077999 1812229 1572437 1504851 1633854 1866752 2153124 2082306 2374845 1658828 2326521 2263616 1725104 2030584 1812268 1730209 1514956 N-Acetylserine 25695 27408 27029 21297 21477 17674 22050 20833 16427 19495 21866 20810 17550 20658 21455 16403 17383 17123 17183 18404 17588 18114 18270 17709 17805 17809 17826 20214 15212 17107 20365 21606 20555 19754 19523 19295 19834 17269 20414 17195 18071 18760 18717 19429 17423 18452 18452 17863 18322 19538 17551 14215 13304 15201 16501 14379 16382 16295 16019 17172 16869 18610 17216 20898 15250 18307 12414 12713 29117 28655 27717 12660 12705 25449 12342 26268 24604 11631 29703 31550 27694 26232 29666 26983 29299 29194 29844 29105 28712 26451 26038 27222 25751 26160 25749 25260 26109 25565 25723 25753 25364 31949 33202 27970 26060 28229 27812 27820 28155 27399 25616 24971 33915 25884 24745 26162 25154 26222 25701 25965 25269 24697 25346 26394 26174 9374 9595 11693 7333 7457 12291 8810 7764 7116 11678 7431 7159 7270 7859 7743 8659 8224 8552 7903 9664 8020 8555 8075 8315 6673 8014 7786 7606 7364 8137 7718 6672 7496 7392 7250 6884 7893 8143 6790 9560 9383 6736 7753 6766 8481 8825 7803 7485 5332 6925 8029 8423 7450 8663 8786 7633 7611 5520 7657 6385 Glutamic acid 400034 455188 430191 364809 361095 378967 346515 355899 352543 370950 364823 357773 396916 362639 357675 392577 396185 391789 404972 395743 380305 393776 397131 391389 393252 399774 395218 432544 376969 394722 417780 386466 381368 386784 469371 445401 445624 384925 437165 377012 349010 616395 604573 342772 570365 352416 645630 392580 587344 648427 412253 606139 600579 601324 512639 593901 608719 499534 606298 410725 421369 520350 423158 81272 20183 52146 957352 939420 846825 845549 804598 923235 941350 883846 953371 875729 863297 909723 816582 839379 831798 811403 841851 821114 815065 829938 854170 827595 828028 848256 813544 851053 835923 828623 853495 822215 858357 823665 845955 849774 847803 924145 941451 882522 866324 838115 851072 880371 886179 830972 840322 844728 919232 833795 903952 840975 832182 959823 868683 816165 851033 790407 799292 943162 917414 244352 244501 285833 196425 215429 293449 241497 195625 192736 278347 192177 219989 208786 214358 198573 229069 217945 229396 174883 251505 207435 190634 184766 216539 187272 189231 193645 181614 185581 210733 194295 193323 192499 187585 185392 198148 194869 201833 206198 188186 179706 221257 179788 221499 196318 184592 179896 187759 212601 274688 270389 300850 197583 297605 297759 191171 263241 215447 191623 199980 O-Ethylhomoserine 7255 7387 6442 15509 16747 16943 16832 17071 15968 16765 17298 16548 16571 16190 16489 16550 16948 17058 17108 17066 16325 16746 16293 16483 17232 17412 17499 17106 15676 15551 16929 16653 17023 17107 16178 17242 16135 16230 16425 15826 16308 20287 18513 21126 20103 19144 17769 17406 21519 21681 16757 22428 20619 22126 20989 22006 21664 20767 20924 17096 16638 21230 18011 19263 16630 19252 63489 66115 64808 67817 61155 63777 65769 63656 64959 65466 64563 62092 64772 62162 66220 61753 57529 62155 62142 63559 60277 62200 61060 63501 62103 61408 61515 62363 61399 57344 59435 58094 58756 60351 58397 53651 54931 53811 62593 59677 60342 55070 56350 62618 62137 62655 58033 67822 72375 65988 65022 72896 70969 66541 67955 66296 70276 69404 72481 31643 31849 33829 29328 29802 33178 30244 28983 29688 34550 28874 29181 29404 34715 28923 32839 32738 31689 31650 32491 26002 29529 27708 31839 28397 27756 28481 28024 30636 31049 27650 27912 29732 28985 27752 28097 31461 32763 33086 32637 30027 32779 28085 31288 31730 30550 27481 27386 29258 35118 36273 37590 27097 37503 37289 26891 37063 28233 27470 27339 Methionine 107850 36613 136510 1084437 1130661 1116246 1126639 1139317 1030514 1088683 1131202 1065035 1103253 1088094 1084411 1016148 1064849 1013583 1051047 1061151 985600 1020879 1045326 1028222 1020329 1007828 1040786 1107672 999751 1028412 1061658 1114132 1088552 1125325 1159497 1099722 1142545 1064529 1146724 1058903 1099631 1227038 1188441 1112146 1198811 1120820 1195801 1065192 1200542 1223760 1131377 1130151 1115588 1093125 1088061 1112556 1140517 1014349 1107056 1056657 1037155 1062483 1071075 926012 725858 929750 2297521 2278658 2236611 2181844 2134913 2262735 2338050 2201900 2316169 2178191 2184321 2237443 2145192 2165306 2168048 2108633 2287351 2137897 2171841 2115440 2241987 2155320 2115770 2083585 2105030 2139951 2177307 2170758 2176494 2157919 2143777 2120925 2184147 2172111 2168035 2482975 2467502 2341764 2245881 2248146 2256810 2305476 2343602 2148244 2201573 2142560 2509584 2247461 2352807 2186207 2139212 2441923 2305585 2198599 2282016 2168213 2163352 2413724 2396319 2054872 2035086 2257030 1642200 1680379 2177751 1956096 1548276 1535732 2208738 1579035 1675771 1646196 1852801 1604823 1877750 1861699 1990291 1691650 2185066 1558040 1674005 1604217 1817338 1582509 1583360 1597301 1575641 1594979 1698670 1528880 1552389 1572662 1576931 1492487 1528206 1715286 1656353 1952752 1653555 1553086 1912399 1553851 1879928 1682081 1506675 1499231 1508433 1577778 1680410 1681704 1824845 1550606 1839882 1787841 1494233 1655568 1582428 1546590 1613046 Histidine 1263924 1251133 1386357 317607 310671 295747 316586 313112 252428 316537 319830 296504 294595 317781 314121 281924 295632 284021 288880 288995 281189 285509 295476 293108 298005 290664 305418 401599 276128 287761 381172 341094 338560 336439 456509 430619 427699 287098 418318 289587 338239 442538 442690 335691 408329 347260 462743 293511 431406 453542 300756 367504 346339 362736 349990 357903 373709 327408 349871 294480 287371 338281 295990 276768 274402 307973 937517 966826 913128 931666 829828 914606 935965 916344 939177 924805 900074 912047 923053 914822 909710 880336 927121 856339 893510 898638 914307 878278 889799 862465 824411 861895 855556 844851 860825 838409 856371 821539 842229 830920 833774 914038 925405 916779 857660 904466 919019 888743 938639 916982 832590 846655 937379 888712 925960 871801 850942 938284 910800 873534 909353 872848 888564 930529 917478 807761 786954 771883 589426 613854 703959 802319 384950 395441 828529 392734 643270 447462 467092 412271 476484 461364 473753 395921 512650 425050 425832 378845 457467 370739 377896 373506 347629 380823 457868 384087 364678 380754 342627 350880 369275 396300 424616 475082 375773 348349 444687 332131 487483 401187 343974 319663 355307 425960 512552 499992 577608 358121 535550 542344 357688 490871 414381 364561 333068 N-Acetylvaline 16624948 13920972 17218209 771070 808108 762908 775403 807004 699296 744385 779190 739529 738241 740328 711119 645882 781094 697603 703764 706128 636879 757986 762928 777860 649347 710883 758366 639350 694768 667728 668047 729374 740789 723071 673871 640496 633244 721370 666718 665620 705274 854311 757064 730357 736334 708149 840630 747661 857747 803770 822902 960147 835365 1057137 881899 973315 1040652 866807 967816 701563 768877 886592 777086 1011461 764572 933116 38184048 39182760 37488893 38010411 34592433 36226475 37499739 35743778 36541374 35739932 35644904 34772905 34504146 34568963 35315156 33675746 34481591 34016952 33586936 35760355 35502830 34840772 34040781 35936030 34217523 34272233 34666812 34547480 35944506 34976938 35098136 35175410 35253815 35662943 34904451 34313866 34217753 34507044 35916534 35540754 35357323 34391237 35987778 34921908 34762677 33483311 35287302 34889868 35382490 33384485 33269088 36656579 35499278 32818567 34688251 32828834 34058174 36674306 36352443 1365426 1229206 1324047 1234134 1173033 1210840 1305216 1006206 1034493 1183853 953414 1219197 1107589 1635591 1038709 1777340 1570739 1961693 991746 2001678 853443 1059726 1074950 1395755 919364 911129 922074 868258 978689 901197 898321 816208 824526 941161 840621 1017223 1105773 1049123 1160730 1053284 989348 1085461 922282 1014022 1083772 1059220 991297 839283 902272 1126530 1150532 1128471 961984 1164429 1128206 837756 1053126 1008508 952824 1009649 N(6)-Methyllysine 8490 8992 9648 4959 5521 4902 5097 5012 4300 5245 5287 5027 5072 4954 5262 4779 4673 4774 4618 4931 4546 4880 4985 4919 4841 4221 4653 5384 4581 4613 5219 5241 5190 5294 5319 5550 5224 4488 5280 4883 4740 5352 5223 4966 5378 5127 5197 4922 5214 5452 4921 6003 5640 5664 5476 5700 5873 5096 5451 4407 4342 5240 4589 4960 4745 4930 17963 19113 17822 17321 16393 18625 18254 18375 18560 19024 17887 18242 17759 18280 17948 16869 18371 17049 17241 16897 17936 17271 16545 16894 15947 16630 17131 16335 16055 15764 15707 14790 15243 15120 15491 17452 17458 17307 15774 15956 16362 16853 17647 16401 16200 15956 18698 16557 16437 16810 16798 18310 17110 16774 16839 16169 17162 17263 17387 10006 9171 9824 8302 8400 8765 10118 7746 7580 8915 7270 9546 8335 8120 8098 7780 7947 7145 6897 8263 8418 8030 6602 7240 7011 6546 6726 6312 6500 8071 6964 6694 6619 6357 6181 6498 6416 7001 5961 5977 5511 5878 5550 7106 5627 6153 5531 5995 6805 7976 6392 8020 6686 7506 7489 6095 7167 6151 6457 5026 5-Hydroxylysine 74240 73275 84997 27780 27251 24696 27816 27514 16768 25845 26808 22762 23065 25876 25224 23798 25542 24443 25997 23701 22246 23766 24058 24167 25541 24248 24844 23768 19631 20098 21521 24020 23651 22293 23339 22934 21886 21219 23417 22293 22335 26057 27292 24704 23255 24745 25721 21868 26194 26168 23583 34704 32357 34209 30643 33452 35027 26627 32938 22191 21840 30384 23089 18815 19282 16360 17458 19183 15566 15360 13051 16587 17170 16328 17510 15568 15037 14631 14373 13921 13661 12774 14245 12459 13139 13497 13673 12912 13487 13596 11843 12711 12861 12503 12233 11894 12834 11537 12084 12106 11953 12153 12261 11728 12536 10945 12458 11940 13023 12694 12315 11750 13473 14105 14481 13665 13259 15295 14644 13211 14605 13930 14201 15655 14805 72 30 74 67 50 44 80 36 80 73 36 45 N-Acetylcysteine 449562 567932 433183 5792 101772 25612 105629 87962 14809 17422 111945 26989 44198 97543 114112 4856 20029 19164 11813 19163 4065 11478 8827 9565 11464 8445 10954 37758 25596 10505 32816 31453 24750 23847 38263 40638 57055 30693 58542 9827 30507 109294 96241 49533 87947 46324 56060 24654 91893 103869 13207 189490 210531 207720 111371 176113 220302 89824 204177 11979 14410 120219 22699 4601 7898 16273 775512 535453 150763 110728 104586 542729 840209 285048 786485 221453 287172 596428 116201 197065 129716 174887 196360 167903 181420 138191 203890 202503 165544 96362 89878 63096 86404 103604 135508 77442 89679 88886 103772 103099 103337 127579 175583 142745 118069 165819 160574 145780 170154 145352 91798 138594 94061 142937 155612 119047 90841 186744 163901 103422 151112 102769 112225 172808 178999 168422 99239 138921 99428 121083 163966 105867 115977 99123 161633 13799 166759 105938 94679 55480 57160 91808 113478 54859 56779 37729 125300 29470 113897 40065 33890 28160 46935 54838 71053 52439 28147 65925 78588 54508 53898 157885 169493 152318 88620 72079 157605 61680 168542 171638 115262 93062 36266 123441 244503 195184 483520 35728 473190 472145 42144 247460 119595 121722 124566 Methionine sulfoxide 229385 241996 223470 286875 247472 312892 237083 245050 288225 274265 238246 269553 306016 236896 235290 308511 312872 305465 308742 314773 305216 310396 315175 307200 315555 319397 309895 305122 306794 307238 299849 301144 301113 309287 306501 318782 307446 316577 312496 314156 323149 344748 329132 326575 334577 323444 328239 301946 345621 349264 314118 405200 389384 403320 445001 392577 391468 428013 382160 330410 329429 436758 345167 9112 6480 5268 345672 386006 355760 358305 345995 375051 340315 438695 350355 430182 416860 372574 313118 316127 336813 328832 312132 325391 294787 321641 310455 299809 294225 329878 329752 330850 332336 323067 314964 312963 312754 316971 321557 327227 322361 347165 330014 307823 330845 311208 322798 332813 326213 331771 327434 333347 347095 334369 356043 340495 334241 381333 354685 338152 326199 329317 339179 373342 373925 281564 268432 303242 245049 250952 283885 278683 265561 265560 291289 250074 275736 267673 290531 220118 236997 223164 239278 238023 255738 230289 232940 233527 242040 222458 223829 235258 233139 248333 266063 232955 252173 242178 238127 231240 241372 203687 213954 229737 209747 191834 216105 235185 226394 201115 200818 231123 235785 266000 325786 340095 284245 272730 310644 298327 261455 337490 274113 276846 246768 Phenylalanine 40459552 21540762 42488194 1678844142 1733450216 1701025113 1709496425 1720655729 1647832757 1716356376 1714678662 1609198349 1716429922 1677880683 1668687130 1582323953 1663082138 1601107562 1622128283 1626439851 1557154968 1547544083 1620103462 1593515823 1628318879 1620843040 1656122268 1684654388 1562604277 1606304920 1701910264 1699298309 1696979921 1666245954 1754437989 1689301277 1717751732 1692036083 1734803435 1675554490 1655692314 1744560808 1649643680 1686551389 1672981229 1684946095 1681440996 1685274895 1758339453 1750102388 1662890767 1814578932 1808965327 1810312099 1741026303 1774819144 1789714859 1669907289 1794622107 1614400945 1631459966 1736610447 1680884005 1740410939 1445505168 1667803168 2750311047 2714997156 2556147199 2590772013 2461942208 2615415802 2741160190 2572878050 2761702755 2578206367 2529813160 2647752292 2490783295 2579170297 2506825246 2462720088 2584723516 2424748633 2495392290 2490420812 2537544642 2490519235 2436933893 2495965868 2405143140 2472854642 2478833886 2445235728 2458250711 2391915176 2485985459 2359707557 2421449747 2363963564 2406538948 2620962041 2646561986 2498095433 2505887043 2502767363 2479826700 2563865353 2617314774 2457273751 2487978164 2444858514 2724085174 2501296599 2615341089 2525850446 2473263214 2724048665 2639642229 2494157130 2611786686 2438795591 2578403991 2604251292 2650129955 2361919542 2430815995 2497015953 2241867061 2198924689 2508016396 2361978927 2156021192 2116681957 2466703719 2127114726 2252595115 2205584567 2237936766 2176233432 2284832536 2267176557 2283873483 2197587390 2332611145 2117287302 2198121226 2153491003 2249501505 2132155096 2170393365 2139421046 2113543276 2126704936 2254207790 2105634472 2155779359 2161657393 2127508308 2072659109 2125036143 2253564864 2311793042 2426740544 2275831304 2204203997 2439326673 2160387540 2436989447 2268931864 2185018211 2106657048 2179882816 2171758478 2457403610 2428431871 2540781551 2140211736 2548370291 2520404655 2098112644 2469539829 2300525553 2149787695 2238851661 3-Methylhistidine 117003 110525 125218 25207 25446 22873 25479 25642 20225 25112 26509 25026 23251 25646 25473 22979 23713 22611 22736 21858 23868 23474 24117 23390 21741 23866 24476 33437 21891 20490 32947 29388 29480 29729 35478 35265 32060 22881 34358 22741 25432 34782 32843 25321 31173 27000 36588 23202 33781 35721 23823 41244 37872 41231 35969 40676 41901 32795 38569 22938 23214 34589 22566 32896 31559 30883 106719 106420 100297 99044 94597 103638 105842 102152 104789 100950 102220 101658 99992 104499 95807 95068 104509 94236 99879 99648 104285 100729 100986 97132 97342 97319 96996 96490 97181 95134 98007 96281 96628 97325 93796 111403 109193 104076 98554 99740 99978 102395 105766 99514 93050 96148 111656 98900 101505 99181 96971 105885 101032 99772 99657 99420 101049 104582 102364 16793 15461 18500 14576 15040 17807 16607 10659 11059 16897 10029 15537 12135 12346 10676 13406 12105 12010 11407 14041 12313 11856 10750 12215 9879 9977 9946 9344 10535 12637 9970 9575 9985 9202 9655 9765 11081 11685 11855 10577 10803 11023 9251 10903 11871 9769 9272 9557 10743 14068 13662 16856 9953 15549 15247 9601 12899 9884 9968 8436 N-Acetylleucine 14073 15062 14927 11677 9173 9146 8690 8934 9222 8644 8703 8494 8677 8458 9169 8017 8357 8601 9323 8068 8659 8018 8374 8407 9268 8781 8988 8523 9295 9512 8188 8454 8522 8204 8064 8764 7981 8876 8157 8387 8706 16218 12991 9523 15743 9431 12535 8481 16355 15726 8714 10854 9436 9834 9631 10217 10543 9300 10348 8200 8347 9378 8667 23209 18487 17246 60574 62834 58441 57728 56280 60976 63909 62020 62654 61141 63628 61325 59817 59821 57095 57516 61213 57355 57762 58518 61181 60935 59084 58493 58602 57472 57175 58922 58043 57031 57819 55970 57913 54398 56284 68604 71104 67887 58781 63401 61765 70816 70358 66526 61346 60602 72201 60763 65964 59700 59611 70639 66481 59081 61848 57761 57193 65742 69978 27768 26630 31716 20707 19879 28780 26200 15401 16400 28630 15528 20919 18751 37722 17636 51870 40105 51820 21362 53811 16647 20081 16996 42193 15088 16330 15583 14583 16338 17693 15419 15241 16384 15302 16361 17455 18585 19253 21431 19587 18857 19565 15820 19627 18580 17366 15805 15899 17435 20999 22573 22822 16386 23603 21725 16591 19802 17579 17382 17958 N-Acetylornithine 47751 45796 48425 134437 139534 135019 136259 139465 124548 136378 137856 137379 136339 137577 138133 138428 140285 141372 145057 142437 135748 139117 141120 140514 139776 142283 144263 141386 132178 135990 139667 139362 143443 140021 136995 134863 138760 139787 141065 142641 143972 162850 159535 153051 159626 149469 156371 137941 162950 166123 141555 149837 151408 149572 148743 149484 148507 144676 148479 137766 135752 144646 134554 141504 124480 137332 463066 457611 452445 453254 428480 451096 458294 445840 464032 446821 445330 448869 440502 444221 443473 431357 444518 442039 436148 438142 443832 437811 428009 439407 447879 455291 446358 442030 450211 435481 443300 428465 439885 452650 435442 442505 438893 432375 444605 448042 446080 431483 446534 440504 436164 438881 453179 454127 456578 450402 451331 470022 467282 456736 466323 450887 455184 479244 473817 59526 59634 74118 37744 35633 74198 61403 33975 34538 71854 32830 34491 34270 39271 35723 38080 36339 38209 34127 41233 35089 34609 34772 36926 30352 31994 31543 30612 32686 34765 31260 31195 31781 30846 30689 31804 31861 32239 33169 32361 30916 32744 32922 33255 33002 31953 32094 31925 32288 33196 33824 34816 30855 34372 34698 30925 33507 30398 30028 32468 Arginine 56871 32899 22513 12311100 12482984 11987538 12540276 12665377 9918641 12476684 12843556 11868915 12243429 12763552 12656556 12524162 13138387 13026854 13063168 12952536 12564702 12694493 13125279 12875525 13333075 12761861 13395287 10004580 11349712 11737755 9512696 12666450 12115881 12323742 8710578 8165416 8252975 12113757 10579129 12213870 12338686 13637059 13676265 13076241 13042450 13046438 13507135 12233081 13534475 13823987 12318127 13586959 13208875 13592673 13526516 13743968 14135472 12262356 13756119 12283789 12064446 13079244 12635392 2175405 58127 43673 4453948 4592643 4266788 4370247 3842148 4322233 4463081 4314391 4502727 4413120 4168920 4360747 4302308 4264746 4310531 4152792 4481314 4017484 4193654 4159081 4349958 4054963 4067074 3964418 3781807 3911236 3925563 3860127 3851445 3801123 3885792 3666749 3768108 3763887 3728060 74822 54274 45853 3859367 838959 1822750 44139 38877 1424751 3753413 3848630 55880 4375066 5017183 4029960 4040106 5224186 4905161 4017722 4770529 4334454 4324170 5266982 5128947 472265 297092 218748 172039 154482 86674 99929 5429143 5581055 105352 5451962 178439 6249520 6348526 5594629 6259342 6266782 6294355 5698477 6605144 5770760 6036897 5471898 6398572 5322555 5456766 5424975 5145224 5560523 6465057 5388685 5276989 5466589 5080333 5048381 5266299 5329163 5710090 5733346 5393453 5026620 5759639 4855150 6082521 5423685 4913594 4722325 5106007 5365122 5636743 5535925 6012088 5169707 5829179 5706637 5086457 5461571 5182162 5137161 4717756 N(6),N(6)-Dimethyl-lysine 104453 104106 110182 45595 46206 42754 45733 44796 40578 44464 46014 43855 43286 45104 44836 40643 41532 40045 40378 41175 39872 40464 40527 39525 40627 40786 41228 46372 39759 39072 45271 46054 45499 45676 49116 46871 45577 42938 47511 42587 44359 49159 47162 45197 45882 44983 47231 42373 47483 48302 44171 50059 49836 49857 48116 50398 49366 46869 48664 42373 42253 47275 42811 47250 42430 45453 167033 171729 161211 159327 151116 162700 167665 163657 167037 161264 158790 160177 160323 167160 155873 154938 166418 153191 160055 155436 165381 158764 155461 153923 152191 153855 155237 152834 153693 150254 150441 150571 151111 151967 150386 167544 166928 162186 155771 156337 155156 163525 169361 159549 151732 152507 167405 158371 166488 155308 153526 171002 163779 153535 157485 153802 154337 170107 166210 144838 144154 137323 141008 145412 128782 146010 124894 124983 129029 127376 144427 144657 158039 130417 147567 152994 147504 130832 142052 136171 139539 124600 150114 123627 125218 125581 118814 125466 144055 129186 122739 126433 121089 124194 122172 134257 141614 150395 132625 120712 142301 112356 148262 133924 124689 115030 116265 126390 130825 130102 136837 118447 137856 134086 112470 119432 120400 115357 112364 N-Acetylaspartic acid 215411 191563 226848 17286 20036 14489 19575 17886 17542 17756 21351 17334 16011 18163 20980 16105 15093 15122 13964 14549 14793 15124 13332 14049 14343 14462 14236 33641 16945 16526 30292 29836 27449 32157 30116 32862 29889 16498 27260 17239 26591 38718 38957 40054 33737 38115 39272 19155 36928 39553 18454 24226 20045 22463 20070 25081 24732 21414 26696 17086 18361 23960 18965 23865 28722 22283 22854 23824 19863 20179 16670 19979 23436 18175 21344 19226 18241 19497 16092 17191 17366 15790 15552 17083 14686 17490 16120 15903 14607 18203 17494 18349 17410 18587 19294 17546 16534 18220 18206 16399 19140 17730 18248 16958 18810 22418 20751 20958 19898 23214 18251 17409 18429 33397 33196 20141 19928 31973 32159 19176 36190 31793 28729 34952 32697 5497 5767 5330 5868 5767 5484 5936 1386 1140 5957 1143 6100 6802 4236 1876 3298 3085 2855 6706 3894 1372 6648 1332 3057 782 968 689 841 1187 894 969 777 1132 589 848 682 82 214 167 66 163 697 184 111 63 938 642 882 212 52 939 206 203 839 578 925 596 Citrulline 9311 5430 8987 99382 106150 98627 103228 106110 90667 100536 103371 99847 98329 104044 103347 91007 95322 94830 94752 94836 92675 92982 93598 90160 92246 91949 93519 783200 103100 113373 818539 366424 378690 330188 1198657 1123871 1208194 109976 820595 96948 98784 107670 104252 101701 103235 100849 105418 93731 105236 109363 96615 110253 105054 107407 108132 107788 110491 101815 106631 95294 96731 106046 99429 95940 64007 94732 523947 534378 519097 517687 482855 510120 525535 521040 523349 517258 500125 508028 507429 504169 493097 497728 514364 498963 493564 490055 519799 502053 485640 493221 485144 506497 494978 502467 502288 492176 492831 485460 502180 507480 488137 1408417 1430891 1197574 525052 1255789 1190267 1207958 1290683 1249202 508876 511541 1509198 515310 513322 509087 514655 516580 506018 505911 505663 508989 515774 513884 501682 387729 379848 377315 432866 484278 372187 377947 92575 93488 367889 98142 934094 83331 75966 82360 72764 77932 76491 80966 73234 82825 82862 81802 81124 75459 79245 78922 76808 80998 91106 78987 78266 81211 76263 74993 75796 85866 85330 87908 86747 84047 88226 84355 91486 84717 84169 82631 82381 83957 97833 96357 99905 82613 100200 95065 80994 95901 85100 84281 81214 Tyrosine 13708973 4459101 15141078 263886453 280499634 277112542 278010994 277323973 262999845 276693725 275290832 262293675 277195163 266472787 268657069 263355238 277891857 267189514 266443313 267119594 257759760 259201847 267302832 263825779 268901096 268524036 273278547 269342239 250490933 261221528 269547322 271578576 267755500 272078414 287722222 279537963 277877772 270885947 279430027 274053754 281694135 306913580 301885669 287092506 298460460 280943106 296035660 276157519 303714456 316738109 283182134 302751054 295349873 300087457 296120591 294316629 296428810 273453263 290341156 269262947 276005633 289662842 281754045 292785811 216773952 288450550 782119421 768060611 667982552 676057386 641593470 755891206 780823237 722214889 777362516 726179513 713693123 755131106 664772382 691609618 666510233 643582224 710476032 650000923 654272654 652977551 704830263 668148766 652492547 654561788 639864482 659344275 651361465 660773583 647234502 651632687 648424055 629960285 640763190 646233509 642099894 822726294 815164544 750789511 645205789 676243676 663681481 742523405 765907327 677209468 646195286 653724770 845565860 688495316 832480291 655155785 664335064 884110776 838054272 647732494 796250761 688405984 677868135 872338060 869320316 347470521 362429498 414387728 263435063 265024132 409217074 349860850 226855988 225172989 408527912 224263154 263886008 259830033 343924520 231551893 353666703 332605901 349007736 275664918 389496414 225254288 258658852 235256959 335660097 224832050 231913706 233144993 229601854 230966651 248472665 225403604 229446949 231530810 232302771 221676542 227718372 287171748 270007821 369730132 242147244 236581917 342890291 217140209 356080101 263046124 227854561 214453504 218790704 244583147 287141632 287664588 322017290 222652820 326501822 309420303 220427771 286641520 241740031 224891756 244580343 N-Acetylglutamine 6350 6612 7013 5069 5585 4820 5910 5722 3817 4901 6141 5355 6410 6027 6472 5686 7498 5625 6466 7272 5818 6890 7765 7611 7719 7735 8304 11950 5374 6842 12128 8564 7894 8815 14535 13302 14650 7241 14440 9124 11368 21053 17168 16500 19354 15644 18186 9212 22117 22337 9370 12486 11196 11626 11780 11369 13094 12131 12751 9815 9177 10925 9937 19573 11783 12026 35634 41336 43366 47193 40928 43546 43344 45663 46098 47083 44957 42136 42768 42703 42811 39221 42356 39441 38741 42311 43491 39507 39339 40635 38506 42929 41317 41480 40010 39435 38761 39145 40667 42145 38841 47689 49670 47324 40932 44068 44562 47226 48122 42513 40911 42576 53475 46300 52114 43342 43207 53517 52703 44915 50732 47936 48001 55463 55520 32730 27162 30227 24403 23518 29111 25539 21926 25219 30586 21616 26181 26135 31989 23376 33609 30226 34820 25395 37710 21141 24945 22593 29149 20332 22881 22689 20786 24060 25201 18874 20875 21225 20754 19704 19881 19506 19901 20610 23557 20646 19972 20104 19293 20127 19065 18136 19496 19863 21394 21471 22002 18445 20974 19536 18518 20444 17174 18904 18505 N6-Acetyllysine 309608 296559 327106 94683 102867 96500 100425 101139 92375 96949 101480 100189 97433 99902 100547 95828 97263 97678 97803 95739 94296 96870 96837 96078 95132 96747 95981 100794 93672 94052 101928 99754 102333 99948 98512 100439 102145 94588 101728 97476 104597 135251 124658 105878 133022 101952 124176 95554 130721 135274 96509 124347 124554 125777 116278 124843 123102 111368 121889 96491 95431 113510 94660 98398 86961 89050 406220 391157 350927 351047 342951 382833 406424 373160 402586 364631 358619 380269 344930 346405 340840 335387 347882 343844 343595 340663 355129 346561 341331 344004 349101 350209 350523 349002 353502 345006 343891 341638 350116 355694 341602 364801 362857 349858 350368 351267 359027 345637 358969 345522 342115 342927 371812 358057 411870 349175 348384 439233 414685 348217 395847 354574 356380 434820 445512 153771 152984 160064 129807 127428 161184 154770 123218 126473 159234 124279 132994 140686 375584 123694 492044 351401 491678 148383 542848 123348 135660 125412 355285 119996 128096 125830 124530 128530 134163 124603 123019 125821 121868 122339 121004 126418 125521 141383 126001 120163 134425 123187 145244 122514 121310 120132 122153 128965 170231 166637 186117 123141 187344 181248 122298 169320 130995 124862 131316 Homoarginine 60200 79209 86231 113898 66921 82832 172183 69635 96266 102932 75933 101125 59473 69904 112682 13384 32016 21990 9310 20467 16971 7546 7092 6570 9393 7770 121193 77547 30139 68290 42172 29644 79408 93279 174361 80059 58475 97646 11313 59943 42451 52373 79417 71843 129550 26128 58284 23882 12595 138894 70113 146992 82494 114699 115261 74247 175061 100818 113134 88859 171817 31654 29066 32668 434234 416731 318758 339683 253858 348506 377210 332449 367433 303488 282157 287782 287276 285998 297024 301603 348396 293487 246930 306785 285177 305578 338179 202183 207599 216669 195529 176404 240968 273497 184743 215104 250278 197609 198018 441831 417796 402280 276769 314244 288790 386097 416509 320124 285705 264990 470988 300593 359139 272710 251366 411013 379105 297315 320801 273498 347223 409235 393155 1691883 1839269 1772781 1470034 1434116 1774429 1724757 1141300 1137077 1644671 1107867 1483908 1118547 1099453 1084079 1108155 1118804 997954 1015207 1059270 1121687 1026085 1015298 1055212 1023873 991478 940327 990889 973736 1103651 1036250 911145 1003266 968396 873362 866805 885405 1078990 949673 963411 842345 966438 891530 1043053 936715 770519 906772 814860 926870 940664 847597 828982 886008 1011492 959868 981002 1020694 878356 917812 802130 Targinine 18007 19218 19353 11301 11841 10859 12809 12152 9536 12239 12363 11479 11273 12419 12373 11167 11147 11746 12037 10896 11299 10841 12049 11136 10854 11447 11656 13494 11028 11430 13298 13082 12446 13104 14197 13947 13457 12049 14033 11862 12394 14924 15294 13454 14834 13319 15212 10853 14607 15144 11565 15029 15487 15496 15149 15122 15828 13873 15226 11471 11609 14075 11482 6508 5371 5484 19893 19321 19253 18993 17033 18850 19247 19254 19243 19746 18366 19201 19353 20208 18512 18878 20950 18158 19912 18654 20576 19529 19255 17588 17449 17957 18419 16962 17563 17885 17700 16947 16858 16873 17192 27905 27787 25138 18764 19399 19662 25401 26030 19472 18189 17868 30095 20476 23049 17802 18144 25045 22658 18052 22308 19723 20304 24918 25167 73668 75463 78551 64983 61543 79121 75761 49686 51606 77560 52174 64784 61316 68246 50308 71688 66233 66257 56415 69620 55533 57918 48716 66502 50390 50339 50287 49326 51205 55215 53883 51011 52266 48482 50313 51220 55195 57957 65681 54950 50367 59620 47337 63472 55709 52357 47407 50200 54283 58296 55746 58752 49191 61180 58285 51457 57586 53341 50428 48839 N-6-Trimethyllysine 265981 253134 283971 128732 132353 129445 130997 130925 125153 131325 131367 128828 129110 129137 130703 115642 120071 116276 118292 119002 117395 118434 121103 120790 118570 119967 121954 131603 120421 122347 133871 134960 135576 133723 136024 132204 124586 126248 137787 125501 129698 131213 125465 129567 122187 131028 128378 130239 134042 131304 133974 153122 146845 156111 150781 153038 153774 137017 141346 130727 128753 142130 129378 133581 113303 128342 532547 526055 515446 504725 482051 510192 520063 512845 521324 498754 496812 487313 476048 504495 487428 471025 518980 481032 478986 488642 493156 480155 470741 459156 473830 472857 477300 455350 473991 453155 458691 451020 445246 452635 449070 544522 529973 493931 466999 474553 468714 496881 521151 477104 469434 465727 579183 467689 482846 484157 478039 507798 479317 471459 469436 466995 482544 499000 503668 498086 509680 623371 368737 379748 597745 500607 335914 338871 581823 334312 393424 374822 398108 347464 427017 394896 411606 360960 457613 361707 367400 339804 390807 334388 344461 355144 342557 351281 365790 359649 347101 355772 335681 357334 362327 431396 434606 577665 379163 376974 498486 343803 600164 429666 380174 354714 368725 397580 479455 474076 481299 365079 520547 506971 339734 422172 360525 346715 343050 N-Acetylglutamic acid 494108 355683 515292 89009 93815 87339 93331 91941 94999 90757 94047 91736 86974 74280 90765 88140 81543 81327 78407 79792 84494 82688 79288 79341 78128 82173 76357 80469 90203 88991 80477 84417 81507 87429 79417 79949 78719 90753 79295 94805 208669 423666 472693 261806 381836 256628 455158 100079 408433 428457 103443 113574 94399 110680 117791 112179 109230 113025 113739 92210 97795 118393 96785 88125 91103 78487 315484 323575 292196 278920 275437 305292 310779 286881 310199 290623 279308 292131 239154 259353 262032 240858 240897 252387 235315 235243 244059 231009 227790 271854 255060 268836 272177 260078 270102 265735 259680 263295 261668 259505 257336 111533 127592 139322 273495 252479 239884 152461 158116 254747 275274 255049 126660 296213 297191 285986 278135 286592 298817 276057 296309 281869 290203 289928 276371 21557 22038 19757 28199 27882 18808 21275 83288 87451 21574 88176 28665 94326 63130 101669 57139 60065 58163 93963 70943 105767 113024 103206 63841 98459 103933 105377 102368 96308 103614 97592 91409 96577 93824 89263 82896 32074 34049 35062 35235 33221 36167 83399 33965 32054 30078 78921 82615 82072 43357 43522 47722 81178 48657 48523 80655 45278 82962 82205 100224 Homocitrulline 17726 17748 18829 5523 6196 6145 5893 5660 5087 5501 5610 5839 5418 5754 5910 4098 4031 3808 4184 4165 3724 4152 3763 4395 4468 4038 4391 5124 4279 4370 5489 5390 4735 5122 5615 5580 6034 4781 5535 4498 4818 6266 6478 6750 6472 5154 5829 4932 6959 6836 4656 7750 8436 8749 7326 8409 8323 6906 8051 4861 4748 7095 4912 5917 4788 5156 82510 83636 74305 77563 73890 80100 85005 81361 86498 80830 81865 84767 79234 83483 76540 73076 86623 80897 77826 77532 85469 77391 76326 73537 70761 76369 73818 75242 76207 72877 73397 74029 75426 73907 69632 88186 89366 75492 76416 74568 75917 81405 84689 75413 72129 73134 90018 77464 80729 75948 76728 81755 79210 75490 75587 75752 77141 87690 85429 11480 12695 11841 9215 10164 12536 11891 9947 10107 12578 9246 9636 8139 9263 9771 9437 9140 8762 8408 9547 8193 8280 9654 9702 7555 9282 10075 8460 9881 9097 8800 7577 9938 7437 8125 9275 9932 10334 12266 10264 10737 12339 10287 13095 9614 10173 9683 9281 8781 9813 10757 10405 8031 11452 11013 9260 10145 9349 7898 8541 N-Acetylmethionine 16126 17623 17123 14192 16378 12756 15324 15758 11481 14534 15603 13600 13410 14095 14467 11644 12093 13554 12122 13001 11465 12636 12342 11908 12704 11962 12245 20898 11667 12857 20760 18882 19751 19371 21390 20614 21411 12849 20940 11558 13880 38654 33378 17039 33640 15137 30578 12958 34629 32448 13102 29361 28051 31765 19572 30627 31448 19370 30012 13561 12831 21073 14049 68654 84827 37793 39964 38124 24260 22642 21268 36072 39632 28565 38810 28497 28147 34357 23232 23097 20053 19034 23180 19995 22175 22834 23772 23237 22820 20391 18982 18841 19586 18602 20998 18996 20287 20066 19430 20108 20355 31890 34153 32727 23023 27404 26967 32169 35523 27569 22601 20377 36558 23672 32122 19464 20218 39839 34957 19918 30156 20845 21871 37970 41377 45982 47049 51696 35802 34413 49132 41689 17672 16496 45570 17625 34058 23986 77617 17183 125571 88884 133512 30083 142977 15311 26351 16136 88688 15022 15808 15750 16090 16091 16317 15180 15259 14972 15273 14636 15170 23500 21657 24971 20271 21806 26793 13586 24733 22458 18413 13013 13657 19226 49702 46150 57203 14605 59865 60254 14068 44113 19200 13789 18605 N-Acetylhistidine 64794 58767 71283 7136 7298 6765 6827 6840 6254 7322 7560 7393 6709 7984 7680 6924 6652 6840 6083 6286 6440 6649 6866 6434 5956 5697 6543 10586 6817 6733 10856 9650 8735 9061 10983 11029 10906 7581 9545 7500 8027 6975 7565 7057 7861 7883 8183 7215 8534 7733 5933 11705 10947 10968 9872 11474 11461 9481 11972 7655 7230 10102 7742 54284 53186 28068 29831 26671 21866 21769 20678 26297 27698 21895 29792 24750 26526 25990 18270 19019 20269 21908 22017 20377 21203 20846 19926 20148 19566 17314 21125 20695 20785 18399 16955 19355 18100 17459 18648 18259 20392 28019 27671 26771 19739 26105 23569 27969 26265 21449 18925 22935 29827 23913 31084 22922 18564 33477 28002 19670 27805 22935 21889 30558 36466 33847 32918 43482 14965 14515 40502 31258 10335 12559 42821 12688 14984 14092 44426 12090 54687 36037 55447 13618 76264 10583 13576 12371 36315 11280 12409 13283 12625 12919 12552 12509 12009 12998 10810 12254 12424 24182 22095 48417 12464 12369 39201 11824 44615 19842 13088 11645 12079 15033 28621 28912 35000 13419 33299 32566 12720 28134 16736 13085 15504 Symmetric dimethylarginine 3118937 3044737 3390097 2078497 2057627 1993471 2205829 2051586 1938998 2050958 2065878 1936426 48078 2097429 2084900 1828039 2100146 1974911 1935679 1905672 1983137 1847223 1908258 1833965 1844035 1989574 1958468 2049594 1813008 1965479 2024053 2135405 2115867 2049545 2023478 2093127 1906400 1891102 2034468 1915471 2047135 2172084 2150206 2190168 2192167 2177935 2219892 1966004 2269170 2231270 1991456 2475972 2387428 2519408 2341351 2539392 2575780 2349403 2623364 2118331 2006186 2380238 2087969 2064059 1826899 1927101 3037474 3090322 2823801 3024696 2996426 2945264 3186826 3137463 3077274 2946785 3154252 2988742 3124690 3010323 3083292 3149485 3223200 3084084 3154461 3053697 3636569 3178005 3085551 3074251 3087728 3206468 3194784 3110710 3028867 2937237 3059115 3047217 2995384 3054179 3001271 3692933 3499838 3365575 3182065 3071523 3228248 3088898 3303841 3075602 2967375 3018491 3575659 3015440 3130000 2902228 2852907 3089221 3247229 2921716 3010969 2928554 2938603 3077948 3288490 3125990 3289413 3375941 2904940 2728880 3609356 3371689 2798523 2558053 3401770 2568368 2873882 2527599 2463669 2636666 2686325 2274396 2660535 2239213 2806897 2548802 2769161 2458648 2658376 2514614 2514464 2437406 2561491 2523867 2525407 2417149 2486524 2493761 2426322 2390900 2630718 2758870 2793895 2919871 2468967 2803287 3079274 2518894 3180425 2871645 2822736 2806578 2684438 2608472 2869546 2995973 2900303 2605780 2924696 2637522 2484015 2644990 2781791 2605752 2590771 Dimethylarginine 31356362 30045421 32817283 18283323 18832963 17940901 18760883 18547399 16896270 18344779 18730031 18525421 17926038 18509288 18620716 17163211 17449145 17241932 17702202 17484475 17071629 17625392 17919933 17367159 17492225 17497547 17996709 19812404 17815230 17079006 19645271 18963057 18939999 19190321 20419593 19603264 19433570 17886909 20150100 18120513 19342700 20628568 20019889 19257577 20315360 19039302 20670771 17963297 20692303 20577128 18318314 21915971 20544983 21913544 20952372 21010644 21699206 20103371 20722341 18157581 18057763 20150921 17856696 18515551 16307976 17816050 35979765 35906702 34990577 35280670 33472458 34762994 35517349 34882221 35296242 35121762 34343917 34522615 34746215 35697024 33964714 34024351 35837082 33905074 34281440 34422412 35425249 34442573 34371050 33290899 33914976 33907332 33174567 33781041 33761759 33557330 33754661 32742056 33660644 33231041 33430275 38674523 38815836 35776252 34208417 34740483 34570059 35507419 36487406 33932130 33893334 33792037 38480418 34474000 36505713 34286056 33471862 37382631 36428442 34233155 35165206 34330676 34237275 36962829 36753687 37822132 39013522 43893092 30748408 31542728 43472370 38054692 28025104 28331696 44331905 28692208 32652332 31763444 34652201 28557737 37463965 34271556 35346953 31092637 37581159 28770472 30516993 27020856 34428359 27894434 28101475 27847253 26720658 27009650 28901489 27749805 27519960 27234882 26623076 26094554 27097688 27839086 28791033 33030577 28068498 27066579 30868734 25665055 31391054 27940491 26442676 26925142 27200285 27572838 29057523 28877297 31057109 26583581 30266250 31163565 26627512 28722914 27352742 26116788 26928715 Tryptophan 9589246 3903058 13013235 455542063 481864281 463131918 475951690 468192359 438179890 468634857 470504910 441417842 463989790 452020121 452168457 404762489 429085494 414361036 418925033 401930289 392943485 400538917 401110810 394816047 393987980 401262123 407688326 417919962 389032821 399001736 414287924 432562955 422985544 428555501 432328697 423671454 423966987 420619055 427865117 408206791 397389856 388887670 370549009 400817779 372631151 401304782 377074889 432904829 379270404 389087930 432382297 436354926 430816571 435142432 418228880 412544473 426754331 411926790 406952893 412533813 415316969 417093179 444217261 307790403 202205408 283910699 1129836059 1124419933 1086510782 1089037961 1040669652 1094790024 1108076885 1093291570 1140726056 1085331282 1063579472 1094698726 1059739058 1093703122 1082200291 1065096055 1093050873 1061508244 1051483503 1082842639 1088450104 1071319305 1050739828 1040007711 1030854064 1055722357 1063801614 1031566889 1050859220 1043163932 1036779739 1016678265 1023807880 1025802344 1026661067 1210942593 1179452745 1111252826 1071627971 1079928845 1061911930 1119959404 1137022946 1075141903 1026797982 1028935142 1196268178 1072426244 1182405685 1074616595 1044237968 1227996423 1162805886 1043724995 1112898797 1044659228 1063881549 1221025518 1212643633 1009907340 1007112406 1051872548 926538980 944081686 1042192275 995448262 900333646 901807252 1045948480 914454250 945149433 934343152 1009384423 935020498 988291961 995941001 1010514293 931429106 1009243972 919079500 946804912 939900576 999358565 904189018 925385419 957012275 930237018 947029388 1002805133 918315251 942486703 942741554 942111306 903620982 932101805 953302021 968595680 1012808442 975005638 915072254 1016458420 924222119 1029108885 954389805 911728897 897851683 940709381 915721853 1001203580 973503901 1023447597 924817407 1021596157 995513662 929168229 969003994 939460646 926973942 955340481 N-Acetylphenylalanine 28225 29349 29737 25002 32639 23753 30556 31336 20877 23335 29835 23125 22583 27120 27605 20465 22274 22851 22296 21766 20984 21940 22120 21522 22427 22673 22577 27386 20171 22366 26980 24382 23301 23663 30886 29428 29161 21490 27658 23252 27967 90958 51026 29709 82602 30345 50157 23655 84717 81737 23387 51314 50372 50647 39838 52369 54140 38431 53322 21768 21028 40115 22429 29865 21757 25821 111682 114658 91253 92985 87629 109814 113967 107173 118066 110786 108799 109959 96954 101264 91782 88571 99305 88670 94363 96340 100068 99813 92129 89767 87472 88581 86888 84450 88611 85585 88107 87399 84061 85238 84756 92262 93299 91243 89058 95008 93099 93714 97806 93805 85586 84157 94328 91722 125597 87533 88219 136448 127044 85102 111143 88281 92042 122279 134062 64169 64835 68104 56110 56236 66648 63278 50687 51926 62770 47274 59665 67044 150790 55233 227180 171945 253677 72078 225848 50516 72002 56271 187355 50824 53132 57652 54760 54868 58033 53101 48616 54342 50536 49643 50293 66187 66433 74521 62340 59144 71104 47783 68126 64859 53136 50414 48837 51473 104564 110545 129795 51390 132288 137677 48503 106689 54882 51022 58631 N-Acetylarginine 125118 133219 127052 24670 23161 23268 23575 22473 22323 22872 22929 22366 25051 24100 22934 23031 24100 24422 23567 23133 23011 24204 23497 23973 23989 23514 23298 38420 24014 25390 33369 34101 31049 33245 35360 36246 36086 25060 36991 25221 27139 35568 30998 27680 32911 28244 29877 23676 33410 35270 24104 47991 47903 46745 39793 47363 45820 39778 48075 25892 25918 38025 25091 110175 74806 75910 73158 71683 57214 57123 55493 70315 71650 66710 77063 68215 67118 71364 53325 53375 57680 55764 55093 55210 55379 58319 55589 56974 55487 56435 55195 57599 55273 55632 55921 54152 56894 53971 55771 56309 53285 62233 62403 62440 56138 59123 60465 61629 62213 59202 57093 54498 61771 56633 65535 57878 57584 70640 68144 57510 63646 56941 58525 69027 71766 65359 60426 62587 64987 66846 57120 65081 49895 52028 57505 51309 69457 57569 155279 51184 207526 133832 205881 57761 232769 49698 55299 50849 140557 52537 50113 51696 51589 50731 54438 51009 50677 50548 51662 52021 50314 48101 45599 52548 50210 47266 49990 51115 53881 45517 48031 48611 50723 60137 113564 108206 115942 52455 118428 113473 51313 111525 61927 49917 58008 Pantothenic acid 104060 92634 140633 521349 238178 999824 125181 246765 876478 425345 219048 403154 958649 228161 118186 870854 936291 924070 950905 935498 873464 929105 944176 927456 947806 924710 956157 553154 870715 905061 518377 603011 554447 563568 581653 556631 530897 936697 544935 917266 945030 1046645 991170 920699 951661 925191 983113 957769 1005119 950575 935789 31771 16547 26488 2082 18463 22118 2855 18364 894745 885602 1972 912397 418172 346711 832224 2701813 2448024 3534793 3510043 3327721 2305596 2604576 1655406 2550215 1572298 1635272 2238683 3284460 3121823 3418453 3303473 3055177 3333238 2946439 3266101 3053909 3066859 3010853 3404285 3297472 3378101 3335717 3236824 3423692 3260167 3345128 3285853 3270297 3337011 3306557 2981219 2975568 2957569 3373639 3036513 3030183 3025884 3050370 3076170 3304662 3239151 3096866 3351988 3394871 3308634 3331186 3520898 3476435 3220455 3296491 3225944 3324842 3454686 3500036 1866352 1856241 1800493 1678946 2021461 1937260 1836756 2402290 2416482 1661372 2159466 2057052 2545287 2373111 2553425 2624257 2738572 2774719 2597022 2700580 2437630 2681261 2503047 2772976 2447278 2446289 2578236 2522891 2565859 2677621 2436848 2334793 2542583 2411967 2322835 2436141 1964525 1993718 2012983 2192840 2016761 1923836 2468233 1974841 1910294 2045557 2427916 2464438 1648330 29049 34356 164696 2298143 152235 120684 2317312 33606 1158506 2324441 1841719 5-Hydroxy-tryptophan 272186 274402 284056 86385 118066 87743 113904 114563 84093 93174 110015 85745 85940 106707 110912 79707 82014 76494 82223 86570 81744 80172 80321 76739 83287 83358 79657 111973 82617 87005 114692 98175 98201 101065 115317 116061 114140 93473 118582 87118 92462 126450 123392 96817 116136 95462 128904 98878 128387 131666 86041 162718 173911 170408 137689 169146 166589 131850 170273 90913 91219 143293 101314 147922 129202 140856 152063 144006 111375 121442 117400 134888 146641 126060 146673 120628 117335 132610 102219 115625 106416 106046 115303 103730 109242 107062 111489 110506 109513 115422 103974 112794 108910 101319 98277 98932 99979 98424 99345 103728 102763 123107 119479 105768 108405 104949 106887 117253 118030 104443 110426 107104 122501 102929 119521 112172 106668 128451 121967 107318 106437 101898 107884 117747 127556 65962 72633 66511 69357 62164 66525 67465 63166 61419 73058 63939 62751 57743 56347 53332 55189 55680 56326 51917 44550 51918 52666 53950 59951 52832 56539 56382 53917 56750 64329 59215 57553 59523 61002 57711 59598 66657 62018 67493 61760 62444 69158 63569 70312 66499 58807 65014 62591 68360 94158 93256 99565 70876 100987 100032 66328 96427 77699 70890 66109 Cystine 649 364 110 612414 620459 680126 594211 643101 484075 578977 616864 515095 528920 607102 571922 641884 668167 587125 661886 603822 559212 664885 473286 633381 620531 529191 535752 516784 480774 362266 400590 540229 509828 472700 453980 469563 379233 370008 442909 572426 539144 450963 530232 562361 449564 573679 509938 465241 518100 509803 667375 659714 574983 619762 624690 600914 658493 565988 620091 695213 651672 649051 754017 410292 829561 819472 359 463 239 161 542 295 142 1679 97 1426 1049 259 2750 216 2789 136 2028 478 1373 99 162 130 293 1577 552 783 482 415 1069 384 1272 876 1683 809 579 272 144 171 227 1917 611 1951 412 179 2551 1373 4691 2132 374 1247 447 447 493 1272 887 2131 3267 136 N-Acetyl-D-tryptophan 56421 55122 53000 40026 43741 38833 42416 40868 39610 44875 41231 36384 37880 41662 40508 35407 35964 39013 37307 38530 35966 36932 37291 35602 39782 38287 35637 36379 35673 36860 34676 37124 36218 36175 38604 35896 36653 36027 37080 38492 49028 76603 70069 49207 69234 50674 67314 43284 73705 73097 39857 124606 106204 116727 97620 121226 122538 93559 119361 41127 43905 98429 48232 49429 34567 40293 565737 550229 142604 148813 145200 530265 578872 398701 626781 392187 384097 578346 149789 148064 133446 133502 144687 142143 146812 141795 147388 146838 138567 129522 134513 132811 129103 132333 136191 131417 131262 126747 131271 130632 128887 137095 129325 124184 127722 129193 132398 134190 136103 135671 129214 127802 135168 153272 294781 130532 132807 383557 295341 123599 278054 152517 146542 326467 395287 74387 75602 76517 60687 64615 79048 76097 71214 74449 80112 70142 65195 100095 580488 75735 1031667 639163 1061498 146117 956498 72565 103569 75188 698168 69630 79949 82895 74763 77614 91130 81033 72201 79775 74682 81448 83768 95825 88503 102573 76031 73392 111942 73396 101741 95825 71926 69189 74393 155414 1384633 1407583 2385394 75104 2536652 2330704 81884 1375856 195969 84830 154990 alpha-N-Phenylacetylglutamine 23687 24888 25290 24203 34294 22800 31404 32149 23334 25402 28897 25168 21439 24913 28848 23452 23233 22868 24133 22514 22476 24383 23152 22579 23877 24707 24116 26635 20488 21062 28137 24059 24170 24082 28120 25544 28820 21205 30547 25923 23819 23983 24294 23235 19467 24326 23081 22886 22593 23543 23849 29430 28437 32593 29885 31687 31330 27872 32090 22511 22141 27894 24062 35463 25850 33552 103825 103015 96817 94270 91137 94556 99890 93360 100077 94555 92777 97032 83769 83935 88433 88136 78024 89210 79258 82355 82468 81777 79937 94185 90575 98751 99285 90747 91341 91960 96321 93039 90634 91873 90412 59951 55185 64603 87751 87421 78992 64149 66315 84729 91698 88052 58366 85644 78912 90821 90594 77568 79469 86585 71308 77669 86173 75093 75571 5258 5657 4910 6675 6681 5396 5788 7762 8815 5413 8870 6616 7547 10283 7961 10173 9396 9495 7714 11562 8176 7649 9784 8764 9427 8568 8306 7776 8161 9983 8097 9109 9143 8919 8034 8081 6806 8005 8051 7468 7158 7728 8959 7164 6935 6954 9308 9056 10285 7364 7519 7632 10025 7362 7490 9122 7726 9660 10170 9614 Argininosuccinic acid 9476 9488 9338 9078 9308 7361 8823 10223 8699 8534 8855 8443 8422 9086 8794 8703 8796 8911 8771 9496 8616 9230 8621 9465 7003 7189 8688 6744 8544 7586 7435 6399 6211 6680 7696 6555 7892 7306 3309 3679 8046 3661 8152 2620 9618 4186 3571 8606 9492 8889 8734 9180 9084 8945 8196 8913 9134 8768 9486 8873 7573 6721 8402 4557 4542 4426 4939 3518 4217 4952 4564 4492 4062 4562 3887 4639 4975 4444 4127 4170 4106 4830 4239 4713 4461 3925 4420 3822 3655 3384 3177 3349 2917 3615 3351 3286 3276 3467 2460 3453 3693 3782 3087 3540 3077 3915 3311 3099 3779 3650 4316 5184 3815 3622 4228 5256 3853 4727 4785 4186 4432 2999 304 33 191 136 63 408 738 619 848 252 665 126 582 95 269 130 274 67 443 499 510 57 475 426 521 237 403 577 230 166 632 292 473 468 475 184 310 492 195 228 285 76 185 325 360 637 449 296 291 563 504 141 450 347 430 211 646 251 C-Glycosyltryptophan 99935 102775 103318 79926 80656 78265 80467 77172 66842 84843 77914 73779 85042 79163 82017 73669 84751 74176 70954 81150 78799 78159 85037 72431 80969 76824 83352 77432 65094 74782 81497 95721 86717 83953 83383 79638 79627 85196 90175 85054 91717 93517 86885 90232 84990 86720 88130 91587 95685 98764 78071 84824 83821 87073 93000 84281 87916 81185 82673 80171 85655 91874 91505 71772 47507 63392 271733 280397 263836 288277 267697 267646 275330 273599 268471 273393 258353 260289 253784 277000 267020 250307 281037 262599 255294 265231 270611 268128 258220 261815 247076 258070 257607 256308 255078 259746 256460 251229 252175 241564 246452 287300 285448 285717 274330 260296 268911 291188 298400 269168 260468 259952 304944 270819 290620 271806 276352 306552 285510 284613 286648 270454 281282 307324 299424 309887 313541 323299 278668 280342 327842 317625 274148 281364 332600 278249 295867 305068 327344 287616 363671 349946 366077 320725 399068 284921 315176 308019 370938 295284 307460 305126 298911 306582 343853 297889 304864 307070 300611 283448 299111 314906 313647 359111 329645 306400 362619 282950 378594 315751 289714 274157 293877 276454 354144 358170 360547 279094 357829 348463 283967 348027 283312 288586 296670 Ala-Ala 59749 47635 62139 238001 263502 238022 263672 266970 227502 250576 274143 246859 247940 277320 277281 264524 269993 272605 270282 274739 267336 272412 275617 265828 273559 269777 274846 287683 247440 266366 293954 283268 283437 279677 263164 268537 273061 262091 293004 260019 263311 155170 156430 270245 177839 271320 114444 265499 177426 154704 267838 284224 292342 279287 285177 282462 292243 272040 291657 258553 257337 287152 260319 40511 45838 40962 133964 139505 122883 122522 118642 136697 135774 134373 136202 132952 132321 131531 117001 111824 118141 114569 102479 118626 118755 118096 108392 119727 119781 117779 115352 116804 116687 117364 120177 118074 119534 116744 113426 120417 117377 68741 79145 124047 123984 128072 120400 116661 127690 126007 122506 121635 73593 124628 96877 120635 123137 61505 91410 121221 102325 126075 124057 60061 61027 26627 24452 20133 33538 36937 19802 25701 25475 25803 19846 24563 37054 24339 20580 24675 19957 20005 18970 23231 25796 25311 24582 24472 19666 23924 23856 23568 23292 24251 26141 24706 24418 23868 24109 22898 23575 23211 22966 13640 26035 25670 17509 23140 13830 26096 25530 23230 23769 24781 31529 31964 34434 24487 33963 34860 23370 31008 25013 23662 23114 Gly-Ser 1493 1178 1311 37439 37684 39315 39834 39117 34814 38712 40152 38298 41807 40752 39389 40536 43774 42967 44030 41248 42094 42683 42529 42677 41930 42376 42999 27269 37363 39078 28506 37179 35549 37026 19336 20922 23393 39416 25282 39008 34722 20733 20053 36973 22348 35977 17991 40180 21621 20780 40231 33773 31585 33817 35233 32575 33275 32899 33888 39585 38305 34395 40122 937 909 959 16500 18266 19134 18684 16886 17273 16844 16672 17382 16636 16610 15637 17831 17547 17336 17305 17744 17218 17352 17559 17188 16753 17425 17126 17943 18270 17503 16592 18521 16967 17094 17060 16680 17386 17577 8276 9682 15352 17407 17377 17315 14862 16120 18302 15888 16897 9211 17220 15018 17097 17637 11532 14603 17224 14404 16807 18068 10690 10179 1951 1466 96 4358 4430 134 1706 3842 3874 4229 4562 4611 1483 4493 609 2134 552 3621 252 5147 4898 3804 2168 3923 4122 4008 3820 3972 4615 3920 3782 4238 3360 3840 4005 3431 4160 2285 3772 3442 2835 3764 2642 4030 3712 3591 3530 3953 3530 3890 3484 3746 3812 3629 4010 3841 3257 3859 2921 Pro-Gly 362347 357301 354189 5099459 5187774 4989158 5267952 5324537 4659094 5056901 5263145 5309754 5155947 5258216 5083723 5091877 5298317 5060939 5159928 5193338 5072232 5148880 5081575 5170031 5106544 5257376 5107889 5219177 4979013 5012838 5243338 5406307 5346216 5412621 5233874 5088996 5412619 5203518 5385535 5135736 5023992 4257230 4234703 4810171 4287649 5073528 3750528 4914164 4316366 4268317 5223642 5514920 5479420 5411749 5200752 5424004 5687695 5061643 5434785 5067744 5148015 5290569 5125184 360675 330042 447515 3935571 3661430 3584983 3712825 3501799 3873466 3850263 3724566 3848317 3752898 3526717 3623644 3650125 3464144 3600179 3606141 3431672 3419346 3299586 3591198 3240626 3385473 3401179 3511219 3347832 3393803 3387848 3418889 3285854 3188248 3428212 3284350 3277541 3107074 3340101 3013616 3032845 3389754 3280245 3335391 3477422 3358439 3524207 3410454 3222903 3647172 3063424 3305937 2973355 3583485 3424395 2418800 2987714 3365768 2957807 3165951 3596601 2447022 2490485 1465686 1324629 612283 2251450 2103186 555945 1373529 2256480 2139453 514070 2258163 2376111 2205130 765250 2305788 433332 883565 471611 1809486 259315 2449620 2050064 2312104 978118 2313724 2194126 2333300 2253183 2290419 2433696 2228669 2283631 2223605 2115984 2262640 2294034 2038247 1994937 946848 2208322 2176191 1503404 2433378 1074291 2079365 2283960 2261425 2305447 2208381 2468199 2442768 2378829 2300346 2384438 2439398 2300204 2195932 2402118 2362726 2277031 Gly-Pro 49327 47407 51786 575663 701671 437909 687629 700607 405402 621649 707987 636816 432209 690477 694089 420078 437366 429198 438198 426283 411320 422254 425932 420431 433484 431310 430675 555308 414161 439683 563822 588091 556781 535306 593735 556543 582062 441082 593640 424551 458978 402296 384912 448196 413668 457642 346861 422519 413643 393770 422516 549036 550849 548167 459738 555978 552810 435342 540500 407040 416561 453425 415176 221052 154564 318699 536610 537746 531753 540896 501945 531191 533576 525812 519100 518900 516305 525513 561991 641044 514902 504221 718759 514312 571819 552329 664133 561769 573152 509113 510058 524115 520607 511993 518004 512595 514710 506254 505007 508206 505001 1562679 1579095 885852 521246 586004 577744 918462 906104 574692 506075 500074 1604409 525106 531737 513381 516168 533807 533816 534370 524561 531204 521052 515419 514285 552064 599106 1036255 80815 78565 1038227 557383 35555 35038 1056262 35614 75911 39462 70569 34751 86237 64229 84854 42677 90435 35333 40402 36318 64902 35077 34599 34301 33716 34751 38545 33163 34259 34840 33197 33663 32741 130889 118172 538014 56525 56390 380313 40380 526284 106712 56497 39893 37988 33989 37169 34671 37885 34846 36848 35893 33649 34638 33283 34615 32693 Gly-Val 4307 3041 5141 266847 278231 265412 260668 267460 252607 271711 267913 263309 267154 269187 269111 273252 277973 271404 274135 276251 259739 268238 269619 262665 259205 276499 263905 199617 245548 254929 214579 251909 253278 253622 152618 154302 172316 248915 202745 247830 219451 75090 78849 221501 94344 220880 52637 253813 93971 77225 261003 265626 258038 254951 255361 261410 261182 243245 254755 256680 261444 256538 257644 6492 3769 39168 55306 45457 38880 38243 39078 44416 57540 39595 55952 39904 42200 46488 38720 37462 39442 38843 38652 39196 40519 39084 37786 38633 40773 38572 38383 39850 37929 38250 38356 38219 39779 38068 38977 39653 38991 20097 23650 36271 39473 42632 41629 34355 35488 40513 40276 39182 23218 40052 31404 37945 38387 21383 29861 38149 30386 38020 38576 22159 20518 9861 9965 954 20733 20413 695 10795 20085 20168 594 19292 21433 16608 3762 20559 1348 4687 1577 14447 434 20784 17232 19580 5544 18809 19939 20273 19506 19911 21403 20140 20381 20653 19407 19124 19714 22366 21614 25696 19664 19868 26465 18445 27032 19596 19924 18862 19297 20164 20798 21084 21267 21448 20765 21894 20604 20455 20072 20261 18948 Val-Gly 9376 6286 8778 205470 206518 203859 200535 209801 187337 199706 206543 202686 203768 201775 200821 212110 222625 214875 219941 215322 205717 207306 211076 205881 216833 213614 214844 204884 198215 205353 206177 203978 203270 203470 211350 204230 214277 199898 203966 201205 203241 257384 244114 202160 234799 205176 282729 196909 244442 267189 211011 197531 209042 207419 207279 202582 209442 192230 203648 198563 199915 204569 207308 2381 2005 4260 178186 180089 174311 172222 168719 173243 169995 166969 176585 165886 166044 169173 163167 157953 160867 158967 145776 162468 152216 159557 153870 159787 158116 162180 160167 159256 164052 163567 163175 161102 164491 158841 160926 158731 164605 161497 158897 155600 168731 162572 162490 154961 161337 162431 158292 161021 164674 168377 134758 163204 163389 78611 126930 163789 142236 162257 162463 73839 73833 32233 32119 27405 33256 36906 26708 32215 35931 35079 25135 34202 37248 28193 2203 34464 1076 2574 1081 20546 843 34080 26871 33581 2852 33246 34221 35353 33720 32689 35218 34427 34335 34626 34105 32999 35498 30526 32692 28344 34302 32746 31714 34323 29714 33878 33790 34535 34166 33907 34291 35043 36193 35433 36005 35130 33068 34862 35106 33602 34723 Thr-Gly 3364 2839 3475 120656 123284 122097 118644 120799 109174 117483 117033 118035 122584 116825 117316 121049 122334 120692 121621 121803 117786 120959 124127 123259 124008 120720 123287 111621 110432 119988 114635 118753 117045 120819 106495 101118 109825 123291 109772 124215 118357 98403 96106 120517 96911 123351 91175 121506 99542 99967 124635 124316 124423 123057 122465 121907 127254 113110 122957 123396 120174 118872 121041 4731 4156 4871 102858 107000 99984 102298 94518 101459 101635 99613 101433 96399 95670 98393 97511 95427 97719 97288 92809 97916 93780 97499 94043 93863 96409 97006 92743 95530 93734 93566 96317 93295 98729 91750 93535 94256 92381 73523 77590 94798 98294 98380 97500 92992 97534 99336 98705 95767 77115 97193 75924 97740 96246 46718 70875 99967 76935 94944 99865 43830 42647 28531 27169 13250 59583 58446 12694 28110 57746 59627 11316 58383 61227 53491 9069 57640 3899 12226 4713 41708 1782 62497 50931 55643 14013 57100 56400 57024 54952 56246 64272 55436 56373 55351 54868 54028 57535 53186 54729 41405 56029 52283 44620 52141 41564 53350 55295 52151 54435 55254 65184 66265 68969 55495 67330 66160 53993 64313 54443 53785 51948 Pro-Ala 296871 240962 339395 838379 836755 849601 838883 854656 814690 853263 836122 842337 875605 845022 842494 908845 905555 912254 901893 909010 895021 916099 895744 899099 920051 907683 912486 942263 855515 881839 939405 954429 963251 953209 1029905 994901 984434 890829 985204 874799 833563 1346176 1418017 933345 1328095 952155 1522905 890600 1335377 1362515 885392 875696 859197 859003 868324 856424 865358 825066 856329 887229 883915 846136 885196 670506 592349 763070 1196854 1171702 1166172 1142817 1118697 1144507 1184566 1159993 1197950 1171075 1152455 1161402 1128211 1056668 1168669 1146562 1079585 1117979 1085098 1150391 1073960 1078622 1081237 1142648 1140384 1140323 1130627 1107044 1136364 1129610 1124130 1087454 1090430 1106064 1088599 1326998 1318814 1173809 1091015 1122624 1123705 1161638 1216181 1141337 1115639 1129879 1398281 1031837 724326 1171137 1174658 567639 693822 1148814 728291 1013399 1029871 542310 542037 316788 316881 307505 294585 267179 282252 283725 277376 281878 278539 285225 282509 196338 42075 277635 42310 55700 48759 168904 43363 285108 195817 292672 60307 287413 288102 285835 284334 288545 315925 289969 287176 283068 290103 283597 274952 260646 247130 286968 282670 263435 294209 284464 252171 245570 264882 275897 273290 263288 264600 262005 266202 285319 255577 253555 267833 257991 256336 284846 271318 Val-Ala 19390 15491 19149 1979976 2045578 1998376 2001918 2031162 1867195 2002384 2001011 1975095 2012567 1974210 1984106 1976264 2023996 1999210 2000121 2015240 1906573 1922129 1968563 1928286 1950865 1965193 1993251 1810089 1849012 1885588 1835313 1898326 1897924 1926509 1755268 1735020 1799653 1944708 1862803 1950810 1825787 1531521 1553534 1815058 1514765 1824013 1502044 1917924 1534431 1545574 1942943 1891706 1919220 1889438 1924428 1919150 1932561 1844113 1872219 1909033 1929121 1922164 1977390 168292 147273 241803 1745739 1785078 1819132 1818425 1712769 1758811 1760258 1754328 1731053 1749796 1712525 1699548 1743288 1517915 1751182 1747980 1458579 1767369 1689337 1752112 1520879 1705916 1695749 1775780 1726074 1809267 1779017 1790397 1812147 1734241 1782451 1734534 1787804 1805665 1794928 1138678 1163923 1427950 1871824 1731019 1745440 1390786 1439042 1715700 1784065 1787592 1179411 1692517 854044 1789577 1795102 382348 764859 1795412 969900 1574276 1651044 339154 344397 295349 276264 98511 496101 493048 93608 289055 493833 489764 100221 499675 491093 402664 97807 493377 48522 116255 53805 371085 33895 496548 407279 491178 121945 466980 468431 467776 462111 465557 430071 469595 461867 463165 463167 486854 465314 523027 529072 397612 502504 550186 450655 522346 407745 540124 539776 545990 530649 539164 534965 539446 530242 560420 532096 540783 554764 548577 569867 564768 557468 Gly-Asp 80584 82842 94508 35711 37944 32891 37748 38852 28230 36249 38322 34656 36161 37386 38391 34561 36739 35022 35657 35070 34028 34520 35197 33770 35534 35103 36405 37496 31580 32905 35939 35846 38540 35767 37716 35971 35911 34211 38966 33364 33429 35647 36019 34810 33523 35304 36611 35987 34141 36162 34349 36289 34597 35539 35202 36336 36306 31604 34043 31328 30827 32208 33191 150 30471 28444 30312 31870 31763 31718 28432 29975 30098 33205 31131 30741 31015 28785 31078 29834 30540 28991 30906 29001 30836 29196 30496 30673 29589 29061 28722 28541 27695 27520 28668 28481 28574 27004 27848 27207 27526 27571 27564 28968 29171 27883 29832 27094 28222 30929 28197 29679 29587 32769 30267 30301 30616 32500 31294 31600 31712 31174 30546 32663 29387 5793 5808 5349 5385 4879 5683 5397 4326 5123 5650 5018 5638 4921 5538 4595 4860 4491 4720 5194 4963 5161 5086 4281 5155 4604 4768 4498 4223 3877 5633 4919 4027 4560 4060 4030 3868 4964 5262 5101 4642 4308 5146 3869 5219 5030 3826 4159 4306 4395 4551 4090 4669 4385 4354 4659 4351 4822 4215 4784 3898 Thr-Ala 2131 748 1756 71639 74428 74039 70311 72835 67098 71958 72155 71795 72058 70444 71278 71213 75030 72695 75820 74903 74448 73271 73857 73532 77332 72726 75684 79362 70399 71451 78935 74377 73636 73447 81146 80583 81757 74414 83121 74413 79586 117804 112114 78284 109614 77465 118628 71388 108926 117706 72214 73566 73953 73604 74056 74870 75327 68935 72379 68224 69793 72063 71203 996 1091 801 102388 104204 103122 105045 98730 101609 101591 103576 100872 102832 100974 101128 96515 89025 98561 94249 77014 96645 93662 92928 85076 92559 91219 95331 91466 96584 91274 90945 90768 91992 92236 88846 89586 89056 89951 53262 54570 81632 93071 94487 90016 82385 82255 92779 90889 94284 56352 94815 53282 95261 96325 16827 50075 100184 63993 91584 95763 14096 13447 10349 8606 1530 23088 26887 1110 10652 25577 24848 1089 24742 27836 17473 760 25006 796 694 562 11640 775 26758 18353 24029 1154 24426 24550 25017 23804 24546 28055 25307 25581 25135 25569 23818 25484 18183 19954 4328 26140 24978 8336 24448 4766 21654 24099 24961 25244 27407 28998 28653 30354 26558 31018 28500 25250 28942 27054 26308 25869 Ala-Thr 1753 1584 1908 85382 86833 85414 84982 84401 79099 84893 85299 84868 83999 87875 83443 84820 84703 83793 83952 84884 82289 82770 84568 81009 84120 82696 84264 87344 81418 82283 85141 88908 87671 88332 80615 82124 84986 82322 86061 82972 82737 71560 71951 83669 73730 83404 62330 82231 74873 72263 83635 93557 89520 90479 91346 90015 92002 85599 91373 82429 83204 86464 83905 887 508 946 60834 58382 56048 55482 53813 59303 61224 60310 60833 58056 59342 59394 58854 53078 57393 58117 52214 56250 53627 55593 52473 52877 56273 55410 52565 53582 51647 52666 52314 52886 50271 50635 51811 51078 48396 40936 41440 50924 51598 52782 54962 50469 52947 53498 50076 53485 41584 53327 45593 53992 54869 34073 44478 52683 46462 51152 54733 35571 33085 24463 22146 7776 41433 40456 6887 23664 39725 40080 7432 40352 44743 37132 1827 40119 200 4413 189 33358 94 40784 36550 40137 8148 38997 39222 40144 39530 40009 42396 39236 39826 39537 39219 40438 39929 35384 36024 11278 39862 40515 23509 40572 17002 36506 37825 38729 39548 40041 40445 42212 41776 40636 41742 41248 39130 40857 40976 38937 39788 Ser-Ser 14798 15002 14542 14170 15444 12599 14880 14695 13698 14925 14488 15480 14812 16151 15363 16289 15869 16045 15604 15420 15007 15659 14810 15060 12625 13872 14029 12281 14292 14042 14546 8508 8912 10599 14414 11293 13930 12771 7598 7457 13265 8820 13553 6050 14174 9406 7508 14219 14171 13209 14136 14656 13901 13980 13517 13860 14623 14403 13916 14415 228 392 134 8712 8511 9139 9169 7925 8977 8540 9498 8101 8565 9018 7809 8142 7070 9202 8576 6075 8915 8435 9145 6984 8083 8492 9105 8297 8271 8939 8715 9816 8460 9034 8282 9605 8641 8853 1559 2389 6274 9091 8316 9228 5717 6818 8472 8763 9555 2198 8810 5705 9134 9429 3259 5378 8879 5928 7915 9262 2048 2629 1706 1485 361 7604 7232 191 2320 6890 7043 242 7102 8127 7693 1375 6044 471 1865 541 4826 156 7824 6535 5426 1816 5874 6367 5382 5546 6248 7283 6402 5732 5907 5381 5175 6095 4002 4709 524 5923 5343 1335 4878 730 4482 4990 4667 5459 6264 6714 6514 6559 5568 6071 6146 5724 6121 5690 6004 5046 Ser-Pro 38680 29501 44569 193011 197064 181855 194903 193328 169541 191205 197382 191896 184622 194987 194519 173486 178757 182333 180912 178335 170984 174593 177271 180349 182199 183034 181774 207306 173956 180693 207794 205154 213254 206297 215977 209249 209067 182550 219026 182327 151384 167542 165038 172754 171484 172156 163177 175245 176926 164447 178434 212783 210120 217246 203699 215577 209949 196928 205467 184060 183319 198081 182102 21821 17553 22191 382733 359449 313496 310435 296991 355175 389555 320476 390578 317003 320587 352678 309559 313921 314295 309824 324844 304345 313473 309020 320431 306485 307374 305810 305327 311329 302876 298365 305376 295550 296921 292271 298157 305834 294759 403914 397596 333272 303713 311856 310405 330658 337437 302922 298218 307237 411077 283370 195469 312705 307546 162655 187975 303871 188633 266334 281273 154739 158704 288211 294095 405249 159026 152459 391981 291632 125633 125254 389427 125382 159180 88368 49966 124780 63666 52332 60052 70482 75681 129324 91715 122407 49819 121908 127985 125635 122242 129630 140654 124824 124892 127138 122128 123638 122797 146150 139528 205960 127936 126317 176902 123419 206559 134426 127758 120997 124985 127017 129790 129221 136444 127414 134403 130686 121755 128235 121027 122814 122826 Ile-Ala 12253 10108 10643 404378 389641 407625 405335 403513 410851 401959 399615 414489 412149 400612 401952 417936 417427 411754 405446 415106 394109 399829 398245 401334 394549 406917 403665 369093 396724 404091 374850 396239 396695 399895 357271 352943 356961 404699 368792 401398 357084 295996 305156 364832 306671 370234 297331 395115 307282 299354 401629 396432 399901 393937 403841 394756 403074 390730 391074 381907 390634 392001 391833 15170 14816 27817 364375 367734 368881 362029 357760 374502 373649 375741 369537 363522 375008 367230 362672 338324 364696 359270 322637 358857 351080 354972 328234 345506 354675 361310 361383 366281 367752 366412 358615 360135 358902 355396 366397 357487 360025 212093 231579 307880 363082 354698 353395 299454 309002 356566 358602 362376 226957 315408 133380 371454 369494 70268 120811 361080 160982 306389 326736 60691 61313 125241 111653 64584 225776 222703 60309 114976 224799 221932 58052 229455 224536 138220 23056 218579 17865 22843 18085 102404 19566 217959 135694 217899 23741 229914 229400 240851 235119 232898 248674 229675 232043 236194 231926 216366 223713 182381 193192 102288 234970 214841 134183 221401 108474 196151 205441 215184 222073 217712 211396 208655 202090 221626 200057 201940 224736 208850 214568 223007 234577 Asn-Ala 112 344 407 23941 23455 22127 23835 24597 20023 22863 22713 23269 22284 23823 21905 22376 22648 23043 23006 22713 22061 22845 22485 22441 22568 23993 23116 23865 21626 22641 25241 27792 27235 26929 18510 18051 21863 23180 24965 23787 47374 7413 7375 48435 11134 49074 4167 23437 9867 7349 24335 23720 22944 22188 24007 22970 24856 21814 24072 22176 24210 23484 22845 3524 2978 5192 19996 20657 19394 20074 18026 19327 19956 18492 19269 19596 19254 19542 19134 19283 19436 19721 17564 18750 18908 18893 18600 18765 17476 19083 18544 18710 19969 19031 19082 19309 18262 16788 17527 18411 18072 3621 4650 15958 19075 20848 20039 13907 16032 20347 18393 18191 4767 19661 8754 18271 20359 2883 8151 17205 9550 16699 19750 3092 3084 3156 2584 655 15905 16301 463 3255 11619 11207 541 11864 17123 13026 1073 11296 493 1460 702 10628 305 12851 12872 11038 1900 12429 12149 11732 11698 11797 14294 12363 12592 11276 13269 11542 11791 9361 11042 4417 11471 11250 6438 11114 4487 10565 11027 11016 10901 11762 12265 12060 13291 12795 12532 12382 11546 12577 11396 11977 12506 Gln-Gly 2532 1429 2817 38249 39136 37827 37198 40595 33323 38851 40713 38788 37395 40027 38896 37774 39487 39255 39110 40639 38691 38089 39663 38333 38618 37785 39432 32076 35786 37787 35154 40940 40241 41223 30300 28777 32117 40254 33952 38560 37647 25530 24798 40465 28635 38944 20941 37034 28382 24014 37311 40584 41272 39631 41151 39458 40966 37537 39135 38219 36107 38746 37887 931 347 1385 26287 27236 24369 25639 23753 26260 27420 26650 27486 25170 26728 26960 25832 24562 24633 24450 21662 24913 24831 23989 23667 24660 22680 24341 23943 24947 23345 23201 25265 22804 22858 22803 23299 22928 22247 23300 25112 25146 24062 22544 23806 24984 26154 23597 23981 23093 24159 26763 22717 23984 24101 18382 21405 24192 22254 24323 25571 17913 16438 8188 7726 7315 16330 17483 6225 7612 16084 17453 5906 16730 16910 16330 3966 16312 1692 5267 1374 13732 852 18035 15757 16162 6314 15712 17819 17217 16264 17104 18049 17226 17031 17368 15410 16703 16992 12072 13450 2617 17299 14693 4239 15652 3210 12704 15313 15128 15440 16723 16602 18116 18693 15602 17974 16986 14915 17124 15317 16065 14200 Gly-Gln 1074 327 1195 154066 159653 154662 155745 158506 132656 153300 160737 150820 150507 154196 155189 155505 162576 157699 158671 159322 153666 153487 160550 153744 158624 156235 163629 122566 141179 148362 126975 149915 151027 150633 99769 99515 110343 152167 122956 152184 149056 95935 98461 155848 109240 152382 71736 168505 109324 93560 151502 162403 157317 157200 156483 160080 158864 142764 157485 148903 147388 153468 145674 67492 65214 100292 39327 40946 39574 40509 37816 40433 40680 40876 42466 40931 39374 40567 40667 40015 40448 39247 40276 38190 39747 39708 40142 40066 38806 37800 38590 38305 37312 37342 36808 36618 37416 36066 37735 36516 36441 15314 16802 31670 40529 38035 39014 30708 32895 38871 38968 39305 18440 40208 26858 40467 40347 17933 26346 41009 27482 39395 39908 17612 17407 5339 6306 1218 12760 12341 778 5894 11189 12010 1177 11208 13367 11982 4997 11199 2613 5951 2998 9732 1310 12459 12079 10709 6298 10363 10395 11157 10356 10822 13277 9940 10242 11009 10108 10069 10344 10776 11925 11053 11633 10213 11152 10410 11469 11473 11433 9829 10363 11322 12165 11829 11859 10599 12757 12250 10714 11165 10542 10864 9922 Lys-Gly 9053 6329 9482 113106 111937 108068 115143 113922 80816 108786 118454 101482 104258 113964 109826 104003 114969 111793 113472 109350 99595 104937 113130 106339 109855 107915 113886 96483 89101 92985 93284 106211 104928 103825 81793 80762 87055 98901 94115 99185 93827 74407 75540 103670 80434 103464 62127 98768 82063 75697 104329 111015 104594 110079 107939 113187 115516 94013 108599 98570 95035 104569 99770 119357 125398 122359 89552 96349 93372 94574 78032 87460 90855 89131 91410 90141 85002 85610 89094 88657 84806 81769 89510 80053 85707 84228 86758 84070 82507 79965 75496 78863 81139 82180 79640 77804 81180 75686 75786 77855 75979 18612 19340 33514 80169 76142 79892 32741 34721 78255 76247 79457 21541 80232 52320 81900 79752 35640 50784 81155 53255 73813 79049 34304 32114 4731 4214 2747 32875 36671 1170 4530 30198 30075 1506 31458 38572 32406 8309 32023 3711 10148 4752 23432 3003 28709 30943 28588 11017 30570 30196 28843 28227 29386 39853 29602 28858 30921 26546 25501 27894 27694 29850 24428 31513 25549 27087 23739 26671 29325 24689 23754 26344 28319 32221 28883 35168 24326 33540 34172 27426 30256 29709 27916 22077 Glu-Gly 13455 11749 16376 711766 732614 702531 723806 738640 635724 717895 746765 711952 717670 731684 719827 717990 757664 740727 747754 730846 709599 726738 737905 715534 732491 727768 741228 456598 658990 683184 484389 716146 709857 704210 267825 303330 353418 706746 434171 708439 637512 161986 168350 642048 228224 653498 92373 731156 231261 154415 707386 723147 730791 715849 753273 739015 746381 678493 726039 695785 690681 715959 691897 442130 434087 606524 128333 126957 120583 120441 111970 123286 126978 126573 129029 125991 123754 122568 116970 115095 116903 114170 114519 111409 113915 114661 112689 113122 110622 117312 107885 114347 106386 113183 110055 110308 108634 109304 106431 109073 108537 56545 64553 107495 113133 120807 115186 102408 107845 118736 110800 112757 66874 123638 98291 116364 116823 68210 95868 117352 98859 119772 121255 67922 65143 10170 9922 3605 10253 11403 2739 9466 9744 10753 3924 10608 12574 11759 9052 10774 6057 9136 6483 10097 4909 11976 10732 10869 10117 9614 9484 9644 9110 9489 10262 9317 9452 9659 8873 9880 9499 10020 11007 9988 10934 9603 10775 9484 10950 11573 9681 8797 9642 10806 12314 11089 12062 10861 11748 12201 9559 11957 10392 10110 8804 Ser-Val 2240 3208 2616 158284 166572 159473 164097 163632 143849 164706 168523 156730 160839 159790 160135 156033 160067 157756 156322 158800 152039 157381 157445 154220 160391 159664 164259 140208 151770 152482 141065 156443 157896 158425 119954 122263 128995 162230 136653 156741 146470 85294 92081 143602 89795 142386 76018 164347 90567 84891 158332 168346 169984 166551 165491 172156 168173 156322 164032 158945 159489 167180 159946 3531 3120 3841 188404 145372 106326 105029 101266 142179 188402 106073 188560 105888 105121 132426 104569 96878 104953 104018 92915 103070 102719 99665 95064 100548 99983 98324 93505 102694 99055 95963 96315 95581 95749 92463 95371 94034 92738 49053 54346 80404 101755 95133 97307 77466 83529 99669 103518 102855 58520 103952 70181 104556 101361 44708 66333 105795 74786 98008 100885 41042 41955 53679 53330 33025 63820 64470 33284 53588 64966 66839 35020 66108 61360 56540 9578 64426 3848 12853 4240 52072 2803 66580 55010 65743 11694 62640 61173 58445 58259 60329 50087 63824 60416 59835 59436 67046 64017 70737 73003 64685 64950 77074 69711 71392 62931 77195 76171 78582 73432 75016 74362 76926 67714 78045 68021 69797 77222 74485 81630 77374 74061 Val-Ser 1167 1498 1749 156588 159317 156868 154937 157769 141105 150822 158439 156030 155999 154206 153417 161655 165546 159954 166027 160552 155667 157135 163684 156508 161711 162985 156711 157451 148981 151568 152368 152184 148600 150180 160805 154372 158967 150900 154722 147066 143664 186971 184521 149833 176524 150819 204433 145873 179665 200106 157494 158956 156011 157047 155048 156952 162935 153378 156259 150386 154571 159072 155755 644 722 330 100069 102633 99290 98719 94870 99076 98089 100253 102129 95654 95467 96811 94742 94295 95377 92809 94050 96382 94045 95169 95034 94662 96692 96132 94218 96213 96954 96528 98491 97637 97876 95335 97985 96752 98481 101034 100826 102195 100464 98069 98052 102678 101409 100389 94818 98156 98131 99695 82405 95765 98519 41152 71325 92420 81253 95182 94080 36455 33588 24602 21123 16073 35660 40300 14916 24365 39335 39381 13752 38562 41948 26204 2235 40312 1730 3544 1576 17783 995 38223 26307 36016 2902 40159 39361 41247 40132 39742 43758 39977 41814 40848 41422 39278 42967 30817 32209 11870 39574 39316 18788 41801 13832 35565 38770 41272 41460 41475 41798 43485 40929 41231 42914 43816 41247 41871 41008 40315 41698 Thr-Ser 1717 1933 1224 105676 112950 104255 109608 110636 94315 106910 109661 106891 108890 109085 106603 106843 109378 107595 106820 108420 102656 104166 108919 105516 110231 106298 107388 104551 100421 104021 102227 108916 108706 108727 97487 98582 100362 107830 102988 103887 99428 92558 93470 101362 92089 101678 85200 104303 95698 96794 106408 113648 112797 110655 114384 113074 115383 107218 111548 108663 105250 110583 105465 3362 2983 2797 106428 107367 96302 99447 92046 104123 101901 105750 108660 104209 103902 103553 97788 90318 98256 95851 85439 95868 97081 93286 90917 93917 95653 95488 91547 90832 92295 97090 91033 90763 92165 92850 91760 92487 91971 55741 59036 84880 96703 92486 93382 84791 86859 97733 92840 95510 61210 94468 69950 96897 95331 48535 64040 96182 67228 91324 96114 42947 47402 41612 37992 17563 63321 64280 15983 41497 61744 61336 16715 57877 70945 59796 20812 60618 12019 24041 12341 45233 8764 69938 57849 59041 25366 58769 60923 59951 56981 59775 68563 60983 61836 61101 58343 60133 60264 50375 57518 21652 61149 58891 32229 57000 24492 57529 61379 55987 58335 63711 67728 68386 68749 61616 67943 69001 58195 65049 61737 61417 56488 Pro-Pro 89972 41334 94951 214009 224913 150592 211482 227835 145949 216065 216206 219988 141479 222625 205361 120101 120455 123209 123765 121016 118515 117917 121294 121210 121887 123930 126339 283176 152242 168924 306361 309215 303447 276487 327548 289282 311063 160826 319911 136073 223893 365697 331172 261011 391943 262138 309106 128524 381815 366829 140836 175904 180189 172581 138665 177567 177785 136438 174912 125066 125005 140077 125450 99501 84236 112523 320932 303076 293726 290970 289987 301128 326606 291949 320017 289313 291081 303031 356330 534703 306123 302522 634333 306938 376875 348602 569878 375860 367725 290110 294973 291940 292362 300361 296015 302547 297671 295907 298622 288940 289680 1494710 1478020 931482 319512 453853 455685 951733 977325 456009 316762 305882 1584566 340604 499660 298256 306326 571625 500378 316208 428179 356431 338038 526543 559230 2523171 2740747 5569777 657700 629147 5850067 2597328 284837 283477 5830307 292675 614642 375051 381329 264251 349671 425930 373107 398334 389039 270744 371511 292666 426817 268955 255078 268980 264689 267362 270024 274902 264142 263966 263848 262391 258643 780781 750490 1652189 372507 365687 1255636 273259 1476729 689761 380817 270172 267422 247337 245064 249292 255877 235881 249695 250420 246377 243626 233416 242164 246360 Val-Pro 21945 15331 20531 1638319 1712445 1564026 1628606 1712901 1463974 1652293 1676394 1669998 1554457 1695856 1625252 1555046 1602958 1588166 1624081 1596936 1550366 1562168 1602007 1574554 1645699 1620394 1644008 1850430 1540284 1577620 1884346 1911934 1869253 1826875 1997372 1845727 1915075 1629376 1982712 1556394 1481808 1687974 1611712 1574794 1726958 1544561 1607637 1492166 1716474 1735610 1592580 1743107 1753930 1723286 1616995 1721491 1736749 1563287 1718386 1512073 1491229 1629417 1520042 765461 674295 912589 1079220 1079189 1038663 1043427 974583 1001561 1048263 1000003 1061731 1005490 978884 1008022 1182963 2936649 1013400 1025299 4738085 1010192 1374173 1137009 3482255 1352912 1288532 967064 954775 966563 955353 954696 953820 949487 950069 930991 923186 941037 932095 11203576 10885304 6619772 983674 1659602 1649031 7015234 6989976 1701198 1002742 996133 11452066 1055829 1895977 992671 985214 3039799 1941033 984002 1527823 1032904 1034603 2655115 3126227 4324301 4452695 5816012 1006677 1100298 5637241 4385517 881094 892235 5597350 888162 1125861 886283 1359441 886782 1994173 1323856 1913923 799196 2588763 875203 850562 844798 1274575 866625 867169 883585 847567 850592 933020 871541 889554 901641 871252 840288 882855 1602054 1484941 4520637 949614 906401 3637691 890230 4527795 1405805 920147 892857 883398 861026 889087 884765 889105 879490 896393 861234 855247 872758 865893 870518 879369 Pro-Thr 29926 20411 35353 108578 108336 106569 109650 109477 101280 108952 108746 105096 105259 106979 107588 100799 101913 98424 97910 98380 95569 98293 101100 98123 101115 99506 99943 106407 98397 99846 105607 109932 107693 107772 104797 103370 105089 100707 108055 103458 82335 86698 86064 88725 90724 95995 89354 101285 92330 85936 101527 129940 131679 131930 126825 129148 129695 119953 128100 104570 106761 121569 106566 7436 5289 6161 351098 326212 306772 307599 295783 330715 359285 311400 349714 305025 303306 325230 298654 298800 305778 292438 304391 295326 292474 294665 299385 287836 289588 288350 287052 291779 285499 283485 292006 284026 285844 278779 286075 285833 275879 312518 317660 302675 285191 292762 295904 309938 316994 290277 287054 290299 321155 258112 143252 289722 290042 74387 131914 289192 148519 243601 255625 67884 70977 173324 170881 188217 167401 158501 202174 178930 162891 163639 205297 162441 166857 100446 15941 163445 15065 20630 15475 86993 13862 167509 105907 171514 22674 164971 168353 169167 164512 173971 184034 164189 165278 171261 163904 164179 161663 162306 160104 156135 170362 161741 158929 174409 156586 157278 164584 162803 166429 157889 171703 171420 178024 167449 174079 170349 154675 162459 154034 160417 163283 Gln-Ala 1970 683 1939 135392 143950 137290 143239 143036 126046 136906 142637 135598 140418 141319 138960 132438 135495 137055 139992 135780 130918 136096 137231 137119 135617 140239 138281 126448 128588 133851 127453 136176 133386 132517 117369 116280 121509 136910 125318 138782 135985 115218 115319 136305 118815 136383 100136 133397 118259 118806 137137 147331 147184 147373 148539 146269 147593 140680 144183 136898 136261 142066 139468 1254 846 3116 618885 619003 597477 602140 559287 589019 608102 600194 617071 600083 595455 590515 584650 524262 592691 578073 457581 594087 575424 580281 519229 576582 572194 596715 582930 594637 587693 590948 601437 583109 583980 569621 587577 594988 566407 325464 352486 522057 601889 568475 578333 502658 535499 580765 583495 597499 354582 606613 511300 610710 610713 394713 496004 614841 511473 591495 610470 376294 373749 42007 39475 14486 77804 74782 13878 41303 75486 76209 13767 74133 78977 78104 29559 76761 16761 36630 17516 68640 8695 79268 76442 77716 41280 71577 75485 74778 73209 75018 85822 75098 74345 75897 72455 72344 72751 57145 59781 8250 78219 76020 19137 77315 10593 64119 73001 75591 75356 76290 80219 79936 83227 77172 84193 83952 76233 80626 75596 78553 76187 Ala-Lys 15793 14532 15747 369371 378731 357122 383564 380490 297521 369460 390405 355004 365068 376439 377097 360758 385900 387925 385083 378193 357810 365654 384499 367945 378436 382450 391546 322438 327255 344320 315253 358352 351170 359966 281940 285445 304654 363369 314224 357151 299762 270125 262134 328420 266574 325701 252633 350022 275484 274807 365827 391326 383637 386380 399705 398280 407155 360787 395474 364439 357797 376323 364486 203335 188657 250292 469229 494659 460177 470559 409232 455608 463285 455938 456717 449596 430836 439078 448974 434192 434384 421295 449592 415161 433753 424518 439961 425269 423301 405977 390599 403906 404302 410647 402621 395882 407731 386817 393548 396621 392720 215175 215655 271265 415607 400708 412336 264495 285615 412096 411539 416849 235596 386400 262345 432404 437397 199069 257759 436980 275664 372311 400909 178107 185673 81451 69705 42616 288890 304486 36869 80257 251509 261428 38531 258090 307841 192425 23907 255591 15298 26231 14796 112088 13631 266401 181546 237604 29082 243434 239127 240944 233037 246685 298387 246296 239571 246301 225079 231146 239993 205207 235940 107289 244405 220247 152118 212822 124095 233724 220611 207367 226635 247884 272215 259037 278524 221231 268565 267188 224583 243153 238079 233712 202707 Glu-Ala 3012 3596 4142 150738 149864 152194 144931 148390 136007 148953 154594 150675 153257 149563 148810 154005 159588 156902 160614 156712 152346 147709 156838 153195 157571 157722 156667 149357 143722 147438 151542 151199 152284 152758 138416 136834 149538 147183 150174 148792 148592 103580 102517 153058 111979 147639 85960 146528 114963 102590 153711 121937 124838 124805 122996 123107 125865 117758 121716 146526 142640 122773 150314 1880 1860 8038 108537 110831 127486 128408 120729 104814 107911 100503 108501 96739 97176 101203 120692 98403 120198 120395 90897 122290 110103 117980 95628 112191 111580 121133 123342 123498 121194 120511 117670 121588 122758 121432 120029 121167 119305 103131 104575 121267 125721 123628 123599 118662 119794 124729 121507 124892 107800 132512 114632 124649 121280 81261 106612 124565 114054 124754 124621 78388 79715 40438 39757 22254 26987 30528 21757 42409 28263 28311 21789 30170 32272 34425 21950 30808 14446 27262 15485 29693 9150 30947 32811 26396 27709 28508 29824 28782 28092 28244 31298 29173 29038 29352 28558 27290 29290 25487 28634 20355 29697 28042 22851 29764 21276 30139 29307 30309 29568 27438 27267 30568 29887 29659 29157 29937 29787 29430 27621 29897 25447 Ser-Ile 273 123 93 128243 124710 127948 126916 125676 127550 128022 127668 132197 128523 125294 125442 122877 125138 119799 117303 121655 118523 116991 116767 117791 116623 119674 118354 108268 122257 122772 111951 123799 122828 125080 95857 97197 100421 120757 107037 120532 112781 68470 76565 111961 76756 113295 65595 121278 79527 71058 120147 131729 130693 127607 124930 124893 124620 119363 122048 116881 120313 120644 118023 387 405 325 1009658 981213 999692 974281 989165 1007730 985053 999732 1004088 1003587 1010941 993978 965820 938163 968074 971036 898249 984229 979334 954051 916537 958438 960642 959225 1016300 962631 968943 1010777 960840 985799 955031 986591 968028 956469 955365 523926 593578 879222 991615 991699 976570 843326 829429 980624 997444 1008187 565955 877722 297729 977645 948743 70173 253740 952995 380654 849284 875993 60765 59544 142387 132185 60622 209845 212592 57149 137201 209919 209175 59462 209308 214465 151666 14038 214211 9406 14679 11284 110936 10305 206928 147941 202033 15837 214457 215016 214438 207748 217034 218434 212420 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208555 522477 523917 118557 191837 514961 244148 449437 482366 111711 114287 243420 222814 159550 326516 326412 148750 233484 342195 339213 135829 335080 334849 204463 21903 336240 14845 20927 15226 142827 12997 321703 208966 336033 20048 329899 334939 343627 328631 340221 351208 332589 335762 346931 337500 323391 330023 280276 284782 174428 333044 321690 209511 331346 184059 295202 316534 326879 330866 330702 328562 331350 336093 329232 334774 323098 330983 331188 324509 327718 332641 Ser-Asn 65 202 12266 12960 12681 12922 12466 10368 12551 12090 12162 11533 12147 12540 11812 11846 12454 12275 12351 12064 12220 12310 12875 12828 12940 13640 10254 10201 11041 10622 11766 11146 11609 8264 8013 8500 11328 9937 12624 11053 7555 8147 11274 8210 11487 5543 11348 8276 7546 10718 11728 11951 11082 10878 11540 11493 9732 10569 10137 10066 10650 10234 321 580 666 13170 13772 13495 13395 11687 13741 13395 12991 13101 13300 14954 13426 13624 12116 14632 12898 11202 13118 12675 13813 12025 12534 11713 12620 12153 12451 12554 11798 11762 10380 11535 10506 11103 11649 10703 5023 5600 9105 12682 11474 11982 9647 10698 13414 13712 13402 7198 15088 12580 15792 17414 8092 11499 16134 13541 17130 16987 8488 8354 4930 3772 516 8501 9307 894 4376 8426 9158 812 8372 9212 8837 1962 8819 358 3203 992 6391 538 10257 8583 8706 3438 8454 8615 8494 8294 8845 11128 8709 8552 8464 8292 9120 8880 5184 7062 1801 8194 8001 2834 7703 2313 7642 7695 7384 8064 8677 10062 8946 9309 8427 8804 9152 8877 8749 8373 8640 7068 Ala-Met 60671 64797 62291 63916 63890 58405 63348 62992 61231 63914 63768 63737 61376 65737 63456 65846 64077 61988 60148 64447 62322 64359 64450 64082 57929 61157 61296 60004 63550 62089 63336 53679 55246 56664 68413 59764 68066 59019 37597 39066 59143 38931 58188 31450 65431 38818 35190 65202 63750 61867 63646 59158 63810 62033 56411 61693 63237 60071 59743 64395 405 500 875 121278 122021 112956 108144 102888 117650 121571 106365 117766 107019 107077 111152 110130 84971 113024 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2134 2745 73399 78457 78134 76393 78612 70533 74706 78079 75096 75492 77300 75577 77500 77583 76826 77588 77070 71882 74926 74489 76798 73491 75208 75849 71225 71890 73131 72707 72509 73419 74457 68678 65134 68548 73982 72809 71596 75516 37084 40462 76270 43566 75167 30172 73685 46268 41683 74428 83715 85067 81438 78696 82569 81065 77258 82418 74067 72836 79926 74684 29406 27469 33946 113272 108142 101213 103417 102152 105068 111268 107283 113020 102334 104088 104348 102172 102483 100475 98065 96121 100893 100562 97694 101837 100009 98670 102458 101454 102043 102349 102037 103704 102056 101773 101946 97603 99079 102074 56523 63371 90932 101886 99073 103509 87958 92657 103037 100114 102583 65169 98556 55416 101623 102419 26990 51832 101646 59549 93995 98093 25679 25932 24333 24275 7439 39587 40458 8422 25243 40966 41630 8275 40803 43337 35922 7298 40014 3419 8342 2720 27230 2587 38200 34275 36739 7898 39088 38547 40041 38505 38403 42177 39174 39418 40836 40857 38100 39692 33744 34378 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197695 32748 194417 193376 197216 192315 188793 205722 197318 201063 199508 198515 184238 197695 162071 171179 72384 214626 211475 101774 214778 79505 186676 202140 213189 208762 207126 219561 217074 222078 207114 228163 222677 206080 219280 212643 215670 216294 Val-Gln 10062 10375 12133 339566 350896 336397 339985 349337 307311 336148 341520 334668 338181 344851 345508 352372 365080 365869 362851 359130 350524 365205 366306 363624 366611 367563 365936 369302 341277 352762 369459 366483 364178 369308 383891 377475 374997 355785 384207 355887 358509 447377 438106 367018 421309 361516 452903 347437 433691 458344 354387 425388 408086 409464 396272 403352 412395 379426 408815 358035 349089 389725 349967 555 2141 5107 578463 594431 575347 582252 546910 599154 594155 583396 590298 598125 586545 590648 572247 544761 582567 574792 510899 573654 558229 571880 529795 569565 560570 573949 570748 585095 565887 569386 567216 557157 569455 554676 557078 558018 549986 449800 470531 537271 554399 550301 553253 528653 554436 568613 568255 562802 461323 563790 360929 581912 566160 170203 341502 575027 394208 546100 574073 149437 153145 49306 43063 18672 91157 89874 18523 48142 90076 87778 15811 88918 92819 69628 4003 91278 3250 5694 2269 55311 1606 88787 72750 92162 6837 90004 91883 89531 90603 90977 95775 90205 86940 91214 91944 87833 89607 71095 71439 19434 89687 85028 36317 85970 24436 74770 84016 86746 89366 85405 87393 90772 93216 88170 92476 89209 86096 86882 85098 87956 88454 Arg-Ala 6041 4912 6300 496705 496352 472008 504616 514781 399120 493224 509981 473096 488117 509706 504713 489812 508859 512176 504917 511392 489447 503944 518139 510066 526694 506454 523823 371107 456098 466959 372818 474646 480690 472911 288561 287362 292861 495089 378503 493328 400573 473664 469154 427985 449526 429893 454331 478106 460482 483975 490690 510562 503113 514846 523452 520915 534576 473437 515796 487879 470932 503280 480260 146590 151299 226135 337239 357859 338147 343525 300557 330297 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535583 408709 435785 453841 508064 480177 501145 396075 250128 278888 382822 248230 394446 215984 530769 259147 231401 509523 603464 599031 595642 595089 578950 575054 541983 592861 525513 507404 576265 536710 61262 65184 130107 861302 827797 809817 786800 753858 837973 856908 815185 871211 830768 787433 837754 772204 828226 806936 756349 874323 788207 814209 771861 797035 794512 821982 794749 761717 798842 759492 752019 786485 737082 728204 768374 759461 753020 741463 80535 91934 430942 804028 766114 784655 378257 441948 796182 774261 772926 98258 658785 226842 778905 802177 78587 201893 793994 288995 617161 668902 66924 71567 66574 70223 28754 654789 685736 27824 71176 679407 713968 25620 728474 714547 471174 36159 730508 19282 36267 21448 309501 19783 730632 488020 713432 36594 704153 727860 682962 691070 713375 828238 709330 690564 717795 708765 692391 697709 655625 674928 556489 703305 667088 631889 676522 609929 663758 670067 665367 677660 687073 697670 675766 701475 690976 718174 673235 694129 665670 666209 704042 654065 Val-Lys 18362 15200 15962 739084 759133 727806 773165 766724 703258 758007 783829 743715 774643 772728 773679 758971 775677 779857 784513 784816 779377 764145 774367 799357 775801 750223 785681 748489 741142 768021 739911 781697 780383 774083 753406 727422 747099 771221 761240 782181 649586 715655 693318 728990 690408 712092 734563 729679 711945 743173 766614 761502 786814 779831 771810 790940 794247 750298 772658 754252 760191 772760 769112 476228 378727 454300 1595304 1706812 1526134 1580138 1471867 1584528 1602617 1589640 1633717 1559932 1558664 1614014 1578540 1601753 1553827 1535618 1581432 1520061 1587915 1568152 1628853 1568462 1514562 1496605 1507200 1499383 1520493 1485657 1480069 1497060 1524223 1443234 1442198 1484645 1470056 1716210 1724977 1531786 1503417 1520751 1496841 1570630 1596601 1493726 1464284 1487735 1801688 1388700 535893 1548418 1514622 143037 462395 1533695 659184 1338716 1430941 120622 122597 536437 524789 469246 566298 565480 433844 533642 553675 545919 425500 529032 598416 363025 22947 527602 15827 23047 17436 211994 14157 510648 350055 532081 22813 537773 534684 533743 510506 547945 575912 532741 543477 542735 512830 508509 521816 534921 530138 467948 561323 522408 519036 531294 506798 524224 532598 530054 552558 539974 512904 518375 532115 525828 531299 534098 511543 522764 535944 525151 514455 Val-Glu 39974 40916 45535 468334 466373 473847 470709 475434 432434 475980 476025 468144 484199 459670 467267 458042 481169 466867 473097 487474 457590 470220 477686 468272 480977 479797 479873 475897 444196 456813 464070 474411 464868 484122 468016 467041 479971 482438 479754 482407 469703 437382 426898 456938 411867 462541 420348 466546 417615 429758 469882 335011 338498 335158 325998 343741 340261 305321 333086 441834 451180 323900 467349 14154 27174 51727 383562 388410 456074 453009 427771 380746 385581 369945 389851 373616 363321 362848 447031 409691 457862 458178 400577 450385 422192 437902 409292 421474 422685 438256 417479 439054 431852 425707 436184 412015 425896 407297 422195 419395 419115 398218 387174 396483 441791 425747 429079 404358 419297 431035 431155 446572 403677 438072 270021 444608 443539 148910 254360 448629 297313 426221 430907 136628 138444 136981 122337 122860 152568 150276 126096 130530 154532 149425 122702 157155 149914 142101 87588 154651 62373 86839 61882 149489 57930 164120 148067 163028 87783 150510 149306 146534 145655 147585 136199 154570 148689 147644 147157 160955 149287 154733 150092 122562 149789 173870 100552 165716 119898 138022 172653 181268 167967 94088 101189 104700 108773 177738 106255 108207 173660 105663 98115 176977 98732 Thr-Gln 861 391 971 145510 150699 146269 148511 145958 130627 141854 149996 142245 147040 145167 146521 145200 149719 145252 150779 147303 142191 143666 149151 145019 150670 148353 154966 146392 137735 145136 147640 151363 151891 150007 151666 149338 153604 149530 151634 149624 150598 182542 171027 152984 169343 159411 177192 150765 176684 181026 156148 156920 154004 154214 159314 155526 159490 143124 153507 151573 152458 154299 151737 1509 986 8421 568522 571087 526833 550834 497064 558855 553902 552384 565625 558891 545180 556546 525822 498110 539495 519803 467655 518038 518805 535716 487529 510465 511399 522632 518162 503869 517425 497974 516417 501992 505746 495669 500380 501212 477760 337591 363447 469694 500693 487406 519604 476644 499120 505431 503054 519687 366438 517800 342213 525360 534031 166356 311040 518909 358486 483768 515341 143889 140775 59959 58987 49804 60400 57681 46507 58625 52632 52019 44942 51469 59383 52605 16352 53793 8358 15899 9502 46441 6136 57910 51386 54136 18388 52948 53815 54770 52506 54588 60507 53989 52885 53953 52067 52719 50186 51989 53165 41852 58369 55161 46043 54301 43248 54627 52199 51814 53436 53863 55532 53965 56805 51733 57132 57297 52195 55418 49945 51916 50714 Thr-Lys 2815 2067 2450 288212 299829 277965 291177 299365 230008 280992 298515 268960 283505 294328 290680 280865 302481 295895 292960 291960 281533 286208 294320 288069 300898 287848 302115 292562 255115 266933 283419 289199 284826 289360 282389 281046 279743 276058 295185 275644 239219 270927 267347 264339 257510 263007 258144 261203 270891 275963 277242 288908 284315 290312 292601 292161 297977 265154 286713 271760 264010 281044 273777 192736 178734 189316 251734 267819 256777 265285 227564 246135 247142 257467 254490 256978 248805 241594 260897 253396 260108 245442 265353 239997 253574 247903 255312 250688 240064 242727 228839 239405 236614 236730 234270 230956 231529 219094 227359 231400 226458 161628 158312 193954 237378 234188 236326 190180 204741 243139 234503 240495 176298 226872 100779 251720 246836 31173 83993 243539 116088 209067 233664 25608 27207 94556 80758 45436 223844 239794 40267 89735 207719 207246 35963 202406 247724 157690 13573 206112 7833 13156 6004 90287 7470 202768 152318 186266 15565 200535 197446 189504 184498 197807 247014 200105 188953 203636 181779 179570 186121 182017 188810 118833 199329 181564 155485 167700 141598 195883 170465 159554 176433 193962 214754 199492 225127 165612 205381 199743 176538 190322 184987 183749 156278 Thr-Glu 307 89 116 35920 37491 34746 36857 37891 32960 34513 37163 36761 36736 36533 36966 36899 37764 37871 38727 37237 36732 38064 38891 38110 38923 36602 38459 37743 36038 37250 38442 38325 37360 38639 41798 39746 39869 39187 40033 37687 36934 44262 43367 37756 42889 37720 44523 35992 42592 44426 37824 38439 38406 39514 37016 38475 40048 36406 38025 35035 35118 38196 38585 2239 2378 5235 123834 124253 120221 123122 115539 125145 122824 120922 126213 122717 118856 120852 119741 120233 122848 117143 118714 116400 121537 122201 123147 120794 122582 121442 116923 121586 123286 123865 121552 121689 125089 120845 123472 126965 123621 121286 129499 125392 127479 119661 121633 127856 123610 123836 120124 123404 119425 120156 56292 120844 116906 18212 50199 114871 66120 108475 117600 13263 13289 8331 9308 9826 5459 6398 8881 8113 5515 5466 10038 5367 6359 6103 457 5754 389 901 364 4034 439 6164 5288 5446 214 5409 5424 5881 5347 5448 6870 5498 5491 6248 5771 5014 5665 5720 5954 6435 5674 5040 6188 5419 6123 5769 5165 4556 4751 5282 6257 6464 6365 5430 6141 7183 5734 5349 5387 6152 6176 Glu-Thr 19349 18353 20959 17506 18134 17411 21210 20147 21082 20800 19562 19180 21465 23208 22223 23721 23314 23923 23078 24390 22350 23535 23647 23774 21238 21121 22766 22223 21874 21435 21171 20264 20210 20573 21619 20799 21909 20731 7518 8960 20376 10315 20380 5234 21265 10101 7466 21293 387 131 19165 19635 233 19905 1263 2579 10841 9663 9376 1895 2191 1607 1736 1682 2455 2301 10205 6353 10269 10458 5043 10484 7999 10989 6219 6381 8450 10186 9045 9660 10060 10125 10149 10449 9218 10903 9200 10211 9322 7084 8172 9192 11017 9937 8890 8768 8623 8691 9443 9673 6962 10794 5957 10468 10800 2609 5055 9146 4816 9248 9638 2155 2479 5474 5296 2825 6990 8453 2824 6302 6983 7010 2522 7423 7945 7520 3569 7684 866 3837 982 6837 922 8319 6670 7691 3881 7028 7697 8028 7717 7965 8786 7998 8536 8144 7956 8070 7812 5317 5880 1079 7779 7186 147 7342 1162 4641 7282 8497 8187 8409 8454 80 225 8700 127 Met-Val 175 106 287 98266 97278 98086 97304 96105 89988 100304 101387 97149 105689 95216 100586 96446 109224 104749 106287 105559 105026 109707 116144 112316 110792 112345 113656 96796 93479 103298 96453 105787 104935 109295 99896 96294 94780 107875 102283 107336 68502 41471 45014 88059 41785 79858 35185 109965 45629 39913 115344 115731 118023 116294 122223 114812 117642 109863 115562 114713 112511 118524 114986 60 67 53 34963 31397 28270 28582 26899 30526 34885 27779 34110 28736 28422 29310 28086 22663 30418 29869 16715 27599 25466 28720 20877 25376 26572 29252 27230 30151 27746 29384 28101 26594 29263 28526 28467 28446 27119 1783 1998 15770 32461 27332 25692 11136 13562 28382 28551 30375 1412 18480 301 30322 30100 176 72 32833 26 15376 19739 284 140 903 352 929 27402 26896 515 685 30860 30920 506 33724 28750 4866 235 33458 351 207 460 329 1491 32551 4664 31144 413 34147 33971 32884 31436 33538 35940 32634 31084 32709 32559 32402 32332 15468 17818 532 31298 30999 2040 31939 715 18740 30128 31321 31287 29480 25220 25074 22909 30202 23109 21619 30393 29319 29793 30605 29941 Val-Met 9794 9803 10039 277570 287116 275189 274133 271311 229205 279417 282102 273729 291954 282205 280428 281828 306340 301512 314048 306678 291399 313388 318353 306125 317488 313205 323527 318950 267447 296849 315282 332446 320315 311763 352987 334545 335835 306171 339304 311912 276013 414600 406415 305407 352987 302184 474826 313899 396373 430127 319078 335666 340115 332720 313678 328858 340953 293403 334473 306218 293047 301731 312263 4249 3047 8401 1217908 1295987 1191015 1203635 1101696 1299695 1297733 1184064 1281814 1181996 1184521 1216370 1090505 1089852 1160015 1091106 1043006 1126164 1095059 1124949 1061882 1108628 1085505 1171065 1111496 1165203 1110982 1110334 1109343 1120766 1105854 1114528 1138698 1123706 1121239 1559479 1472244 1175706 1164164 1129760 1106954 1187280 1220997 1057329 1103847 1088339 1642433 1001345 136034 1176812 1149126 62301 119210 1229910 192900 927814 1054226 60909 62346 343051 289371 61988 87195 83324 54258 321574 78558 79264 52212 77880 85203 39097 11026 77217 10437 7236 10839 19778 11743 74032 38105 72134 7329 70568 73658 69506 69747 72265 75499 65491 65975 68133 64129 61814 62704 53539 51111 36246 63325 56542 34143 61634 34517 52784 57312 59003 55800 55597 52258 54918 54174 57050 54666 54938 57753 57892 55141 57077 57907 Thr-Met 1002 488 640 610 423 542 588 702 311 920 386 912 420 1461 570 1112 223 376 728 568 681 502 115 491 558 310 467 319 180 1076 405 578 391 738 608 247 381 344 921 1349 908 1279 736 1602 211 994 1416 716 606 525 755 864 810 894 1104 820 350 218 810 357 14698 14676 14539 16274 13869 14700 15541 14550 14744 14365 14430 13506 13434 10701 14289 13234 9771 14629 14080 12140 11690 13403 13305 13997 13819 14825 14085 14733 15675 14732 14682 13940 15340 16397 15589 3950 5047 10790 15340 15474 14407 11701 11463 15190 13819 16106 4921 12524 136 16944 17575 291 16263 622 11830 13083 1117 570 134 5971 5314 660 7138 6748 289 6839 5802 1970 568 7340 124 626 1301 525 6791 1743 6601 8106 6935 8445 6497 7260 8041 7481 8446 7869 7322 7093 7062 2963 4283 165 6327 5841 618 6630 925 3762 5737 5418 6406 5709 6253 7191 5549 7320 6202 6332 6787 7056 5928 7596 6256 Met-Thr 7306 9053 7802 8034 8032 6923 8134 7348 7878 8106 7671 7775 7946 7463 8019 8076 8692 8529 8509 9030 8532 8144 8481 8512 7269 7562 8002 8363 8706 7344 8682 7263 7437 7797 8566 8254 8322 7416 4616 4625 7301 4706 5892 4394 7776 4191 3814 7711 7426 7856 6442 7715 6634 7683 6340 7189 7660 7989 7426 7457 6 13 4239 3471 5128 4112 5077 4320 3294 4044 4757 3825 4363 4641 4200 3952 5327 4484 1817 5238 4704 4184 1713 2934 4708 4080 4085 4017 3960 3249 3264 3524 3077 3616 2353 2621 3188 928 374 1595 3086 3298 3533 938 1163 3116 4264 3550 183 3245 530 4111 3940 163 3569 682 2738 3823 278 24 52 36 4125 4368 75 5391 5481 5303 3035 1276 149 6021 176 5903 1181 5592 106 5440 6144 4981 5544 6364 5390 5148 5178 6201 4705 5330 6388 1862 1600 157 4397 4837 135 6153 81 2793 4754 5439 6278 5647 7445 6004 6226 5890 5660 5437 5510 5248 5761 4869 5236 Ser-Phe 1462 1028 1767 322904 344094 321492 327921 330382 279031 318062 328590 323858 325137 327900 318310 313286 334754 323042 327592 328105 309730 324880 330451 318135 329166 325376 331684 138305 295426 310963 159909 313192 312260 302260 58535 71695 91742 329749 125132 323883 272941 70496 62774 284571 77951 271039 47480 319043 82309 70891 330752 379145 378925 371213 369487 363306 380893 343305 376952 327324 315958 362107 332521 1277 500 3394 202934 206004 196736 194868 181695 203334 219113 189221 217464 195062 196794 200715 181028 162797 195419 183806 141550 186426 183337 183190 163973 181788 184411 188090 186880 195126 190720 190085 182977 189131 184652 187040 188390 199440 186920 29121 31528 96887 192608 185295 181702 84525 100786 182703 189370 190205 33522 176751 68561 193079 188224 23953 62674 187984 74299 169081 189576 22761 22422 11594 10390 7659 81040 82504 8157 11095 85781 87390 8354 85416 91860 74759 8083 84146 5345 10112 5228 56803 6327 82729 72597 85520 10982 82686 85730 82888 84314 90348 95117 84262 87342 84191 82285 79914 83073 47019 54892 6714 81727 80748 10161 81264 8112 57634 77431 79617 78517 83237 77057 79939 68339 84313 69506 67704 83215 75960 84378 84253 84103 Phe-Ser 2205 2736 2127 47178 48365 51876 46588 48496 45361 48040 48942 47330 50880 49177 46857 47890 47967 50426 50536 50639 48269 49737 48512 48627 49317 48372 51858 44987 44911 51352 44020 48116 47607 49006 40365 40808 42332 48462 45552 50882 44467 32039 34812 47537 33049 46414 30631 48134 34378 33219 48504 61368 59301 57871 53115 56670 54890 52855 55095 44130 45983 51272 46229 8131 7350 8327 119235 117537 111901 110873 114022 117238 118453 118158 122357 119648 118618 119300 105562 99276 114684 111283 85126 113144 110962 104806 95714 104376 110392 113913 112589 111319 111789 116347 106630 110379 112383 111670 110252 110853 106931 24961 26612 71967 113336 107762 107213 66958 66949 105339 108939 111827 25627 101846 45175 107030 107040 21139 40614 111377 53703 99232 100694 18855 18380 12852 10875 10015 37952 36969 9449 12206 39251 37763 8726 37983 38916 26615 8397 38455 8711 8839 7671 20684 8408 35210 25364 35334 8110 33482 36345 36720 35444 35465 36871 34773 34751 36829 33778 34869 33814 21825 24423 7888 34763 34205 10902 34562 7784 26709 32964 34563 36281 34997 37320 37210 37715 33088 38934 36178 33384 36650 33494 33455 34448 His-Pro 4197 4107 5050 201056 202038 141602 189763 196027 133236 215542 208325 208748 117330 204174 198265 76689 79062 75698 79157 72571 76524 77710 79492 77217 75570 77522 78725 249581 89895 95181 287330 316238 285711 247930 322482 249954 283419 94272 324920 77203 96826 99054 87629 91501 94424 93903 90246 76037 101362 100791 82700 89303 83187 89628 87550 87989 90780 82201 88666 78008 81037 86449 79124 50985 48375 54036 85197 82617 76318 76333 72717 81595 85891 79142 87018 81469 80149 81335 138662 199410 97487 120864 369003 112596 141757 118013 254343 119047 132681 74816 72739 74118 74312 73226 73815 73518 73060 72980 71178 72229 71570 2300715 2338461 859122 86731 144912 150321 903723 895561 150922 80401 81617 2443459 85649 110867 78066 76609 130981 107299 74445 93720 79655 83584 114692 127022 3340845 3367765 4146276 408933 380582 4003643 3307054 85675 87259 4140411 92486 349925 109633 284329 79574 356565 254379 346269 128388 397533 83155 111107 74887 261559 72874 77256 74761 70049 78295 90370 76812 72769 77193 71187 73146 73717 680371 561211 2539992 156032 166377 1947877 127847 2471385 494488 182372 129194 104197 79671 89962 86984 102223 77480 99395 96562 75853 87176 76843 76059 72455 Pro-His 4770 2455 5590 34064 34912 31859 36237 34017 28242 35311 35541 34759 33148 35149 37203 30253 30947 29847 30814 30274 28246 30486 31159 30559 29256 29462 31171 38371 28986 28458 35327 37601 36057 34483 38137 36491 36081 29907 37999 29532 28976 30671 30464 31587 30492 32172 31353 30876 32108 32517 30821 35262 35838 37966 35300 36978 37081 32839 34830 32250 32073 32970 31873 34169 33140 33401 40467 36959 32825 34107 30946 36034 39358 34833 39225 33132 32788 34967 35223 37370 32534 33588 41060 32317 32812 33691 38677 32807 34774 30421 29256 30213 29326 30028 29953 29003 29754 28854 29463 29508 29451 78207 88554 48769 31593 33199 34059 49476 52464 32840 31073 30948 87530 32834 30262 32312 32883 27565 29123 33589 29320 33311 32660 25879 25686 93579 92306 140114 48040 44675 136241 105843 35924 36743 106250 36146 45483 33725 14174 38907 15538 19091 15456 27579 9074 37694 33440 37052 19839 31827 32269 33375 33654 34376 41955 33179 36072 33417 30687 31181 32111 43882 40128 67453 37285 34032 65670 36586 68087 38955 35951 34470 35895 33992 35335 34807 45474 31760 44064 41814 30005 33741 30785 31350 30347 His-Val 658 223 861 74843 76326 72891 76374 75626 68146 74000 75083 72940 72295 75100 74209 70463 72075 73756 72043 71417 71989 70996 71320 70568 72257 72756 72764 66121 71055 67864 68682 74128 73156 74658 60193 61500 63203 73418 65731 69991 56335 24917 28035 58282 28256 56896 21116 71385 29012 25814 73010 77765 78258 78693 75309 79343 76181 70366 73170 68463 69389 74442 69684 1833 1134 7593 72732 68818 65706 65676 65428 65437 71630 70389 73110 67018 64895 68215 68549 65974 64541 65889 69303 65137 66532 64103 63065 64797 65375 65170 62488 61348 61775 63300 60318 63909 58688 59858 60343 61044 60589 13046 15685 45939 62993 64519 60986 44687 46405 64384 61995 61571 16490 55635 17582 60384 64395 5892 16520 62689 24759 51167 58267 4551 4651 21655 21003 4074 76109 80776 3288 23142 74438 76805 1834 72684 83406 63383 4405 73454 2117 4791 884 45421 2110 73369 59889 72378 5315 72971 72788 71811 70561 73752 82315 73134 70769 73279 70253 67995 73011 66889 72321 57604 72796 69461 66331 72503 61107 66441 69961 67926 73046 70317 71653 70568 69143 72174 67767 69287 72021 67186 70108 77165 69840 Val-His 4749 4268 3960 549389 565876 550213 555390 559046 490822 540673 560184 543523 558805 566652 564965 580159 600717 586252 591395 588208 575372 580970 594259 585548 603447 600139 602294 582760 543880 554441 565350 574689 578838 575956 568088 565856 567220 572503 590525 574351 506840 553986 540838 548048 539011 542308 543460 552705 558950 576738 581859 589336 589695 587794 595010 602499 605271 551595 595185 573034 568938 587500 574049 11643 7069 48871 78147 81508 76612 79973 73912 77542 77615 78563 77748 80187 76547 77782 77731 80901 79804 77718 79432 78658 79827 76672 80244 76479 76560 74681 75233 73489 74003 75858 75509 71734 73932 73389 70989 73478 71460 101329 102281 87653 73875 77212 76542 88293 90716 77558 73947 77449 107112 76829 49760 76783 74695 21671 43287 75823 50389 73256 77884 18266 17981 51247 45405 34479 70059 70648 32964 49376 65465 67354 30168 63621 76401 50470 1450 65770 1316 2741 968 33584 447 68849 51156 67691 2385 65955 67793 66125 65049 69960 77278 68985 68900 68812 65354 66124 66023 55839 56549 29630 68882 62180 41609 64939 34846 56888 60400 61557 63788 62441 61385 58694 63782 63536 64526 59966 63559 57186 62868 64936 61705 His-Thr 11497 11769 11770 12954 12140 8732 11978 12438 11422 11704 12331 11735 11279 12535 11555 11552 11374 10456 11540 11366 10782 11114 12166 12241 9277 10577 10930 10224 12122 12054 11595 8190 8240 8986 10458 9433 10175 8760 3841 3938 8542 3786 8460 2671 11016 4389 3589 10895 12659 11533 12014 11351 11979 12107 10269 11482 10184 10630 11747 10715 17074 16389 16177 16212 14779 16166 15375 15142 16090 16173 15073 15048 16049 16238 16230 14832 16935 15189 15740 14864 14260 14266 14547 14585 13738 14176 13106 13138 14170 13236 12475 12916 13189 13513 13018 1506 2441 9521 14465 14083 14699 8605 10119 14808 14832 13867 2049 13995 4343 15302 15625 564 3795 15401 5475 12584 14106 400 267 2976 1591 15248 16420 3687 12662 15337 399 12865 17053 11706 396 14027 306 7303 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3288 4352 1237 5229 4387 3109 4204 1653 3752 3266 4177 4852 4727 4566 3680 4492 4889 5035 4768 5168 3295 4708 4944 3656 Ile-Gln 15666 14686 16132 1073810 1115563 1087707 1081679 1103650 1004481 1061156 1096947 1073726 1072563 1103070 1079733 1084283 1122732 1108705 1131042 1104432 1099063 1086833 1144108 1110049 1163110 1130510 1155629 1108926 1067184 1096389 1108281 1116137 1113081 1104162 1084453 1070030 1085816 1116250 1110729 1121256 1042263 1073541 1022307 1069702 1016868 1052776 1036282 1051194 1056972 1097611 1132857 1145469 1152196 1155627 1142823 1139922 1156884 1069473 1119445 1076623 1069183 1147681 1114931 65411 71540 139532 3746107 3835066 3794852 3846823 3643755 3650673 3718619 3780821 3729647 3759128 3690192 3612886 3541326 3292670 3630113 3504027 2887068 3519152 3437762 3507084 3152313 3477822 3412980 3644103 3556904 3600136 3584487 3612015 3552025 3511115 3578256 3513469 3450884 3544154 3496435 1534101 1666479 2863068 3496316 3425672 3379335 2735430 2893753 3408153 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18292 257774 12650 315663 294733 4057 9810 328583 17995 192442 219724 4414 4380 4822 4582 1447 16774 15156 1507 6195 33381 30658 925 31493 18341 4418 891 29791 2721 692 1457 1318 4578 26898 4686 32076 456 29932 28074 30458 29842 28359 32198 26729 28386 29000 29039 27064 27857 6411 7593 1052 22438 23887 1263 27391 1244 8374 20715 26294 27083 21337 11543 12659 9190 25220 8922 8043 24155 11622 15921 24877 21804 His-Phe 376 83 341 70290 73431 61715 68336 74595 57819 68287 71853 68249 61850 75583 66838 60362 61989 65057 63380 62461 58772 61933 61110 64343 64270 63756 64056 70462 60771 60089 76703 87920 85820 79619 60032 58982 69421 65363 71982 62754 58095 35898 35520 58627 36736 56632 32621 61580 38215 37024 59649 72753 73794 74174 71060 73772 73218 67522 71642 61940 62633 71776 62448 14364 13059 16956 90578 85087 77463 75971 72318 80195 83278 78823 87408 74241 76898 78736 75751 74025 72480 71940 76810 73892 74158 73713 78251 71792 73360 76507 72514 73100 71943 74445 72522 71776 72691 69490 73884 77299 72297 21738 25052 53096 76293 76426 75392 47689 54549 79032 70700 76523 24659 67977 23476 75021 72693 13448 21903 69570 27369 64465 70852 13576 15064 14638 12804 5233 58778 58786 7195 16531 54500 55303 6263 55750 63028 49291 8186 55626 5425 12097 6469 39354 5206 54023 48471 54692 12818 52727 57128 55941 54297 58603 63357 54538 54141 54239 54781 55643 54292 44010 47175 13164 58151 52235 23542 56176 17407 49902 54062 52917 55821 53408 56592 54748 56461 55496 56489 56792 53246 55354 55214 55585 54163 Phe-His 123 10 12627 12486 12065 12626 13119 11180 13448 12939 13076 12802 13354 12326 13011 13786 12626 13285 12995 12671 12797 13729 13692 12651 13572 13154 13910 12432 11894 13033 12667 13554 12333 13615 13030 14056 12143 13150 12871 9741 11005 11064 10900 11006 10646 11405 11539 10931 12991 11994 13643 13336 12988 13845 13084 13586 12419 12907 12173 12166 12790 12090 2593 2045 3980 12932 14121 12041 13391 11696 12934 14379 12493 15030 12746 12272 13684 13317 14495 12625 11971 15796 12284 12479 12537 14104 13065 12750 11841 11555 12190 11275 11300 12295 10921 12109 12161 11082 11319 11198 24543 24944 18694 11797 13284 12988 18950 19861 12423 10850 11697 25182 11140 3677 11916 11910 2334 3072 11272 4887 10179 11095 2187 1955 1229 796 8392 8267 1385 7470 8504 7218 8796 3674 7943 316 8684 2600 7788 8708 8475 8923 8496 8897 10306 8219 8697 8521 8352 7377 8238 6740 6033 2310 6634 6737 4275 7827 3222 7334 6962 6537 8241 6524 6035 6784 5726 7524 7070 6751 7137 5813 5907 8091 6800 Trp-Val 92 147 124 51716 48491 45640 48789 47210 45878 48561 48103 46862 48426 41517 42329 44422 43819 46451 45543 45224 43760 44697 42607 42821 46753 42155 42069 46591 43800 44232 48975 47636 50378 50244 47661 45005 46180 47930 48415 44211 32005 29914 33988 36615 28038 34827 36016 45960 30960 35108 44459 46534 47342 50057 46903 46919 43952 45174 46760 40050 44025 44740 43651 150 104693 95722 87038 83066 71580 89219 104312 83063 102893 78707 77257 88002 80907 66329 82291 73457 72998 80095 70647 77710 70645 76704 75293 86671 86180 89425 85225 81885 87638 86477 89878 86084 86462 89296 89849 91433 87714 87275 91263 86252 87087 86031 88491 85284 83401 82700 90764 66728 3534 89898 87168 2184 3221 83701 5513 53761 67530 1949 1860 56779 50114 38353 41145 41412 37382 54292 36130 39646 32409 37375 38973 9603 239 37778 3659 321 36112 10776 34839 209 37726 36827 38439 39013 39214 39137 37028 39127 38448 37957 38811 37795 46801 44004 55368 42586 40688 55749 39499 53288 43104 39850 36936 40622 37550 33640 33823 24854 36922 26269 26208 35682 36329 37723 34325 37370 Val-Trp 440 239 471 94614 106759 83487 96913 107877 84113 101083 102293 91139 94109 99666 98764 84728 91171 85637 83807 85872 74556 82126 86434 79620 78860 82978 79937 86405 74263 74568 88237 86850 83715 81781 90961 88642 87393 82659 91891 80744 79677 116447 103557 82128 108000 85904 128220 86734 116135 127038 86182 94035 94926 96652 91855 90346 89869 87803 90428 86766 87749 94317 91373 6274 4483 7688 188064 186212 181788 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13805 15890 13233 16621 17773 13233 14423 15289 13311 14722 13521 14515 13552 14616 13280 13332 15193 15067 3289 2702 6346 38676 35984 36520 32830 33783 35310 35586 36890 34256 33719 35491 31294 35804 37689 35616 32831 42610 32658 35950 36812 38794 32637 33740 32550 29660 32860 33400 37307 32524 34545 33724 31511 32187 35383 31670 43221 48448 40384 33752 32051 30965 39874 36400 30220 32555 32922 46618 28162 3131 32887 31227 2821 31567 5883 21381 28790 495 12682 12324 5469 18245 15971 4250 11892 18172 18615 2086 19230 18799 4484 19293 775 19048 4310 18984 20628 23435 21786 21984 21404 22011 18953 20799 19933 21131 19162 19682 20555 20468 11782 18672 23414 16835 20877 14737 20882 20951 20948 20746 18913 18963 20053 18632 20199 18295 18618 19505 18605 18130 19180 18775 Trp-Thr 64 6299 5817 5010 5625 5591 4333 6223 6830 5096 5915 7172 6367 5052 7013 5164 6143 7541 6944 8205 8674 6410 7542 7374 7646 7935 6604 7192 8265 10513 8945 9671 10990 8146 7516 8650 9805 7566 5618 7699 7097 8406 6367 6339 6749 6890 7376 7552 8781 5633 6404 6356 8035 7022 8467 7171 7137 7908 7276 8058 7413 7993 7679 6260 4007 6817 7847 8015 7509 8231 6404 6011 7746 6219 7218 6390 5323 5759 4885 5487 4970 7465 5888 6580 4805 4809 5666 6748 5761 4779 6362 5627 6822 6168 5722 7233 10970 10248 8498 6968 8938 6593 8809 8750 7387 6251 6809 11318 4043 225 5818 6973 186 5205 2335 5012 6565 4614 2570 6753 7792 1579 4156 8289 6820 1628 7404 8167 1881 7565 555 6414 781 9097 7297 8247 8269 9152 8999 9143 8730 8036 11303 9027 8860 8950 9152 7264 7206 10129 8447 10037 7218 8076 8965 8609 9185 8056 8470 7792 5184 7114 8729 5535 8546 8352 6388 7043 7042 7159 Arg-Met 89961 90240 87327 86401 88231 76234 88232 90519 83318 89766 86757 82942 88235 90329 90639 88028 89332 84338 86026 88488 87535 90487 88082 90161 11918 81627 82177 14845 52748 53686 51921 2382 3850 5929 83310 8123 81050 24033 8498 6514 32030 7935 31297 8476 84791 8286 9839 86884 109323 109576 107452 102739 107823 110467 97407 110058 86673 87365 97564 89504 2671 2821 13646 12652 15673 12558 13070 12275 11598 13549 12069 13827 11901 12641 11983 11714 12269 12410 11176 11952 11456 12571 11951 10033 13045 11338 13215 10974 12512 11084 11085 12455 10510 11188 13040 11252 10012 10626 12657 2774 3711 3634 11281 11618 4813 75 11336 12708 12471 9 3639 5020 158 706 24602 24838 25179 6745 4066 25988 151 763 208 25176 4006 24205 26443 26338 25502 24995 22594 29720 26137 23861 25408 23645 23795 23446 16259 18373 3233 21747 19855 8116 22293 3603 17195 19142 22202 22866 22507 20092 20513 22681 23795 22630 22730 24321 22339 21765 22838 23430 Tyr-Gln 270 165 578 102013 107717 102242 98538 99484 92954 102576 98875 98112 101756 100901 98455 100031 105295 104098 105628 101797 98231 100301 103725 101272 102267 103415 99424 94251 94101 95947 95386 96746 93444 94369 96725 95657 93616 94035 94303 95393 93952 99314 96329 99262 96816 101411 99556 99292 101911 105816 103417 107403 106290 105840 110833 104872 111306 103549 107199 108256 109024 112677 105748 2383 1734 6874 133204 135241 137028 139323 136640 135026 131642 136727 138520 140118 141141 135642 125403 99370 136303 130576 70799 134684 129377 132923 85550 125316 123582 132818 131296 134605 131567 133013 128880 126634 126187 127780 128856 128846 129284 21167 29795 90563 129620 123967 121719 78826 80528 124803 136072 132503 29405 129990 83633 133177 139007 36851 77046 140017 89112 130286 133007 29498 35699 212 290 208 171 191 500 266 181 391 222 174 135 172 156 253 251 272 243 170 295 198 366 272 701 284 176 1076 169 438 184 736 661 284 Tyr-Lys 89 100339 103045 97899 102013 102005 83530 102146 102962 96671 100610 101491 99230 99012 104518 104542 99186 98216 96774 99785 102120 99942 104396 100471 107012 82905 92018 94063 83619 99716 98463 97932 69038 72003 77314 94889 78016 97801 67021 41857 44363 75499 44571 73310 38138 96913 45868 43204 100382 110853 111365 108310 103414 109942 112588 97860 106493 97952 99916 106458 102637 88994 82836 101572 246782 254160 242287 249512 216963 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52386 40667 41056 39930 43846 37904 42868 36774 46465 38707 38638 43537 52296 54206 56107 51108 51268 53548 46750 54345 46579 48718 50741 50674 99 441 103190 100563 87601 100109 89219 98111 104431 94350 95860 93569 90148 95801 88143 63941 95668 85932 43196 78863 73881 71417 44001 65095 65591 69151 73190 69229 77582 67226 68869 77187 73440 90880 69159 85285 74533 6467 7801 39329 78866 77377 87796 50463 48586 107437 114254 116481 8027 53665 4123 105435 121655 1245 4301 95742 6603 65675 98966 2330 1617 3786 4813 106 95 7061 7284 78 8339 4027 1323 7054 116 204 6130 801 7593 8895 9230 9152 8062 9561 9886 10206 10651 9703 11337 10441 8995 828 1254 8456 7547 10651 1881 7521 11354 9393 7234 6969 6835 9715 9275 7496 6304 8668 5889 6687 11230 8907 Phe-Phe 1726 1787 3026 251794 112952 77346 89775 119649 83233 222848 122415 222828 85323 130387 98209 69644 69179 68238 67230 66982 61165 63491 70125 63310 68645 67498 68316 277841 81310 93526 291263 495219 435849 382322 266732 227796 244731 91470 340996 73949 228598 39263 73220 167368 51325 173173 65818 81983 61405 44205 76963 25963 26217 26287 45480 25344 26480 39625 21883 62971 65177 43467 66450 2385 2298 4747 148137 151987 205442 208331 193506 153054 148283 157809 132750 155596 156621 133598 187641 135539 204258 195580 162694 197294 105595 198044 150890 115962 113577 211440 206905 212294 212729 209667 212478 204159 208792 206230 211216 214082 203109 47132 49909 160607 217835 237175 235776 165624 173143 243000 213371 209568 50753 182447 32018 218205 217948 20090 31113 210043 36068 146065 194363 17886 19079 2312 2595 2976 12425 13164 2555 2873 24097 23742 2629 24721 13541 5419 1528 22195 650 1200 630 2563 1094 22316 4703 23760 587 25158 24352 24783 26041 24956 26147 25671 26172 24322 27204 25642 24766 7169 7577 2510 20449 16135 2817 22726 3432 7007 17459 22792 25043 19032 2630 2934 2442 23024 2852 2583 24387 3278 15005 24539 22202 Trp-Ile 2 5 72467 68423 60522 60709 66966 57251 66160 64790 65532 62731 61458 64027 59138 61679 61354 58450 57993 54253 60234 58378 56648 61020 59282 60697 60985 54336 56174 63965 70681 66064 65452 64458 59862 62952 61387 68833 60664 42366 43795 45586 45802 41028 46097 43894 58477 39784 40785 56150 61183 68119 67653 59446 63111 60753 52626 60420 55438 57815 56864 56706 210 643 777 258079 218961 192666 191564 183345 207654 259177 178613 247261 182810 178060 199054 175333 148472 182813 175373 163969 179089 154500 175230 150066 158446 153863 188105 177548 181421 183294 183122 181457 181774 180517 176907 178364 184244 176816 184360 177104 191622 185443 181076 180749 193677 194941 187286 186667 184761 186869 143368 8448 190767 185992 5156 7574 183343 10323 120810 156374 5339 4856 32594 28782 19153 42500 43094 17772 34812 47566 44093 14017 44231 44907 16146 48102 226 745 427 7053 169 45359 17531 42895 486 45711 46053 47901 50773 48344 51338 47169 48307 51845 51226 47330 48211 37771 37181 28047 43591 43408 32083 46488 31757 36738 40373 45529 45263 46153 29036 30389 16653 53093 17275 17024 51581 28235 43737 47162 48817 Ile-Trp 85 179407 193724 153086 178171 192728 155163 185041 179571 176854 165848 179830 175204 161366 163704 164945 167325 165741 144922 157810 159401 150910 164660 161360 162582 158050 150259 150185 170812 176741 170452 166166 179058 166213 169148 169995 180989 155351 112948 177374 176749 128709 162690 143775 183890 163800 170964 185031 174016 164568 164522 166809 166769 166044 172273 155899 158933 154492 167449 168186 156797 50805 39811 61234 590678 603784 598929 599001 549329 585299 585471 551941 562643 563901 557034 585359 548666 505132 578763 555636 526195 551336 508893 583233 502897 545753 529063 619875 596219 619157 620612 598503 610536 586966 613636 603088 584539 618740 601429 770338 765512 771509 605320 587222 581802 803904 835009 583890 592943 594604 789994 364931 18970 611281 617814 11080 17527 602166 19499 284448 399531 10853 10014 24393 18513 9483 80884 80448 9292 22831 90118 89953 8283 92682 82863 12608 2956 90505 242 1250 782 3835 660 89187 11444 91677 1628 94248 98155 97494 96736 95127 104187 95645 100321 94461 92220 92449 95807 83475 82168 37533 104590 98169 55808 91690 43816 89883 95189 92235 92532 91913 88586 90919 74470 90648 73951 74788 92937 88796 93824 91954 96393 His-Tyr 7850 8132 6850 8226 9964 5020 8021 8343 7333 7581 9285 8220 6640 7471 7853 7491 7390 7387 6342 6345 7923 7313 7267 6828 7924 6162 6111 8514 9631 11659 9782 5284 6256 7722 6081 8275 6358 5143 2430 2538 6521 2234 5054 2294 7106 2737 2049 5624 8073 8601 7969 8431 8530 8312 7518 9861 6820 7825 8270 7520 143 222 914 19289 18617 12294 12824 11295 15962 18738 13253 19184 13269 13065 15097 11800 12286 12567 11489 15287 10988 11404 12224 13630 11487 10143 11631 11415 11222 11003 10626 10782 10050 11194 10875 10437 12181 10266 1049 608 8349 10756 12205 11865 7022 8910 12606 10772 11605 1534 10910 2041 11623 11876 371 1309 11875 2235 8693 9764 916 485 1395 914 1430 8958 10494 405 1191 7646 8559 474 8877 12308 7299 1025 8821 210 471 547 4907 1133 8178 7578 7582 727 7902 9769 8548 8851 9588 9948 9486 8121 9700 8645 8879 9363 9147 8652 3607 7835 8602 4745 9640 5098 6931 8307 7879 8830 8099 9774 10939 10140 9407 10696 9958 8838 8039 8292 9225 7824 Arg-Phe 247352 251448 235730 250562 261258 206634 252255 253137 242682 237102 252147 247038 232173 249019 249292 247954 248782 241083 239357 248048 237907 243510 247182 247893 52526 224149 230615 62648 171072 174678 180230 14809 20899 30375 239059 40696 233309 80818 13177 12166 101266 13849 100271 11251 234375 13277 14514 235748 297158 283573 288187 278992 289215 291370 264402 280028 232187 236559 274027 238758 7638 7644 17884 191306 201498 171037 172352 159449 187780 179548 176591 183414 179880 169573 184164 162022 159434 167344 160551 156489 162580 156207 161416 156424 160139 158201 160526 157441 163626 161227 160017 156623 155715 158819 159876 158606 162754 156112 334 112 647 165460 64189 78027 810 699 74659 159604 165900 76104 7255 165776 165438 6281 6377 163825 6505 58713 81498 5441 5756 6258 5629 4936 9079 32431 4478 6072 195392 191678 2771 185199 85436 48925 10411 196819 6544 8492 5996 20937 4880 190871 50846 191109 9185 192080 199873 194833 193689 203025 224208 195644 196867 201746 196832 186421 197109 129368 139682 19759 187895 173724 43803 185082 24993 149237 177147 184627 190795 187663 186857 183390 186449 190269 188663 184300 188762 172976 180722 188791 179305 Phe-Arg 6171 6522 8002 77091 80713 74134 67498 71049 62308 70036 72428 70551 70938 73978 74798 72793 76211 75323 76368 69664 70101 71913 70939 74942 81830 72862 76509 75636 68115 72075 76216 83081 81507 80124 74279 72855 75589 76268 77430 74719 42623 40395 44281 48592 38587 47964 47502 69523 39433 43435 73122 76637 86960 83551 81409 86527 86144 79558 86536 73348 71285 85905 76623 47487 36908 51017 171798 177635 166449 174370 153774 168034 172858 170830 168567 166302 163442 169075 174628 187277 174219 171349 202972 167875 171620 172069 192604 167233 162717 165432 161604 163871 162085 160116 160281 160499 155531 156666 149804 155567 146278 16001 16254 24601 165424 190594 199399 32728 29662 205381 160718 163139 16760 127337 23339 157713 162012 18224 21214 158563 24318 111391 132189 17266 17889 775 962 264 10005 27847 1051 37124 38666 34945 38651 8374 5688 39466 6636 5041 6570 3608 7580 34512 8749 37955 5493 36700 38903 34306 38280 37323 38466 39772 36515 38574 35525 37346 37831 33591 36326 17049 36123 34876 24177 39753 20732 35378 33993 34639 35607 32019 27331 27362 30216 35090 28328 24687 34258 23611 28573 36025 34925 Phe-Tyr 62 470 922 61588 64821 53558 60970 66601 49614 60282 62776 61385 53881 61315 59610 52065 54600 55622 52790 55315 46715 50528 51863 47824 51425 52887 51355 64042 46440 47179 66615 69637 66155 61534 73379 65933 66595 53129 69796 48389 42341 45795 49971 43178 45646 47174 53395 49521 45311 48748 55628 57773 54836 53862 51603 54485 57985 51059 53483 49846 50447 55882 50323 477 329989 334046 189900 189947 176913 317362 320653 252129 310642 234386 238669 315641 171083 189589 177212 173634 201358 173853 172188 178095 194996 170497 170451 191112 186117 188223 187084 184799 185696 180424 184779 181244 178434 182919 182495 42481 45787 184705 185051 191991 189314 169100 188148 197203 180622 186221 46011 169987 32521 189169 187538 14981 30990 182441 43124 154130 180105 13745 13600 3336 3621 5815 23341 23752 5241 3068 33409 31662 4155 32799 28790 11352 1085 31342 3958 32663 11438 33502 38875 33922 34904 34731 35558 38732 35468 33083 35027 37803 34324 34336 10774 12776 1473 31751 30364 1475 30735 2341 13303 28028 31461 30578 27152 34163 35291 35289 32902 35824 30350 32400 32282 24091 33400 32200 Trp-Gln 52 32 4426 3530 3460 3092 3415 2669 3760 3755 4305 3664 3680 2925 3251 3429 3912 2788 3174 2963 3264 2905 3637 3138 2659 2957 3490 3520 3121 3259 4196 3411 3536 2947 3251 3124 2915 3540 3430 5151 3263 2861 4895 3323 4454 2367 3548 3010 2777 3776 4095 4143 4018 3612 3805 4546 3106 3870 2931 2952 4006 3786 433 120 1417 961924 985744 947013 959829 887177 984443 1000387 935315 982894 956531 942908 932064 841512 786579 914380 863383 648810 887335 831617 863667 730297 834934 828705 939403 894073 909021 897320 888283 877086 887658 881821 896313 898862 904211 898443 293169 323409 673263 920601 819889 850373 646535 668382 823296 874924 871905 342854 752654 236796 903671 895111 57466 213727 908345 293900 716309 793089 41984 53437 535 244 812 259 289 206 440 244 263 482 416 481 96 101 76 257 559 343 277 543 626 313 157 349 281 385 218 179 470 734 1039 347 3882 411 404 179 1780 117 84 2277 130 275 620 534 124 559 964 489 108 1154 Trp-Met 2064 2147 1561 10730 11143 8567 10067 9887 8632 8982 9857 9201 8936 9489 8846 8862 9523 9781 9077 9642 8853 8898 8503 9355 9087 9288 9751 8613 8689 8452 9444 9792 8909 8481 9551 8419 8034 8755 8620 7878 6733 9189 9284 7318 7931 7731 9239 8899 7849 9228 8246 9321 8191 9295 8531 8954 7926 8368 9334 8013 8240 8887 8146 1271 1038 913 56678 55301 51354 53829 47653 52666 57331 51587 55558 50061 50764 52824 46532 50402 50356 44525 56098 44117 42277 49856 52130 45313 47426 55047 48279 54574 47799 50735 52434 49862 51558 50031 52067 50542 54272 46713 45883 45891 49773 45226 41579 43597 44983 38575 43491 43343 36540 37172 2041 46058 41813 1038 1923 40127 3361 26714 32343 1011 910 5440 3659 2012 5494 5248 4669 5441 5473 5967 706 5996 4472 2117 5331 223 344 131 725 323 5530 3030 4771 94 6809 7344 6159 4609 6099 8109 7369 5311 8247 7498 6120 5183 9247 8087 7026 5382 5603 11570 4892 8603 7862 5658 5839 5077 5446 7239 5466 5649 4710 6471 7159 4644 5032 5639 4258 4696 Tyr-Tyr 19116 20018 18322 19711 20788 17563 18692 19633 19105 18621 18660 19644 19677 18935 20041 20499 21378 19342 19072 18838 20309 20225 20715 19453 22492 18902 18868 22973 24482 21726 21575 23238 20787 21806 21224 23743 19183 17710 16011 18787 19039 14428 18619 17944 20112 16057 18213 19841 19949 18961 21687 20796 20851 21571 21332 21715 19348 20087 20576 19945 119 446638 449388 420427 425931 386770 419081 425360 415940 425895 411607 401826 426881 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38588 37178 36355 33306 33094 35414 34378 32936 38408 36046 40720 34460 38647 36531 37351 36442 35382 39049 36208 38843 38360 40746 42440 37497 30492 35929 40374 41982 31980 37222 38200 40222 26190 1735 39211 35157 439 1830 33832 3106 23385 26304 408 324 7202 5316 3466 9895 9841 5922 6872 16755 14653 2208 15718 10876 6537 4730 17974 8775 6220 4904 12076 7112 19568 11390 17139 6276 17010 18241 19765 18390 18032 16793 16858 15641 18207 18610 17217 17783 13678 16190 5734 17463 16150 8281 17012 6984 13243 13896 18787 17231 19157 21178 19856 18216 17540 17777 20020 18689 18208 14726 19613 20807 Trp-Tyr 2334 2953 1508 2494 2609 2041 1859 2029 2762 1792 2687 2300 2031 2241 1959 1478 2241 1926 1919 1604 2066 2230 2233 1902 2288 1944 2273 1900 2405 1975 1923 2637 2157 2224 1745 2724 1696 1951 2701 2700 1549 2444 1935 3419 2042 3264 2675 1780 2424 2285 2565 2334 2269 2167 2134 2156 1966 1312 2284 1625 74 200557 194108 174822 173721 166103 193957 190857 176723 192716 181811 173482 186481 160032 142031 170175 156226 140907 162712 150325 161103 141572 153656 151416 176569 172522 171856 181397 171504 171753 168911 175259 169883 165139 176647 167060 69916 76824 144886 175539 158488 154800 139617 151388 154616 172767 172168 77357 133090 5776 180277 181580 1624 4039 163740 7892 102755 143645 1288 1672 2508 3788 3262 5121 4306 4732 4376 5224 5640 4489 6100 4710 3687 2556 8184 4161 6553 6852 8205 6455 9174 7334 8241 6901 6434 7879 7849 6366 8597 9864 7793 6000 7407 9063 7961 7760 5501 4276 6570 6868 4879 4249 7297 4219 3535 4406 4089 5788 5851 5983 6891 7154 5383 7568 5962 4850 6106 6269 5039 4563 Trp-Trp 85 124 101 2652 2764 1312 3350 2979 1225 2654 3056 2821 1430 2529 2749 1123 1836 1541 1630 1253 1320 1329 1225 745 1424 1323 1355 1563 1245 1295 1797 2038 2033 2304 2037 1389 2239 873 2217 1560 1537 3505 3080 1449 1867 1645 2907 1701 2422 3379 969 2995 2748 2895 2904 2247 2508 2864 3024 1050 951 2165 1324 46 183 6037 5447 2377 3132 2642 4717 6558 3811 6639 3966 4328 5013 2253 1298 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58996 155881 138556 111969 92659 84327 157712 175189 122571 175618 120084 128280 154222 138616 158267 140093 134169 158370 133015 155719 128946 154452 132311 144696 104731 103302 101666 104927 108867 108145 106805 110120 103099 99241 92540 93123 116103 128197 141535 106905 121101 126612 133732 138380 124449 101484 102194 124041 144394 148028 105040 109837 153828 147703 97200 136016 134738 141392 135898 146064 32203 27789 31303 21438 26541 33360 31656 16102 17657 25011 15641 25017 22714 16979 22211 30048 26453 28354 18811 24205 21124 23005 14996 23559 16549 14602 14319 13965 14371 15477 14455 14160 15498 15248 15509 15755 16930 17001 17871 15891 15950 19940 16380 18712 19406 16106 17424 19783 17191 29470 28035 48320 10536 44154 39089 10336 25411 16182 9328 17398 DOPA 792 985 973 1702 1811 1686 2097 2220 1786 2172 2168 1532 2072 1582 2410 1782 1658 1923 1950 1759 1726 1642 1770 1850 1812 1645 1812 1860 1503 1440 1889 1940 2028 1893 2104 2068 1896 1704 2067 1806 1871 2066 2033 1721 2017 1802 2072 1710 2188 2161 1320 1910 2118 2177 1629 1822 2238 1445 1933 1498 1764 1460 1880 198 112 613 3126 3147 2748 3414 3327 2856 3098 2015 3205 2549 1945 2788 2833 2262 2415 2432 2260 2503 2402 2634 2376 2769 2238 2658 2565 2956 2891 1956 2117 2113 2408 2523 2735 2702 2332 3359 3054 2959 2900 3130 3291 3919 3541 3582 2891 2701 3129 2845 2855 2955 2701 2847 2849 3041 2794 3214 3315 2751 3253 2716 3173 2866 3733 3153 2425 2407 3120 2862 3441 3403 2728 3000 3182 3267 3606 3179 3404 3062 3178 3503 2645 3318 3401 3009 3288 3730 3085 3102 4278 2845 3670 3018 3453 3364 3593 2883 2327 2623 3336 2280 2483 3373 2808 3182 2935 3874 3567 4062 3014 2049 3272 3400 3817 4015 4349 3016 3889 3794 3944 N-Acetylputrescine 58984 55259 61299 21853 21055 20483 21841 21950 18525 22040 22462 21901 19373 21312 21251 19160 18742 18619 18213 18502 19014 18795 18409 18618 18278 18907 19035 22745 18987 19431 22381 22823 21582 21829 23267 22588 22326 19380 22786 20487 23675 39440 37517 23073 38273 24471 38611 20239 36523 39087 20530 22211 22119 21337 21416 21936 21875 21310 21605 19730 19410 21406 19328 2901143 1670703 1705081 80113 81094 83861 79644 78829 82004 81591 79694 78992 79636 80645 81345 86804 89574 76311 78323 87999 77706 85891 84000 85436 88889 87539 77988 77578 78164 78746 79080 78308 80099 79414 78684 77130 77847 78511 102261 97854 99284 82306 101397 97880 98358 99959 100494 79394 77857 100924 96702 114097 78939 78526 120776 115335 80495 118654 99251 91871 122693 121122 36139 36480 40706 30792 31559 40503 35214 29418 30333 39114 29065 32410 31072 35719 29709 36292 34921 35333 30485 37410 30475 31682 29206 33500 29151 29182 29118 28469 28366 29504 28570 28187 28482 28292 28248 29359 32344 32058 32678 30191 29717 32673 28470 33725 31012 29295 28152 27853 28581 28039 28283 27745 29153 27147 27431 28241 28006 28572 28488 28293 N-Acetylcadaverine 14341 12276 14671 9839 9976 6886 10413 11384 6954 10129 10424 9559 7088 10197 10524 5708 6216 6043 6612 5739 5858 5718 6155 5831 6017 5567 5580 10845 6956 6967 11193 10936 11042 10343 11231 10570 11630 7098 11300 8617 14472 28344 25949 12763 26977 13251 25959 9027 25219 27294 9996 6673 5948 6579 6259 5754 5959 5677 6484 5633 5601 6026 5543 1429442 484561 262267 13143 14187 14387 13782 13213 13107 13734 14728 13569 14310 13714 13911 17437 16417 14337 13244 14430 14060 17283 16168 15777 17879 17115 13225 12586 13839 13210 13096 12932 13057 12351 13161 12466 12698 13001 14892 14268 14938 13452 18286 16755 15119 15460 17591 13596 13502 14795 17845 22288 14662 14087 24788 21929 14840 22857 18810 17630 24991 25111 1921 2084 2348 1945 2155 2334 1996 319 569 1836 622 1961 3015 7907 2162 8143 6939 8834 3302 9664 1334 3582 1644 7529 39 53 33 38 39 2764 2831 2579 2471 2875 2672 634 2716 3240 2328 800 753 33 120 132 47 171 73 74 142 173 91 N1-Acetylspermidine 118560 98676 132064 74040 104281 25481 97755 93208 24965 79047 101452 87449 24880 93492 96646 23178 24900 24120 24434 23273 22830 24622 24300 23105 23373 23617 24973 102108 24914 24746 93737 103966 100009 108813 102382 103960 95646 25841 101714 25442 58163 67879 82304 50473 66464 50391 81547 28530 67756 67804 26610 32176 31620 31904 30660 32402 31824 29904 31474 24531 24008 30343 24327 946966 717502 735155 103600 102001 88695 88601 85058 99015 104065 98185 102813 96735 95680 97573 105341 119734 87524 84564 121850 85476 116702 101536 120125 116717 114691 86903 87055 87497 86229 87125 86167 86502 87653 84365 87094 86540 86267 142954 137856 130637 88396 134120 130000 133398 134149 135312 85153 84903 138255 177394 226088 87476 87095 233902 233276 88532 225509 189552 161272 237898 239827 338209 326905 348798 311187 315685 341719 318691 60236 60262 345677 61401 327896 276424 1907667 64046 1716415 1551039 1449614 528982 2138951 65073 244155 61102 1311804 57903 58730 55941 55627 54282 55787 56548 56380 56648 54465 55548 58988 181450 178379 183058 158083 195944 229723 54369 205463 222735 173790 55199 57043 64048 88982 84039 100039 59251 93477 97103 56821 85376 67492 56388 61689 N1,N8-Diacetylspermidine 55684 47123 60589 1058572 2453198 88957 2251649 2260581 76582 1001905 2363762 1257564 75051 2240501 2242250 6920 7173 7447 8061 7400 7360 7458 6894 7426 7239 7362 7831 5267012 136273 158424 5414911 4689339 4829807 4734948 5419242 5290084 5506316 141048 5470120 16197 147947 268520 281513 130049 251485 125299 276112 19645 254484 280016 19855 8265 8459 8660 8797 8139 8695 8225 8838 7837 7420 8105 7605 500019 292727 233828 31854 35508 33602 33346 33226 34161 30138 35234 30897 35744 36072 33062 260774 542309 92209 98119 650178 103342 654215 208346 574685 542849 565578 33951 33542 34995 34153 34304 33533 33895 33300 34268 34789 34980 35270 972960 828971 777841 157876 745462 934026 898990 791469 1072400 150438 144781 837551 647261 934981 44176 43399 975674 967842 43126 933069 715656 566705 977255 964682 2676541 2129361 3264153 1661321 1976200 2848829 2395089 151476 166389 2615055 162715 2239679 176477 574912 19694 527202 478335 474780 228985 655746 18661 171769 19582 442603 7830 8144 8397 8244 7841 7986 8137 7925 8229 7918 7757 7779 1263840 1169021 1204815 964038 1379089 1722657 99467 1321070 1668964 1030666 83927 76015 8062 8178 7363 8172 8468 9050 8681 8420 7381 8237 8134 8048 N1,N12-Diacetylspermine 1817 1294 1398 7170 5735 1516 5752 8838 1415 4885 5835 5484 1629 8384 5377 649 384 730 627 311 415 577 654 831 869 601 1241 75967 6750 5672 72598 79192 73631 75924 80757 75032 75163 6142 77096 4621 93044 85534 89942 64098 81852 63439 90605 7640 85882 86669 5757 828 821 1158 528 983 769 777 1294 596 673 800 767 8120 3025 4253 4280 4153 4164 4094 3963 4192 4424 4169 3984 3881 4040 4040 10014 13438 4937 5400 11541 4760 11279 10466 12005 12737 10801 3827 4155 4047 4072 4214 3986 3737 3974 3990 4044 3936 4090 66011 56044 60935 8850 64222 63185 67172 64161 72208 9505 10056 58865 220794 340267 10151 10116 346286 362916 11940 337205 269460 185891 354989 358076 74512 68313 68946 73245 75250 63966 70345 3457 3907 62624 3388 82015 163509 1539346 11068 1232035 1190274 1034196 375330 1543834 9023 156686 13616 984350 231 111 72 53 74 118 49 5425 7130 7392 6809 5730 5314 1181 5685 5603 5424 1416 1273 113 100 398 116 151 210 111 177 sn-Glycero-3-phosphocholine 10127465 10117987 10081139 7135638 7276281 7172997 7092845 7040228 7045695 7144788 7251139 7050777 7121734 6937611 6955339 6602054 6632095 6751387 6707485 6715841 6534435 6615837 6590359 6764444 6639634 6605410 6744760 6988254 6758355 6786744 6921524 7042007 7181151 7033632 7188661 7098841 7071525 7045287 7244491 7020211 6846337 6879900 6897645 6893959 7038729 7006943 6851352 6994876 6945862 6901047 7068092 7469252 7262847 7334800 7230009 7250231 7335554 7095648 7205458 6880191 6922513 7172469 7051185 205549 175167 194899 25295567 26089136 25692121 25764884 25295927 25670477 25766368 25446410 25347392 25446709 25244327 25529014 25553991 25992047 25949942 25661614 25938362 25529293 25460832 25486856 25834450 25572355 25511382 25732378 25545525 25873620 25285492 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173546 174247 184340 177123 156770 164119 181520 180102 176579 178840 185150 178867 181707 170344 181725 167482 170183 189805 183618 174019 186625 175991 185874 171696 192892 200595 178739 180988 172964 177288 177566 164574 174865 164510 167259 171088 173284 175104 168642 177209 145997 176180 90009 87067 84334 84750 82553 87341 89478 86440 88343 86048 84327 85844 80490 84914 81126 81232 84031 82190 81583 83852 85089 83453 81247 86465 83214 85586 87244 86000 86023 85345 87296 82369 86341 85910 85328 85245 86069 86477 88369 86275 84372 86088 87737 87505 86273 84634 89185 87768 89251 86600 86062 89976 88185 87264 86393 85604 88402 87961 86415 139506 137648 144959 134080 136957 139946 144467 124518 123689 142611 128094 136833 139817 141003 130760 136810 137626 141583 137076 140354 136402 141157 132434 142443 132280 131782 133395 132767 132371 145962 135206 136834 139842 133999 131507 138410 140498 139018 145138 134870 128193 142207 121918 142840 137985 129417 120146 126332 129842 145978 149273 154365 130534 151666 151625 127392 143978 128867 127880 128727 Diethanolamine 4434 4769 3572 32651 6522 17206 18821 11786 64210 19257 13878 24420 20960 15225 63651 65212 91522 66526 127659 139245 951078 516706 752820 678374 519751 539727 1000790 453302 1663135 395269 323704 433032 446430 511887 420197 427689 643811 501740 560393 549026 233684 306439 288182 243030 271487 185907 439015 178554 212465 196878 229830 207824 188201 144467 174660 290311 161743 224175 159637 206892 142659 140929 121851 62634 103534 78463 522150 467769 426185 413719 380127 340396 318372 284665 260092 263748 240186 245823 191490 147820 197633 210341 143690 223086 186835 250017 199130 207500 255355 330954 383033 393686 453477 541973 524916 611152 753566 796109 1024937 1293125 1921770 2843633 2992444 3073841 3239190 3138764 3186718 2838553 2847851 3351271 3282012 3346882 2681522 3506684 3565876 3208887 3309086 3305228 3325751 3382177 3110660 3104543 3230235 3190036 3011724 17558 3207 15259 12927 12868 5140 23233 11592 10201 21231 27765 23700 14850 8425 2368 3767 7882 2671 2845 1868 8278 802 4090 2165 5311 6578 3121 3336 2903 6251 4393 10350 23424 7466 2762 25851 131707 57506 30990 95303 37664 49637 15792 15321 26648 14252 26308 66 Histamine 30264 31402 32388 60657 61526 58263 60601 59995 52629 59627 60074 58651 58801 60178 59267 59870 60234 60816 61458 62091 60103 61984 62525 60874 62435 60270 62329 60044 57960 58706 57877 60424 61007 60769 56903 55342 58011 58809 59850 57852 59197 60495 61296 62539 59364 63009 61557 61520 60839 63192 63694 66562 67169 65479 67492 68575 68509 62767 65853 62642 60027 66032 60902 53027 69786 104941 14704 15419 14257 15312 13885 15461 15589 14625 15366 15260 14928 14955 14592 15761 14726 14285 15593 13870 14649 14294 14955 14660 14464 14241 13472 13396 13375 14023 14016 14185 13594 13170 13209 13169 13227 9995 10122 9729 13128 9849 11465 9753 9972 10421 13334 13078 11042 14168 15741 13807 14094 16144 15373 14195 15692 14178 14769 15914 15462 8205 8165 8625 5141 4908 6871 7439 10589 10338 6568 10661 4873 12308 11863 11008 12720 11271 11573 10751 11368 11565 11625 9946 11407 10548 10417 9933 9585 10276 13188 10762 9880 9578 9597 9876 10303 10311 10972 12119 9942 9430 11623 8697 12567 10640 9865 8695 9801 11063 10299 10934 11722 10311 11088 11937 9329 10582 10673 9140 8595 3-Methylhistamine 8284 7838 8384 6918 7281 6669 6926 6962 6572 6906 6972 6778 6890 6642 6777 6802 7047 7055 7025 7340 7114 7194 7002 6778 7276 7051 7163 7045 6771 6835 7277 6985 7166 7117 7380 7136 7184 6970 6899 6752 6729 6715 6958 6503 6479 6970 6599 7083 6718 7006 6881 7653 7339 7423 7202 6944 7376 6744 7027 6963 6698 7344 6835 8090 7352 8415 4435 4413 4452 4267 4198 4710 4558 4434 4574 4847 4702 4514 4630 4563 4550 4312 5043 4443 4516 4288 4671 4677 4775 4636 4699 4803 4610 4365 4710 4691 4815 4584 4811 5049 4997 5564 5616 5357 4823 5098 4811 5124 5311 4715 4819 4569 5552 4484 4599 4641 4565 4739 4499 4507 4371 4328 4574 4524 4196 272 287 315 271 536 457 442 453 617 393 631 604 166 741 102 55 75 364 48 750 347 833 92 852 428 584 596 741 887 587 749 595 695 672 534 445 214 376 416 459 261 533 100 104 296 675 397 508 338 176 100 627 455 403 485 456 254 666 387 L-Histidinol 1106 1168 934 1629 1641 1522 1878 1634 1320 1695 1685 1132 1371 1726 1690 1401 1503 1577 1534 1130 1461 1961 1647 1672 1504 1604 1786 1472 1762 1526 1258 1393 1613 1753 1651 1140 1564 1375 1608 1629 8272 11415 13173 10988 11365 11062 12930 1432 12812 13267 1664 1856 1826 1881 1707 1649 1708 2109 2019 1581 1390 1858 1685 36 71 539 4469 4561 4365 4243 3774 4866 4465 4229 4670 4452 4088 4463 4087 4363 4135 4271 4598 3651 4357 4199 4525 3766 4489 4132 3852 3720 3621 3743 4232 3486 3775 3682 3691 3737 3733 2828 3036 2879 4209 3296 3483 3194 3485 3525 3660 4058 2877 5176 6696 4658 4120 6049 6292 3958 5830 5077 5263 5772 6606 2008 2104 1767 1392 1977 1679 1704 1810 1549 1676 2294 1747 2291 3175 2072 3228 3546 3736 2246 3689 2611 1990 1961 2886 1538 1668 1624 1443 2086 2113 1766 1903 2163 1649 1733 2132 1245 2003 1551 1829 1567 2120 1837 2566 1591 1924 1674 1982 2416 2430 2959 2758 2299 1658 3002 2709 1689 1719 1822 1780 N-Acetylhistamine 81794 72931 89761 5683 6278 3433 5897 6795 3239 5841 6798 6764 3729 6842 6489 4055 3798 4075 4329 4340 3946 4380 4268 4311 4293 3795 3974 11214 3956 3852 11274 10766 10689 10462 11892 11600 10847 3928 10995 3605 11191 39923 40888 10849 38188 11440 41572 3893 36369 41351 4102 4060 4370 3943 4207 4025 4213 4063 4595 3569 3715 4200 3651 4258 4284 4391 7577 7325 7366 7892 6971 7479 7609 7571 8133 7233 7709 7302 8643 7809 7938 7803 7471 7610 8771 7842 8198 8876 8646 7388 6677 7432 8050 6979 7807 7648 6979 7510 6772 6944 7716 9324 9399 8999 7005 8877 8239 9121 9697 8795 7291 7203 9813 10391 11643 7725 7503 13108 12015 7949 12844 9961 9344 13734 13215 776 1094 1235 719 689 1378 968 139 167 1167 275 445 795 3245 139 3667 3213 3762 1280 3965 189 619 77 2906 151 131 107 155 192 162 105 196 165 113 187 574 819 595 574 726 713 191 653 890 432 270 247 276 259 46 44 268 74 144 57 62 155 165 Triethanolamine 200 325 298 221 168 138 173 149 514 630 257 671 307 500 704 556 824 1174 1035 1862 6351 12440 5498 7020 3840 10124 5432 8130 13843 4305 3347 5848 4672 8353 8052 11668 4128 4466 4818 5750 4615 2333 2444 4646 4653 3545 2100 4825 2157 909 5884 7504 8834 2894 6180 12197 2231 4222 1698 4233 1588 4351 1682 751 4448 848 776 462 470 1205 329 576 239 292 406 190 291 233 391 281 245 309 260 250 266 469 199 563 486 354 963 706 305 560 650 1012 1275 1022 1662 1145 1757 4242 4711 4322 4918 4420 5889 4768 7486 18553 6511 5754 10850 7393 4629 5965 5322 8421 5544 6269 8242 5664 13796 5077 4004 166 1451 150 34 38 190 267 364 75 198 233 256 29 401 350 803 42 1333 974 86 539 282 349 687 490 131 629 230 87 163 397 140 506 937 1053 206 862 1218 425 611 760 3089 697 662 280 2336 401 311 681 1556 587 46 487 Tributylamine 1024 1890 1891 6604 488 397 1119 674 501 25147 599 3617 1348 1446 1245 882 1614 856 777 6252 1620 6580 2292 3837 1335 1841 1608 9787 11900 2245 5499 6250 13719 21133 39159 3507 9003 5779 3512 11896 10939 3360 860 2609 22542 8305 1423 6922 1711 1894 2466 1325 22794 5666 2549 5445 1393 1108 2295 15912 829 960 1532 468 2216 1011 3135 597 98 407 643 1070 1118 697 1084 331 678 612 429 2702 505 400 444 3681 602 595 613 10928 522 1659 28828 6424 383 1384 605 270 3020 1306 15166 3526 498 781 10512 12989 7710 838 6013 899 6459 1101 4182 25222 1466 1722 1830 2502 4645 22716 2179 1687 5888 4815 9327 1068 462 5975 689 2617 439 542 1047 2460 18388 13004 1095 1189 114 4841 1024 912 286 1115 105 597 1572 3613 11302 314 9903 1480 303 9699 128 1706 2988 744 303 13731 83 162 3661 136 329 3360 30793 4616 150 1587 21293 355 88 756 35968 24602 1647 516 1285 948 405 1772 26977 5185 1108 6028 Carnitine 439005 425523 441900 415499 432238 420487 422357 413334 407999 415973 413954 410562 411071 413632 416936 415100 415579 417008 418564 420269 424244 422692 431543 431883 428701 432791 420646 429293 419123 416310 428625 427879 434022 428699 437020 433231 424672 429219 423957 431350 429194 432858 422042 432568 443064 425787 423020 416008 443600 437705 435173 459328 473342 457991 447521 456221 467953 451916 467108 433255 432342 457575 430140 435239 400938 427527 1443659 1467947 1417453 1429586 1418552 1461995 1468336 1452599 1425389 1446537 1448226 1422347 1427916 1439308 1455737 1427641 1430915 1404643 1457352 1436386 1474992 1443690 1409120 1448460 1466217 1446225 1478338 1476046 1446291 1465839 1463128 1437177 1465806 1451043 1429613 1458009 1451262 1406739 1457034 1469017 1457358 1415346 1457785 1461993 1450231 1446127 1439280 1479400 1475917 1461892 1469454 1465822 1501103 1441401 1483563 1483914 1463999 1495410 1495070 1049370 1076032 1219867 997977 998970 1210659 1062605 956517 948167 1213548 965532 997148 984929 1060958 955038 1050765 1052508 1071999 993801 1133852 996542 1000289 979112 1039504 985782 961700 968593 962874 981055 961914 976379 983739 966511 980130 971566 977485 960737 965492 1050338 932202 937933 994531 923703 1028099 936307 902880 907802 914337 931639 919914 919434 914421 921766 931635 938903 933393 897233 926197 918697 942579 Choline 678642 417991 917151 3494801 3623287 3535342 3582078 3491205 3456287 3507206 3515279 3482012 3495666 3502949 3466056 3497714 3535124 3523355 3568290 3488095 3473758 3459284 3522752 3570195 3571471 3502027 3500853 3596350 3424928 3507966 3596431 3541737 3563612 3538358 3721980 3705756 3734885 3548276 3610214 3602369 3586461 3679871 3553543 3605301 3708197 3667466 3694843 3651083 3775860 3821250 3755160 3852554 3815572 3745185 3732026 3808659 3830086 3660201 3832870 3570207 3549013 3731038 3543768 5536602 5310131 5488078 1729900 1698587 1726142 1688225 1647685 1705087 1769046 1689542 1697139 1677872 1679343 1676250 1661127 1554482 1659137 1659927 1580309 1637677 1608986 1627129 1596369 1595545 1632736 1603965 1627801 1620793 1631420 1617146 1656036 1651356 1610977 1571199 1653792 1620848 1624440 1795540 1793784 1645041 1664255 1665126 1637475 1639876 1662488 1648345 1681821 1653359 1820375 1717436 1788410 1671159 1626316 1814395 1798183 1649612 1742083 1697675 1701640 1747699 1810950 1326579 1341515 1380090 1282529 1294591 1330641 1291837 1305560 1282789 1332012 1290766 1338529 2026495 3672440 1338698 4128842 3483841 4096902 2122390 4433352 1392551 2037407 1381930 3463228 1296846 1278229 1305271 1288008 1288550 1299000 1269003 1297852 1321985 1280912 1281054 1295252 1111097 1119515 1019894 1294770 1273788 995084 1315700 1010050 1066012 1244704 1294032 1286408 1281453 1398728 1384349 1451881 1311665 1442207 1424688 1298998 1417840 1330200 1316892 1345244 Acetylcholine 6556 6500 7182 4102 4477 4430 4572 4358 4273 4414 4371 4505 4083 4211 4108 4117 4492 4519 4678 4304 4371 4908 4467 4479 4542 4604 4791 4856 4473 4734 4675 4776 4642 4690 4620 4773 4399 4861 4523 4813 4971 4882 4361 4497 4760 5018 4834 4029 4711 4650 4896 4966 5274 5015 4910 4692 5376 4882 4722 4799 4648 5116 4413 4641 4708 5104 14043 15326 16004 15947 14832 14224 15535 14867 15122 15061 14945 15343 15021 14489 15094 13513 13483 14991 15255 14254 13806 15653 14136 15485 15430 15476 14968 15189 15150 15704 15636 16037 15396 15499 16002 12574 12969 13529 15630 15397 15527 13326 13497 15396 13909 14546 12491 15745 16157 14632 14978 15925 16819 13825 14700 14895 15131 16389 16483 7147 6946 7422 8227 7779 6623 6718 7933 7947 6918 8208 8083 8914 10593 8163 14892 11264 14949 7877 13881 7282 8533 7729 10497 7909 8151 7971 7696 7493 8111 7554 8002 8178 7704 7597 8144 7612 7601 6911 7580 7649 6815 7729 6573 7606 7507 7864 7924 7859 8232 7774 7447 8329 7841 8113 7617 8475 8269 8205 8571 Choline phosphate 7799 2434 1959 584032 612062 583373 602407 602181 555260 612475 623364 605121 624928 616423 612076 595407 633951 602852 608395 615358 577787 601419 598589 599363 607032 617242 626790 539156 563710 592935 546006 612478 608029 601382 513257 502707 466989 602878 560949 621384 620402 636466 624345 623090 588350 627803 628953 636693 639710 649298 625779 631146 607133 631927 638904 634760 647899 581848 599345 612072 604582 619518 595832 691668 544159 658738 278201 277337 281529 282547 265207 274010 279261 273605 275877 276505 268176 268304 270873 261603 275982 272182 273341 268040 267261 275679 268212 268982 263861 267818 263944 271971 270925 264210 267738 260632 263281 258363 259130 264413 257691 195413 188717 232350 269037 272869 271432 235593 248254 276253 269527 274478 209803 275957 272133 280283 279171 274495 275959 279414 268541 278549 280925 275455 269720 182131 180427 156085 202068 204060 150382 183516 184269 184515 154070 187284 215095 194300 186055 189914 182160 184212 186930 190316 187406 190260 195496 192434 193814 186480 192238 194405 187797 196654 211719 186916 186658 191127 184978 182495 186333 183601 189869 191725 195952 181940 186085 179423 191042 182665 179773 175989 184347 191460 190113 188695 192904 185580 197145 188862 178188 186415 180999 181569 183547 Cyclohexylamine 53206 35240 64252 46485 48733 25514 44035 42934 43042 43329 44927 45491 31156 32180 31380 34857 39273 38500 40505 35943 36504 35667 33328 37181 46593 29300 30778 36296 35362 35824 45212 35643 38077 46732 42544 38973 38767 41239 34286 37901 36129 30372 40310 45818 42827 41731 44711 38007 43541 46225 32306 29249 41029 40932 31141 39193 37152 38232 42666 32957 28577 29797 33658 49951 30707 41630 3570 3356 3340 3369 3038 3486 3774 3576 3276 3303 3081 3634 3629 2994 3303 2876 2993 3279 3228 3224 3283 3475 3445 3552 3521 3349 3280 3234 2958 2924 3134 3262 3560 3186 3225 3625 3284 3876 3906 2919 4452 3268 3196 3370 3499 3840 3578 3710 3968 3617 3318 3213 3816 3256 3755 3242 3852 3486 3275 4252 4977 4683 5239 4124 4195 4306 3935 3532 3612 3678 3975 4379 4179 4489 4635 4264 4189 3227 4629 3435 3568 3730 5556 4234 3624 3570 3763 4451 3593 3923 4376 3690 3928 4013 4432 4483 4877 4900 4689 5335 5729 4833 4019 5766 3926 4160 4594 5118 5348 4735 5155 3955 4877 4595 5086 7068 4572 3590 4340 N,N-Dicyclohexylamine 1769 2199 2847 3620 2383 2530 2580 2827 4663 5247 3525 4349 3585 4061 5413 4810 3825 3306 3869 4771 4915 4166 4597 4984 4239 3582 5088 4932 12044 4989 5310 4728 6372 5867 7082 4013 6356 5923 5202 5856 5485 4233 3751 4083 4632 4754 4874 6225 3692 3239 4490 4392 6726 4947 6988 5900 4896 6034 4432 7228 3869 4190 4335 3535 5831 3795 4015 10942 2411 4656 4606 5376 9179 3909 4697 3953 2807 3792 4369 4583 2835 3774 2938 3403 3547 2487 3681 4327 10112 3279 8553 3308 2508 3478 2264 2241 4082 3293 4702 3565 2646 1951 3414 4792 3739 2924 9615 2846 3072 3124 4408 7788 2368 5241 2824 4048 4224 5345 3788 6407 3774 5288 5861 5897 2461 3080 2150 3496 2632 2633 1393 4995 3315 2349 3999 2683 2500 1803 3457 1468 1546 2625 2638 1448 1759 1013 1765 2353 3072 1895 1012 315 1765 530 947 1532 1120 762 1258 686 705 1901 1067 1110 1751 3626 2016 1027 1176 3063 1344 936 1504 4076 5713 1675 1680 2347 1289 1379 3750 4150 3041 1894 2005 Methylguanidine 62120 63026 63954 36921 36169 38285 34934 35847 36285 35118 35346 34590 38749 35396 34112 38594 40385 38718 38751 38413 38646 38451 38923 38497 38918 37913 38469 35459 35255 36092 36210 36629 36699 35329 36340 35595 35934 37147 36604 36756 34489 37103 36645 36653 36430 36498 37450 38080 38296 37992 38915 38823 37665 37475 38122 37718 38118 36373 38601 37015 37366 37498 38159 41502 37078 41227 49669 48428 45499 46186 44334 47356 50593 46833 50007 48194 47727 47582 43693 46389 44727 43650 48427 44817 45450 44152 48319 44674 43438 45192 44018 46145 45379 45477 46002 46368 46902 44674 46229 46256 45548 53588 55061 51962 46137 48036 46824 54099 54240 48175 47187 46239 54517 45699 49463 44074 46436 49992 50457 45284 47914 46524 46779 48299 50112 7319 7503 8255 6764 6077 7093 7443 5651 5821 7657 5825 6080 5949 6524 5946 7018 6800 7372 6327 6988 5650 6053 6032 6920 5981 6075 6181 6012 5625 5922 5892 5940 5845 5981 5915 5815 6708 6418 7171 6091 6023 7227 5659 7205 6179 5935 5643 5749 6144 7145 7070 7014 5966 7366 7783 6362 6840 6354 5959 6324 Agmatine 2700 2689 2508 23125 30671 7667 33832 26425 7275 29453 29575 28408 7583 26111 31708 8206 8090 7332 7421 7533 7983 7727 8050 7500 7652 7600 8013 6795 7380 6968 6573 7957 7646 7374 6370 6066 6513 7275 7006 7519 8236 7080 7738 7526 6661 7723 7517 7228 7004 7068 7118 7707 7898 7371 8012 8068 8337 7446 8045 7150 7602 7892 7092 6808723 6497251 2598562 12230 12345 11049 11691 10052 10819 11073 11127 11343 11064 10630 11329 19147 20866 10287 10143 22574 10498 20927 17084 21677 19283 20488 10088 9978 10417 10245 10622 10380 10562 10181 9688 10730 9847 10358 7011 6911 6690 9974 7091 8124 6344 6729 7624 10317 9841 6805 10749 11605 10389 9906 11404 11167 10325 11559 10790 10497 11752 11227 3012 3028 2933 1624 1728 2464 2015 4739 4858 2232 4613 1447 4538 4162 4432 3489 3518 3451 4176 3790 5474 4403 4787 4203 4555 4450 4559 4383 4647 4634 4793 4689 4542 4523 4531 4608 14679 14008 13820 10563 16797 21103 4638 16971 18425 12725 4653 4622 4861 5193 5397 6034 4537 5279 5645 3756 5050 4599 4638 3882 Creatinine 2151246 2098086 2197183 1834752 1913284 1743753 1871274 1936340 1674120 1824907 1823913 1706533 1782826 1782373 1762981 1692756 1728165 1733132 1707873 1710575 1572771 1624123 1669409 1610617 1635240 1667041 1705685 1738837 1539728 1594414 1781837 1809307 1801310 1768868 1859329 1806041 1835662 1625193 1859135 1656848 1745468 1942007 1789083 1750052 1854144 1734129 1877751 1613284 1891854 1973029 1663322 1697728 1644033 1756355 1673701 1665494 1681793 1574358 1637730 1613770 1623386 1650392 1663754 1734044 1436751 1752049 1823004 1794798 1771685 1807999 1719627 1764651 1749722 1758187 1795885 1752440 1740209 1740423 1677061 1771143 1722310 1679816 1747718 1682934 1686121 1746160 1726299 1736158 1679916 1783969 1714683 1748865 1736707 1730484 1736862 1738434 1717764 1674481 1707047 1689797 1702674 1826273 1838189 1797400 1745783 1793189 1757644 1808811 1827344 1751314 1693309 1741643 1852805 1712386 1698735 1743378 1726243 1632990 1645198 1641219 1615420 1625785 1718373 1530323 1574410 1473395 1506700 1504676 1404493 1406759 1462515 1472678 1252200 1283111 1492098 1277128 1427723 1421085 1151943 1325863 974393 1238718 1019747 1329111 869636 1340255 1402629 1236720 1260504 1316087 1299142 1338474 1320995 1367166 1390730 1343295 1347710 1319799 1314531 1300866 1308973 1490169 1470956 1526938 1453757 1386607 1486024 1298029 1520683 1439845 1389377 1259336 1284169 1341303 1534848 1504497 1492044 1318963 1547700 1494546 1303308 1505778 1399392 1328887 1338131 Biliverdin 10641 2731 6574 4103 10523 13329 5297 753 7042 3818 2019 2302 210 2966 5873 5529 2676 3258 7630 5003 2728 5441 8069 3321 11173 4009 4827 2011 1184 3773 1845 7835 2285 11580 4626 6164 2933 2784 701 2503 8706 1909 6373 20481 1054 11173 4815 12659 5183 2031 2559 15968 9452 2930 2468 3076 2191 3267 3649 4523 3193 26772 19108 20011 59970 20050 32287 33912 17872 15814 12505 14081 13 6381 11709 5403 6187 4270 5675 7097 3928 6020 10384 11934 6986 5573 4031 7064 5297 9776 2228 16021 2657 11854 6326 2693 3572 154242 160009 148781 191021 187338 164747 186031 219429 204967 148218 185236 167526 144054 2873 244302 1461 7695 2084 82231 416 176852 167279 155224 6771 122081 142937 133074 128504 137660 133842 132223 105658 115579 116474 133671 131142 151466 138408 137057 176851 176976 122648 169415 144225 143548 163094 184178 172641 29512 11 120768 90863 3525 129076 34241 Quetiapine 15767 13615 17208 13883 18831 15438 15159 15498 16247 16057 15845 18723 21466 18076 18608 20038 19092 16756 18491 18795 18660 21554 20301 21859 19133 16649 18338 18967 18049 18226 16396 18024 17427 14748 17367 13929 16871 19179 11700 10383 18155 12150 17278 10608 19206 13218 12040 19480 17884 17652 18187 18165 18773 17208 14801 17324 14145 17022 16630 16971 6423 5622 11132 17775 16961 17127 16626 17096 19440 17826 16935 19633 15990 15168 18770 15500 15303 17086 16439 16441 15658 17138 16306 17528 17336 14751 18397 17300 17152 16836 17545 17941 15650 18168 17718 14800 17621 15429 18909 19048 18370 17498 16591 17900 16815 18936 18575 16894 19154 18685 17967 16609 17139 17965 16364 17309 19284 19059 19278 18651 13809 14713 3641 5000 3728 5360 5281 4429 3859 5154 6272 4202 6305 5017 5366 2334 7273 3324 4751 3764 6405 1002 6276 6319 7069 4249 5902 7257 5762 6285 6668 7399 6481 7547 8571 6171 7336 8152 4901 6334 7400 4106 7043 5530 6916 5289 6114 6713 7064 6791 6556 7288 8399 7808 6973 6833 8324 6679 6791 6926 7229 7043 Biotin 88002 78527 88165 69654 72102 81151 66649 76493 55962 64379 66620 66923 62495 60832 63639 60273 64856 69863 74189 59729 70100 60444 75914 59046 79341 59714 62457 63964 57805 62299 70101 70972 68313 61702 65244 65332 68145 65662 63998 74695 68650 69088 67560 60357 58704 50330 80884 62815 63998 54773 78877 71875 58952 77574 57995 66425 64181 57498 68730 65030 72064 63718 72649 98053 59490 94953 980538 1032611 1010598 1019881 957268 953722 1000310 910089 980376 932967 912919 924378 943803 980590 1008419 957849 950133 926940 935621 961358 969066 952438 928648 988152 903944 940565 938453 923612 952468 915166 949432 919459 905005 917424 898959 912043 857115 869180 911396 894968 895133 873293 914729 910346 882291 880886 928295 893547 914720 904609 890792 935308 915499 895490 872198 891702 893830 934259 914740 1038622 1051423 1027159 850334 1074879 1058344 1034408 1112203 1091581 853403 880198 1110697 1085168 812302 1059310 990409 1008181 1019082 1003045 989884 1000337 1049588 1041933 1009021 1028688 1025840 1066203 1028716 1029694 1103280 1017137 1003801 1047610 996553 950183 944956 998317 945077 1050531 1016674 942359 988658 938633 997590 976438 883627 940417 974099 966713 773995 821531 805546 933665 823514 839706 958819 842054 930697 948270 992816 Arecaidine 19 20 23 21 54 157 48 1493 1474 955 960 911 1439 1776 990 1429 1528 1097 1153 1115 1450 1046 1018 1546 908 1457 1223 1152 1340 1199 1029 955 1197 1103 1110 910 778 895 1075 1103 935 881 1531 1396 1417 661 697 1070 1426 1171 880 778 740 1308 677 1157 885 1052 1055 1186 892 1538 1207 1255 1684 1147 29 72 34 24 32 32 16 40 27 30 Imidazoleacetic acid 4869 4728 5100 2880 2921 3058 2802 3044 2747 2807 3160 2723 2708 3020 2992 3289 3052 3135 2843 3060 3361 2811 3025 3030 3326 3276 3305 3225 3077 3097 3264 3276 3125 3167 3175 3292 2902 3213 3422 2814 3080 3529 3303 3176 3461 3315 3735 3362 3703 3364 3216 4303 4212 4448 4398 4281 4349 3983 4081 3332 3531 3753 3443 4483 4342 2952 4930 4511 4756 4619 4695 5014 4927 5189 5220 5221 5070 4617 4275 4680 5127 4556 5538 4605 4215 4321 4414 4443 4250 4889 5158 4201 4659 4619 4684 4721 4779 4534 4369 4334 4159 4521 5072 4554 4391 4323 4506 4666 4440 4404 4405 3996 4487 4375 4287 4388 3973 4458 4546 4522 4307 4158 4546 4296 4635 1035 894 1289 964 871 1334 837 709 954 1219 952 865 1088 944 768 949 772 715 736 934 939 765 926 736 913 713 904 737 976 848 931 1100 927 637 818 894 906 880 1034 730 635 963 841 987 818 818 867 975 776 1130 1170 1074 1033 1045 826 851 1126 896 912 842 Urocanic acid 23181 29587 28471 30208 26617 69036 27431 44997 73174 41264 33509 40514 26402 68311 41535 47214 25977 24885 29668 24199 59048 32819 29600 41487 29637 34469 111296 100245 116430 50963 92771 81820 75061 91955 80049 105252 75721 38677 81484 80556 393423 1232796 920170 242869 1274353 301983 971762 137379 1292151 1167407 119617 34763 25799 23310 46271 22730 213063 89361 43908 54788 52699 35623 31460 21025 49413 30276 1698378 1636281 1629056 1672058 1479644 1697485 1739268 1621937 1620332 1549947 1606694 1678839 1506515 1434683 1607807 1584483 1440877 1578901 1417470 1439685 1473126 1454355 1449060 1452264 1579516 1591311 1512930 1534307 1585361 1544805 1538195 1518152 1565110 1561082 1549991 5813252 5975310 4369226 1534954 1471914 1466761 4261519 4491225 1463698 1592630 1541985 6228390 1881905 2607217 1576004 1606378 3075496 2704242 1604233 2574349 2068084 1889023 3310769 3160874 1443878 1368662 2618944 121617 111371 2648443 1482214 19767 20342 2450946 17094 136338 1195353 3033753 103132 3357639 3002922 3414927 1651052 3740316 63977 1273447 92989 3096921 43274 16047 9990 27792 18968 59172 16341 13047 13657 10642 41784 16919 9668 9215 13425 9246 10802 9086 16350 8037 6906 11323 14286 14326 17918 5055 7307 9834 35929 8088 8991 9509 4657 15020 9803 12297 Imidazolepropionic acid 10064 9362 9612 9310 9315 9643 9216 9270 8597 9996 9773 8875 9963 9646 9033 10073 10427 11093 10795 10494 10031 10936 10795 10811 10734 10774 10783 9719 9525 9591 10059 9772 10125 10444 9881 10325 10455 10072 10894 10391 11037 10949 11200 10598 10644 10619 10164 10392 10613 11080 9897 10213 10083 10106 9152 10077 10035 9792 9412 9693 10185 9881 9903 11037 10759 11254 89176 95661 98410 98045 87258 88276 87327 88539 85395 88212 84157 82332 90396 89687 90456 87698 86263 88148 86847 88267 86156 87723 84496 87458 83998 87863 85157 86638 86256 80631 82033 76252 80161 80524 79085 76121 76595 77228 84314 81652 82193 81271 81752 86696 87221 88768 87870 91021 91623 91754 93811 97790 93933 96976 94394 96530 97781 97526 97418 354 238 378 106 248 544 202 333 285 381 252 227 510 734 450 672 384 630 489 375 306 406 594 759 412 571 792 207 313 457 532 554 225 366 583 504 495 631 316 634 646 635 678 488 220 609 524 352 314 870 1028 1296 824 1124 1649 252 1239 699 367 675 Methylimidazoleacetic acid 1507 1841 1902 1667 1765 1695 1696 1669 1663 1435 1747 1520 1699 1540 1795 1526 1641 1358 1726 1359 1454 1527 1631 1676 1510 1662 1901 1553 1587 1499 1685 1765 1695 1483 1660 1769 1635 1378 1524 1608 1594 1748 1559 1632 1582 1641 1570 1656 1954 1569 1616 1746 1733 1840 1679 1628 2007 1472 1690 1848 1696 1786 1653 1640 1556 1671 6080 6440 6042 6300 6436 6241 6438 6810 6141 6834 6744 6141 6714 6736 6739 6544 6658 6415 6723 6583 6337 6381 6358 6187 6622 6483 6404 6262 6545 6445 6638 6031 6332 6039 6332 6214 6646 6206 6456 6364 6183 6327 6006 5921 6376 5708 6527 6240 6738 5962 5766 6275 6292 6219 6267 6234 6102 6432 5980 41 36 123 49 56 39 102 37 34 112 50 54 38 45 32 47 Indoleacetic acid 59101 46613 51815 134 168 55 180 142 29 97 211 146 136 197 144 126 106 104 79 107 59 51 107 18 107 87 97 79 81 62 92 130 40 111 119 85 99 12 101 119 21 72 117 63 49 70 81 104 79 119 74 119 98 106 155 84 98 58 134 195 109 79 50 859 596 538 4251 4000 5241 4916 4575 3867 3211 4092 3313 3622 3862 3126 4104 3825 3951 3636 3571 3534 3689 3655 3740 3269 3493 3241 3910 3543 3824 3541 3378 3779 3617 3150 3253 2845 3474 3255 3415 3267 3341 3454 3282 3582 3229 3281 3583 3372 3381 3054 3198 3298 3236 3246 3435 3001 3258 3054 3363 3383 3562 255 254 414 257 287 396 248 196 149 608 132 256 128 205 84 107 43 223 193 204 153 167 106 126 216 388 175 240 154 154 29 274 126 205 364 455 704 1028 285 131 996 226 1038 584 311 146 230 204 180 369 408 114 437 286 178 325 140 231 170 Indole 152 150 124 7 8 10 7 16 14 6 8 9 10 11 19 85 7 7 1838 2244 2780 46 15 45 37 30 10 17 12 26 14 30 26 13 12 24 53 23 32 24 12 25 47 10 17 9 14 23 15 18 24 13 13 20 21 15 15 10 14 12 23 12 10 31 13 9 9 9 5-Hydroxytryptophol 3128 2650 2982 2053 3271 1300 3116 2987 1554 1916 2626 2272 1817 2879 2634 1415 1700 1544 1386 1779 1625 1459 1495 1472 1839 1955 1857 2457 1249 1512 2674 2342 2093 2229 2600 2422 2973 1667 2304 1992 2559 3643 3572 3862 3067 2986 3126 1895 4022 3851 1930 2574 1911 2190 2820 2495 3029 2509 2979 2417 2439 2570 2848 5113 4474 5413 8639 9369 9798 9759 9784 9364 8677 9369 8855 9870 9887 8506 9296 10060 9701 8827 9742 8336 9288 9333 9167 9399 9150 8468 8739 8832 8002 8587 8398 8279 8068 6869 7831 7497 8731 9005 9345 7733 9032 9216 9026 9663 9181 9136 9027 7770 9526 10867 10530 8869 9387 11068 10786 8343 9915 8896 8750 10369 11424 6278 6799 7394 6887 6661 7172 6684 5924 5432 7495 6234 6882 7309 12368 4951 19457 9380 17486 6566 35853 5378 6688 5119 9158 5365 5834 5938 5869 5696 6786 6049 4809 6073 5427 5426 5411 6754 6403 6754 6796 6127 6608 5505 6863 6129 6402 5695 6219 6777 6374 6133 6160 4709 6740 6700 5448 5822 5596 5771 6038 Tryptamine 493783 446942 491952 10363 10366 9284 9700 9778 8839 9385 9163 9200 9130 8343 8780 7868 8260 8017 7608 7670 6975 7455 6753 6750 6782 7217 7617 7117 6951 7310 7709 8029 7460 7209 7362 6968 6954 6652 7521 6842 6596 7237 7174 6746 6635 6071 6146 7132 7224 6965 7493 7166 6645 7312 8063 7083 7284 6627 7107 6834 7186 6841 7121 6777 5461 6434 15297 15004 15071 15298 14482 14589 15776 14016 15368 14754 14516 13232 14200 15078 15211 15226 14335 14492 14621 14639 14957 14948 14665 14098 14017 13879 13892 13518 14335 13992 14906 14036 13941 13603 14352 14991 15382 15395 15619 15471 15969 14828 15631 15728 15216 14872 15583 14262 15442 14749 14482 15675 14969 14330 14798 14297 14691 15200 14568 1116 1431 1737 1232 1781 1883 1431 2222 1761 1153 1314 2037 1630 858 1861 1602 1419 1356 1358 1494 1344 1532 1655 1865 1471 1159 1741 1044 1642 1469 1365 1180 1253 1629 1525 1620 2074 1811 1490 1554 2467 2313 2126 1875 655 1818 2178 2140 1737 1347 1204 1080 1539 1429 1642 1328 1761 1184 1985 1922 1H-Indole-3-acetamide 734 385 493 645 346 225 336 448 40 263 329 469 150 397 274 244 363 359 335 320 214 243 284 222 170 288 232 226 136 169 249 278 211 445 360 210 249 149 224 297 442 259 145 261 133 130 248 407 309 356 382 243 55 286 425 363 525 442 238 520 419 384 437 656 286 135 1502 1639 1992 1690 1608 1740 1313 1789 1257 1772 1839 1678 1551 1683 1629 1934 1318 1650 1442 1434 1532 1694 1449 1860 1703 1631 1391 1590 1777 1548 1557 1357 1621 1166 1458 1480 1623 1442 1593 1443 1571 1528 1265 1444 1555 1660 1545 1382 1174 1747 1266 1402 1487 1661 1356 1398 1346 1360 1536 611 551 538 639 581 545 615 541 486 627 733 633 499 612 632 643 652 763 880 688 777 611 818 713 530 752 773 878 629 962 775 509 809 903 729 779 612 880 915 853 843 767 997 981 832 806 737 859 917 739 844 821 602 673 658 633 738 588 910 821 Acisoga 1698 1763 1980 1696 1938 1821 1962 1743 1926 1674 1737 1909 1979 1754 1961 3192 3241 2434 2809 2980 1686 3170 3549 2778 1945 1864 4084 1951 2128 1819 1709 1904 1693 1866 1691 1579 1748 1921 1879 2998 1531 1589 1977 1782 1298 1593 2427 2133 1588 1514 1650 1838 1081 2172 2104 1764 1970 2244 2281 2069 1936 2103 1876 2171 2020 1984 11978 11460 10480 10546 9655 11278 12617 10511 12267 10629 11106 11743 9755 10747 10824 10110 10023 10048 9875 10477 9901 9669 9434 10127 10560 10536 11183 11388 13068 12909 11177 12257 11287 9911 10192 9242 9172 9709 9944 10062 9810 9352 9597 10463 9888 9453 10274 10172 9972 10713 10426 10514 9928 10680 10377 9955 9724 10735 9936 1087 434 1054 995 623 848 346 206 227 383 306 604 279 782 205 852 118 471 650 366 380 155 260 653 408 173 960 640 514 1048 466 529 1153 247 533 580 590 900 418 403 519 752 610 786 569 526 282 376 277 196 446 818 495 306 137 730 323 468 358 Protoporphyrin 569 173 204 163 190 13 8 6 2 61 4 549 67 112 2 3 62 2 186 20 251 8 145 61 1 127 69 1 143 301 100 689 400 1162 156 126 3581 13888 18697 11549 17727 21103 20378 15773 3524 15690 21966 4877 895 4300 1520 960 1234 844 1313 583 372 348 273 179 94 9 12 1328 316 37 3 11 2 244 151 173 13 4 31 461 14 2 22 20 21 3 5 26 551 12 6 547 2 13 1 2 101 4312 45 1018 210 2070 1757 613 1 922 2 211 3 28 9773 9538 4705 606 10675 13051 5688 8099 15213 14707 11537 20282 248 10 201 21 11 44 6 26 1156 12 347121 617745 3898 649904 649758 734275 570235 642420 7170 323469 3002 703569 18 10 163 219 256 2 577 3 174 2 1552 1724 2255 1366 1682 4431 3662 2079 6265 2312 20 275 24018 42285 44719 23350 462 33239 30187 939 21922 29072 866 32263 Pterin 2919 5888 3419 25279 19312 26638 18822 19494 25257 25895 20579 25893 26569 19317 19926 25153 26528 25787 26998 26377 26305 26545 26997 27010 27528 26385 26911 16707 23128 26550 16550 27851 27163 27206 14457 11591 13667 26100 17781 28481 28191 14253 14207 30563 15247 28983 12876 29738 16188 13842 29237 3554 3470 3482 25607 3941 3574 23089 3534 30372 29751 24160 29220 45306 28269 18835 4335 9608 48627 46180 44596 7024 5131 19344 5074 21630 21002 9869 36366 28315 44397 44163 28412 43709 30033 37286 29110 31095 30532 45200 45660 46157 45232 44084 46167 43867 46410 45825 45813 44406 45608 9702 4859 12766 42369 29496 29624 17395 17497 31227 44172 42360 9963 40802 34867 43211 44116 34871 37369 43413 35200 39382 40860 35316 36176 12728 13353 12167 13954 14377 12689 13111 34561 35906 13157 36638 15053 32726 19113 36097 17133 19234 18471 28843 18515 36833 33846 38841 20614 38702 40185 38461 39812 37939 43177 38213 40253 38181 39006 37599 35751 16411 15480 15229 20756 19204 14458 37717 14984 15352 19905 36241 36837 33854 4434 4709 2966 37294 3632 3721 38389 5217 28615 38614 35435 N1-Methyl-2-pyridone-5-carboxamide 920 892 945 1090 1081 967 1109 739 1354 1158 1305 1344 1641 935 1259 1471 1452 1513 1543 1577 1728 1506 1621 1632 1394 1853 1633 1875 1788 1906 1623 1876 1699 1921 1633 1913 1869 1944 1716 1718 1634 1539 1861 1887 1801 2030 1566 1787 1577 1836 1913 1891 1757 1735 1801 1881 1911 1741 2302 1883 2060 2112 2169 1699 1923 1700 8783 8701 7253 7555 7317 8476 9206 8659 8374 6984 7964 8531 6760 7180 7211 7512 7647 7521 7324 7272 7867 7198 7074 6764 7122 7722 6507 7753 7165 7112 7250 7062 7068 6935 7565 5849 7198 7119 6488 7749 7047 6990 6211 7321 6635 7139 6473 7296 7028 7197 6836 6944 6627 6557 7638 6776 6538 7162 7318 3178 3472 2971 2546 2773 2891 3701 3089 3006 3148 2832 3194 3005 2572 3151 2853 2933 3301 3301 3516 2914 3244 2837 2405 2643 2688 2934 2714 2746 2970 2738 2777 2763 2875 2716 2806 2588 2950 2760 3000 3183 2501 2757 3014 3113 3011 2612 3100 2438 2356 2467 2128 2469 2781 2399 2603 2531 3050 2756 3029 Niacinamide 4669 1695 3558 3413 1419 142113 1930 3790 136240 4073 1659 3596 140415 597 8022 158183 154272 156706 170140 155878 158507 155861 158886 157688 166497 168859 193458 1328 164932 139293 1356 3113 2022 3931 2477 4595 2386 143177 8004 93569 626 450 513 1153 1424 300 1043 99497 1122 1144 89661 5310 8547 891 31205 2644 4193 39440 19294 149335 153013 5611 142723 1404 3290 6708 7253 3936 443115 419345 397251 2511 707 1232 2109 1693 2955 2382 15311 9715 411015 397799 2511 398428 5079 10549 1284 10046 9671 412354 405410 419597 405150 410389 414653 402847 405566 396541 397482 400544 401957 2354 938 679 399616 853 3057 2260 870 954 388134 392576 2169 2172 938 365892 361896 916 2109 369919 981 1467 1496 1014 503 2265 3268 4112 781 1568 4536 6721 873513 868325 1644 826671 23776 2914 3539 783308 7529 2246 7777 6082 1500 769261 2331 790478 1105 880476 894006 899730 888808 920535 943476 895678 863088 890532 882986 869139 849688 2908 3833 2893 1304 3125 1240 741167 1622 2983 2077 767282 799064 183503 1868 2160 2990 819138 1906 2567 782465 2238 1066 803892 229685 Nicotinic acid 507 2442 767 157890 130846 102490 117599 128184 93692 149030 122161 148434 98204 120358 113536 88519 91387 91686 94655 91258 86029 89729 93053 90417 92971 91430 93997 99715 87310 90673 98854 120142 118289 119237 94027 90320 92012 94996 100926 115525 132011 105314 106613 128725 96365 120481 105341 115662 102753 98854 126157 76204 71229 77552 112067 75648 77206 104265 72364 95279 92825 110528 94590 112852 75989 116827 320685 330116 144946 141681 135384 307445 321484 321581 321464 332022 315608 311816 355134 369092 138635 138038 347982 137882 338959 365621 355828 349001 337870 136333 129553 133417 130876 134227 131388 131728 131269 127557 129687 133563 130994 327224 327090 324760 134804 338704 335553 328981 354520 336261 138878 137563 349959 368153 363086 163933 164108 371389 363665 152629 354659 358536 373870 371522 360494 545246 561639 543844 508070 567043 551208 559001 206455 203622 532570 188392 584070 625764 556119 257315 609182 613328 608086 636914 638954 253262 660454 246368 639116 209656 214743 213045 217160 217788 225560 212834 208254 215099 207454 200515 204576 609087 622299 614234 665130 620524 588514 215523 614694 585211 619605 216121 216677 503755 448612 460755 458857 211109 461800 461204 208565 457428 576176 213830 507622 Trigonelline 17949 17769 18839 21111 21819 21881 22690 21328 22489 21612 22562 21592 20931 21436 24037 20692 20515 20657 20091 20310 20438 19854 20268 20362 20497 20872 20956 21197 22111 21489 21838 21523 22056 20958 20732 21400 21347 21573 21339 21751 21815 22540 20718 21972 21716 21939 21342 20995 22128 21682 21788 24152 23278 23227 22698 23038 22906 23604 23395 21044 21479 22408 21239 19981 18246 19958 68582 70056 71415 71175 69557 71689 69747 72534 69931 71582 72682 70998 70762 72220 69861 69949 71599 69805 69180 68287 69716 70410 70519 70479 69962 71726 69315 67991 69275 70088 69585 66611 68077 66059 69503 70704 71673 71254 68972 69159 69751 68781 68815 68206 69000 65698 74327 69783 70210 67626 68269 70630 70849 69030 71181 70162 67632 70592 70078 92712 95540 106933 83124 81983 102958 94109 76724 77804 104365 78539 84822 80628 88085 78481 92230 87145 92631 82083 91511 78387 80074 80481 88108 80065 78944 78309 78609 79808 76500 79062 76251 76881 78510 76713 79190 82056 79840 91253 76136 77123 88098 73329 90719 79478 74224 73476 76728 76157 71494 71043 72076 74180 74177 74240 76415 71219 76059 74366 77632 Pyroglutamic acid 10622399 10879959 10814300 7147902 7937698 7255097 8138980 7987658 6777640 7433327 7965066 6910777 7037008 7657114 7817606 5904856 6639908 6296228 6163978 6325990 6018212 6137218 6413023 6082688 6459246 6525581 6596467 6673153 6296546 6819740 6834423 6803040 6968927 6710081 6870316 7164233 7245029 6545347 7214400 6969243 7275338 7794484 7334739 7230164 7362947 7352429 7165410 7267700 6959088 7492767 7453767 13127792 13116443 13523507 12494073 13553064 13130630 11824803 12471655 7116031 7222478 12190965 7484816 7332043 5920153 7396608 28406652 26815460 18253558 18288901 16914168 25314200 28418916 21616687 28450418 22107401 20798490 25390970 17651751 18495499 17471090 16402628 17940473 16563762 17326394 17433323 17913716 17317814 16549030 16375874 16069720 17006256 15646305 16796448 16027045 15906524 15945604 16085613 16217498 16220247 15919399 15089028 15351882 16013513 16561670 16275328 15851612 15710549 16375603 16263455 16059433 16277695 15858216 17576753 15991988 17163335 18020113 16849554 17287631 16654555 17022812 16927039 16146741 16913123 17011858 17482912 18062089 17024155 18152770 17784336 17156514 18200398 17196446 17586306 17495876 17201292 17845761 18334292 18651293 17671616 17810147 18949266 17792321 17304245 19466951 17448987 18441654 18630115 19243532 18104629 19025214 18598752 18888010 18397035 19853751 18119588 18041267 18474345 19512027 17524568 18299839 19052398 19365621 22203245 19363538 18742323 21728669 18591660 20351023 18898107 18027685 17086130 18003175 20597815 22406038 22670334 23189695 16941798 25111749 23372354 17224919 22939155 19821320 17015018 20378483 Kynurenic acid 76427 78879 85083 11731 11480 7231 12355 12663 7201 13792 12680 12904 8127 12049 13174 7407 7775 7361 7912 7920 6223 6857 7911 6975 8098 8053 7716 10791 6758 7798 11608 14121 13256 14368 10916 10798 10135 8734 7570 9320 6969 11171 10465 7933 9895 7492 10285 9884 10460 10889 8701 13041 10248 11867 15184 11915 12128 12628 12098 9682 9177 15984 10593 58422 40067 31181 144688 143597 144944 133691 139539 133912 137033 134599 136636 133959 131102 130338 128437 118169 125053 125066 115238 117344 111658 129099 114366 113377 114000 127380 123879 128658 122913 122490 125675 121639 124452 119583 119802 123338 125521 96892 103570 110601 124167 114401 121442 96430 101305 101961 128172 127498 102323 111975 103806 122329 120168 108932 104069 123411 105067 102411 106801 107617 111306 7266 7077 7022 7609 7556 6550 7363 9556 8640 7197 8710 7805 9396 8992 9295 8807 8643 8932 9922 9485 8928 10613 9950 9435 10570 10365 10472 10083 10947 11493 10032 10132 10558 11569 9589 8565 8812 8994 10015 10909 9736 8884 9988 8684 8755 10802 10479 10523 13083 11137 10636 10435 11676 11296 10608 11256 10482 13445 13616 15331 5-(2-Hydroxyethyl)-4-methylthiazole 3127 1242 1713 8795 8426 11085 7787 8119 10869 8615 8062 8602 10753 7452 8012 9415 9603 9479 9489 9660 9218 9360 9436 9321 9438 9311 9398 7984 10125 9919 8060 8420 8355 8388 7900 7495 7792 9675 8423 8555 1211 105 33 238 141 217 79 9437 108 215 9057 10363 9681 10499 10477 9950 10088 10677 9964 10376 10176 9917 10451 9632 8196 8045 185886 178823 184181 181650 178536 173152 176512 175908 172794 177277 174524 167623 167949 167509 176938 171409 167793 173416 167194 175574 170016 171039 170720 182996 179045 180603 180365 179649 181673 174944 183862 181179 183490 183668 184505 183020 179262 170074 185056 181802 174104 175601 185079 180770 187733 185516 181384 168081 94220 177070 180436 53546 93979 180444 87988 157343 168995 51147 54991 163766 166511 159962 162044 166393 164634 163763 184711 182932 165644 182667 173992 156762 64504 192584 39425 81340 46102 152532 26973 196187 165091 196955 91500 197399 204297 201583 204064 212538 215893 206607 214920 207831 212035 205195 204331 183226 177413 178756 189423 176906 174673 186455 184240 172444 174424 183075 190328 189905 186506 184117 180049 188467 187623 181943 192466 184644 181482 195995 198548 Serotonin 75095 51093 63208 7984 7515 7495 8126 7463 6344 6579 6946 7153 6517 7127 6549 6041 6543 6863 7117 6032 6978 7173 7591 7140 7259 6953 7366 7053 7260 7368 7716 7949 8140 7533 7838 8133 8197 7127 7855 7279 7310 8092 7359 7690 7633 7343 6931 6604 6522 7332 7148 7202 6404 6950 7374 7751 7519 6646 6352 7178 6359 6585 7042 8619 6355 7645 7956 7836 7955 7633 7743 8274 8106 7857 7940 7439 8076 8378 7458 8236 8674 8410 8262 6853 8118 8380 7710 7248 7911 7810 6529 6747 7372 6793 7098 6376 5802 6551 6568 6235 6369 6363 6304 7274 6521 6752 7187 7031 7194 7232 7165 6866 6733 6821 7232 7435 6810 7515 7379 6419 7381 7120 6931 7207 7761 4052 3093 3657 2935 2837 3723 3786 2232 2306 2980 2521 2988 2900 2984 2787 3113 3481 4038 3272 3870 2323 2950 1996 3691 2057 1971 2727 1907 2345 1546 2004 2234 2002 2046 1965 2263 3139 3794 3789 2580 3104 3569 1885 3801 3234 2941 2441 2430 2296 2936 3236 3045 2633 3047 3428 2230 3385 2695 2641 2981 Allantoin 185121 159118 185303 149589 182256 235684 169734 174785 141380 165296 151389 147360 149067 222345 169496 181370 195676 225447 193645 166235 165109 175464 232689 182060 257030 130255 186667 200420 162286 167891 141630 141064 190587 152505 174287 157099 164184 134243 123318 218047 156757 159042 163977 186109 146696 153924 151437 141150 145974 220133 130465 165247 181876 176021 161076 183126 183734 120789 175738 151268 121464 142782 166736 165371 132532 162445 223007 288251 236631 243919 249615 270242 255851 324425 312597 323099 313693 263798 288614 270103 245084 229965 260634 304471 304354 287436 262266 216859 197122 339162 195470 345155 331157 284280 297769 331529 287877 262624 254428 279756 315140 252841 296386 331473 342401 372484 262375 346627 288599 350885 317673 324044 278765 235358 318035 321038 306065 251897 257292 296422 299583 311132 307839 229245 354443 201329 217843 235765 227279 210104 189407 247078 229783 203994 235988 230886 253849 250159 206790 218588 230422 264118 209529 182118 261349 238228 245273 184130 282044 260581 243531 221456 195618 213722 243701 221454 247100 226635 233890 266824 196202 225191 188124 202693 206585 150471 214307 143773 181794 148109 181573 138731 189737 228645 166155 203774 176567 207802 137175 216182 190409 155047 239658 253600 227921 trans-m-Coumaric acid 898 704 893 259 345 239 242 264 169 210 253 324 353 212 214 202 233 283 101 147 171 122 194 182 250 369 300 550 237 196 335 490 255 417 315 363 354 266 437 231 448 453 502 105 379 380 440 321 405 633 167 1296 973 1501 851 1330 1435 1104 1460 423 302 1189 493 741 690 374 2284 2073 1350 1138 1345 1962 3014 1980 3080 1455 1696 2405 1934 1374 1564 1831 999 1465 1253 1238 1496 1052 1141 1517 1263 1573 1189 1483 915 1136 1059 1086 1185 1333 1379 1216 1191 828 1251 1105 1332 1089 811 1272 1071 1239 1185 1130 857 1479 1313 1209 1223 1347 1034 1012 926 1062 1457 393 345 481 204 276 387 155 71 168 394 176 293 62 44 118 177 187 158 171 262 221 151 191 159 48 145 146 74 197 199 112 42 154 136 222 132 252 240 328 327 210 288 166 390 145 247 188 206 158 855 478 1343 155 1614 1075 154 740 156 242 259 Phytosphingosine 23 20 32 25 42 80 25 53 278 90 12 30 18 146 185 145 467 501 291 1340 705 518 1026 7975 956 1194 268 2772 117 158 611 239 51 146 211 49 289 763 487 272 545 294 138 1042 834 137 78 152 88 105 161 249 71 472 275 149 50 54 80 126 102 170 60 43 47 111 45 1165 118 91 139 112 248 80 63 66 126 133 160 119 176 481 317 1314 472 361 80 397 585 83 452 3754 242 86 203 136 109 96 188 527 247 335 531 133 252 619 988 561 80 671 940 103 205 105 228 620 100 334 91 107 413 265 116 380 167 156 168 604 480 569 528 244 171 484 189 409 601 433 640 277 578 269 Sphinganine 97 239 103 145 136 225 241 279 458 317 304 222 79 828 309 383 573 396 546 271 1051 995 763 1343 1437 989 1465 329 1059 540 267 402 388 535 1136 516 481 1317 358 880 1737 439 340 457 2704 171 235 281 928 682 673 1153 4828 576 1010 448 900 904 861 546 420 591 174 186 391 219 306 184 86 30 77 70 345 322 68 393 135 194 117 180 254 132 68 175 55 440 223 423 152 245 80 68 155 704 199 62 108 144 129 73 155 168 81 156 99 129 223 111 522 323 73 145 166 380 195 239 137 254 1491 C20 Sphinganine 2318 55685 1224 3289 707 3738 1860 4293 31743 2267 31318 3325 999 1651 11544 6248 3791 1800 8479 2040 101574 3289 5057 10019 10201 5158 35110 2798 67303 6112 1482 1410 3892 2181 3942 8847 17214 3721 4602 8186 2456 1708 702 1529 5669 595 580 1290 924 4855 2275 2911 4275 978 2009 1378 1801 5894 590 2001 1975 610 396 1108 1739 1254 834 2148 677 835 703 451 1547 618 3546 1147 1109 2653 487 1274 3685 4168 673 727 1794 660 3356 1134 1607 1093 2450 183 1667 508 676 2869 1368 2319 1391 252 1142 541 132 310 686 1087 436 515 375 286 855 1379 1940 550 1080 493 421 216 346 2697 187 398 133 677 159 1357 1180 514 1210 142 1112 1349 410 410 545 288 355 2311 386 842 5644 3364 2392 195 2495 1279 3009 1352 1188 271 2939 138 359 1069 910 412 3317 349 199 127 7937 1173 224 2226 3025 541 810 1553 Glycodeoxycholic acid/Glycochenodeoxycholic acid 45415 45054 46614 48615 51747 51227 49144 50393 46979 44990 46441 45765 50498 48522 46376 48271 48034 52229 47639 49528 49334 49588 51360 52109 53534 52475 54644 51025 51268 53881 53848 55255 63668 54777 54687 52668 57120 59205 56637 54857 177 124 268 373 318 99 357 54622 106 88 52977 254 165 87 97 100 89 80 57360 53358 185 58625 41784 30277 38788 223 222 374 838 207 116 501 250 117 472 180 447 299 136 327 170 124 409 124 377 138 383 217 127 174 175 155 166 4600 5302 5235 4723 4061 5616 5249 3531 3781 5320 3271 4420 3492 140 215 2782 3707 3996 2671 1793 2343 2719 3278 2038 2344 2564 2997 2620 1964 2918 3288 3340 2433 4033 3480 3530 4558 4057 3475 4433 3007 972 346 2515 3916 106 225 3235 1034 Glycocholic acid 283 196 286 542 488 252 612 827 421 467 854 343 601 736 743 295 497 117 621 121 556 420 337 333 427 156 104 405 412 490 453 460 682 614 80 632 949 366 186 386 107 100 430 385 318 850 70 288 124 134957 135228 129860 132 32699 56646 46065 126479 126154 125825 121890 128900 121111 122620 125530 124487 121067 118388 126115 117231 119577 115915 119765 119349 114276 117395 110156 112452 115248 112603 103707 104279 111478 111098 117396 112932 109079 114550 112653 114762 111782 109781 108770 105628 116607 80 85 973 582 530 335 452 254 488 78 281 228 260 291 134 543 372 404 437 366 695 340 664 198 239 4 109 3-Hydroxynorvaline 4589 4333 4523 2217 2107 2201 2184 2381 2190 2264 2440 2367 2454 2503 2348 2400 2532 2386 2364 2475 2377 2555 2632 2433 2520 2465 2599 2724 2014 2581 2394 2632 2946 2416 2948 2577 2660 2370 2637 2507 2732 2976 2834 2395 2841 2433 2823 2488 2815 2698 2553 2624 2688 2958 2924 2954 3254 2623 2432 2247 2286 2539 2680 903 1291 1358 7067 7425 6518 6679 6204 7226 7123 6873 7009 6420 6957 6661 6422 6865 6644 6445 6024 6124 6396 6934 6178 6762 6259 6121 6700 6739 6144 6330 6359 6543 7100 6589 6327 6313 6135 5997 6347 6691 6750 6295 6412 6292 6345 6073 6385 6096 6518 5873 5631 6904 5777 6511 6418 7228 6502 5814 5922 6411 5618 5965 5785 5708 5398 5613 5085 6158 5576 5814 5504 5615 5907 5567 5865 5267 5820 5685 5501 5031 5530 5160 5349 5391 5612 4936 4984 4975 5024 4941 5482 5435 4908 5005 5333 5540 5287 5236 5650 5424 5401 5151 5517 5355 6029 5753 5411 5457 5708 5573 5225 5540 5477 5568 5615 5320 5321 5472 5127 5391 4864 N-Formyl-2-aminophenol 836 856 1004 59 722 401 216 66 2200 42 314 369 641 480 1304 1236 371 1030 768 323 2831 1801 1576 389 829 627 1781 100 871 204 48 269 172 253 321 394 395 252 528 1237 80 349 46 445 123 249 300 189 44 157 1356 676 1016 367 2940 1136 565 1290 2633 2864 4316 544 900 167 112 340 3637 4734 3924 3640 7924 5272 4725 3580 5471 4748 4599 5296 694 762 4057 4213 968 3690 2335 796 3002 896 1513 3541 5758 4463 3280 3509 5863 3321 4022 3335 3075 5153 6071 1314 2198 225 3303 1782 994 559 1972 717 2706 3796 2958 820 479 3905 3292 217 1798 4845 906 1684 1939 1826 589 89759 89913 80287 97344 99058 78458 85048 99310 114259 87593 92302 93638 49671 5836 109284 4422 2126 2994 14658 3158 104400 46789 104387 2047 111709 105446 102271 108806 108448 109734 102593 105399 117810 105001 103413 101999 97436 100988 101429 104672 102045 95846 99965 90739 91381 70483 99302 86628 89078 90484 96002 86687 108699 106278 81373 87799 86275 93421 101483 97569 N-methyl pipecolic acid 2260 2331 2460 1901 1548 1689 1675 1507 1714 1885 1518 1504 1411 1617 1669 1666 1554 1415 1485 1546 1736 1530 1720 1600 1576 1442 1603 1548 1539 1374 1452 1446 1820 1625 1539 1467 1768 1414 1529 1538 1798 1516 1406 1698 1783 1500 1658 1309 1571 1672 1560 1931 1805 1820 1789 1628 1823 1652 1812 1470 1486 1645 1611 1426 1692 1635 9230 8748 9129 8540 8624 8385 9168 8752 9469 9412 9006 8567 8872 8882 8493 8627 8303 8716 8623 9210 8393 8965 8524 8751 9131 9314 9295 9232 8952 8811 8846 8894 9481 9017 9050 8770 9520 9196 8613 10045 9082 8794 9044 8498 9162 8246 8813 9336 9133 8671 8917 9139 8401 8165 8922 8704 8088 8982 8832 1554 1411 1328 1241 1298 1281 1313 1299 1209 1559 1265 1262 1346 2142 1359 1424 1362 1313 1448 1379 1385 1427 1436 1427 1398 1306 1302 1460 1402 1391 1489 1290 1486 1356 1602 1311 1265 1540 1404 1667 1398 1257 1441 1261 1398 1504 1527 1418 1362 1467 1547 1254 1426 1322 1482 1331 1483 1449 1423 1545 Indole-4-carboxaldehyde 18025 10991 13567 7132 6617 5316 5480 4767 3463 4531 4506 4082 4222 3521 3351 3529 3649 3467 3588 3876 1585 2080 2626 1629 3383 3104 2496 3471 1622 937 3754 3650 2251 3303 3053 1504 2907 2916 2566 2526 2303 3936 4520 4247 1869 4910 4983 3950 4435 4508 4600 3326 2183 2848 4144 3022 4466 2232 7034 6185 10709 8534 10986 35430 28364 8295 3684 4112 6268 5372 7276 3602 2287 5487 2644 5350 4863 3706 6067 5019 5720 3350 5658 5138 3679 3583 3985 4119 4414 4092 3950 4345 2420 3891 2911 3482 3125 1880 2250 2947 3541 3325 3059 2983 3836 3748 3483 3039 3358 3689 3939 2223 2764 3686 3648 3923 3796 2980 3885 1734 3356 2512 3166 3649 3065 1345 1086 1158 1561 1584 1260 1009 1647 769 951 1595 1191 1188 1088 1427 1319 691 1018 1556 1503 1542 919 1020 1471 1398 1545 1785 1538 1276 1271 1094 682 1351 1103 1276 1562 597 1587 1366 1446 843 910 850 1383 1048 1882 919 1416 1505 702 814 817 755 908 740 1124 1448 1135 1611 743 Tridecylamine 2922 7387 5078 7736 5016 10949 5082 3958 13168 11965 25571 18127 8161 5799 11294 19616 7335 14760 10954 10116 17666 18801 7551 18162 8727 9138 17901 11201 32014 15895 8140 12477 8823 29648 15965 13205 7067 13495 7713 11725 12393 16914 5964 7623 23046 14015 7382 12978 5704 2295 7193 7728 35316 6332 9965 7723 4555 9336 5408 10188 4373 4552 10514 4625 4259 4400 8088 7923 2814 4779 6381 7019 5046 11228 8090 3359 6213 7447 6399 8135 4798 10588 7658 3960 18425 8916 3053 8245 6843 6110 11376 9308 3699 12360 9345 5323 9595 9858 10032 13501 6441 15662 14590 18192 20799 6990 9374 7583 17364 17804 14858 15223 19691 12114 9514 5087 7305 12999 17576 7588 8538 8405 10557 4552 5314 4095 6692 11374 2629 4759 3438 5745 2993 2694 5456 4138 10024 2610 15268 117443 4713 9955 1555 2305 7878 2198 5561 7788 3509 10898 3457 1638 5418 3970 4483 5445 4976 2781 4482 5357 1874 3639 2758 5457 4879 4280 8735 9733 4808 3884 2653 4719 3864 7133 20914 7688 5253 7855 3589 3088 4303 11158 4499 3123 3638 N-Acetylisoputreanine 1148769 1259909 1227656 1562700 1635868 1622817 1767589 1793637 1605953 1719599 1767070 1765837 1747800 1696851 1752092 1661453 1817590 1807542 1846859 1751818 1659143 1837426 1813737 1837532 1684173 1764682 1782294 1747801 1807583 1728081 1714497 1731178 1847038 1818324 1744728 1760613 1743231 1706270 1766268 1653906 1551296 1686269 1534773 1758312 1578897 1588937 1642205 1613051 1567724 1613143 1699310 1961866 1999113 2050038 1850612 1950726 1974635 1870540 1971083 1738461 1706746 1983252 1736784 972667 882761 1003497 5295433 5174361 4808033 4804587 4503010 5067105 5355327 5008726 5239346 5022394 4813920 5059188 4624156 4720612 4566601 4572312 4699771 4516191 4467140 4552037 4548084 4490652 4517438 4520587 4382715 4649176 4151434 4377865 4318763 4342526 4214510 4174660 4369461 4162059 4275820 4276980 4332357 4308187 4322279 4327647 4530637 4444105 4574960 4488150 4406089 4494696 4449774 4517806 4066962 4652912 4432934 4120921 4042006 4623831 4237389 4465976 4495918 4083425 4054002 1412679 1372549 1514597 1233308 1136306 1281340 1212004 1004673 1084259 1267190 1001010 1072651 1157176 1573492 996606 2208776 1743547 2261954 1021788 2427438 1058058 1048637 1012175 1963507 990773 1020199 982475 1079761 1019112 1045892 1074587 1009329 979774 1067729 989474 1022620 1051901 1062845 1190206 1020877 1105803 1175867 1050433 1261102 1112107 1087350 981091 1016260 1452050 3704035 3597846 3987947 1170270 4222263 3926092 1088360 3403709 1582147 977171 1260609 N,N-Dimethylhexadecylamine 2571 2474 4592 2253 1619 1944 1505 2152 12224 3097 4575 1592 2196 1782 6485 8306 1090 7248 4717 1618 6451 3721 23922 8375 4489 2899 32831 3782 21648 4563 2135 1495 3555 8932 7103 7422 4654 7020 7096 5090 2489 2311 1357 1466 9519 2262 3246 1527 1571 1569 2808 4132 20162 2232 3689 2464 2316 7208 1655 4842 1444 3840 1254 1261 2135 2805 3512 7564 2404 3039 721 2889 2027 4952 18376 2688 1451 3344 1972 2455 3563 3008 1805 24504 2418 1784 2187 2184 8276 3210 4863 7659 4052 6121 2294 5955 6966 17102 7324 4523 1895 4749 1592 1963 723 3148 3803 5520 2573 2185 2368 7494 1391 2899 706 1566 1361 1050 748 2627 2444 1980 1899 1039 1819 1872 18779 86600 601 1734 1859 4514 256 1059 3678 318 3452 4767 12362 23263 4085 9012 10575 5882 3218 345 32766 11969 3256 507 4748 4038 1575 1532 1579 3270 494 164 2012 2141 4367 2033 2798 2441 1131 2879 1099 2407 2079 615 401 477 6221 20815 3223 9468 1918 2460 3894 1005 20673 4297 1494 619 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Study_Compound_ID MZ RT HMDB_ID Valine-d8 [iSTD] TF02 126.13638 7.5339999999999998 internal standard Phenylalanine-d8 [iSTD] TF01 174.13634999999999 6.7960000000000003 internal standard Harman QI37545 183.0915 6.04 HMDB0035196 Phenethylamine QI38910 122.0963 6.25 NA Hippuric acid QI22524 180.06540000000001 2.76 HMDB0000714 Tyramine QI39417 138.09119999999999 6.34 HMDB0000306 Hordenine QI40348 166.1225 6.49 HMDB0004366 3-Hydroxyanthranilic acid QI04192 154.0498 1.92 HMDB0001476 3-Methoxyanthranilic acid QI03825 168.06540000000001 1.87 HMDB0060374 3-Methoxytyramine QI39724 168.1018 6.41 HMDB0000022 Maltose TF20 343.12317000000002 6.1369999999999996 HMDB0000163 Sucrose QI39317 343.12329999999997 6.32 HMDB0000258 Lactose QI41527 343.12329999999997 6.7 HMDB0000186 N-Acetylgalactosamine QI34330 222.09700000000001 5.53 HMDB0000853 Glucosamine QI48978 180.0865 7.66 HMDB0001514 Hexose QI31749 203.05240000000001 5.03 HMDB0000122 N,N,N-trimethyl-5-aminovalerate QI55569 160.13310000000001 8.4700000000000006 NA gamma-Aminobutyric acid TF06 104.07034 7.673 HMDB0000112 Aminoisobutyric acid TF04 104.07037 7.73 HMDB0001906 Dethiobiotin QI25745 215.1388 3.79 HMDB0003581 Palmitoleoyl-EA QI18498 298.27390000000003 2.12 HMDB0013648 Stearamide QI17502 284.2946 2.06 HMDB0034146 Putrescine QI62225 89.107200000000006 9.5 HMDB0001414 Cadaverine QI61698 103.1228 9.44 HMDB0002322 Tetradecylamine QI36384 214.2527 5.86 NA 3-Dehydroxycarnitine QI58436 146.11750000000001 8.9 HMDB0001161 CAR 2:0 QI57735 204.12280000000001 8.7899999999999991 HMDB0000201 CAR 3:0 TF25 218.13856999999999 8.4149999999999991 HMDB0000824 CAR 4:0 QI52980 232.1541 8.06 HMDB0002013 CAR 5:0 QI51146 246.16990000000001 7.85 HMDB0000688 CAR 5:0;OH QI58001 262.16480000000001 8.83 HMDB0241655 CAR 7:0 QI41110 274.2013 6.64 HMDB0013238 CAR DC7:1 TF28 302.16030999999998 8.2710000000000008 HMDB0241688 1-Methylguanine QI33415 166.07220000000001 5.37 HMDB0003282 7-Methylguanine QI36299 166.07220000000001 5.85 HMDB0000897 Deoxyinosine QI32178 253.09299999999999 5.13 HMDB0000071 Deoxyadenosine QI32941 252.10890000000001 5.28 HMDB0000101 3',5' cyclic AMP QI42723 330.05959999999999 6.9 HMDB0000058 Adenosine QI32114 268.10390000000001 5.1100000000000003 HMDB0000050 Inosine QI31579 269.08800000000002 5.01 HMDB0000195 Guanosine QI33502 284.09890000000001 5.38 HMDB0000133 Xanthosine QI28434 285.0829 4.47 HMDB0000299 5'-Methylthioadenosine QI27735 298.0967 4.3 HMDB0001173 1-Methylguanosine QI31947 298.11450000000002 5.0599999999999996 HMDB0001563 2-Methylguanosine QI33301 298.1146 5.34 HMDB0005862 N2,N2-Dimethylguanosine QI33784 312.13010000000003 5.43 HMDB0004824 Xanthine QI26255 153.04060000000001 3.91 HMDB0000292 Uric acid QI27779 169.03550000000001 4.32 HMDB0000289 FAPy-adenine QI39787 154.07220000000001 6.42 HMDB0004816 Ectoine QI59626 143.0814 9.07 HMDB0240650 Deoxycytidine TF16 228.09769 6.1159999999999997 HMDB0000014 Cytidine QI37252 244.09270000000001 5.99 HMDB0000089 Pseudouridine QI27796 245.07669999999999 4.32 HMDB0000767 5-Methylcytidine QI36445 258.10829999999999 5.87 HMDB0000982 Cytosine QI39135 112.0504 6.29 HMDB0000630 5-Methylcytosine QI39721 126.06610000000001 6.41 HMDB0002894 5-Hydroxymethyl-4-methyluracil QI30929 157.0607 4.8600000000000003 HMDB0000544 Thiamine QI64483 265.11169999999998 9.86 HMDB0000235 Glycine TF07 76.03922 8.0570000000000004 HMDB0000123 Alanine QI51952 90.0548 7.94 HMDB0000161 beta-Alanine TF19 90.054789999999997 8.1880000000000006 HMDB0000056 Serine QI50604 106.0497 7.8 HMDB0000187 Proline QI54270 116.07040000000001 8.25 HMDB0000162 Guanidoacetic acid QI52138 118.06100000000001 7.97 HMDB0000128 Valine TF15 118.08607000000001 7.5119999999999996 HMDB0000883 Betaine QI60090 118.0861 9.15 HMDB0000043 Threonine QI49840 120.0654 7.72 HMDB0000167 Pipecolic acid QI53274 130.08609999999999 8.1 HMDB0000716 Hydroxyproline QI52674 132.06540000000001 8.0299999999999994 HMDB0000725 Creatine QI55440 132.07669999999999 8.4499999999999993 HMDB0000064 Leucine TF09 132.10178999999999 7.0449999999999999 HMDB0000687 Isoleucine TF08 132.10178999999999 7.1760000000000002 HMDB0000172 Asparagine QI52676 133.0607 8.0299999999999994 HMDB0000168 Ornithine QI61476 133.09700000000001 9.4 HMDB0000214 Aspartic acid QI51957 134.04470000000001 7.95 HMDB0000191 Homocysteine QI36486 136.04259999999999 5.88 HMDB0000742 Proline betaine QI61527 144.1018 9.41 HMDB0004827 4-Acetamidobutanoic acid QI25321 146.08109999999999 3.67 HMDB0003681 Glutamine QI53923 147.0763 8.19 HMDB0000641 Lysine QI62340 147.11269999999999 9.5299999999999994 HMDB0000182 N-Acetylserine QI35069 148.06030000000001 5.66 HMDB0002931 Glutamic acid QI50175 148.06039999999999 7.75 HMDB0000148 O-Ethylhomoserine QI47852 148.0968 7.56 NA Methionine QI43978 150.0582 7.12 HMDB0000696 Histidine QI60831 156.07669999999999 9.2799999999999994 HMDB0000177 N-Acetylvaline TF10 160.09674000000001 3.585 HMDB0011757 N(6)-Methyllysine QI64347 161.1284 9.84 HMDB0002038 5-Hydroxylysine QI61805 163.10759999999999 9.4499999999999993 HMDB0000450 N-Acetylcysteine TF21 164.03747999999999 4.2050000000000001 HMDB0001890 Methionine sulfoxide QI57553 166.0531 8.76 HMDB0002005 Phenylalanine TF11 166.08615 6.7750000000000004 HMDB0000159 3-Methylhistidine QI05146 170.09229999999999 10 HMDB0000479 N-Acetylleucine QI23286 174.1123 2.98 HMDB0011756 N-Acetylornithine QI56001 175.10759999999999 8.5399999999999991 HMDB0003357 Arginine QI60770 175.11869999999999 9.27 HMDB0000517 N(6),N(6)-Dimethyl-lysine QI07943 175.14400000000001 10.44 HMDB0013287 N-Acetylaspartic acid QI28771 176.05520000000001 4.5199999999999996 HMDB0000812 Citrulline QI55651 176.1028 8.48 HMDB0000904 Tyrosine TF14 182.08098000000001 6.8970000000000002 HMDB0000158 N-Acetylglutamine QI44256 189.08680000000001 7.16 HMDB0006029 N6-Acetyllysine QI55776 189.1232 8.5 HMDB0000206 Homoarginine TF22 189.13432 9.327 HMDB0000670 Targinine QI62233 189.1344 9.51 HMDB0029416 N-6-Trimethyllysine QI13043 189.15960000000001 11.47 HMDB0001325 N-Acetylglutamic acid QI29016 190.07079999999999 4.55 HMDB0001138 Homocitrulline QI55574 190.11840000000001 8.4700000000000006 HMDB0000679 N-Acetylmethionine QI24984 192.06870000000001 3.56 HMDB0011745 N-Acetylhistidine QI56252 198.08709999999999 8.58 HMDB0032055 Symmetric dimethylarginine TF12 203.15002000000001 9.798 HMDB0003334 Dimethylarginine TF05 203.15001000000001 9.9120000000000008 HMDB0001539 Tryptophan TF13 205.09708000000001 6.5609999999999999 HMDB0000929 N-Acetylphenylalanine QI24288 208.0967 3.34 HMDB0000512 N-Acetylarginine QI54378 217.1293 8.27 HMDB0004620 Pantothenic acid QI24289 220.11779999999999 3.34 HMDB0000210 5-Hydroxy-tryptophan QI42055 221.09190000000001 6.77 HMDB0000472 Cystine QI60240 241.03100000000001 9.19 HMDB0000192 N-Acetyl-D-tryptophan QI23262 247.1078 2.97 HMDB0013713 alpha-N-Phenylacetylglutamine QI29795 265.11829999999998 4.68 HMDB0006344 Argininosuccinic acid QI56938 291.12979999999999 8.67 HMDB0000052 C-Glycosyltryptophan QI42209 367.14980000000003 6.81 HMDB0240296 Ala-Ala QI52482 161.09200000000001 8.01 HMDB0003459 Gly-Ser QI54377 163.0712 8.27 HMDB0028850 Pro-Gly TF18 173.09195 8.0749999999999993 HMDB0011178 Gly-Pro QI58247 173.09190000000001 8.8699999999999992 HMDB0000721 Gly-Val QI49495 175.10759999999999 7.69 HMDB0028854 Val-Gly QI51137 175.10759999999999 7.85 HMDB0029127 Thr-Gly QI53570 177.08680000000001 8.14 HMDB0029061 Pro-Ala QI54621 187.10749999999999 8.31 HMDB0029010 Val-Ala QI48301 189.1232 7.6 HMDB0029120 Gly-Asp QI54769 191.066 8.33 HMDB0028837 Thr-Ala QI51663 191.10239999999999 7.92 HMDB0029054 Ala-Thr QI53047 191.10249999999999 8.07 HMDB0028697 Ser-Ser QI53574 193.08170000000001 8.14 HMDB0029048 Ser-Pro QI56253 203.10239999999999 8.58 HMDB0029047 Ile-Ala QI46876 203.1388 7.47 HMDB0028900 Asn-Ala QI54513 204.0977 8.2899999999999991 HMDB0028724 Gln-Gly QI55500 204.0977 8.4600000000000009 HMDB0028797 Gly-Gln QI56933 204.0977 8.67 HMDB0028839 Lys-Gly QI64626 204.13409999999999 9.8800000000000008 HMDB0028951 Glu-Gly QI51965 205.08170000000001 7.95 HMDB0028819 Ser-Val QI48099 205.1181 7.58 HMDB0029052 Val-Ser QI50942 205.1181 7.83 HMDB0029136 Thr-Ser QI52776 207.09729999999999 8.0399999999999991 HMDB0029070 Pro-Pro QI58988 213.1232 8.99 HMDB0011180 Val-Pro QI51431 215.1388 7.89 HMDB0029135 Pro-Thr QI55297 217.1181 8.41 HMDB0029027 Gln-Ala QI55814 218.11330000000001 8.51 HMDB0028790 Ala-Lys QI63989 218.1498 9.7899999999999991 HMDB0028692 Glu-Ala QI51143 219.09739999999999 7.85 HMDB0003764 Ser-Ile QI45631 219.1337 7.34 HMDB0029042 Ile-Ser QI48182 219.13380000000001 7.59 HMDB0028916 Ser-Asn QI55149 220.0926 8.3800000000000008 HMDB0029034 Ala-Met QI47683 221.09530000000001 7.54 HMDB0028693 Thr-Thr QI51969 221.113 7.95 HMDB0029071 Phe-Gly QI45750 223.10759999999999 7.35 HMDB0028995 Ala-His QI65017 227.11369999999999 9.94 HMDB0028689 Ile-Pro QI48486 229.15450000000001 7.62 HMDB0011174 Asp-Pro QI57054 231.09739999999999 8.69 HMDB0028761 Ile-Val QI42886 231.17009999999999 6.94 HMDB0028920 Asn-Val QI50757 232.12909999999999 7.81 HMDB0028744 Val-Asn QI53148 232.12899999999999 8.08 HMDB0029122 Gly-Arg QI63489 232.1403 9.7200000000000006 HMDB0028835 Val-Asp QI47863 233.113 7.56 HMDB0029123 Asp-Val QI51498 233.1131 7.9 HMDB0028766 Thr-Ile QI44863 233.14940000000001 7.26 HMDB0029064 Ile-Thr QI47513 233.14940000000001 7.52 HMDB0028917 Asn-Thr QI54627 234.10830000000001 8.31 HMDB0028741 Ser-Gln QI55503 234.10830000000001 8.4600000000000009 HMDB0029037 Ser-Lys QI63259 234.1447 9.68 HMDB0029044 Asp-Thr TF27 235.09233 8.18 HMDB0028763 Ser-Met QI47515 237.09020000000001 7.52 HMDB0029045 Ala-Phe QI44906 237.1232 7.27 HMDB0029010 His-Ser QI61340 243.1087 9.3800000000000008 HMDB0028894 Pro-Lys QI06985 244.16540000000001 10.28 HMDB0029022 Glu-Pro QI53584 245.113 8.14 HMDB0028827 Ile-Ile QI40590 245.1858 6.52 HMDB0028910 Asn-Ile QI47767 246.1447 7.55 HMDB0028734 Ile-Asn QI51290 246.1447 7.87 HMDB0028902 Val-Gln QI53457 246.1447 8.1199999999999992 HMDB0029125 Arg-Ala QI63037 246.15600000000001 9.64 HMDB0028702 Lys-Val QI61536 246.18109999999999 9.41 HMDB0028964 Val-Lys QI62497 246.18109999999999 9.56 HMDB0029132 Val-Glu QI48105 247.12870000000001 7.58 HMDB0029126 Thr-Gln QI55078 248.12389999999999 8.3699999999999992 HMDB0029059 Thr-Lys QI63094 248.16030000000001 9.65 HMDB0029066 Thr-Glu QI50308 249.1079 7.77 HMDB0029060 Glu-Thr QI51841 249.1079 7.94 HMDB0028829 Met-Val QI43401 249.1266 7.01 HMDB0028986 Val-Met QI44728 249.1266 7.24 HMDB0029133 Thr-Met QI46720 251.10589999999999 7.46 HMDB0029067 Met-Thr QI47870 251.10579999999999 7.56 HMDB0028983 Ser-Phe QI44452 253.1181 7.19 HMDB0029046 Phe-Ser QI45504 253.1182 7.33 HMDB0029004 His-Pro QI05215 253.1294 10.01 HMDB0028893 Pro-His QI06723 253.1294 10.24 HMDB0029019 His-Val QI59834 255.14510000000001 9.09 HMDB0028898 Val-His QI62292 255.14510000000001 9.52 HMDB0029129 His-Thr QI61341 257.12430000000001 9.3800000000000008 HMDB0028895 Thr-His QI62499 257.12430000000001 9.56 HMDB0029063 Ile-Gln QI51505 260.16039999999998 7.9 HMDB0028905 Lys-Ile QI59768 260.19670000000002 9.08 HMDB0028954 Ile-Lys QI61049 260.1968 9.33 HMDB0028912 Ile-Glu QI46994 261.14440000000002 7.48 HMDB0028906 Asn-Lys QI64951 261.15570000000002 9.93 HMDB0028736 Asn-Glu QI52787 262.10329999999999 8.0399999999999991 HMDB0028730 Glu-Asn QI54434 262.10329999999999 8.2799999999999994 HMDB0028814 Asp-Gln QI56331 262.10329999999999 8.59 HMDB0028751 Trp-Gly QI44370 262.11849999999998 7.18 HMDB0029083 Ser-Arg QI62294 262.15089999999998 9.52 HMDB0029033 Pro-Phe QI47520 263.13889999999998 7.52 HMDB0011179 Met-Ile QI40968 263.14229999999998 6.61 HMDB0028976 Ile-Met QI42801 263.14229999999998 6.92 HMDB0028913 Val-Phe QI42318 265.15460000000002 6.83 HMDB0029134 Thr-Phe QI43860 267.13389999999998 7.1 HMDB0029068 Phe-Thr QI45303 267.13389999999998 7.32 HMDB0029005 Ser-Tyr QI45057 269.11309999999997 7.29 HMDB0029051 His-Leu QI58002 269.16079999999999 8.83 HMDB0028889 Leu-His QI60598 269.16079999999999 9.24 HMDB0028931 Arg-Pro QI05947 272.17169999999999 10.119999999999999 HMDB0028717 Arg-Val QI60685 274.18729999999999 9.25 HMDB0028722 Val-Arg QI61430 274.18729999999999 9.39 HMDB0029121 Gln-Gln QI57266 275.13499999999999 8.7200000000000006 HMDB0028795 Lys-Gln QI64628 275.17140000000001 9.8800000000000008 HMDB0028949 Glu-Gln QI54633 276.1189 8.31 HMDB0028817 Ala-Trp QI43598 276.13409999999999 7.05 HMDB0013209 Lys-Glu QI61809 276.15530000000001 9.4499999999999993 HMDB0028950 Thr-Arg QI62023 276.16649999999998 9.48 HMDB0029055 Met-Gln QI52076 278.11680000000001 7.96 HMDB0028971 Lys-Met QI60599 278.15309999999999 9.24 HMDB0028957 Tyr-Pro QI45508 279.13380000000001 7.33 HMDB0029113 Pro-Tyr QI48017 279.13380000000001 7.57 HMDB0029029 Phe-Leu QI39171 279.17009999999999 6.29 NA Ile-Phe QI40698 279.17020000000002 6.54 HMDB0028914 Tyr-Val QI41292 281.14949999999999 6.67 HMDB0029118 Val-Tyr QI42982 281.14940000000001 6.95 HMDB0029139 Thr-Tyr QI44552 283.12869999999998 7.21 HMDB0029073 Arg-Leu QI58627 288.2029 8.93 HMDB0028713 Asn-Arg QI63707 289.16180000000003 9.75 HMDB0028725 Ser-Trp QI43342 292.12900000000002 7 HMDB0029050 Trp-Ser QI44195 292.12900000000002 7.15 HMDB0029092 Gln-Phe QI47423 294.14479999999998 7.51 HMDB0028804 Phe-Gln QI49514 294.1447 7.69 HMDB0028993 Lys-Phe QI58578 294.18110000000001 8.92 HMDB0028958 Tyr-Leu QI39596 295.16500000000002 6.38 HMDB0029109 Leu-Tyr QI41295 295.1651 6.67 HMDB0028941 Tyr-Asn QI48492 296.12389999999999 7.62 HMDB0029100 Met-Phe QI41001 297.1266 6.62 HMDB0028980 His-Phe QI55816 303.14499999999998 8.51 HMDB0028892 Phe-His QI59298 303.14519999999999 9.0299999999999994 HMDB0028997 Trp-Val QI39807 304.16539999999998 6.42 HMDB0029096 Val-Trp QI40700 304.16539999999998 6.54 HMDB0029138 Thr-Trp QI42640 306.14460000000003 6.88 HMDB0029072 Trp-Thr QI43695 306.1447 7.07 HMDB0029093 Arg-Met QI59775 306.15929999999997 9.08 HMDB0028715 Tyr-Gln QI49007 310.13959999999997 7.66 HMDB0029103 Tyr-Lys QI58629 310.17599999999999 8.93 HMDB0029110 Tyr-Met QI41049 313.12150000000003 6.63 HMDB0029111 Phe-Phe QI38927 313.15449999999998 6.25 HMDB0013302 Trp-Ile QI38485 318.18099999999998 6.19 HMDB0029086 Ile-Trp QI39360 318.18099999999998 6.33 HMDB0028918 His-Tyr QI56070 319.14 8.5500000000000007 HMDB0028897 Arg-Phe QI57568 322.18720000000002 8.76 HMDB0028716 Phe-Arg QI58583 322.18720000000002 8.92 HMDB0028989 Phe-Tyr QI39362 329.14940000000001 6.33 HMDB0029007 Trp-Gln QI44673 333.15559999999999 7.23 HMDB0029081 Trp-Met QI39884 336.13749999999999 6.43 HMDB0029089 Tyr-Tyr QI39809 345.14429999999999 6.42 HMDB0029117 Phe-Trp QI37818 352.16539999999998 6.09 HMDB0029006 Trp-Phe QI38404 352.16539999999998 6.18 HMDB0029090 Arg-Trp QI56012 361.19810000000001 8.5399999999999991 HMDB0028720 Tyr-Trp QI38407 368.16030000000001 6.18 HMDB0029116 Trp-Tyr QI39003 368.16030000000001 6.26 HMDB0029095 Trp-Trp QI37613 391.17579999999998 6.05 HMDB0029094 Carnosine QI62018 227.11369999999999 9.48 HMDB0000033 Anserine QI09606 241.1294 10.71 HMDB0000194 Glutathione QI52080 308.09089999999998 7.96 HMDB0000125 DOPA QI41221 198.07589999999999 6.66 HMDB0000181 N-Acetylputrescine QI52590 131.11779999999999 8.02 HMDB0002064 N-Acetylcadaverine QI51207 145.1335 7.86 HMDB0002284 N1-Acetylspermidine QI65122 188.1756 9.9600000000000009 HMDB0001276 N1,N8-Diacetylspermidine QI57144 230.18620000000001 8.6999999999999993 HMDB0041947 N1,N12-Diacetylspermine QI08386 287.2441 10.51 HMDB0002172 sn-Glycero-3-phosphocholine QI09607 258.10989999999998 10.71 HMDB0000086 Taurine QI38621 126.0218 6.21 HMDB0000251 Diethanolamine TF17 106.08609 7.6429999999999998 HMDB0004437 Histamine QI60950 112.08669999999999 9.31 HMDB0000870 3-Methylhistamine QI63786 126.10250000000001 9.76 HMDB0001861 L-Histidinol QI60678 142.09739999999999 9.25 HMDB0003431 N-Acetylhistamine QI50935 154.09739999999999 7.83 HMDB0013253 Triethanolamine QI50934 150.11240000000001 7.83 HMDB0032538 Tributylamine QI35798 186.22139999999999 5.78 NA Carnitine QI58692 162.11240000000001 8.94 HMDB0000062 Choline QI55292 104.10680000000001 8.41 HMDB0000097 Acetylcholine QI51136 146.11750000000001 7.85 HMDB0000895 Choline phosphate QI14971 184.07320000000001 12.14 HMDB0001565 Cyclohexylamine QI40101 100.11190000000001 6.46 HMDB0031404 N,N-Dicyclohexylamine QI37033 182.1902 5.96 NA Methylguanidine QI42622 74.071200000000005 6.87 HMDB0001522 Agmatine QI60677 131.12899999999999 9.25 HMDB0001432 Creatinine QI40916 114.066 6.6 HMDB0000562 Biliverdin QI18409 583.255 2.11 HMDB0001008 Quetiapine QI46751 384.17399999999998 7.46 HMDB0005021 Biotin QI26391 245.09530000000001 3.95 HMDB0000030 Arecaidine QI42963 142.08619999999999 6.95 HMDB0030352 Imidazoleacetic acid QI53778 127.0501 8.17 HMDB0002024 Urocanic acid QI29774 139.05009999999999 4.68 HMDB0000301 Imidazolepropionic acid QI47849 141.0658 7.56 HMDB0002271 Methylimidazoleacetic acid QI59047 141.0658 9 HMDB0002820 Indoleacetic acid QI04294 176.07050000000001 1.93 HMDB0000197 Indole QI03642 118.06489999999999 1.84 HMDB0000738 5-Hydroxytryptophol QI18442 178.08609999999999 2.12 HMDB0001855 Tryptamine QI38182 161.10720000000001 6.15 HMDB0000303 1H-Indole-3-acetamide QI17665 175.0864 2.08 HMDB0029739 Acisoga QI35329 185.1283 5.71 HMDB0061384 Protoporphyrin QI04052 563.26530000000002 1.9 HMDB0000241 Pterin QI30736 164.0566 4.84 HMDB0000802 N1-Methyl-2-pyridone-5-carboxamide QI28269 153.0658 4.4400000000000004 HMDB0004193 Niacinamide QI26313 123.0552 3.93 HMDB0001406 Nicotinic acid QI26007 124.03919999999999 3.85 HMDB0001488 Trigonelline QI59467 138.0549 9.0500000000000007 HMDB0000875 Pyroglutamic acid TF24 130.04979 6.9450000000000003 HMDB0000267 Kynurenic acid QI32874 190.0497 5.27 HMDB0000715 5-(2-Hydroxyethyl)-4-methylthiazole QI23309 144.04769999999999 2.99 HMDB0032985 Serotonin QI40524 177.10210000000001 6.51 HMDB0000259 Allantoin TF03 159.05122 3.7290000000000001 HMDB0000462 trans-m-Coumaric acid QI22158 165.05449999999999 2.66 HMDB0001713 Phytosphingosine QI37517 318.30009999999999 6.03 HMDB0004610 Sphinganine QI36398 302.30520000000001 5.86 HMDB0000269 C20 Sphinganine QI35932 330.3365 5.79 NA Glycodeoxycholic acid/Glycochenodeoxycholic acid QI27554 450.32119999999998 4.25 HMDB0000631 Glycocholic acid QI33073 466.31619999999998 5.3 HMDB0000138 3-Hydroxynorvaline QI52591 134.08099999999999 8.02 NA N-Formyl-2-aminophenol QI04068 138.0549 1.91 NA N-methyl pipecolic acid QI56511 144.1018 8.61 HMDB0341360 Indole-4-carboxaldehyde QI04826 146.06 1.97 NA Tridecylamine QI35905 200.2371 5.79 NA N-Acetylisoputreanine TF23 203.13883999999999 8.14 HMDB0094713 N,N-Dimethylhexadecylamine QI34812 270.31540000000001 5.61 NA METABOLITES_END #END