#METABOLOMICS WORKBENCH jravilap_20250508_101335 DATATRACK_ID:5897 STUDY_ID:ST003911 ANALYSIS_ID:AN006421 PROJECT_ID:PR002363 VERSION 1 CREATED_ON May 9, 2025, 10:14 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 4 ST:STUDY_TYPE Study 4: Profiling of bacterial cultures for: Eggerthella lenta, Fusobacterium ST:STUDY_TYPE nucleatum 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 Eggerthella lenta, Fusobacterium nucleatum SU:TAXONOMY_ID 84112, 851 SU:GENOTYPE_STRAIN Eggerthella lenta, Fusobacterium nucleatum #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 - FB_CHG_0hr_2 Sample source:Culture | Species:Fusobacterium nucleatum | Media:CHG | Timepoint:- | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0066c_XAV_BactReRun_CN-FB_CHG_0hr_2; RAW_FILE_NAME(C8-POS)=B0066c_XAV_BactReRun_CP-FB_CHG_0hr_2; RAW_FILE_NAME(HILIC-POS)=B0066c_XAV_BactReRun_HP-FB_CHG_0hr_2 SUBJECT_SAMPLE_FACTORS - FB_CHG_0hr_3 Sample source:Culture | Species:Fusobacterium nucleatum | Media:CHG | Timepoint:- | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0066d_XAV_BactReRun_CN-FB_CHG_0hr_3; RAW_FILE_NAME(C8-POS)=B0066d_XAV_BactReRun_CP-FB_CHG_0hr_3; RAW_FILE_NAME(HILIC-POS)=B0066d_XAV_BactReRun_HP-FB_CHG_0hr_3 SUBJECT_SAMPLE_FACTORS - FB_CHG_24hr_1 Sample source:Culture | Species:Fusobacterium nucleatum | Media:CHG | Timepoint:24 | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0066e_XAV_BactReRun_CN-FB_CHG_24hr_1; RAW_FILE_NAME(C8-POS)=B0066e_XAV_BactReRun_CP-FB_CHG_24hr_1; RAW_FILE_NAME(HILIC-POS)=B0066e_XAV_BactReRun_HP-FB_CHG_24hr_1 SUBJECT_SAMPLE_FACTORS - FB_CHG_6hr_1 Sample source:Culture | Species:Fusobacterium nucleatum | Media:CHG | Timepoint:6 | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0066f_XAV_BactReRun_CN-FB_CHG_6hr_1; RAW_FILE_NAME(C8-POS)=B0066f_XAV_BactReRun_CP-FB_CHG_6hr_1; RAW_FILE_NAME(HILIC-POS)=B0066f_XAV_BactReRun_HP-FB_CHG_6hr_1 SUBJECT_SAMPLE_FACTORS - FB_CHG_24hr_2 Sample source:Culture | Species:Fusobacterium nucleatum | Media:CHG | Timepoint:24 | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0066g_XAV_BactReRun_CN-FB_CHG_24hr_2; RAW_FILE_NAME(C8-POS)=B0066g_XAV_BactReRun_CP-FB_CHG_24hr_2; RAW_FILE_NAME(HILIC-POS)=B0066g_XAV_BactReRun_HP-FB_CHG_24hr_2 SUBJECT_SAMPLE_FACTORS - FB_CHG_6hr_3 Sample source:Culture | Species:Fusobacterium nucleatum | Media:CHG | Timepoint:6 | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0066h_XAV_BactReRun_CN-FB_CHG_6hr_3; RAW_FILE_NAME(C8-POS)=B0066h_XAV_BactReRun_CP-FB_CHG_6hr_3; RAW_FILE_NAME(HILIC-POS)=B0066h_XAV_BactReRun_HP-FB_CHG_6hr_3 SUBJECT_SAMPLE_FACTORS - FB_CHG_48hr_2 Sample source:Culture | Species:Fusobacterium nucleatum | Media:CHG | Timepoint:48 | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0066i_XAV_BactReRun_CN-FB_CHG_48hr_2; RAW_FILE_NAME(C8-POS)=B0066i_XAV_BactReRun_CP-FB_CHG_48hr_2; RAW_FILE_NAME(HILIC-POS)=B0066i_XAV_BactReRun_HP-FB_CHG_48hr_2 SUBJECT_SAMPLE_FACTORS - FB_CHG_6hr_2 Sample source:Culture | Species:Fusobacterium nucleatum | Media:CHG | Timepoint:6 | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0066j_XAV_BactReRun_CN-FB_CHG_6hr_2; RAW_FILE_NAME(C8-POS)=B0066j_XAV_BactReRun_CP-FB_CHG_6hr_2; RAW_FILE_NAME(HILIC-POS)=B0066j_XAV_BactReRun_HP-FB_CHG_6hr_2 SUBJECT_SAMPLE_FACTORS - FB_CHG_48hr_3 Sample source:Culture | Species:Fusobacterium nucleatum | Media:CHG | Timepoint:48 | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0066k_XAV_BactReRun_CN-FB_CHG_48hr_3; RAW_FILE_NAME(C8-POS)=B0066k_XAV_BactReRun_CP-FB_CHG_48hr_3; RAW_FILE_NAME(HILIC-POS)=B0066k_XAV_BactReRun_HP-FB_CHG_48hr_3 SUBJECT_SAMPLE_FACTORS - FB_CHG_24hr_3 Sample source:Culture | Species:Fusobacterium nucleatum | Media:CHG | Timepoint:24 | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0066l_XAV_BactReRun_CN-FB_CHG_24hr_3; RAW_FILE_NAME(C8-POS)=B0066l_XAV_BactReRun_CP-FB_CHG_24hr_3; RAW_FILE_NAME(HILIC-POS)=B0066l_XAV_BactReRun_HP-FB_CHG_24hr_3 SUBJECT_SAMPLE_FACTORS - FB_CHG_48hr_1 Sample source:Culture | Species:Fusobacterium nucleatum | Media:CHG | Timepoint:48 | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0066m_XAV_BactReRun_CN-FB_CHG_48hr_1; RAW_FILE_NAME(C8-POS)=B0066m_XAV_BactReRun_CP-FB_CHG_48hr_1; RAW_FILE_NAME(HILIC-POS)=B0066m_XAV_BactReRun_HP-FB_CHG_48hr_1 SUBJECT_SAMPLE_FACTORS - FB_CHG_0hr_1 Sample source:Culture | Species:Fusobacterium nucleatum | Media:CHG | Timepoint:- | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0066n_XAV_BactReRun_CN-FB_CHG_0hr_1; RAW_FILE_NAME(C8-POS)=B0066n_XAV_BactReRun_CP-FB_CHG_0hr_1; RAW_FILE_NAME(HILIC-POS)=B0066n_XAV_BactReRun_HP-FB_CHG_0hr_1 SUBJECT_SAMPLE_FACTORS - Follow_up_CHG_24hr_1 Sample source:Culture | Species:Unspent media | Media:CHG | Timepoint:24 | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0066o_XAV_BactReRun_CN-Follow_up_CHG_24hr_1; RAW_FILE_NAME(C8-POS)=B0066o_XAV_BactReRun_CP-Follow_up_CHG_24hr_1; RAW_FILE_NAME(HILIC-POS)=B0066o_XAV_BactReRun_HP-Follow_up_CHG_24hr_1 SUBJECT_SAMPLE_FACTORS - Follow_up_CHG_48hr_3 Sample source:Culture | Species:Unspent media | Media:CHG | Timepoint:48 | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0066p_XAV_BactReRun_CN-Follow_up_CHG_48hr_3; RAW_FILE_NAME(C8-POS)=B0066p_XAV_BactReRun_CP-Follow_up_CHG_48hr_3; RAW_FILE_NAME(HILIC-POS)=B0066p_XAV_BactReRun_HP-Follow_up_CHG_48hr_3 SUBJECT_SAMPLE_FACTORS - Follow_up_CHG_24hr_3 Sample source:Culture | Species:Unspent media | Media:CHG | Timepoint:24 | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0066q_XAV_BactReRun_CN-Follow_up_CHG_24hr_3; RAW_FILE_NAME(C8-POS)=B0066q_XAV_BactReRun_CP-Follow_up_CHG_24hr_3; RAW_FILE_NAME(HILIC-POS)=B0066q_XAV_BactReRun_HP-Follow_up_CHG_24hr_3 SUBJECT_SAMPLE_FACTORS - Follow_up_CHG_48hr_2 Sample source:Culture | Species:Unspent media | Media:CHG | Timepoint:48 | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0066r_XAV_BactReRun_CN-Follow_up_CHG_48hr_2; RAW_FILE_NAME(C8-POS)=B0066r_XAV_BactReRun_CP-Follow_up_CHG_48hr_2; RAW_FILE_NAME(HILIC-POS)=B0066r_XAV_BactReRun_HP-Follow_up_CHG_48hr_2 SUBJECT_SAMPLE_FACTORS - Follow_up_CHG_0hr_3 Sample source:Culture | Species:Unspent media | Media:CHG | Timepoint:- | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0066s_XAV_BactReRun_CN-Follow_up_CHG_0hr_3; RAW_FILE_NAME(C8-POS)=B0066s_XAV_BactReRun_CP-Follow_up_CHG_0hr_3; RAW_FILE_NAME(HILIC-POS)=B0066s_XAV_BactReRun_HP-Follow_up_CHG_0hr_3 SUBJECT_SAMPLE_FACTORS - Follow_up_CHG_6hr_3 Sample source:Culture | Species:Unspent media | Media:CHG | Timepoint:6 | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0066t_XAV_BactReRun_CN-Follow_up_CHG_6hr_3; RAW_FILE_NAME(C8-POS)=B0066t_XAV_BactReRun_CP-Follow_up_CHG_6hr_3; RAW_FILE_NAME(HILIC-POS)=B0066t_XAV_BactReRun_HP-Follow_up_CHG_6hr_3 SUBJECT_SAMPLE_FACTORS - Follow_up_CHG_6hr_1 Sample source:Culture | Species:Unspent media | Media:CHG | Timepoint:6 | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0066u_XAV_BactReRun_CN-Follow_up_CHG_6hr_1; RAW_FILE_NAME(C8-POS)=B0066u_XAV_BactReRun_CP-Follow_up_CHG_6hr_1; RAW_FILE_NAME(HILIC-POS)=B0066u_XAV_BactReRun_HP-Follow_up_CHG_6hr_1 SUBJECT_SAMPLE_FACTORS - Follow_up_CHG_24hr_2 Sample source:Culture | Species:Unspent media | Media:CHG | Timepoint:24 | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0066v_XAV_BactReRun_CN-Follow_up_CHG_24hr_2; RAW_FILE_NAME(C8-POS)=B0066v_XAV_BactReRun_CP-Follow_up_CHG_24hr_2; RAW_FILE_NAME(HILIC-POS)=B0066v_XAV_BactReRun_HP-Follow_up_CHG_24hr_2 SUBJECT_SAMPLE_FACTORS - Follow_up_CHG_48hr_1 Sample source:Culture | Species:Unspent media | Media:CHG | Timepoint:48 | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0066w_XAV_BactReRun_CN-Follow_up_CHG_48hr_1; RAW_FILE_NAME(C8-POS)=B0066w_XAV_BactReRun_CP-Follow_up_CHG_48hr_1; RAW_FILE_NAME(HILIC-POS)=B0066w_XAV_BactReRun_HP-Follow_up_CHG_48hr_1 SUBJECT_SAMPLE_FACTORS - Follow_up_CHG_0hr_2 Sample source:Culture | Species:Unspent media | Media:CHG | Timepoint:- | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0066x_XAV_BactReRun_CN-Follow_up_CHG_0hr_2; RAW_FILE_NAME(C8-POS)=B0066x_XAV_BactReRun_CP-Follow_up_CHG_0hr_2; RAW_FILE_NAME(HILIC-POS)=B0066x_XAV_BactReRun_HP-Follow_up_CHG_0hr_2 SUBJECT_SAMPLE_FACTORS - Follow_up_CHG_0hr_1 Sample source:Culture | Species:Unspent media | Media:CHG | Timepoint:- | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0066y_XAV_BactReRun_CN-Follow_up_CHG_0hr_1; RAW_FILE_NAME(C8-POS)=B0066y_XAV_BactReRun_CP-Follow_up_CHG_0hr_1; RAW_FILE_NAME(HILIC-POS)=B0066y_XAV_BactReRun_HP-Follow_up_CHG_0hr_1 SUBJECT_SAMPLE_FACTORS - Follow_up_CHG_6hr_2 Sample source:Culture | Species:Unspent media | Media:CHG | Timepoint:6 | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0066z_XAV_BactReRun_CN-Follow_up_CHG_6hr_2; RAW_FILE_NAME(C8-POS)=B0066z_XAV_BactReRun_CP-Follow_up_CHG_6hr_2; RAW_FILE_NAME(HILIC-POS)=B0066z_XAV_BactReRun_HP-Follow_up_CHG_6hr_2 SUBJECT_SAMPLE_FACTORS - EL_CHG-R_6hr_3 Sample source:Culture | Species:Eggerthella lenta | Media:CHG-R | Timepoint:6 | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0066za_XAV_BactReRun_CN-EL_CHG-R_6hr_3; RAW_FILE_NAME(C8-POS)=B0066za_XAV_BactReRun_CP-EL_CHG-R_6hr_3; RAW_FILE_NAME(HILIC-POS)=B0066za_XAV_BactReRun_HP-EL_CHG-R_6hr_3 SUBJECT_SAMPLE_FACTORS - EL_CHG-R_24hr_1 Sample source:Culture | Species:Eggerthella lenta | Media:CHG-R | Timepoint:24 | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0066zb_XAV_BactReRun_CN-EL_CHG-R_24hr_1; RAW_FILE_NAME(C8-POS)=B0066zb_XAV_BactReRun_CP-EL_CHG-R_24hr_1; RAW_FILE_NAME(HILIC-POS)=B0066zb_XAV_BactReRun_HP-EL_CHG-R_24hr_1 SUBJECT_SAMPLE_FACTORS - EL_CHG-R_24hr_3 Sample source:Culture | Species:Eggerthella lenta | Media:CHG-R | Timepoint:24 | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0066zc_XAV_BactReRun_CN-EL_CHG-R_24hr_3; RAW_FILE_NAME(C8-POS)=B0066zc_XAV_BactReRun_CP-EL_CHG-R_24hr_3; RAW_FILE_NAME(HILIC-POS)=B0066zc_XAV_BactReRun_HP-EL_CHG-R_24hr_3 SUBJECT_SAMPLE_FACTORS - EL_CHG-R_0hr_1 Sample source:Culture | Species:Eggerthella lenta | Media:CHG-R | Timepoint:- | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0066zd_XAV_BactReRun_CN-EL_CHG-R_0hr_1; RAW_FILE_NAME(C8-POS)=B0066zd_XAV_BactReRun_CP-EL_CHG-R_0hr_1; RAW_FILE_NAME(HILIC-POS)=B0066zd_XAV_BactReRun_HP-EL_CHG-R_0hr_1 SUBJECT_SAMPLE_FACTORS - EL_CHG-R_6hr_2 Sample source:Culture | Species:Eggerthella lenta | Media:CHG-R | Timepoint:6 | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0066ze_XAV_BactReRun_CN-EL_CHG-R_6hr_2; RAW_FILE_NAME(C8-POS)=B0066ze_XAV_BactReRun_CP-EL_CHG-R_6hr_2; RAW_FILE_NAME(HILIC-POS)=B0066ze_XAV_BactReRun_HP-EL_CHG-R_6hr_2 SUBJECT_SAMPLE_FACTORS - EL_CHG-R_48hr_1 Sample source:Culture | Species:Eggerthella lenta | Media:CHG-R | Timepoint:48 | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0066zf_XAV_BactReRun_CN-EL_CHG-R_48hr_1; RAW_FILE_NAME(C8-POS)=B0066zf_XAV_BactReRun_CP-EL_CHG-R_48hr_1; RAW_FILE_NAME(HILIC-POS)=B0066zf_XAV_BactReRun_HP-EL_CHG-R_48hr_1 SUBJECT_SAMPLE_FACTORS - EL_CHG-R_6hr_1 Sample source:Culture | Species:Eggerthella lenta | Media:CHG-R | Timepoint:6 | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0066zg_XAV_BactReRun_CN-EL_CHG-R_6hr_1; RAW_FILE_NAME(C8-POS)=B0066zg_XAV_BactReRun_CP-EL_CHG-R_6hr_1; RAW_FILE_NAME(HILIC-POS)=B0066zg_XAV_BactReRun_HP-EL_CHG-R_6hr_1 SUBJECT_SAMPLE_FACTORS - EL_CHG-R_48hr_3 Sample source:Culture | Species:Eggerthella lenta | Media:CHG-R | Timepoint:48 | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0066zh_XAV_BactReRun_CN-EL_CHG-R_48hr_3; RAW_FILE_NAME(C8-POS)=B0066zh_XAV_BactReRun_CP-EL_CHG-R_48hr_3; RAW_FILE_NAME(HILIC-POS)=B0066zh_XAV_BactReRun_HP-EL_CHG-R_48hr_3 SUBJECT_SAMPLE_FACTORS - EL_CHG-R_0hr_2 Sample source:Culture | Species:Eggerthella lenta | Media:CHG-R | Timepoint:- | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0066zi_XAV_BactReRun_CN-EL_CHG-R_0hr_2; RAW_FILE_NAME(C8-POS)=B0066zi_XAV_BactReRun_CP-EL_CHG-R_0hr_2; RAW_FILE_NAME(HILIC-POS)=B0066zi_XAV_BactReRun_HP-EL_CHG-R_0hr_2 SUBJECT_SAMPLE_FACTORS - EL_CHG-R_48hr_2 Sample source:Culture | Species:Eggerthella lenta | Media:CHG-R | Timepoint:48 | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0066zj_XAV_BactReRun_CN-EL_CHG-R_48hr_2; RAW_FILE_NAME(C8-POS)=B0066zj_XAV_BactReRun_CP-EL_CHG-R_48hr_2; RAW_FILE_NAME(HILIC-POS)=B0066zj_XAV_BactReRun_HP-EL_CHG-R_48hr_2 SUBJECT_SAMPLE_FACTORS - EL_CHG-R_24hr_2 Sample source:Culture | Species:Eggerthella lenta | Media:CHG-R | Timepoint:24 | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0066zk_XAV_BactReRun_CN-EL_CHG-R_24hr_2; RAW_FILE_NAME(C8-POS)=B0066zk_XAV_BactReRun_CP-EL_CHG-R_24hr_2; RAW_FILE_NAME(HILIC-POS)=B0066zk_XAV_BactReRun_HP-EL_CHG-R_24hr_2 SUBJECT_SAMPLE_FACTORS - EL_CHG-R_0hr_3 Sample source:Culture | Species:Eggerthella lenta | Media:CHG-R | Timepoint:- | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0066zl_XAV_BactReRun_CN-EL_CHG-R_0hr_3; RAW_FILE_NAME(C8-POS)=B0066zl_XAV_BactReRun_CP-EL_CHG-R_0hr_3; RAW_FILE_NAME(HILIC-POS)=B0066zl_XAV_BactReRun_HP-EL_CHG-R_0hr_3 SUBJECT_SAMPLE_FACTORS - CHG-R_6hr_3 Sample source:Culture | Species:Unspent media | Media:CHG-R | Timepoint:6 | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0066zm_XAV_BactReRun_CN-CHG-R_6hr_3; RAW_FILE_NAME(C8-POS)=B0066zm_XAV_BactReRun_CP-CHG-R_6hr_3; RAW_FILE_NAME(HILIC-POS)=B0066zm_XAV_BactReRun_HP-CHG-R_6hr_3 SUBJECT_SAMPLE_FACTORS - CHG-R_24hr_2 Sample source:Culture | Species:Unspent media | Media:CHG-R | Timepoint:24 | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0066zn_XAV_BactReRun_CN-CHG-R_24hr_2; RAW_FILE_NAME(C8-POS)=B0066zn_XAV_BactReRun_CP-CHG-R_24hr_2; RAW_FILE_NAME(HILIC-POS)=B0066zn_XAV_BactReRun_HP-CHG-R_24hr_2 SUBJECT_SAMPLE_FACTORS - CHG-R_0hr_3 Sample source:Culture | Species:Unspent media | Media:CHG-R | Timepoint:- | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0066zo_XAV_BactReRun_CN-CHG-R_0hr_3; RAW_FILE_NAME(C8-POS)=B0066zo_XAV_BactReRun_CP-CHG-R_0hr_3; RAW_FILE_NAME(HILIC-POS)=B0066zo_XAV_BactReRun_HP-CHG-R_0hr_3 SUBJECT_SAMPLE_FACTORS - CHG-R_6hr_1 Sample source:Culture | Species:Unspent media | Media:CHG-R | Timepoint:6 | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0066zp_XAV_BactReRun_CN-CHG-R_6hr_1; RAW_FILE_NAME(C8-POS)=B0066zp_XAV_BactReRun_CP-CHG-R_6hr_1; RAW_FILE_NAME(HILIC-POS)=B0066zp_XAV_BactReRun_HP-CHG-R_6hr_1 SUBJECT_SAMPLE_FACTORS - CHG-R_0hr_1 Sample source:Culture | Species:Unspent media | Media:CHG-R | Timepoint:- | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0066zq_XAV_BactReRun_CN-CHG-R_0hr_1; RAW_FILE_NAME(C8-POS)=B0066zq_XAV_BactReRun_CP-CHG-R_0hr_1; RAW_FILE_NAME(HILIC-POS)=B0066zq_XAV_BactReRun_HP-CHG-R_0hr_1 SUBJECT_SAMPLE_FACTORS - CHG-R_24hr_1 Sample source:Culture | Species:Unspent media | Media:CHG-R | Timepoint:24 | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0066zr_XAV_BactReRun_CN-CHG-R_24hr_1; RAW_FILE_NAME(C8-POS)=B0066zr_XAV_BactReRun_CP-CHG-R_24hr_1; RAW_FILE_NAME(HILIC-POS)=B0066zr_XAV_BactReRun_HP-CHG-R_24hr_1 SUBJECT_SAMPLE_FACTORS - CHG-R_0hr_2 Sample source:Culture | Species:Unspent media | Media:CHG-R | Timepoint:- | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0066zs_XAV_BactReRun_CN-CHG-R_0hr_2; RAW_FILE_NAME(C8-POS)=B0066zs_XAV_BactReRun_CP-CHG-R_0hr_2; RAW_FILE_NAME(HILIC-POS)=B0066zs_XAV_BactReRun_HP-CHG-R_0hr_2 SUBJECT_SAMPLE_FACTORS - CHG-R_48hr_2 Sample source:Culture | Species:Unspent media | Media:CHG-R | Timepoint:48 | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0066zt_XAV_BactReRun_CN-CHG-R_48hr_2; RAW_FILE_NAME(C8-POS)=B0066zt_XAV_BactReRun_CP-CHG-R_48hr_2; RAW_FILE_NAME(HILIC-POS)=B0066zt_XAV_BactReRun_HP-CHG-R_48hr_2 SUBJECT_SAMPLE_FACTORS - CHG-R_24hr_3 Sample source:Culture | Species:Unspent media | Media:CHG-R | Timepoint:24 | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0066zu_XAV_BactReRun_CN-CHG-R_24hr_3; RAW_FILE_NAME(C8-POS)=B0066zu_XAV_BactReRun_CP-CHG-R_24hr_3; RAW_FILE_NAME(HILIC-POS)=B0066zu_XAV_BactReRun_HP-CHG-R_24hr_3 SUBJECT_SAMPLE_FACTORS - CHG-R_48hr_3 Sample source:Culture | Species:Unspent media | Media:CHG-R | Timepoint:48 | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0066zv_XAV_BactReRun_CN-CHG-R_48hr_3; RAW_FILE_NAME(C8-POS)=B0066zv_XAV_BactReRun_CP-CHG-R_48hr_3; RAW_FILE_NAME(HILIC-POS)=B0066zv_XAV_BactReRun_HP-CHG-R_48hr_3 SUBJECT_SAMPLE_FACTORS - CHG-R_48hr_1 Sample source:Culture | Species:Unspent media | Media:CHG-R | Timepoint:48 | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0066zw_XAV_BactReRun_CN-CHG-R_48hr_1; RAW_FILE_NAME(C8-POS)=B0066zw_XAV_BactReRun_CP-CHG-R_48hr_1; RAW_FILE_NAME(HILIC-POS)=B0066zw_XAV_BactReRun_HP-CHG-R_48hr_1 SUBJECT_SAMPLE_FACTORS - CHG-R_6hr_2 Sample source:Culture | Species:Unspent media | Media:CHG-R | Timepoint:6 | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0066zx_XAV_BactReRun_CN-CHG-R_6hr_2; RAW_FILE_NAME(C8-POS)=B0066zx_XAV_BactReRun_CP-CHG-R_6hr_2; RAW_FILE_NAME(HILIC-POS)=B0066zx_XAV_BactReRun_HP-CHG-R_6hr_2 SUBJECT_SAMPLE_FACTORS - FB_Gifu_0hr_1 Sample source:Culture | Species:Fusobacterium nucleatum | Media:Gifu | Timepoint:- | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0136c_XAV_BactReRun_CN-FB_Gifu_0hr_1; RAW_FILE_NAME(C8-POS)=B0136c_XAV_BactReRun_CP-FB_Gifu_0hr_1; RAW_FILE_NAME(HILIC-POS)=B0136c_XAV_BactReRun_HP-FB_Gifu_0hr_1 SUBJECT_SAMPLE_FACTORS - FB_Gifu_6hr_2 Sample source:Culture | Species:Fusobacterium nucleatum | Media:Gifu | Timepoint:6 | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0136d_XAV_BactReRun_CN-FB_Gifu_6hr_2; RAW_FILE_NAME(C8-POS)=B0136d_XAV_BactReRun_CP-FB_Gifu_6hr_2; RAW_FILE_NAME(HILIC-POS)=B0136d_XAV_BactReRun_HP-FB_Gifu_6hr_2 SUBJECT_SAMPLE_FACTORS - FB_Gifu_48hr_3 Sample source:Culture | Species:Fusobacterium nucleatum | Media:Gifu | Timepoint:48 | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0136e_XAV_BactReRun_CN-FB_Gifu_48hr_3; RAW_FILE_NAME(C8-POS)=B0136e_XAV_BactReRun_CP-FB_Gifu_48hr_3; RAW_FILE_NAME(HILIC-POS)=B0136e_XAV_BactReRun_HP-FB_Gifu_48hr_3 SUBJECT_SAMPLE_FACTORS - FB_Gifu_0hr_3 Sample source:Culture | Species:Fusobacterium nucleatum | Media:Gifu | Timepoint:- | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0136f_XAV_BactReRun_CN-FB_Gifu_0hr_3; RAW_FILE_NAME(C8-POS)=B0136f_XAV_BactReRun_CP-FB_Gifu_0hr_3; RAW_FILE_NAME(HILIC-POS)=B0136f_XAV_BactReRun_HP-FB_Gifu_0hr_3 SUBJECT_SAMPLE_FACTORS - FB_Gifu_6hr_1 Sample source:Culture | Species:Fusobacterium nucleatum | Media:Gifu | Timepoint:6 | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0136g_XAV_BactReRun_CN-FB_Gifu_6hr_1; RAW_FILE_NAME(C8-POS)=B0136g_XAV_BactReRun_CP-FB_Gifu_6hr_1; RAW_FILE_NAME(HILIC-POS)=B0136g_XAV_BactReRun_HP-FB_Gifu_6hr_1 SUBJECT_SAMPLE_FACTORS - FB_Gifu_24hr_2 Sample source:Culture | Species:Fusobacterium nucleatum | Media:Gifu | Timepoint:24 | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0136h_XAV_BactReRun_CN-FB_Gifu_24hr_2; RAW_FILE_NAME(C8-POS)=B0136h_XAV_BactReRun_CP-FB_Gifu_24hr_2; RAW_FILE_NAME(HILIC-POS)=B0136h_XAV_BactReRun_HP-FB_Gifu_24hr_2 SUBJECT_SAMPLE_FACTORS - FB_Gifu_24hr_3 Sample source:Culture | Species:Fusobacterium nucleatum | Media:Gifu | Timepoint:24 | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0136i_XAV_BactReRun_CN-FB_Gifu_24hr_3; RAW_FILE_NAME(C8-POS)=B0136i_XAV_BactReRun_CP-FB_Gifu_24hr_3; RAW_FILE_NAME(HILIC-POS)=B0136i_XAV_BactReRun_HP-FB_Gifu_24hr_3 SUBJECT_SAMPLE_FACTORS - FB_Gifu_48hr_1 Sample source:Culture | Species:Fusobacterium nucleatum | Media:Gifu | Timepoint:48 | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0136j_XAV_BactReRun_CN-FB_Gifu_48hr_1; RAW_FILE_NAME(C8-POS)=B0136j_XAV_BactReRun_CP-FB_Gifu_48hr_1; RAW_FILE_NAME(HILIC-POS)=B0136j_XAV_BactReRun_HP-FB_Gifu_48hr_1 SUBJECT_SAMPLE_FACTORS - FB_Gifu_24hr_1 Sample source:Culture | Species:Fusobacterium nucleatum | Media:Gifu | Timepoint:24 | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0136k_XAV_BactReRun_CN-FB_Gifu_24hr_1; RAW_FILE_NAME(C8-POS)=B0136k_XAV_BactReRun_CP-FB_Gifu_24hr_1; RAW_FILE_NAME(HILIC-POS)=B0136k_XAV_BactReRun_HP-FB_Gifu_24hr_1 SUBJECT_SAMPLE_FACTORS - FB_Gifu_6hr_3 Sample source:Culture | Species:Fusobacterium nucleatum | Media:Gifu | Timepoint:6 | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0136l_XAV_BactReRun_CN-FB_Gifu_6hr_3; RAW_FILE_NAME(C8-POS)=B0136l_XAV_BactReRun_CP-FB_Gifu_6hr_3; RAW_FILE_NAME(HILIC-POS)=B0136l_XAV_BactReRun_HP-FB_Gifu_6hr_3 SUBJECT_SAMPLE_FACTORS - FB_Gifu_48hr_2 Sample source:Culture | Species:Fusobacterium nucleatum | Media:Gifu | Timepoint:48 | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0136m_XAV_BactReRun_CN-FB_Gifu_48hr_2; RAW_FILE_NAME(C8-POS)=B0136m_XAV_BactReRun_CP-FB_Gifu_48hr_2; RAW_FILE_NAME(HILIC-POS)=B0136m_XAV_BactReRun_HP-FB_Gifu_48hr_2 SUBJECT_SAMPLE_FACTORS - FB_Gifu_0hr_2 Sample source:Culture | Species:Fusobacterium nucleatum | Media:Gifu | Timepoint:- | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0136n_XAV_BactReRun_CN-FB_Gifu_0hr_2; RAW_FILE_NAME(C8-POS)=B0136n_XAV_BactReRun_CP-FB_Gifu_0hr_2; RAW_FILE_NAME(HILIC-POS)=B0136n_XAV_BactReRun_HP-FB_Gifu_0hr_2 SUBJECT_SAMPLE_FACTORS - Follow_upGifu-48hr_1 Sample source:Culture | Species:Unspent media | Media:Gifu | Timepoint:48 | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0136o_XAV_BactReRun_CN-Follow_upGifu48hr_1; RAW_FILE_NAME(C8-POS)=B0136o_XAV_BactReRun_CP-Follow_upGifu48hr_1; RAW_FILE_NAME(HILIC-POS)=B0136o_XAV_BactReRun_HP-Follow_upGifu_48hr_1 SUBJECT_SAMPLE_FACTORS - Follow_upGifu-48hr_3 Sample source:Culture | Species:Unspent media | Media:Gifu | Timepoint:48 | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0136p_XAV_BactReRun_CN-Follow_upGifu48hr_3; RAW_FILE_NAME(C8-POS)=B0136p_XAV_BactReRun_CP-Follow_upGifu48hr_3; RAW_FILE_NAME(HILIC-POS)=B0136p_XAV_BactReRun_HP-Follow_upGifu_48hr_3 SUBJECT_SAMPLE_FACTORS - Follow_upGifu-48hr_2 Sample source:Culture | Species:Unspent media | Media:Gifu | Timepoint:48 | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0136q_XAV_BactReRun_CN-Follow_upGifu48hr_2; RAW_FILE_NAME(C8-POS)=B0136q_XAV_BactReRun_CP-Follow_upGifu48hr_2; RAW_FILE_NAME(HILIC-POS)=B0136q_XAV_BactReRun_HP-Follow_upGifu_48hr_2 SUBJECT_SAMPLE_FACTORS - Follow_upGifu-24hr_2 Sample source:Culture | Species:Unspent media | Media:Gifu | Timepoint:24 | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0136r_XAV_BactReRun_CN-Follow_upGifu24hr_2; RAW_FILE_NAME(C8-POS)=B0136r_XAV_BactReRun_CP-Follow_upGifu24hr_2; RAW_FILE_NAME(HILIC-POS)=B0136r_XAV_BactReRun_HP-Follow_upGifu_24hr_2 SUBJECT_SAMPLE_FACTORS - Follow_upGifu-24hr_1 Sample source:Culture | Species:Unspent media | Media:Gifu | Timepoint:24 | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0136s_XAV_BactReRun_CN-Follow_upGifu24hr_1; RAW_FILE_NAME(C8-POS)=B0136s_XAV_BactReRun_CP-Follow_upGifu24hr_1; RAW_FILE_NAME(HILIC-POS)=B0136s_XAV_BactReRun_HP-Follow_upGifu_24hr_1 SUBJECT_SAMPLE_FACTORS - Follow_upGifu-6hr_2 Sample source:Culture | Species:Unspent media | Media:Gifu | Timepoint:6 | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0136t_XAV_BactReRun_CN-Follow_upGifu6hr_2; RAW_FILE_NAME(C8-POS)=B0136t_XAV_BactReRun_CP-Follow_upGifu6hr_2; RAW_FILE_NAME(HILIC-POS)=B0136t_XAV_BactReRun_HP-Follow_upGifu_6hr_2 SUBJECT_SAMPLE_FACTORS - Follow_upGifu-6hr_3 Sample source:Culture | Species:Unspent media | Media:Gifu | Timepoint:6 | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0136u_XAV_BactReRun_CN-Follow_upGifu6hr_3; RAW_FILE_NAME(C8-POS)=B0136u_XAV_BactReRun_CP-Follow_upGifu6hr_3; RAW_FILE_NAME(HILIC-POS)=B0136u_XAV_BactReRun_HP-Follow_upGifu_6hr_3 SUBJECT_SAMPLE_FACTORS - Follow_upGifu-24hr_3 Sample source:Culture | Species:Unspent media | Media:Gifu | Timepoint:24 | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0136v_XAV_BactReRun_CN-Follow_upGifu24hr_3; RAW_FILE_NAME(C8-POS)=B0136v_XAV_BactReRun_CP-Follow_upGifu24hr_3; RAW_FILE_NAME(HILIC-POS)=B0136v_XAV_BactReRun_HP-Follow_upGifu_24hr_3 SUBJECT_SAMPLE_FACTORS - Follow_upGifu-0hr_1 Sample source:Culture | Species:Unspent media | Media:Gifu | Timepoint:- | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0136w_XAV_BactReRun_CN-Follow_upGifu0hr_1; RAW_FILE_NAME(C8-POS)=B0136w_XAV_BactReRun_CP-Follow_upGifu0hr_1; RAW_FILE_NAME(HILIC-POS)=B0136w_XAV_BactReRun_HP-Follow_upGifu_0hr_1 SUBJECT_SAMPLE_FACTORS - Follow_upGifu-0hr_3 Sample source:Culture | Species:Unspent media | Media:Gifu | Timepoint:- | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0136x_XAV_BactReRun_CN-Follow_upGifu0hr_3; RAW_FILE_NAME(C8-POS)=B0136x_XAV_BactReRun_CP-Follow_upGifu0hr_3; RAW_FILE_NAME(HILIC-POS)=B0136x_XAV_BactReRun_HP-Follow_upGifu_0hr_3 SUBJECT_SAMPLE_FACTORS - Follow_upGifu-0hr_2 Sample source:Culture | Species:Unspent media | Media:Gifu | Timepoint:- | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0136y_XAV_BactReRun_CN-Follow_upGifu0hr_2; RAW_FILE_NAME(C8-POS)=B0136y_XAV_BactReRun_CP-Follow_upGifu0hr_2; RAW_FILE_NAME(HILIC-POS)=B0136y_XAV_BactReRun_HP-Follow_upGifu_0hr_2 SUBJECT_SAMPLE_FACTORS - Follow_upGifu-6hr_1 Sample source:Culture | Species:Unspent media | Media:Gifu | Timepoint:6 | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0136z_XAV_BactReRun_CN-Follow_upGifu6hr_1; RAW_FILE_NAME(C8-POS)=B0136z_XAV_BactReRun_CP-Follow_upGifu6hr_1; RAW_FILE_NAME(HILIC-POS)=B0136z_XAV_BactReRun_HP-Follow_upGifu_6hr_1 SUBJECT_SAMPLE_FACTORS - EL_Gifu-R_0hr_2 Sample source:Culture | Species:Eggerthella lenta | Media:Gifu-R | Timepoint:- | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0136za_XAV_BactReRun_CN-EL_Gifu-R_0hr_2; RAW_FILE_NAME(C8-POS)=B0136za_XAV_BactReRun_CP-EL_Gifu-R_0hr_2; RAW_FILE_NAME(HILIC-POS)=B0136za_XAV_BactReRun_HP-EL_Gifu-R_0hr_2 SUBJECT_SAMPLE_FACTORS - EL_Gifu-R_24hr_3 Sample source:Culture | Species:Eggerthella lenta | Media:Gifu-R | Timepoint:24 | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0136zb_XAV_BactReRun_CN-EL_Gifu-R_24hr_3; RAW_FILE_NAME(C8-POS)=B0136zb_XAV_BactReRun_CP-EL_Gifu-R_24hr_3; RAW_FILE_NAME(HILIC-POS)=B0136zb_XAV_BactReRun_HP-EL_Gifu-R_24hr_3 SUBJECT_SAMPLE_FACTORS - EL_Gifu-R_0hr_1 Sample source:Culture | Species:Eggerthella lenta | Media:Gifu-R | Timepoint:- | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0136zc_XAV_BactReRun_CN-EL_Gifu-R_0hr_1; RAW_FILE_NAME(C8-POS)=B0136zc_XAV_BactReRun_CP-EL_Gifu-R_0hr_1; RAW_FILE_NAME(HILIC-POS)=B0136zc_XAV_BactReRun_HP-EL_Gifu-R_0hr_1 SUBJECT_SAMPLE_FACTORS - EL_Gifu-R_48hr_2 Sample source:Culture | Species:Eggerthella lenta | Media:Gifu-R | Timepoint:48 | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0136zd_XAV_BactReRun_CN-EL_Gifu-R_48hr_2; RAW_FILE_NAME(C8-POS)=B0136zd_XAV_BactReRun_CP-EL_Gifu-R_48hr_2; RAW_FILE_NAME(HILIC-POS)=B0136zd_XAV_BactReRun_HP-EL_Gifu-R_48hr_2 SUBJECT_SAMPLE_FACTORS - EL_Gifu-R_0hr_3 Sample source:Culture | Species:Eggerthella lenta | Media:Gifu-R | Timepoint:- | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0136ze_XAV_BactReRun_CN-EL_Gifu-R_0hr_3; RAW_FILE_NAME(C8-POS)=B0136ze_XAV_BactReRun_CP-EL_Gifu-R_0hr_3; RAW_FILE_NAME(HILIC-POS)=B0136ze_XAV_BactReRun_HP-EL_Gifu-R_0hr_3 SUBJECT_SAMPLE_FACTORS - EL_Gifu-R_6hr_3 Sample source:Culture | Species:Eggerthella lenta | Media:Gifu-R | Timepoint:6 | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0136zf_XAV_BactReRun_CN-EL_Gifu-R_6hr_3; RAW_FILE_NAME(C8-POS)=B0136zf_XAV_BactReRun_CP-EL_Gifu-R_6hr_3; RAW_FILE_NAME(HILIC-POS)=B0136zf_XAV_BactReRun_HP-EL_Gifu-R_6hr_3 SUBJECT_SAMPLE_FACTORS - EL_Gifu-R_6hr_2 Sample source:Culture | Species:Eggerthella lenta | Media:Gifu-R | Timepoint:6 | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0136zg_XAV_BactReRun_CN-EL_Gifu-R_6hr_2; RAW_FILE_NAME(C8-POS)=B0136zg_XAV_BactReRun_CP-EL_Gifu-R_6hr_2; RAW_FILE_NAME(HILIC-POS)=B0136zg_XAV_BactReRun_HP-EL_Gifu-R_6hr_2 SUBJECT_SAMPLE_FACTORS - EL_Gifu-R_24hr_2 Sample source:Culture | Species:Eggerthella lenta | Media:Gifu-R | Timepoint:24 | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0136zh_XAV_BactReRun_CN-EL_Gifu-R_24hr_2; RAW_FILE_NAME(C8-POS)=B0136zh_XAV_BactReRun_CP-EL_Gifu-R_24hr_2; RAW_FILE_NAME(HILIC-POS)=B0136zh_XAV_BactReRun_HP-EL_Gifu-R_24hr_2 SUBJECT_SAMPLE_FACTORS - EL_Gifu-R_48hr_1 Sample source:Culture | Species:Eggerthella lenta | Media:Gifu-R | Timepoint:48 | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0136zi_XAV_BactReRun_CN-EL_Gifu-R_48hr_1; RAW_FILE_NAME(C8-POS)=B0136zi_XAV_BactReRun_CP-EL_Gifu-R_48hr_1; RAW_FILE_NAME(HILIC-POS)=B0136zi_XAV_BactReRun_HP-EL_Gifu-R_48hr_1 SUBJECT_SAMPLE_FACTORS - EL_Gifu-R_6hr_1 Sample source:Culture | Species:Eggerthella lenta | Media:Gifu-R | Timepoint:6 | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0136zj_XAV_BactReRun_CN-EL_Gifu-R_6hr_1; RAW_FILE_NAME(C8-POS)=B0136zj_XAV_BactReRun_CP-EL_Gifu-R_6hr_1; RAW_FILE_NAME(HILIC-POS)=B0136zj_XAV_BactReRun_HP-EL_Gifu-R_6hr_1 SUBJECT_SAMPLE_FACTORS - EL_Gifu-R_48hr_3 Sample source:Culture | Species:Eggerthella lenta | Media:Gifu-R | Timepoint:48 | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0136zk_XAV_BactReRun_CN-EL_Gifu-R_48hr_3; RAW_FILE_NAME(C8-POS)=B0136zk_XAV_BactReRun_CP-EL_Gifu-R_48hr_3; RAW_FILE_NAME(HILIC-POS)=B0136zk_XAV_BactReRun_HP-EL_Gifu-R_48hr_3 SUBJECT_SAMPLE_FACTORS - EL_Gifu-R_24hr_1 Sample source:Culture | Species:Eggerthella lenta | Media:Gifu-R | Timepoint:24 | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0136zl_XAV_BactReRun_CN-EL_Gifu-R_24hr_1; RAW_FILE_NAME(C8-POS)=B0136zl_XAV_BactReRun_CP-EL_Gifu-R_24hr_1; RAW_FILE_NAME(HILIC-POS)=B0136zl_XAV_BactReRun_HP-EL_Gifu-R_24hr_1 SUBJECT_SAMPLE_FACTORS - Gifu-R_0hr_3 Sample source:Culture | Species:Unspent media | Media:Gifu-R | Timepoint:- | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0136zm_XAV_BactReRun_CN-Gifu-R_0hr_3; RAW_FILE_NAME(C8-POS)=B0136zm_XAV_BactReRun_CP-Gifu-R_0hr_3; RAW_FILE_NAME(HILIC-POS)=B0136zm_XAV_BactReRun_HP-Gifu-R_0hr_3 SUBJECT_SAMPLE_FACTORS - Gifu-R_24hr_3 Sample source:Culture | Species:Unspent media | Media:Gifu-R | Timepoint:24 | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0136zn_XAV_BactReRun_CN-Gifu-R_24hr_3; RAW_FILE_NAME(C8-POS)=B0136zn_XAV_BactReRun_CP-Gifu-R_24hr_3; RAW_FILE_NAME(HILIC-POS)=B0136zn_XAV_BactReRun_HP-Gifu-R_24hr_3 SUBJECT_SAMPLE_FACTORS - Gifu-R_0hr_1 Sample source:Culture | Species:Unspent media | Media:Gifu-R | Timepoint:- | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0136zo_XAV_BactReRun_CN-Gifu-R_0hr_1; RAW_FILE_NAME(C8-POS)=B0136zo_XAV_BactReRun_CP-Gifu-R_0hr_1; RAW_FILE_NAME(HILIC-POS)=B0136zo_XAV_BactReRun_HP-Gifu-R_0hr_1 SUBJECT_SAMPLE_FACTORS - Gifu-R_0hr_2 Sample source:Culture | Species:Unspent media | Media:Gifu-R | Timepoint:- | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0136zp_XAV_BactReRun_CN-Gifu-R_0hr_2; RAW_FILE_NAME(C8-POS)=B0136zp_XAV_BactReRun_CP-Gifu-R_0hr_2; RAW_FILE_NAME(HILIC-POS)=B0136zp_XAV_BactReRun_HP-Gifu-R_0hr_2 SUBJECT_SAMPLE_FACTORS - Gifu-R_6hr_2 Sample source:Culture | Species:Unspent media | Media:Gifu-R | Timepoint:6 | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0136zq_XAV_BactReRun_CN-Gifu-R_6hr_2; RAW_FILE_NAME(C8-POS)=B0136zq_XAV_BactReRun_CP-Gifu-R_6hr_2; RAW_FILE_NAME(HILIC-POS)=B0136zq_XAV_BactReRun_HP-Gifu-R_6hr_2 SUBJECT_SAMPLE_FACTORS - Gifu-R_6hr_3 Sample source:Culture | Species:Unspent media | Media:Gifu-R | Timepoint:6 | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0136zr_XAV_BactReRun_CN-Gifu-R_6hr_3; RAW_FILE_NAME(C8-POS)=B0136zr_XAV_BactReRun_CP-Gifu-R_6hr_3; RAW_FILE_NAME(HILIC-POS)=B0136zr_XAV_BactReRun_HP-Gifu-R_6hr_3 SUBJECT_SAMPLE_FACTORS - Gifu-R_48hr_2 Sample source:Culture | Species:Unspent media | Media:Gifu-R | Timepoint:48 | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0136zs_XAV_BactReRun_CN-Gifu-R_48hr_2; RAW_FILE_NAME(C8-POS)=B0136zs_XAV_BactReRun_CP-Gifu-R_48hr_2; RAW_FILE_NAME(HILIC-POS)=B0136zs_XAV_BactReRun_HP-Gifu-R_48hr_2 SUBJECT_SAMPLE_FACTORS - Gifu-R_6hr_1 Sample source:Culture | Species:Unspent media | Media:Gifu-R | Timepoint:6 | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0136zt_XAV_BactReRun_CN-Gifu-R_6hr_1; RAW_FILE_NAME(C8-POS)=B0136zt_XAV_BactReRun_CP-Gifu-R_6hr_1; RAW_FILE_NAME(HILIC-POS)=B0136zt_XAV_BactReRun_HP-Gifu-R_6hr_1 SUBJECT_SAMPLE_FACTORS - Gifu-R_24hr_2 Sample source:Culture | Species:Unspent media | Media:Gifu-R | Timepoint:24 | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0136zu_XAV_BactReRun_CN-Gifu-R_24hr_2; RAW_FILE_NAME(C8-POS)=B0136zu_XAV_BactReRun_CP-Gifu-R_24hr_2; RAW_FILE_NAME(HILIC-POS)=B0136zu_XAV_BactReRun_HP-Gifu-R_24hr_2 SUBJECT_SAMPLE_FACTORS - Gifu-R_48hr_1 Sample source:Culture | Species:Unspent media | Media:Gifu-R | Timepoint:48 | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0136zv_XAV_BactReRun_CN-Gifu-R_48hr_1; RAW_FILE_NAME(C8-POS)=B0136zv_XAV_BactReRun_CP-Gifu-R_48hr_1; RAW_FILE_NAME(HILIC-POS)=B0136zv_XAV_BactReRun_HP-Gifu-R_48hr_1 SUBJECT_SAMPLE_FACTORS - Gifu-R_48hr_3 Sample source:Culture | Species:Unspent media | Media:Gifu-R | Timepoint:48 | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0136zw_XAV_BactReRun_CN-Gifu-R_48hr_3; RAW_FILE_NAME(C8-POS)=B0136zw_XAV_BactReRun_CP-Gifu-R_48hr_3; RAW_FILE_NAME(HILIC-POS)=B0136zw_XAV_BactReRun_HP-Gifu-R_48hr_3 SUBJECT_SAMPLE_FACTORS - Gifu-R_24hr_1 Sample source:Culture | Species:Unspent media | Media:Gifu-R | Timepoint:24 | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0136zx_XAV_BactReRun_CN-Gifu-R_24hr_1; RAW_FILE_NAME(C8-POS)=B0136zx_XAV_BactReRun_CP-Gifu-R_24hr_1; RAW_FILE_NAME(HILIC-POS)=B0136zx_XAV_BactReRun_HP-Gifu-R_24hr_1 SUBJECT_SAMPLE_FACTORS - FB_Mega_6hr_2 Sample source:Culture | Species:Fusobacterium nucleatum | Media:Mega | Timepoint:6 | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0197_XAV_BactReRun_CN-FB_Mega_6hr_2; RAW_FILE_NAME(C8-POS)=B0197_XAV_BactReRun_CP-FB_Mega_6hr_2; RAW_FILE_NAME(HILIC-POS)=B0197_XAV_BactReRun_HP-FB_Mega_6hr_2 SUBJECT_SAMPLE_FACTORS - FB_Mega_24hr_2 Sample source:Culture | Species:Fusobacterium nucleatum | Media:Mega | Timepoint:24 | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0198_XAV_BactReRun_CN-FB_Mega_24hr_2; RAW_FILE_NAME(C8-POS)=B0198_XAV_BactReRun_CP-FB_Mega_24hr_2; RAW_FILE_NAME(HILIC-POS)=B0198_XAV_BactReRun_HP-FB_Mega_24hr_2 SUBJECT_SAMPLE_FACTORS - FB_Mega_6hr_3 Sample source:Culture | Species:Fusobacterium nucleatum | Media:Mega | Timepoint:6 | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0199_XAV_BactReRun_CN-FB_Mega_6hr_3; RAW_FILE_NAME(C8-POS)=B0199_XAV_BactReRun_CP-FB_Mega_6hr_3; RAW_FILE_NAME(HILIC-POS)=B0199_XAV_BactReRun_HP-FB_Mega_6hr_3 SUBJECT_SAMPLE_FACTORS - FB_Mega_48hr_1 Sample source:Culture | Species:Fusobacterium nucleatum | Media:Mega | Timepoint:48 | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0200_XAV_BactReRun_CN-FB_Mega_48hr_1; RAW_FILE_NAME(C8-POS)=B0200_XAV_BactReRun_CP-FB_Mega_48hr_1; RAW_FILE_NAME(HILIC-POS)=B0200_XAV_BactReRun_HP-FB_Mega_48hr_1 SUBJECT_SAMPLE_FACTORS - FB_Mega_24hr_3 Sample source:Culture | Species:Fusobacterium nucleatum | Media:Mega | Timepoint:24 | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0201_XAV_BactReRun_CN-FB_Mega_24hr_3; RAW_FILE_NAME(C8-POS)=B0201_XAV_BactReRun_CP-FB_Mega_24hr_3; RAW_FILE_NAME(HILIC-POS)=B0201_XAV_BactReRun_HP-FB_Mega_24hr_3 SUBJECT_SAMPLE_FACTORS - FB_Mega_0hr_1 Sample source:Culture | Species:Fusobacterium nucleatum | Media:Mega | Timepoint:- | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0202_XAV_BactReRun_CN-FB_Mega_0hr_1; RAW_FILE_NAME(C8-POS)=B0202_XAV_BactReRun_CP-FB_Mega_0hr_1; RAW_FILE_NAME(HILIC-POS)=B0202_XAV_BactReRun_HP-FB_Mega_0hr_1 SUBJECT_SAMPLE_FACTORS - FB_Mega_48hr_3 Sample source:Culture | Species:Fusobacterium nucleatum | Media:Mega | Timepoint:48 | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0203_XAV_BactReRun_CN-FB_Mega_48hr_3; RAW_FILE_NAME(C8-POS)=B0203_XAV_BactReRun_CP-FB_Mega_48hr_3; RAW_FILE_NAME(HILIC-POS)=B0203_XAV_BactReRun_HP-FB_Mega_48hr_3 SUBJECT_SAMPLE_FACTORS - FB_Mega_6hr_1 Sample source:Culture | Species:Fusobacterium nucleatum | Media:Mega | Timepoint:6 | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0204_XAV_BactReRun_CN-FB_Mega_6hr_1; RAW_FILE_NAME(C8-POS)=B0204_XAV_BactReRun_CP-FB_Mega_6hr_1; RAW_FILE_NAME(HILIC-POS)=B0204_XAV_BactReRun_HP-FB_Mega_6hr_1 SUBJECT_SAMPLE_FACTORS - FB_Mega_48hr_2 Sample source:Culture | Species:Fusobacterium nucleatum | Media:Mega | Timepoint:48 | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0205_XAV_BactReRun_CN-FB_Mega_48hr_2; RAW_FILE_NAME(C8-POS)=B0205_XAV_BactReRun_CP-FB_Mega_48hr_2; RAW_FILE_NAME(HILIC-POS)=B0205_XAV_BactReRun_HP-FB_Mega_48hr_2 SUBJECT_SAMPLE_FACTORS - FB_Mega_24hr_1 Sample source:Culture | Species:Fusobacterium nucleatum | Media:Mega | Timepoint:24 | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0206_XAV_BactReRun_CN-FB_Mega_24hr_1; RAW_FILE_NAME(C8-POS)=B0206_XAV_BactReRun_CP-FB_Mega_24hr_1; RAW_FILE_NAME(HILIC-POS)=B0206_XAV_BactReRun_HP-FB_Mega_24hr_1 SUBJECT_SAMPLE_FACTORS - FB_Mega_0hr_2 Sample source:Culture | Species:Fusobacterium nucleatum | Media:Mega | Timepoint:- | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0207_XAV_BactReRun_CN-FB_Mega_0hr_2; RAW_FILE_NAME(C8-POS)=B0207_XAV_BactReRun_CP-FB_Mega_0hr_2; RAW_FILE_NAME(HILIC-POS)=B0207_XAV_BactReRun_HP-FB_Mega_0hr_2 SUBJECT_SAMPLE_FACTORS - FB_Mega_0hr_3 Sample source:Culture | Species:Fusobacterium nucleatum | Media:Mega | Timepoint:- | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0208_XAV_BactReRun_CN-FB_Mega_0hr_3; RAW_FILE_NAME(C8-POS)=B0208_XAV_BactReRun_CP-FB_Mega_0hr_3; RAW_FILE_NAME(HILIC-POS)=B0208_XAV_BactReRun_HP-FB_Mega_0hr_3 SUBJECT_SAMPLE_FACTORS - Follow_upMega_0hr_2 Sample source:Culture | Species:Unspent media | Media:Mega | Timepoint:- | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0209_XAV_BactReRun_CN-Follow_upMega_0hr_2; RAW_FILE_NAME(C8-POS)=B0209_XAV_BactReRun_CP-Follow_upMega_0hr_2; RAW_FILE_NAME(HILIC-POS)=B0209_XAV_BactReRun_HP-Follow_upMega_0hr_2 SUBJECT_SAMPLE_FACTORS - Follow_upMega_6hr_1 Sample source:Culture | Species:Unspent media | Media:Mega | Timepoint:6 | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0210_XAV_BactReRun_CN-Follow_upMega_6hr_1; RAW_FILE_NAME(C8-POS)=B0210_XAV_BactReRun_CP-Follow_upMega_6hr_1; RAW_FILE_NAME(HILIC-POS)=B0210_XAV_BactReRun_HP-Follow_upMega_6hr_1 SUBJECT_SAMPLE_FACTORS - Follow_upMega_0hr_3 Sample source:Culture | Species:Unspent media | Media:Mega | Timepoint:- | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0211_XAV_BactReRun_CN-Follow_upMega_0hr_3; RAW_FILE_NAME(C8-POS)=B0211_XAV_BactReRun_CP-Follow_upMega_0hr_3; RAW_FILE_NAME(HILIC-POS)=B0211_XAV_BactReRun_HP-Follow_upMega_0hr_3 SUBJECT_SAMPLE_FACTORS - Follow_upMega_24hr_2 Sample source:Culture | Species:Unspent media | Media:Mega | Timepoint:24 | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0212_XAV_BactReRun_CN-Follow_upMega_24hr_2; RAW_FILE_NAME(C8-POS)=B0212_XAV_BactReRun_CP-Follow_upMega_24hr_2; RAW_FILE_NAME(HILIC-POS)=B0212_XAV_BactReRun_HP-Follow_upMega_24hr_2 SUBJECT_SAMPLE_FACTORS - Follow_upMega_48hr_3 Sample source:Culture | Species:Unspent media | Media:Mega | Timepoint:48 | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0213_XAV_BactReRun_CN-Follow_upMega_48hr_3; RAW_FILE_NAME(C8-POS)=B0213_XAV_BactReRun_CP-Follow_upMega_48hr_3; RAW_FILE_NAME(HILIC-POS)=B0213_XAV_BactReRun_HP-Follow_upMega_48hr_3 SUBJECT_SAMPLE_FACTORS - Follow_upMega_6hr_3 Sample source:Culture | Species:Unspent media | Media:Mega | Timepoint:6 | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0214_XAV_BactReRun_CN-Follow_upMega_6hr_3; RAW_FILE_NAME(C8-POS)=B0214_XAV_BactReRun_CP-Follow_upMega_6hr_3; RAW_FILE_NAME(HILIC-POS)=B0214_XAV_BactReRun_HP-Follow_upMega_6hr_3 SUBJECT_SAMPLE_FACTORS - Follow_upMega_24hr_1 Sample source:Culture | Species:Unspent media | Media:Mega | Timepoint:24 | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0215_XAV_BactReRun_CN-Follow_upMega_24hr_1; RAW_FILE_NAME(C8-POS)=B0215_XAV_BactReRun_CP-Follow_upMega_24hr_1; RAW_FILE_NAME(HILIC-POS)=B0215_XAV_BactReRun_HP-Follow_upMega_24hr_1 SUBJECT_SAMPLE_FACTORS - Follow_upMega_48hr_1 Sample source:Culture | Species:Unspent media | Media:Mega | Timepoint:48 | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0216_XAV_BactReRun_CN-Follow_upMega_48hr_1; RAW_FILE_NAME(C8-POS)=B0216_XAV_BactReRun_CP-Follow_upMega_48hr_1; RAW_FILE_NAME(HILIC-POS)=B0216_XAV_BactReRun_HP-Follow_upMega_48hr_1 SUBJECT_SAMPLE_FACTORS - Follow_upMega_6hr_2 Sample source:Culture | Species:Unspent media | Media:Mega | Timepoint:6 | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0217_XAV_BactReRun_CN-Follow_upMega_6hr_2; RAW_FILE_NAME(C8-POS)=B0217_XAV_BactReRun_CP-Follow_upMega_6hr_2; RAW_FILE_NAME(HILIC-POS)=B0217_XAV_BactReRun_HP-Follow_upMega_6hr_2 SUBJECT_SAMPLE_FACTORS - Follow_upMega_24hr_3 Sample source:Culture | Species:Unspent media | Media:Mega | Timepoint:24 | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0218_XAV_BactReRun_CN-Follow_upMega_24hr_3; RAW_FILE_NAME(C8-POS)=B0218_XAV_BactReRun_CP-Follow_upMega_24hr_3; RAW_FILE_NAME(HILIC-POS)=B0218_XAV_BactReRun_HP-Follow_upMega_24hr_3 SUBJECT_SAMPLE_FACTORS - Follow_upMega_0hr_1 Sample source:Culture | Species:Unspent media | Media:Mega | Timepoint:- | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0219_XAV_BactReRun_CN-Follow_upMega_0hr_1; RAW_FILE_NAME(C8-POS)=B0219_XAV_BactReRun_CP-Follow_upMega_0hr_1; RAW_FILE_NAME(HILIC-POS)=B0219_XAV_BactReRun_HP-Follow_upMega_0hr_1 SUBJECT_SAMPLE_FACTORS - Follow_upMega_48hr_2 Sample source:Culture | Species:Unspent media | Media:Mega | Timepoint:48 | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0220_XAV_BactReRun_CN-Follow_upMega_48hr_2; RAW_FILE_NAME(C8-POS)=B0220_XAV_BactReRun_CP-Follow_upMega_48hr_2; RAW_FILE_NAME(HILIC-POS)=B0220_XAV_BactReRun_HP-Follow_upMega_48hr_2 SUBJECT_SAMPLE_FACTORS - EL_Mega-R_24hr_3 Sample source:Culture | Species:Eggerthella lenta | Media:Mega-R | Timepoint:24 | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0221_XAV_BactReRun_CN-EL_Mega-R_24hr_3; RAW_FILE_NAME(C8-POS)=B0221_XAV_BactReRun_CP-EL_Mega-R_24hr_3; RAW_FILE_NAME(HILIC-POS)=B0221_XAV_BactReRun_HP-EL_Mega-R_24hr_3 SUBJECT_SAMPLE_FACTORS - EL_Mega-R_24hr_1 Sample source:Culture | Species:Eggerthella lenta | Media:Mega-R | Timepoint:24 | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0222_XAV_BactReRun_CN-EL_Mega-R_24hr_1; RAW_FILE_NAME(C8-POS)=B0222_XAV_BactReRun_CP-EL_Mega-R_24hr_1; RAW_FILE_NAME(HILIC-POS)=B0222_XAV_BactReRun_HP-EL_Mega-R_24hr_1 SUBJECT_SAMPLE_FACTORS - EL_Mega-R_0hr_3 Sample source:Culture | Species:Eggerthella lenta | Media:Mega-R | Timepoint:- | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0223_XAV_BactReRun_CN-EL_Mega-R_0hr_3; RAW_FILE_NAME(C8-POS)=B0223_XAV_BactReRun_CP-EL_Mega-R_0hr_3; RAW_FILE_NAME(HILIC-POS)=B0223_XAV_BactReRun_HP-EL_Mega-R_0hr_3 SUBJECT_SAMPLE_FACTORS - EL_Mega-R_6hr_1 Sample source:Culture | Species:Eggerthella lenta | Media:Mega-R | Timepoint:6 | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0224_XAV_BactReRun_CN-EL_Mega-R_6hr_1; RAW_FILE_NAME(C8-POS)=B0224_XAV_BactReRun_CP-EL_Mega-R_6hr_1; RAW_FILE_NAME(HILIC-POS)=B0224_XAV_BactReRun_HP-EL_Mega-R_6hr_1 SUBJECT_SAMPLE_FACTORS - EL_Mega-R_0hr_1 Sample source:Culture | Species:Eggerthella lenta | Media:Mega-R | Timepoint:- | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0225_XAV_BactReRun_CN-EL_Mega-R_0hr_1; RAW_FILE_NAME(C8-POS)=B0225_XAV_BactReRun_CP-EL_Mega-R_0hr_1; RAW_FILE_NAME(HILIC-POS)=B0225_XAV_BactReRun_HP-EL_Mega-R_0hr_1 SUBJECT_SAMPLE_FACTORS - EL_Mega-R_6hr_3 Sample source:Culture | Species:Eggerthella lenta | Media:Mega-R | Timepoint:6 | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0226_XAV_BactReRun_CN-EL_Mega-R_6hr_3; RAW_FILE_NAME(C8-POS)=B0226_XAV_BactReRun_CP-EL_Mega-R_6hr_3; RAW_FILE_NAME(HILIC-POS)=B0226_XAV_BactReRun_HP-EL_Mega-R_6hr_3 SUBJECT_SAMPLE_FACTORS - EL_Mega-R_6hr_2 Sample source:Culture | Species:Eggerthella lenta | Media:Mega-R | Timepoint:6 | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0227_XAV_BactReRun_CN-EL_Mega-R_6hr_2; RAW_FILE_NAME(C8-POS)=B0227_XAV_BactReRun_CP-EL_Mega-R_6hr_2; RAW_FILE_NAME(HILIC-POS)=B0227_XAV_BactReRun_HP-EL_Mega-R_6hr_2 SUBJECT_SAMPLE_FACTORS - EL_Mega-R_48hr_3 Sample source:Culture | Species:Eggerthella lenta | Media:Mega-R | Timepoint:48 | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0228_XAV_BactReRun_CN-EL_Mega-R_48hr_3; RAW_FILE_NAME(C8-POS)=B0228_XAV_BactReRun_CP-EL_Mega-R_48hr_3; RAW_FILE_NAME(HILIC-POS)=B0228_XAV_BactReRun_HP-EL_Mega-R_48hr_3 SUBJECT_SAMPLE_FACTORS - EL_Mega-R_48hr_2 Sample source:Culture | Species:Eggerthella lenta | Media:Mega-R | Timepoint:48 | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0229_XAV_BactReRun_CN-EL_Mega-R_48hr_2; RAW_FILE_NAME(C8-POS)=B0229_XAV_BactReRun_CP-EL_Mega-R_48hr_2; RAW_FILE_NAME(HILIC-POS)=B0229_XAV_BactReRun_HP-EL_Mega-R_48hr_2 SUBJECT_SAMPLE_FACTORS - EL_Mega-R_0hr_2 Sample source:Culture | Species:Eggerthella lenta | Media:Mega-R | Timepoint:- | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0230_XAV_BactReRun_CN-EL_Mega-R_0hr_2; RAW_FILE_NAME(C8-POS)=B0230_XAV_BactReRun_CP-EL_Mega-R_0hr_2; RAW_FILE_NAME(HILIC-POS)=B0230_XAV_BactReRun_HP-EL_Mega-R_0hr_2 SUBJECT_SAMPLE_FACTORS - EL_Mega-R_24hr_2 Sample source:Culture | Species:Eggerthella lenta | Media:Mega-R | Timepoint:24 | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0231_XAV_BactReRun_CN-EL_Mega-R_24hr_2; RAW_FILE_NAME(C8-POS)=B0231_XAV_BactReRun_CP-EL_Mega-R_24hr_2; RAW_FILE_NAME(HILIC-POS)=B0231_XAV_BactReRun_HP-EL_Mega-R_24hr_2 SUBJECT_SAMPLE_FACTORS - EL_Mega-R_48hr_1 Sample source:Culture | Species:Eggerthella lenta | Media:Mega-R | Timepoint:48 | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0232_XAV_BactReRun_CN-EL_Mega-R_48hr_1; RAW_FILE_NAME(C8-POS)=B0232_XAV_BactReRun_CP-EL_Mega-R_48hr_1; RAW_FILE_NAME(HILIC-POS)=B0232_XAV_BactReRun_HP-EL_Mega-R_48hr_1 SUBJECT_SAMPLE_FACTORS - Mega-R_6hr_1 Sample source:Culture | Species:Unspent media | Media:Mega-R | Timepoint:6 | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0233_XAV_BactReRun_CN-Mega-R_6hr_1; RAW_FILE_NAME(C8-POS)=B0233_XAV_BactReRun_CP-Mega-R_6hr_1; RAW_FILE_NAME(HILIC-POS)=B0233_XAV_BactReRun_HP-Mega-R_6hr_1 SUBJECT_SAMPLE_FACTORS - Mega-R_48hr_3 Sample source:Culture | Species:Unspent media | Media:Mega-R | Timepoint:48 | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0234_XAV_BactReRun_CN-Mega-R_48hr_3; RAW_FILE_NAME(C8-POS)=B0234_XAV_BactReRun_CP-Mega-R_48hr_3; RAW_FILE_NAME(HILIC-POS)=B0234_XAV_BactReRun_HP-Mega-R_48hr_3 SUBJECT_SAMPLE_FACTORS - Mega-R_48hr_1 Sample source:Culture | Species:Unspent media | Media:Mega-R | Timepoint:48 | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0235_XAV_BactReRun_CN-Mega-R_48hr_1; RAW_FILE_NAME(C8-POS)=B0235_XAV_BactReRun_CP-Mega-R_48hr_1; RAW_FILE_NAME(HILIC-POS)=B0235_XAV_BactReRun_HP-Mega-R_48hr_1 SUBJECT_SAMPLE_FACTORS - Mega-R_0hr_1 Sample source:Culture | Species:Unspent media | Media:Mega-R | Timepoint:- | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0236_XAV_BactReRun_CN-Mega-R_0hr_1; RAW_FILE_NAME(C8-POS)=B0236_XAV_BactReRun_CP-Mega-R_0hr_1; RAW_FILE_NAME(HILIC-POS)=B0236_XAV_BactReRun_HP-Mega-R_0hr_1 SUBJECT_SAMPLE_FACTORS - Mega-R_24hr_2 Sample source:Culture | Species:Unspent media | Media:Mega-R | Timepoint:24 | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0237_XAV_BactReRun_CN-Mega-R_24hr_2; RAW_FILE_NAME(C8-POS)=B0237_XAV_BactReRun_CP-Mega-R_24hr_2; RAW_FILE_NAME(HILIC-POS)=B0237_XAV_BactReRun_HP-Mega-R_24hr_2 SUBJECT_SAMPLE_FACTORS - Mega-R_0hr_2 Sample source:Culture | Species:Unspent media | Media:Mega-R | Timepoint:- | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0238_XAV_BactReRun_CN-Mega-R_0hr_2; RAW_FILE_NAME(C8-POS)=B0238_XAV_BactReRun_CP-Mega-R_0hr_2; RAW_FILE_NAME(HILIC-POS)=B0238_XAV_BactReRun_HP-Mega-R_0hr_2 SUBJECT_SAMPLE_FACTORS - Mega-R_6hr_3 Sample source:Culture | Species:Unspent media | Media:Mega-R | Timepoint:6 | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0239_XAV_BactReRun_CN-Mega-R_6hr_3; RAW_FILE_NAME(C8-POS)=B0239_XAV_BactReRun_CP-Mega-R_6hr_3; RAW_FILE_NAME(HILIC-POS)=B0239_XAV_BactReRun_HP-Mega-R_6hr_3 SUBJECT_SAMPLE_FACTORS - Mega-R_24hr_1 Sample source:Culture | Species:Unspent media | Media:Mega-R | Timepoint:24 | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0240_XAV_BactReRun_CN-Mega-R_24hr_1; RAW_FILE_NAME(C8-POS)=B0240_XAV_BactReRun_CP-Mega-R_24hr_1; RAW_FILE_NAME(HILIC-POS)=B0240_XAV_BactReRun_HP-Mega-R_24hr_1 SUBJECT_SAMPLE_FACTORS - Mega-R_24hr_3 Sample source:Culture | Species:Unspent media | Media:Mega-R | Timepoint:24 | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0241_XAV_BactReRun_CN-Mega-R_24hr_3; RAW_FILE_NAME(C8-POS)=B0241_XAV_BactReRun_CP-Mega-R_24hr_3; RAW_FILE_NAME(HILIC-POS)=B0241_XAV_BactReRun_HP-Mega-R_24hr_3 SUBJECT_SAMPLE_FACTORS - Mega-R_48hr_2 Sample source:Culture | Species:Unspent media | Media:Mega-R | Timepoint:48 | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0242_XAV_BactReRun_CN-Mega-R_48hr_2; RAW_FILE_NAME(C8-POS)=B0242_XAV_BactReRun_CP-Mega-R_48hr_2; RAW_FILE_NAME(HILIC-POS)=B0242_XAV_BactReRun_HP-Mega-R_48hr_2 SUBJECT_SAMPLE_FACTORS - Mega-R_0hr_3 Sample source:Culture | Species:Unspent media | Media:Mega-R | Timepoint:- | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0243_XAV_BactReRun_CN-Mega-R_0hr_3; RAW_FILE_NAME(C8-POS)=B0243_XAV_BactReRun_CP-Mega-R_0hr_3; RAW_FILE_NAME(HILIC-POS)=B0243_XAV_BactReRun_HP-Mega-R_0hr_3 SUBJECT_SAMPLE_FACTORS - Mega-R_6hr_2 Sample source:Culture | Species:Unspent media | Media:Mega-R | Timepoint:6 | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0244_XAV_BactReRun_CN-Mega-R_6hr_2; RAW_FILE_NAME(C8-POS)=B0244_XAV_BactReRun_CP-Mega-R_6hr_2; RAW_FILE_NAME(HILIC-POS)=B0244_XAV_BactReRun_HP-Mega-R_6hr_2 SUBJECT_SAMPLE_FACTORS - EL_BHI-R_48hr_1 Sample source:Culture | Species:Eggerthella lenta | Media:BHI-R | Timepoint:48 | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0245_XAV_BactReRun_CN-EL_BHI-R_48hr_1; RAW_FILE_NAME(C8-POS)=B0245_XAV_BactReRun_CP-EL_BHI-R_48hr_1; RAW_FILE_NAME(HILIC-POS)=B0245_XAV_BactReRun_HP-EL_BHI-R_48hr_1 SUBJECT_SAMPLE_FACTORS - EL_BHI-R_24hr_2 Sample source:Culture | Species:Eggerthella lenta | Media:BHI-R | Timepoint:24 | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0246_XAV_BactReRun_CN-EL_BHI-R_24hr_2; RAW_FILE_NAME(C8-POS)=B0246_XAV_BactReRun_CP-EL_BHI-R_24hr_2; RAW_FILE_NAME(HILIC-POS)=B0246_XAV_BactReRun_HP-EL_BHI-R_24hr_2 SUBJECT_SAMPLE_FACTORS - EL_BHI-R_6hr_2 Sample source:Culture | Species:Eggerthella lenta | Media:BHI-R | Timepoint:6 | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0247_XAV_BactReRun_CN-EL_BHI-R_6hr_2; RAW_FILE_NAME(C8-POS)=B0247_XAV_BactReRun_CP-EL_BHI-R_6hr_2; RAW_FILE_NAME(HILIC-POS)=B0247_XAV_BactReRun_HP-EL_BHI-R_6hr_2 SUBJECT_SAMPLE_FACTORS - EL_BHI-R_24hr_1 Sample source:Culture | Species:Eggerthella lenta | Media:BHI-R | Timepoint:24 | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0248_XAV_BactReRun_CN-EL_BHI-R_24hr_1; RAW_FILE_NAME(C8-POS)=B0248_XAV_BactReRun_CP-EL_BHI-R_24hr_1; RAW_FILE_NAME(HILIC-POS)=B0248_XAV_BactReRun_HP-EL_BHI-R_24hr_1 SUBJECT_SAMPLE_FACTORS - EL_BHI-R_0hr_1 Sample source:Culture | Species:Eggerthella lenta | Media:BHI-R | Timepoint:- | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0249_XAV_BactReRun_CN-EL_BHI-R_0hr_1; RAW_FILE_NAME(C8-POS)=B0249_XAV_BactReRun_CP-EL_BHI-R_0hr_1; RAW_FILE_NAME(HILIC-POS)=B0249_XAV_BactReRun_HP-EL_BHI-R_0hr_1 SUBJECT_SAMPLE_FACTORS - EL_BHI-R_48hr_2 Sample source:Culture | Species:Eggerthella lenta | Media:BHI-R | Timepoint:48 | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0250_XAV_BactReRun_CN-EL_BHI-R_48hr_2; RAW_FILE_NAME(C8-POS)=B0250_XAV_BactReRun_CP-EL_BHI-R_48hr_2; RAW_FILE_NAME(HILIC-POS)=B0250_XAV_BactReRun_HP-EL_BHI-R_48hr_2 SUBJECT_SAMPLE_FACTORS - EL_BHI-R_0hr_3 Sample source:Culture | Species:Eggerthella lenta | Media:BHI-R | Timepoint:- | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0251_XAV_BactReRun_CN-EL_BHI-R_0hr_3; RAW_FILE_NAME(C8-POS)=B0251_XAV_BactReRun_CP-EL_BHI-R_0hr_3; RAW_FILE_NAME(HILIC-POS)=B0251_XAV_BactReRun_HP-EL_BHI-R_0hr_3 SUBJECT_SAMPLE_FACTORS - EL_BHI-R_24hr_3 Sample source:Culture | Species:Eggerthella lenta | Media:BHI-R | Timepoint:24 | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0252_XAV_BactReRun_CN-EL_BHI-R_24hr_3; RAW_FILE_NAME(C8-POS)=B0252_XAV_BactReRun_CP-EL_BHI-R_24hr_3; RAW_FILE_NAME(HILIC-POS)=B0252_XAV_BactReRun_HP-EL_BHI-R_24hr_3 SUBJECT_SAMPLE_FACTORS - EL_BHI-R_48hr_3 Sample source:Culture | Species:Eggerthella lenta | Media:BHI-R | Timepoint:48 | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0253_XAV_BactReRun_CN-EL_BHI-R_48hr_3; RAW_FILE_NAME(C8-POS)=B0253_XAV_BactReRun_CP-EL_BHI-R_48hr_3; RAW_FILE_NAME(HILIC-POS)=B0253_XAV_BactReRun_HP-EL_BHI-R_48hr_3 SUBJECT_SAMPLE_FACTORS - EL_BHI-R_6hr_1 Sample source:Culture | Species:Eggerthella lenta | Media:BHI-R | Timepoint:6 | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0254_XAV_BactReRun_CN-EL_BHI-R_6hr_1; RAW_FILE_NAME(C8-POS)=B0254_XAV_BactReRun_CP-EL_BHI-R_6hr_1; RAW_FILE_NAME(HILIC-POS)=B0254_XAV_BactReRun_HP-EL_BHI-R_6hr_1 SUBJECT_SAMPLE_FACTORS - EL_BHI-R_6hr_3 Sample source:Culture | Species:Eggerthella lenta | Media:BHI-R | Timepoint:6 | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0255_XAV_BactReRun_CN-EL_BHI-R_6hr_3; RAW_FILE_NAME(C8-POS)=B0255_XAV_BactReRun_CP-EL_BHI-R_6hr_3; RAW_FILE_NAME(HILIC-POS)=B0255_XAV_BactReRun_HP-EL_BHI-R_6hr_3 SUBJECT_SAMPLE_FACTORS - EL_BHI-R_0hr_2 Sample source:Culture | Species:Eggerthella lenta | Media:BHI-R | Timepoint:- | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0256_XAV_BactReRun_CN-EL_BHI-R_0hr_2; RAW_FILE_NAME(C8-POS)=B0256_XAV_BactReRun_CP-EL_BHI-R_0hr_2; RAW_FILE_NAME(HILIC-POS)=B0256_XAV_BactReRun_HP-EL_BHI-R_0hr_2 SUBJECT_SAMPLE_FACTORS - BHI-R_6hr_2 Sample source:Culture | Species:Unspent media | Media:BHI-R | Timepoint:6 | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0257_XAV_BactReRun_CN-BHI-R_6hr_2; RAW_FILE_NAME(C8-POS)=B0257_XAV_BactReRun_CP-BHI-R_6hr_2; RAW_FILE_NAME(HILIC-POS)=B0257_XAV_BactReRun_HP-BHI-R_6hr_2 SUBJECT_SAMPLE_FACTORS - BHI-R_0hr_1 Sample source:Culture | Species:Unspent media | Media:BHI-R | Timepoint:- | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0258_XAV_BactReRun_CN-BHI-R_0hr_1; RAW_FILE_NAME(C8-POS)=B0258_XAV_BactReRun_CP-BHI-R_0hr_1; RAW_FILE_NAME(HILIC-POS)=B0258_XAV_BactReRun_HP-BHI-R_0hr_1 SUBJECT_SAMPLE_FACTORS - BHI-R_24hr_2 Sample source:Culture | Species:Unspent media | Media:BHI-R | Timepoint:24 | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0259_XAV_BactReRun_CN-BHI-R_24hr_2; RAW_FILE_NAME(C8-POS)=B0259_XAV_BactReRun_CP-BHI-R_24hr_2; RAW_FILE_NAME(HILIC-POS)=B0259_XAV_BactReRun_HP-BHI-R_24hr_2 SUBJECT_SAMPLE_FACTORS - BHI-R_48hr_3 Sample source:Culture | Species:Unspent media | Media:BHI-R | Timepoint:48 | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0260_XAV_BactReRun_CN-BHI-R_48hr_3; RAW_FILE_NAME(C8-POS)=B0260_XAV_BactReRun_CP-BHI-R_48hr_3; RAW_FILE_NAME(HILIC-POS)=B0260_XAV_BactReRun_HP-BHI-R_48hr_3 SUBJECT_SAMPLE_FACTORS - BHI-R_6hr_3 Sample source:Culture | Species:Unspent media | Media:BHI-R | Timepoint:6 | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0261_XAV_BactReRun_CN-BHI-R_6hr_3; RAW_FILE_NAME(C8-POS)=B0261_XAV_BactReRun_CP-BHI-R_6hr_3; RAW_FILE_NAME(HILIC-POS)=B0261_XAV_BactReRun_HP-BHI-R_6hr_3 SUBJECT_SAMPLE_FACTORS - BHI-R_6hr_1 Sample source:Culture | Species:Unspent media | Media:BHI-R | Timepoint:6 | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0262_XAV_BactReRun_CN-BHI-R_6hr_1; RAW_FILE_NAME(C8-POS)=B0262_XAV_BactReRun_CP-BHI-R_6hr_1; RAW_FILE_NAME(HILIC-POS)=B0262_XAV_BactReRun_HP-BHI-R_6hr_1 SUBJECT_SAMPLE_FACTORS - BHI-R_0hr_3 Sample source:Culture | Species:Unspent media | Media:BHI-R | Timepoint:- | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0263_XAV_BactReRun_CN-BHI-R_0hr_3; RAW_FILE_NAME(C8-POS)=B0263_XAV_BactReRun_CP-BHI-R_0hr_3; RAW_FILE_NAME(HILIC-POS)=B0263_XAV_BactReRun_HP-BHI-R_0hr_3 SUBJECT_SAMPLE_FACTORS - BHI-R_24hr_1 Sample source:Culture | Species:Unspent media | Media:BHI-R | Timepoint:24 | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0264_XAV_BactReRun_CN-BHI-R_24hr_1; RAW_FILE_NAME(C8-POS)=B0264_XAV_BactReRun_CP-BHI-R_24hr_1; RAW_FILE_NAME(HILIC-POS)=B0264_XAV_BactReRun_HP-BHI-R_24hr_1 SUBJECT_SAMPLE_FACTORS - BHI-R_48hr_2 Sample source:Culture | Species:Unspent media | Media:BHI-R | Timepoint:48 | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0265_XAV_BactReRun_CN-BHI-R_48hr_2; RAW_FILE_NAME(C8-POS)=B0265_XAV_BactReRun_CP-BHI-R_48hr_2; RAW_FILE_NAME(HILIC-POS)=B0265_XAV_BactReRun_HP-BHI-R_48hr_2 SUBJECT_SAMPLE_FACTORS - BHI-R_0hr_2 Sample source:Culture | Species:Unspent media | Media:BHI-R | Timepoint:- | Replicate:R2 RAW_FILE_NAME(C18-NEG)=B0266_XAV_BactReRun_CN-BHI-R_0hr_2; RAW_FILE_NAME(C8-POS)=B0266_XAV_BactReRun_CP-BHI-R_0hr_2; RAW_FILE_NAME(HILIC-POS)=B0266_XAV_BactReRun_HP-BHI-R_0hr_2 SUBJECT_SAMPLE_FACTORS - BHI-R_24hr_3 Sample source:Culture | Species:Unspent media | Media:BHI-R | Timepoint:24 | Replicate:R3 RAW_FILE_NAME(C18-NEG)=B0267_XAV_BactReRun_CN-BHI-R_24hr_3; RAW_FILE_NAME(C8-POS)=B0267_XAV_BactReRun_CP-BHI-R_24hr_3; RAW_FILE_NAME(HILIC-POS)=B0267_XAV_BactReRun_HP-BHI-R_24hr_3 SUBJECT_SAMPLE_FACTORS - BHI-R_48hr_1 Sample source:Culture | Species:Unspent media | Media:BHI-R | Timepoint:48 | Replicate:R1 RAW_FILE_NAME(C18-NEG)=B0268_XAV_BactReRun_CN-BHI-R_48hr_1; RAW_FILE_NAME(C8-POS)=B0268_XAV_BactReRun_CP-BHI-R_48hr_1; RAW_FILE_NAME(HILIC-POS)=B0268_XAV_BactReRun_HP-BHI-R_48hr_1 #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 2mm, 3um) 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 ST003911_AN006421_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 FB_CHG_0hr_2 FB_CHG_0hr_3 FB_CHG_24hr_1 FB_CHG_6hr_1 FB_CHG_24hr_2 FB_CHG_6hr_3 FB_CHG_48hr_2 FB_CHG_6hr_2 FB_CHG_48hr_3 FB_CHG_24hr_3 FB_CHG_48hr_1 FB_CHG_0hr_1 Follow_up_CHG_24hr_1 Follow_up_CHG_48hr_3 Follow_up_CHG_24hr_3 Follow_up_CHG_48hr_2 Follow_up_CHG_0hr_3 Follow_up_CHG_6hr_3 Follow_up_CHG_6hr_1 Follow_up_CHG_24hr_2 Follow_up_CHG_48hr_1 Follow_up_CHG_0hr_2 Follow_up_CHG_0hr_1 Follow_up_CHG_6hr_2 EL_CHG-R_6hr_3 EL_CHG-R_24hr_1 EL_CHG-R_24hr_3 EL_CHG-R_0hr_1 EL_CHG-R_6hr_2 EL_CHG-R_48hr_1 EL_CHG-R_6hr_1 EL_CHG-R_48hr_3 EL_CHG-R_0hr_2 EL_CHG-R_48hr_2 EL_CHG-R_24hr_2 EL_CHG-R_0hr_3 CHG-R_6hr_3 CHG-R_24hr_2 CHG-R_0hr_3 CHG-R_6hr_1 CHG-R_0hr_1 CHG-R_24hr_1 CHG-R_0hr_2 CHG-R_48hr_2 CHG-R_24hr_3 CHG-R_48hr_3 CHG-R_48hr_1 CHG-R_6hr_2 FB_Gifu_0hr_1 FB_Gifu_6hr_2 FB_Gifu_48hr_3 FB_Gifu_0hr_3 FB_Gifu_6hr_1 FB_Gifu_24hr_2 FB_Gifu_24hr_3 FB_Gifu_48hr_1 FB_Gifu_24hr_1 FB_Gifu_6hr_3 FB_Gifu_48hr_2 FB_Gifu_0hr_2 Follow_upGifu-48hr_1 Follow_upGifu-48hr_3 Follow_upGifu-48hr_2 Follow_upGifu-24hr_2 Follow_upGifu-24hr_1 Follow_upGifu-6hr_2 Follow_upGifu-6hr_3 Follow_upGifu-24hr_3 Follow_upGifu-0hr_1 Follow_upGifu-0hr_3 Follow_upGifu-0hr_2 Follow_upGifu-6hr_1 EL_Gifu-R_0hr_2 EL_Gifu-R_24hr_3 EL_Gifu-R_0hr_1 EL_Gifu-R_48hr_2 EL_Gifu-R_0hr_3 EL_Gifu-R_6hr_3 EL_Gifu-R_6hr_2 EL_Gifu-R_24hr_2 EL_Gifu-R_48hr_1 EL_Gifu-R_6hr_1 EL_Gifu-R_48hr_3 EL_Gifu-R_24hr_1 Gifu-R_0hr_3 Gifu-R_24hr_3 Gifu-R_0hr_1 Gifu-R_0hr_2 Gifu-R_6hr_2 Gifu-R_6hr_3 Gifu-R_48hr_2 Gifu-R_6hr_1 Gifu-R_24hr_2 Gifu-R_48hr_1 Gifu-R_48hr_3 Gifu-R_24hr_1 FB_Mega_6hr_2 FB_Mega_24hr_2 FB_Mega_6hr_3 FB_Mega_48hr_1 FB_Mega_24hr_3 FB_Mega_0hr_1 FB_Mega_48hr_3 FB_Mega_6hr_1 FB_Mega_48hr_2 FB_Mega_24hr_1 FB_Mega_0hr_2 FB_Mega_0hr_3 Follow_upMega_0hr_2 Follow_upMega_6hr_1 Follow_upMega_0hr_3 Follow_upMega_24hr_2 Follow_upMega_48hr_3 Follow_upMega_6hr_3 Follow_upMega_24hr_1 Follow_upMega_48hr_1 Follow_upMega_6hr_2 Follow_upMega_24hr_3 Follow_upMega_0hr_1 Follow_upMega_48hr_2 EL_Mega-R_24hr_3 EL_Mega-R_24hr_1 EL_Mega-R_0hr_3 EL_Mega-R_6hr_1 EL_Mega-R_0hr_1 EL_Mega-R_6hr_3 EL_Mega-R_6hr_2 EL_Mega-R_48hr_3 EL_Mega-R_48hr_2 EL_Mega-R_0hr_2 EL_Mega-R_24hr_2 EL_Mega-R_48hr_1 Mega-R_6hr_1 Mega-R_48hr_3 Mega-R_48hr_1 Mega-R_0hr_1 Mega-R_24hr_2 Mega-R_0hr_2 Mega-R_6hr_3 Mega-R_24hr_1 Mega-R_24hr_3 Mega-R_48hr_2 Mega-R_0hr_3 Mega-R_6hr_2 EL_BHI-R_48hr_1 EL_BHI-R_24hr_2 EL_BHI-R_6hr_2 EL_BHI-R_24hr_1 EL_BHI-R_0hr_1 EL_BHI-R_48hr_2 EL_BHI-R_0hr_3 EL_BHI-R_24hr_3 EL_BHI-R_48hr_3 EL_BHI-R_6hr_1 EL_BHI-R_6hr_3 EL_BHI-R_0hr_2 BHI-R_6hr_2 BHI-R_0hr_1 BHI-R_24hr_2 BHI-R_48hr_3 BHI-R_6hr_3 BHI-R_6hr_1 BHI-R_0hr_3 BHI-R_24hr_1 BHI-R_48hr_2 BHI-R_0hr_2 BHI-R_24hr_3 BHI-R_48hr_1 Factors Sample source:Culture | Species:Fusobacterium nucleatum | Media:CHG | Timepoint:- | Replicate:R2 Sample source:Culture | Species:Fusobacterium nucleatum | Media:CHG | Timepoint:- | Replicate:R3 Sample source:Culture | Species:Fusobacterium nucleatum | Media:CHG | Timepoint:24 | Replicate:R1 Sample source:Culture | Species:Fusobacterium nucleatum | Media:CHG | Timepoint:6 | Replicate:R1 Sample source:Culture | Species:Fusobacterium nucleatum | Media:CHG | Timepoint:24 | Replicate:R2 Sample source:Culture | Species:Fusobacterium nucleatum | Media:CHG | Timepoint:6 | Replicate:R3 Sample source:Culture | Species:Fusobacterium nucleatum | Media:CHG | Timepoint:48 | Replicate:R2 Sample source:Culture | Species:Fusobacterium nucleatum | Media:CHG | Timepoint:6 | Replicate:R2 Sample source:Culture | Species:Fusobacterium nucleatum | Media:CHG | Timepoint:48 | Replicate:R3 Sample source:Culture | Species:Fusobacterium nucleatum | Media:CHG | Timepoint:24 | Replicate:R3 Sample source:Culture | Species:Fusobacterium nucleatum | Media:CHG | Timepoint:48 | Replicate:R1 Sample source:Culture | Species:Fusobacterium nucleatum | Media:CHG | Timepoint:- | Replicate:R1 Sample source:Culture | Species:Unspent media | Media:CHG | Timepoint:24 | Replicate:R1 Sample source:Culture | Species:Unspent media | Media:CHG | Timepoint:48 | Replicate:R3 Sample source:Culture | Species:Unspent media | Media:CHG | Timepoint:24 | Replicate:R3 Sample source:Culture | Species:Unspent media | Media:CHG | Timepoint:48 | Replicate:R2 Sample source:Culture | Species:Unspent media | Media:CHG | Timepoint:- | Replicate:R3 Sample source:Culture | Species:Unspent media | Media:CHG | Timepoint:6 | Replicate:R3 Sample source:Culture | Species:Unspent media | Media:CHG | Timepoint:6 | Replicate:R1 Sample source:Culture | Species:Unspent media | Media:CHG | Timepoint:24 | Replicate:R2 Sample source:Culture | Species:Unspent media | Media:CHG | Timepoint:48 | Replicate:R1 Sample source:Culture | Species:Unspent media | Media:CHG | Timepoint:- | Replicate:R2 Sample source:Culture | Species:Unspent media | Media:CHG | Timepoint:- | Replicate:R1 Sample source:Culture | Species:Unspent media | Media:CHG | Timepoint:6 | Replicate:R2 Sample source:Culture | Species:Eggerthella lenta | Media:CHG-R | Timepoint:6 | Replicate:R3 Sample source:Culture | Species:Eggerthella lenta | Media:CHG-R | Timepoint:24 | Replicate:R1 Sample source:Culture | Species:Eggerthella lenta | Media:CHG-R | Timepoint:24 | Replicate:R3 Sample source:Culture | Species:Eggerthella lenta | Media:CHG-R | Timepoint:- | Replicate:R1 Sample source:Culture | Species:Eggerthella lenta | Media:CHG-R | Timepoint:6 | Replicate:R2 Sample source:Culture | Species:Eggerthella lenta | Media:CHG-R | Timepoint:48 | Replicate:R1 Sample source:Culture | Species:Eggerthella lenta | Media:CHG-R | Timepoint:6 | Replicate:R1 Sample source:Culture | Species:Eggerthella lenta | Media:CHG-R | Timepoint:48 | Replicate:R3 Sample source:Culture | Species:Eggerthella lenta | Media:CHG-R | Timepoint:- | Replicate:R2 Sample source:Culture | Species:Eggerthella lenta | Media:CHG-R | Timepoint:48 | Replicate:R2 Sample source:Culture | Species:Eggerthella lenta | Media:CHG-R | Timepoint:24 | Replicate:R2 Sample source:Culture | Species:Eggerthella lenta | Media:CHG-R | Timepoint:- | Replicate:R3 Sample source:Culture | Species:Unspent media | Media:CHG-R | Timepoint:6 | Replicate:R3 Sample source:Culture | Species:Unspent media | Media:CHG-R | Timepoint:24 | Replicate:R2 Sample source:Culture | Species:Unspent media | Media:CHG-R | Timepoint:- | Replicate:R3 Sample source:Culture | Species:Unspent media | Media:CHG-R | Timepoint:6 | Replicate:R1 Sample source:Culture | Species:Unspent media | Media:CHG-R | Timepoint:- | Replicate:R1 Sample source:Culture | Species:Unspent media | Media:CHG-R | Timepoint:24 | Replicate:R1 Sample source:Culture | Species:Unspent media | Media:CHG-R | Timepoint:- | Replicate:R2 Sample source:Culture | Species:Unspent media | Media:CHG-R | Timepoint:48 | Replicate:R2 Sample source:Culture | Species:Unspent media | Media:CHG-R | Timepoint:24 | Replicate:R3 Sample source:Culture | Species:Unspent media | Media:CHG-R | Timepoint:48 | Replicate:R3 Sample source:Culture | Species:Unspent media | Media:CHG-R | Timepoint:48 | Replicate:R1 Sample source:Culture | Species:Unspent media | Media:CHG-R | Timepoint:6 | Replicate:R2 Sample source:Culture | Species:Fusobacterium nucleatum | Media:Gifu | Timepoint:- | Replicate:R1 Sample source:Culture | Species:Fusobacterium nucleatum | Media:Gifu | Timepoint:6 | Replicate:R2 Sample source:Culture | Species:Fusobacterium nucleatum | Media:Gifu | Timepoint:48 | Replicate:R3 Sample source:Culture | Species:Fusobacterium nucleatum | Media:Gifu | Timepoint:- | Replicate:R3 Sample source:Culture | Species:Fusobacterium nucleatum | Media:Gifu | Timepoint:6 | Replicate:R1 Sample source:Culture | Species:Fusobacterium nucleatum | Media:Gifu | Timepoint:24 | Replicate:R2 Sample source:Culture | Species:Fusobacterium nucleatum | Media:Gifu | Timepoint:24 | Replicate:R3 Sample source:Culture | Species:Fusobacterium nucleatum | Media:Gifu | Timepoint:48 | Replicate:R1 Sample source:Culture | Species:Fusobacterium nucleatum | Media:Gifu | Timepoint:24 | Replicate:R1 Sample source:Culture | Species:Fusobacterium nucleatum | Media:Gifu | Timepoint:6 | Replicate:R3 Sample source:Culture | Species:Fusobacterium nucleatum | Media:Gifu | Timepoint:48 | Replicate:R2 Sample source:Culture | Species:Fusobacterium nucleatum | Media:Gifu | Timepoint:- | Replicate:R2 Sample source:Culture | Species:Unspent media | Media:Gifu | Timepoint:48 | Replicate:R1 Sample source:Culture | Species:Unspent media | Media:Gifu | Timepoint:48 | Replicate:R3 Sample source:Culture | Species:Unspent media | Media:Gifu | Timepoint:48 | Replicate:R2 Sample source:Culture | Species:Unspent media | Media:Gifu | Timepoint:24 | Replicate:R2 Sample source:Culture | Species:Unspent media | Media:Gifu | Timepoint:24 | Replicate:R1 Sample source:Culture | Species:Unspent media | Media:Gifu | Timepoint:6 | Replicate:R2 Sample source:Culture | Species:Unspent media | Media:Gifu | Timepoint:6 | Replicate:R3 Sample source:Culture | Species:Unspent media | Media:Gifu | Timepoint:24 | Replicate:R3 Sample source:Culture | Species:Unspent media | Media:Gifu | Timepoint:- | Replicate:R1 Sample source:Culture | Species:Unspent media | Media:Gifu | Timepoint:- | Replicate:R3 Sample source:Culture | Species:Unspent media | Media:Gifu | Timepoint:- | Replicate:R2 Sample source:Culture | Species:Unspent media | Media:Gifu | Timepoint:6 | Replicate:R1 Sample source:Culture | Species:Eggerthella lenta | Media:Gifu-R | Timepoint:- | Replicate:R2 Sample source:Culture | Species:Eggerthella lenta | Media:Gifu-R | Timepoint:24 | Replicate:R3 Sample source:Culture | Species:Eggerthella lenta | Media:Gifu-R | Timepoint:- | Replicate:R1 Sample source:Culture | Species:Eggerthella lenta | Media:Gifu-R | Timepoint:48 | Replicate:R2 Sample source:Culture | Species:Eggerthella lenta | Media:Gifu-R | Timepoint:- | Replicate:R3 Sample source:Culture | Species:Eggerthella lenta | Media:Gifu-R | Timepoint:6 | Replicate:R3 Sample source:Culture | Species:Eggerthella lenta | Media:Gifu-R | Timepoint:6 | Replicate:R2 Sample source:Culture | Species:Eggerthella lenta | Media:Gifu-R | Timepoint:24 | Replicate:R2 Sample source:Culture | Species:Eggerthella lenta | Media:Gifu-R | Timepoint:48 | Replicate:R1 Sample source:Culture | Species:Eggerthella lenta | Media:Gifu-R | Timepoint:6 | Replicate:R1 Sample source:Culture | Species:Eggerthella lenta | Media:Gifu-R | Timepoint:48 | Replicate:R3 Sample source:Culture | Species:Eggerthella lenta | Media:Gifu-R | Timepoint:24 | Replicate:R1 Sample source:Culture | Species:Unspent media | Media:Gifu-R | Timepoint:- | Replicate:R3 Sample source:Culture | Species:Unspent media | Media:Gifu-R | Timepoint:24 | Replicate:R3 Sample source:Culture | Species:Unspent media | Media:Gifu-R | Timepoint:- | Replicate:R1 Sample source:Culture | Species:Unspent media | Media:Gifu-R | Timepoint:- | Replicate:R2 Sample source:Culture | Species:Unspent media | Media:Gifu-R | Timepoint:6 | Replicate:R2 Sample source:Culture | Species:Unspent media | Media:Gifu-R | Timepoint:6 | Replicate:R3 Sample source:Culture | Species:Unspent media | Media:Gifu-R | Timepoint:48 | Replicate:R2 Sample source:Culture | Species:Unspent media | Media:Gifu-R | Timepoint:6 | Replicate:R1 Sample source:Culture | Species:Unspent media | Media:Gifu-R | Timepoint:24 | Replicate:R2 Sample source:Culture | Species:Unspent media | Media:Gifu-R | Timepoint:48 | Replicate:R1 Sample source:Culture | Species:Unspent media | Media:Gifu-R | Timepoint:48 | Replicate:R3 Sample source:Culture | Species:Unspent media | Media:Gifu-R | Timepoint:24 | Replicate:R1 Sample source:Culture | Species:Fusobacterium nucleatum | Media:Mega | Timepoint:6 | Replicate:R2 Sample source:Culture | Species:Fusobacterium nucleatum | Media:Mega | Timepoint:24 | Replicate:R2 Sample source:Culture | Species:Fusobacterium nucleatum | Media:Mega | Timepoint:6 | Replicate:R3 Sample source:Culture | Species:Fusobacterium nucleatum | Media:Mega | Timepoint:48 | Replicate:R1 Sample source:Culture | Species:Fusobacterium nucleatum | Media:Mega | Timepoint:24 | Replicate:R3 Sample source:Culture | Species:Fusobacterium nucleatum | Media:Mega | Timepoint:- | Replicate:R1 Sample source:Culture | Species:Fusobacterium nucleatum | Media:Mega | Timepoint:48 | Replicate:R3 Sample source:Culture | Species:Fusobacterium nucleatum | Media:Mega | Timepoint:6 | Replicate:R1 Sample source:Culture | Species:Fusobacterium nucleatum | Media:Mega | Timepoint:48 | Replicate:R2 Sample source:Culture | Species:Fusobacterium nucleatum | Media:Mega | Timepoint:24 | Replicate:R1 Sample source:Culture | Species:Fusobacterium nucleatum | Media:Mega | Timepoint:- | Replicate:R2 Sample source:Culture | Species:Fusobacterium nucleatum | Media:Mega | Timepoint:- | Replicate:R3 Sample source:Culture | Species:Unspent media | Media:Mega | Timepoint:- | Replicate:R2 Sample source:Culture | Species:Unspent media | Media:Mega | Timepoint:6 | Replicate:R1 Sample source:Culture | Species:Unspent media | Media:Mega | Timepoint:- | Replicate:R3 Sample source:Culture | Species:Unspent media | Media:Mega | Timepoint:24 | Replicate:R2 Sample source:Culture | Species:Unspent media | Media:Mega | Timepoint:48 | Replicate:R3 Sample source:Culture | Species:Unspent media | Media:Mega | Timepoint:6 | Replicate:R3 Sample source:Culture | Species:Unspent media | Media:Mega | Timepoint:24 | Replicate:R1 Sample source:Culture | Species:Unspent media | Media:Mega | Timepoint:48 | Replicate:R1 Sample source:Culture | Species:Unspent media | Media:Mega | Timepoint:6 | Replicate:R2 Sample source:Culture | Species:Unspent media | Media:Mega | Timepoint:24 | Replicate:R3 Sample source:Culture | Species:Unspent media | Media:Mega | Timepoint:- | Replicate:R1 Sample source:Culture | Species:Unspent media | Media:Mega | Timepoint:48 | Replicate:R2 Sample source:Culture | Species:Eggerthella lenta | Media:Mega-R | Timepoint:24 | Replicate:R3 Sample source:Culture | Species:Eggerthella lenta | Media:Mega-R | Timepoint:24 | Replicate:R1 Sample source:Culture | Species:Eggerthella lenta | Media:Mega-R | Timepoint:- | Replicate:R3 Sample source:Culture | Species:Eggerthella lenta | Media:Mega-R | Timepoint:6 | Replicate:R1 Sample source:Culture | Species:Eggerthella lenta | Media:Mega-R | Timepoint:- | Replicate:R1 Sample source:Culture | Species:Eggerthella lenta | Media:Mega-R | Timepoint:6 | Replicate:R3 Sample source:Culture | Species:Eggerthella lenta | Media:Mega-R | Timepoint:6 | Replicate:R2 Sample source:Culture | Species:Eggerthella lenta | Media:Mega-R | Timepoint:48 | Replicate:R3 Sample source:Culture | Species:Eggerthella lenta | Media:Mega-R | Timepoint:48 | Replicate:R2 Sample source:Culture | Species:Eggerthella lenta | Media:Mega-R | Timepoint:- | Replicate:R2 Sample source:Culture | Species:Eggerthella lenta | Media:Mega-R | Timepoint:24 | Replicate:R2 Sample source:Culture | Species:Eggerthella lenta | Media:Mega-R | Timepoint:48 | Replicate:R1 Sample source:Culture | Species:Unspent media | Media:Mega-R | Timepoint:6 | Replicate:R1 Sample source:Culture | Species:Unspent media | Media:Mega-R | Timepoint:48 | Replicate:R3 Sample source:Culture | Species:Unspent media | Media:Mega-R | Timepoint:48 | Replicate:R1 Sample source:Culture | Species:Unspent media | Media:Mega-R | Timepoint:- | Replicate:R1 Sample source:Culture | Species:Unspent media | Media:Mega-R | Timepoint:24 | Replicate:R2 Sample source:Culture | Species:Unspent media | Media:Mega-R | Timepoint:- | Replicate:R2 Sample source:Culture | Species:Unspent media | Media:Mega-R | Timepoint:6 | Replicate:R3 Sample source:Culture | Species:Unspent media | Media:Mega-R | Timepoint:24 | Replicate:R1 Sample source:Culture | Species:Unspent media | Media:Mega-R | Timepoint:24 | Replicate:R3 Sample source:Culture | Species:Unspent media | Media:Mega-R | Timepoint:48 | Replicate:R2 Sample source:Culture | Species:Unspent media | Media:Mega-R | Timepoint:- | Replicate:R3 Sample source:Culture | Species:Unspent media | Media:Mega-R | Timepoint:6 | Replicate:R2 Sample source:Culture | Species:Eggerthella lenta | Media:BHI-R | Timepoint:48 | Replicate:R1 Sample source:Culture | Species:Eggerthella lenta | Media:BHI-R | Timepoint:24 | Replicate:R2 Sample source:Culture | Species:Eggerthella lenta | Media:BHI-R | Timepoint:6 | Replicate:R2 Sample source:Culture | Species:Eggerthella lenta | Media:BHI-R | Timepoint:24 | Replicate:R1 Sample source:Culture | Species:Eggerthella lenta | Media:BHI-R | Timepoint:- | Replicate:R1 Sample source:Culture | Species:Eggerthella lenta | Media:BHI-R | Timepoint:48 | Replicate:R2 Sample source:Culture | Species:Eggerthella lenta | Media:BHI-R | Timepoint:- | Replicate:R3 Sample source:Culture | Species:Eggerthella lenta | Media:BHI-R | Timepoint:24 | Replicate:R3 Sample source:Culture | Species:Eggerthella lenta | Media:BHI-R | Timepoint:48 | Replicate:R3 Sample source:Culture | Species:Eggerthella lenta | Media:BHI-R | Timepoint:6 | Replicate:R1 Sample source:Culture | Species:Eggerthella lenta | Media:BHI-R | Timepoint:6 | Replicate:R3 Sample source:Culture | Species:Eggerthella lenta | Media:BHI-R | Timepoint:- | Replicate:R2 Sample source:Culture | Species:Unspent media | Media:BHI-R | Timepoint:6 | Replicate:R2 Sample source:Culture | Species:Unspent media | Media:BHI-R | Timepoint:- | Replicate:R1 Sample source:Culture | Species:Unspent media | Media:BHI-R | Timepoint:24 | Replicate:R2 Sample source:Culture | Species:Unspent media | Media:BHI-R | Timepoint:48 | Replicate:R3 Sample source:Culture | Species:Unspent media | Media:BHI-R | Timepoint:6 | Replicate:R3 Sample source:Culture | Species:Unspent media | Media:BHI-R | Timepoint:6 | Replicate:R1 Sample source:Culture | Species:Unspent media | Media:BHI-R | Timepoint:- | Replicate:R3 Sample source:Culture | Species:Unspent media | Media:BHI-R | Timepoint:24 | Replicate:R1 Sample source:Culture | Species:Unspent media | Media:BHI-R | Timepoint:48 | Replicate:R2 Sample source:Culture | Species:Unspent media | Media:BHI-R | Timepoint:- | Replicate:R2 Sample source:Culture | Species:Unspent media | Media:BHI-R | Timepoint:24 | Replicate:R3 Sample source:Culture | Species:Unspent media | Media:BHI-R | Timepoint:48 | Replicate:R1 Valine-d8 [iSTD] 7459421 7467470 7619144 7661891 7671023 7585957 8037608 7739304 7676816 7753452 7450039 7482146 7124977 7351420 7481336 6921475 7689119 7030859 7380449 7052724 7139886 7106165 6864300 7182988 10793278 10511867 10699800 10749063 10471192 10049219 10696296 10164613 10184003 10272945 10452276 10045320 10824260 10833227 10592698 7882570 11004991 10711157 11135894 10864904 10838036 11069180 11024761 10886615 6947234 6694247 7350968 7173738 7192770 6835943 6717960 6823747 6962654 7240854 6267186 6942137 6817475 7018794 6621952 7070628 7021039 6951818 7263766 6598686 6871175 6572755 6779969 6665915 7601751 7225348 7731005 7093158 7351514 7056584 7241441 7104309 7160030 7360156 7246438 7431920 7229884 6815653 6779343 7054978 6923631 6623595 6991121 6848574 6435479 6472165 6709287 6797057 11204864 11084157 11153831 11572216 10893736 11196188 11287185 10826561 11267097 11312393 11122705 10914478 10846448 11343567 11385882 11710925 11315930 11284792 11496371 11918589 11776478 11490141 11696722 10970306 11346305 10671539 11001748 11422244 10352327 11398263 10985939 11688306 10761754 10420183 10969677 10993779 11327126 10983413 11059146 11091582 11109221 11185304 10996508 11243806 11321354 11052051 11447959 10623951 10353730 10251927 10693584 10879367 10231267 9933109 10030948 10526819 10723272 11039860 11016730 10724421 11055746 10761583 11356199 10200321 10553374 10483547 11086796 10504114 10493754 10667924 10687848 10031969 Phenylalanine-d8 [iSTD] 28185297 27880544 25729329 27332392 26010191 26831745 26700650 27138121 25244548 25926394 25829874 26254209 26629753 27326313 25790862 25645166 26395206 26514949 25499358 25501683 25846281 26522985 27024799 26566932 36381981 37311050 37634834 36880639 36214206 35981838 38093510 35516960 38031356 36563613 36318122 36187183 37650910 36964184 37211457 30502856 37674781 37398703 37240327 38207829 38053726 37973020 37118492 38002591 26384485 25384482 25736532 25232314 25900657 27201136 25782627 25843146 26884293 25649835 24608621 26491626 26608595 25127562 25150777 26392858 25426701 26241398 27638943 26196518 25650056 25586985 26278283 26325488 28017703 27625900 27111445 25870642 25694116 26271580 25992543 27017510 27471035 26128389 27147255 27901390 26200156 25323514 24863623 25300849 24695255 25513989 24617474 25238915 24660707 25147094 25013518 23837040 29267800 27488483 29298402 29085002 27767101 30462049 29535389 29524143 28831031 28229444 29754078 29508122 29380216 29408825 30748525 31050376 30089565 29365052 30343339 31048132 30455083 30789500 31191090 29153060 30482087 30045727 30620141 31174411 28423687 30509828 29797992 32824110 30608646 28663654 31523087 32469858 27927043 28659799 28041807 27794532 28080105 26674997 27836492 28960269 28750754 27821557 27666822 29069116 37278064 37908775 37202066 38387888 37105274 37463668 37526273 36872200 38899488 38467217 37850797 38049425 36833062 38114184 39163008 38590677 37734798 38660916 37981846 38117444 39164322 37367552 38534730 37241005 Harman 192408 193646 173589 186623 174677 189097 171375 193488 183960 176169 175539 187697 190868 192926 199107 207546 189915 195279 202664 205921 202575 199860 213432 211953 184980 175835 176088 185080 183968 190664 190735 188118 183276 177571 173375 189104 186841 188759 182754 248640 187019 194541 190554 185280 190135 192486 192368 195045 65824 67697 66490 64954 66386 64512 67831 66500 64912 66738 72967 63016 64775 67731 67164 64536 61820 62690 62654 65810 61785 64118 67114 66574 67460 65698 63510 61396 62626 62336 65542 66345 58891 63437 60850 62010 53411 53786 52763 51929 54977 54627 54418 56581 57951 57430 54466 54176 48742 45302 48688 50214 49608 50559 50120 49897 50253 51115 47736 50512 46743 47499 49060 46399 50028 48000 47217 48041 46237 45938 45124 50507 59671 58665 57746 55132 65623 57804 58566 61171 63710 60288 60359 59853 48709 51474 53153 47364 49365 47726 48817 48615 49964 51050 49170 49313 165457 158501 161531 162145 167414 166024 166829 164087 158193 157567 161643 162837 157841 167587 159843 164142 164282 163393 160982 160654 164236 158739 170355 166839 Phenethylamine 406811 418785 425649 409138 414732 427248 412566 427113 435438 406894 425305 423912 403908 402534 414569 419303 414330 417881 432591 422144 431210 434140 428609 419143 323178 312558 316645 323282 317437 322652 323500 322510 316650 304977 304931 325012 315312 315227 303089 397148 310396 318520 314762 305030 318853 319320 313359 320073 148099 141531 153919 145058 147144 139588 154618 155188 149025 149435 162255 140422 125583 129046 127946 124725 124204 123189 123660 126825 124307 121849 127207 125147 251152 246699 240171 247387 234215 241852 237770 241007 239680 242203 253437 235172 228228 221567 230544 221435 225381 232146 231724 232860 241563 242995 231211 236402 293019 293529 298696 291098 290157 282966 288274 291644 279708 292384 290482 297386 285705 274421 272288 270114 273486 265057 269476 261661 270057 256974 263713 266925 123047 121126 117266 111336 114256 113207 121684 127639 129474 131206 120617 126457 86603 83997 82765 82354 87808 83502 83868 84843 83979 87011 84144 84466 333630 339481 332761 342956 338107 341645 346789 337574 326902 326078 344755 330399 328987 356262 324762 340279 326747 329588 316412 321189 352046 317671 337568 337925 Hippuric acid 1946 1853 793 1558 1186 1724 903 1320 842 1180 963 1581 1397 1061 1526 1006 1549 1395 1494 1313 970 1457 1860 1700 452 594 551 456 518 570 632 620 559 513 491 690 525 558 478 679 523 556 535 501 570 429 495 454 3185 2076 2106 2884 2636 2835 2777 2496 2647 2861 3143 2972 2974 2791 2977 2975 3401 2495 3061 3398 3222 3163 3126 3171 6575 5035 5535 5386 4358 5337 5852 5594 5686 5943 6757 5239 9249 7475 8279 7904 7072 8022 7794 7234 8397 7751 7036 8260 4259 2187 5623 1297 2034 4095 1077 4803 1157 1727 5484 4350 4791 4025 4649 4739 4341 4350 4597 3969 4156 3683 4038 5435 2381 2629 3019 3103 4497 4349 2641 3393 2657 3727 2188 3752 2048 2783 2525 3021 3000 2703 2742 2076 1797 3026 1829 2525 989 783 694 816 615 659 802 506 652 699 902 815 595 695 803 694 942 534 759 668 973 1220 828 1169 Tyramine 1068812 1060177 1043306 1044168 1064427 1068957 1044611 1060161 1089214 1049975 1051239 1059180 1029734 1030669 1075855 1122705 1053623 1061824 1081768 1087306 1093413 1091730 1101164 1086214 1101914 1076448 1061099 1093629 1083191 1066452 1108628 1080201 1054739 1044138 1043267 1085311 1047220 1050433 1027762 1373500 1045928 1083997 1072722 1071853 1107803 1092648 1099223 1122171 321288 319064 330458 319644 318917 306614 327505 327081 319210 323224 346955 305273 272846 287542 289700 282253 284036 279642 271099 288889 286137 286311 291151 281225 250921 246299 242115 251328 241250 237604 253605 259967 244199 244358 254393 239192 96136 95849 96602 97422 97680 98766 96752 99762 101723 103152 97988 101259 931211 949769 923132 936031 940544 909994 935789 901230 897566 909972 895735 910391 910117 873529 903396 869793 883704 855443 884777 861440 880128 844384 852023 906418 489147 488029 469927 462173 490477 464163 486560 499564 518735 539046 501376 503305 411912 407762 394974 405571 412670 408365 397257 402072 399535 411398 403527 408727 1057090 1050427 1058266 1080649 1072650 1086419 1060204 1066312 1033432 997274 1057524 1038031 1049431 1075524 1023141 1031269 1026715 1025959 1013712 1010932 1053255 999452 1043475 1019439 Hordenine 597 432 540 622 629 415 631 335 744 568 868 569 375 524 356 314 159 568 431 621 1970 579 439 453 291 436 1002 387 398 379 211 322 472 1028 233 558 516 650 436 310 261 349 394 448 397 297 184 341 1042 1218 1390 1643 1050 1177 1507 1534 1211 1031 1544 980 1160 1700 957 1511 977 1316 1089 1662 1637 1307 720 1198 1895 2201 2036 2054 1648 2262 1881 2443 2063 2064 2251 2214 2366 2417 2394 2246 2125 1939 2166 1760 2420 1895 2064 2083 66 126 305 159 163 55 336 82 641 84 84 103 229 175 1018 685 478 373 250 1383 765 928 861 416 676 792 91 888 362 252 700 784 276 415 370 210 250 317 419 488 713 454 286 525 362 303 724 464 461 366 1352 609 419 1091 458 381 327 573 278 526 348 693 3-Hydroxyanthranilic acid 1353 1177 1039 1154 1748 1113 1415 957 1571 1377 1276 1126 1179 1251 1125 1401 1103 968 1133 1086 1046 1113 1232 1117 414 513 432 549 563 615 566 464 720 542 1101 517 576 458 563 431 499 515 470 567 595 354 695 435 1808 1637 1749 1478 1416 1869 1859 1288 1213 1544 2085 1491 1669 1811 1840 1454 1546 1457 1744 2580 1514 1888 1509 1572 2618 2532 2478 2732 2456 2557 2701 2737 3036 3194 2995 2134 2861 3379 2950 2867 3280 3384 3310 3293 4131 3026 2538 3353 2079 2375 2163 1755 2082 2161 2163 1831 1877 2264 2150 2514 2035 2346 2249 2317 2231 2204 2138 2195 2058 2040 2469 2187 1581 1961 2056 1728 1634 1804 2177 1951 2058 2372 1657 1891 1903 2542 2633 2539 2599 2886 2160 2213 2737 2514 2406 2240 1775 671 1000 605 832 135 841 883 513 300 857 640 1381 999 1019 1331 1018 620 1053 1254 775 633 970 1049 3-Methoxyanthranilic acid 7283 7087 6270 7235 6573 7148 6432 6241 6842 6896 6243 7244 7187 7362 7144 7382 6936 6417 7245 7438 7208 7178 7592 7373 2322 2070 2004 1974 2085 2027 2263 2040 2104 1766 2123 2610 2374 2229 2115 3572 2508 2424 2433 2233 2374 2347 2350 2389 12683 13171 12268 12497 12377 11858 13083 12268 12106 12452 13653 12145 12698 13195 13147 12890 11531 12729 12652 13491 12585 13141 13099 12766 18030 17072 17376 15810 16318 16952 17224 16740 14920 17729 16322 15321 20754 19519 20392 20445 20454 21552 20137 21743 22248 20672 19359 21571 6343 6530 7105 5943 6259 6412 5674 6133 5498 6162 6609 6518 6725 6345 6371 6334 6281 6204 6180 6057 6197 5609 6214 6610 3628 4111 3691 3761 3859 3707 4278 3502 3889 3938 3753 3897 4255 4455 4396 4384 4317 4460 4327 4091 4136 4512 4236 4459 1902 2069 2222 2318 2259 1575 2303 2328 1531 2047 2250 2355 1903 2356 2337 2104 2311 2271 2341 2205 2155 2164 2376 2305 3-Methoxytyramine 10086 10060 10293 9685 10038 10155 9654 9541 10698 9753 9475 9481 10096 9611 8944 9538 10372 9608 10602 10184 10010 10623 9057 9907 1529 1297 1174 1369 1289 1463 1371 1371 1346 1413 1333 1071 1317 1456 1222 1486 1324 1367 1223 1339 1052 1209 1212 1186 3208 3534 3788 3307 3493 3368 3592 3339 3477 3690 3611 3289 3438 3711 3419 3618 3380 3240 3209 3223 3005 3584 3295 3254 7202 6696 7383 6437 6991 6839 7132 6707 6893 7385 7518 7122 8630 8225 8162 8286 8174 8412 8238 8210 8727 8665 8542 8873 2389 2195 2060 1800 1648 1993 1735 1684 1577 1929 2127 2182 1830 1458 1944 1306 1774 2062 2513 2352 1497 2157 1880 1747 2609 2751 1833 2265 2530 2423 2139 3598 3042 2744 2454 2900 3265 3015 2155 2559 3134 2566 2566 2921 2024 2283 2501 2631 1322 1358 1416 1587 1529 1371 1339 1282 1222 1266 1228 1407 1424 1609 1328 1364 1347 1190 1448 1332 1520 1285 1293 1265 Maltose 755045 632352 760590 860605 876655 809203 796175 794897 832666 840183 901232 838588 651897 721132 759381 742160 680683 656047 739261 758906 701866 695399 785767 781945 2372820 2330726 2090592 2460212 2303536 2156763 2384898 2049928 2260307 1939722 2015334 2291248 2343564 2278575 2393529 3445632 2310827 2361508 2444768 2248102 2291731 2404637 2335205 2473257 423099 393323 439455 379420 396282 348442 392204 409947 374130 403222 404449 385475 328875 327478 311710 306195 263159 302068 265521 355564 323163 319724 306085 286571 451070 390891 425187 359031 377827 375186 358410 388055 318446 401643 350278 402916 161786 233278 159493 161970 177612 178459 214887 215250 198322 182467 485226 287750 465428 691734 679523 611567 583089 540739 661672 593584 596017 544970 630182 491226 502197 508048 472209 428984 330304 520378 537785 555243 433657 542732 428766 600010 2919727 2853154 2750636 2812123 2802386 2785882 2901585 2876212 2810122 3120936 2926413 2860578 3344788 3393781 3031014 3440039 3465850 3303910 3198629 3647682 3119304 3568996 3023475 3527543 1845046 1988608 2132718 1980873 2099535 1886123 2122015 1966800 1873030 2032291 2098488 2079907 1903191 2070421 1861113 1958853 2040304 2054921 1900977 1965755 1674161 1875310 1983663 1885726 Sucrose 323076 332947 323598 324810 341138 335137 341197 323457 356195 332231 346815 332317 311542 314653 319210 323842 318172 312141 323646 332832 332023 325279 318091 323467 260417 247696 241176 265748 259454 239462 260302 229496 257031 225068 232821 269344 287050 288120 290196 412062 291584 295118 298772 290082 300332 301080 292627 313478 22920 15425 25284 20097 19554 18006 24389 24968 22201 20231 22676 14903 4128 3959 4004 4576 3760 4508 3726 4958 4311 4123 3787 3206 8244 6927 8186 7081 6738 6700 6483 7388 6802 7916 7045 8263 2850 3859 3393 4013 3566 3294 3644 3954 3600 2866 9459 5408 326272 360088 332108 324225 335813 318370 341430 326427 334726 327525 311731 325407 312456 307068 303779 291344 305564 304539 302957 287717 296100 276023 295994 310487 141398 142068 137379 142780 153385 136164 150920 138116 143538 160983 143614 145658 185387 179153 167233 176552 176714 179116 171714 184294 161724 190146 163715 176679 34879 35970 38702 37530 37838 34912 38526 36606 33831 37590 38328 37861 35632 37492 33611 35867 37274 38353 35220 36551 37989 35423 37219 35878 Lactose 56570 61374 52811 53623 55357 53673 55161 52438 54306 54469 53436 52812 51916 54509 56162 55724 54345 55809 60780 61420 60701 61636 61590 62882 9097 8670 7409 10374 9989 7686 9205 7400 10129 7719 8216 11690 11830 12876 12859 17750 12519 12617 12702 12752 11883 12388 12309 12582 426 295 560 375 693 877 411 380 377 812 723 102 184 296 259 366 150 133 473 399 319 486 430 460 227 400 263 472 112 408 185 687 375 70 175 81 246 72 5804 7828 6170 5565 6594 5983 6563 5130 7827 7514 6435 6787 6110 6286 6342 6563 5747 6223 6195 5810 6211 5933 5078 6961 1016 1612 2694 1318 1046 2376 2774 857 1331 1474 909 806 1591 1520 1455 2319 1763 1336 2027 2715 1960 1372 1566 1891 4178 4877 5855 5052 5634 4291 6439 5156 3781 5554 6187 5867 6531 6736 5646 5786 6078 6329 5790 5685 5806 6434 6278 6426 N-Acetylgalactosamine 7294 8153 349 3628 1255 4955 1319 4857 1257 1552 840 6292 6618 6688 6875 6850 6664 7255 7276 6668 6720 6871 6737 6839 7460 7626 9544 5541 7003 10692 7442 12814 5928 11382 9271 6873 5840 5454 5066 7056 5023 5798 5536 5776 5948 5888 6165 6392 8036 2801 220 8366 1461 558 418 379 607 1816 290 9094 9035 9480 9640 9505 9063 9339 9511 8804 8882 8995 9831 9245 7406 10659 7156 11891 7258 8140 7685 10224 9957 7277 12934 8813 7009 6716 7196 7270 6931 7466 7396 7163 7186 7841 7241 8404 97 1725 50 48 1621 2258 1714 1575 1965 1846 1849 1901 2579 1794 2285 2302 2441 2335 6494 5268 2880 2479 2487 2640 2403 8058 7747 2683 5488 6229 1987 2210 2050 1698 1716 2172 1816 1893 1563 1599 2293 2042 10807 10264 7518 10439 6251 13160 7733 12396 13986 8540 8309 7253 6582 6774 5386 7285 5790 7308 5949 6526 5726 5506 6447 5441 Glucosamine 4620 4356 4786 4098 4728 4341 5990 4222 5219 4917 5183 4847 4409 3938 4804 4245 4504 4365 4089 4423 4520 4051 3962 4821 4162 5301 4651 3351 3692 9777 3423 8506 3152 8639 4429 3286 2958 3249 3187 4396 3209 3414 3018 3327 3108 3493 3692 2996 3226 2565 3473 2366 2023 2491 2720 2790 2826 2928 3043 2903 2418 2693 2152 2508 2854 2579 1948 2588 2164 2375 2913 2267 3445 2617 3324 3459 2930 2741 2475 2373 2801 2992 4110 3601 3031 3032 2318 2654 2649 2622 3192 2962 2838 2234 3295 2397 287 350 261 347 204 186 267 211 475 139 461 161 128 134 117 60 209 148 369 155 141 209 145 157 158 76 80 82 173 70 104 243 87 95 110 121 104 6261 4216 3060 3438 3600 5906 3541 3672 5536 3456 3007 3125 3532 2814 2705 3284 3128 3233 3131 3141 2837 3246 2575 2421 Hexose 104494 90245 67701 80963 66263 92854 27338 85974 40313 74684 23533 92117 81835 75472 95282 99469 108175 86665 95492 103775 83774 92922 85758 107535 122351 130170 130222 127185 131880 143497 124798 131902 167761 130938 106853 132824 146677 135522 141885 113035 175670 148211 159026 122125 131467 134652 147833 121376 31363 30794 22017 32659 28981 23126 21813 23339 22992 32529 22701 36367 32702 36902 32144 34600 29423 32304 31192 30394 31651 35498 29371 30642 32213 23387 30110 21568 30286 24439 28073 21796 26476 27658 21314 23289 20635 25062 26841 28211 29423 31096 29486 27223 27850 32433 33985 31227 43292 37955 38181 37011 37368 41096 37697 37595 50298 39531 38375 35461 38155 36729 37204 40336 38913 42875 41430 43871 43167 46069 43361 40696 35134 38540 49610 44143 37231 37714 36470 30114 37280 44413 30596 48797 34557 26155 23635 37909 30026 37760 28180 27524 30856 28894 36735 26763 101095 117936 114226 107806 127114 99762 101834 98218 110853 114960 115377 101892 79798 108125 95898 106129 77658 81503 109431 92155 80704 92054 87116 92143 N,N,N-trimethyl-5-aminovalerate 27718 29211 17761 18626 19337 18233 18558 19804 17448 17708 17615 26715 29375 28382 29771 29153 29370 29380 28556 29367 29265 29684 28263 29374 10310 9940 10232 10060 9805 8475 10249 8002 9945 7263 9509 9932 9903 9278 9776 9205 9180 10089 9244 9726 9580 9828 10135 10136 70947 58013 55443 72254 56838 55632 56510 56041 54289 55893 56852 74307 76207 76750 76615 74765 75833 75628 74751 77393 75342 77501 77532 77178 55298 59600 54532 57547 53752 58371 56611 58436 55090 54919 56535 56702 60889 58695 60031 60213 59843 63605 59368 62288 63633 59879 58933 59500 47496 40430 44609 41380 41098 60370 40766 44378 42188 41729 61744 63816 65897 66045 65908 66450 65785 66037 65864 66196 65305 65679 65631 67852 60407 60024 56463 57364 57019 57606 57717 59474 57703 59204 57551 61845 67469 66434 68004 65538 66274 67146 65954 65408 65377 65236 63054 64105 9859 10353 10813 9625 10938 9164 10794 10107 9635 10075 10962 10000 10421 10169 9936 10014 9947 9950 9683 9898 11741 10019 10983 10473 gamma-Aminobutyric acid 168640745 109208651 160825061 164232057 165722062 167158751 164751175 167212466 169486311 162635434 167268620 162621483 161512854 161041973 164913574 168138843 162376029 163395823 165636734 163994740 163306335 162275820 165234314 165682414 32106018 29900018 29449548 31851500 31252038 28950565 32151895 28738191 30195654 27344895 28875103 31204595 28012469 28364641 27753259 44334427 28073153 29425422 28404996 27772545 27496734 27425953 26574406 27778386 85295077 84341473 80156750 83491678 83797786 81360069 83210025 80757843 81127425 82451461 83903155 83883819 85556121 86477405 85148857 84427884 83908487 84346022 84262446 84286560 86697264 86088685 88975148 88836772 46201252 45530647 46501437 45067950 45165346 46240978 46833343 45669349 44112215 46668758 45838320 49195713 45532979 45142903 50088832 50065066 50468842 50002293 50195749 49023312 48865951 54115670 52759661 53039345 26316166 32179933 27477970 28259871 29568987 28035747 29615973 25146575 27103901 30936276 27770246 28298611 29953728 28293566 29983634 28121352 30320557 29990048 29330377 29663762 27427350 29640985 28889202 28980227 17701640 18498973 16644915 17735455 18717596 17478775 18236794 18648372 19046744 18973473 18975652 18927772 19466632 19188056 18835334 21307518 19407724 19959805 18928629 18958410 18774769 21991600 19035905 20111115 28208345 29347292 29005360 28618990 28919889 28205116 28883750 28540455 27098341 27408296 28433234 27307704 27582913 28189388 27122207 27160688 27492338 26900036 25640670 26425072 25836477 25274144 25870263 25276479 Aminoisobutyric acid 13674204 68971283 35708039 13391429 33825281 12938401 38513927 12848219 37280890 30109990 35606629 12931584 12302859 12685891 12699661 13076582 12304522 13303728 13568676 14082518 13215484 13806843 13361200 13463106 13075004 13393370 13028134 13099336 13351198 12563424 13001676 12739188 12871685 12677688 12880894 13810567 13429816 13889829 13644616 16358712 13802652 13794126 13798931 14623870 15134945 15114103 15110456 16012653 12953831 13153789 33356477 12717401 13900017 21838240 29213703 34843179 26251269 14152863 38089335 14387986 14770266 15226060 15588575 15482947 15603637 14500270 13552089 14517548 14263866 14224809 13254819 13225599 12917759 12762719 11926318 12353804 11362224 11335567 10835369 11179393 11312555 10979034 11734077 10651056 11375200 11321519 11215539 12269749 12322819 12508097 13091182 13786177 14323197 14245619 14472339 15096397 7650368 12067917 8817020 8412277 9658198 11948494 9584078 8512162 7902873 8739969 6265457 9181364 7966128 20783793 20285633 20043472 20185650 18759319 18194189 16101773 17808951 15955274 17398654 17546435 14460752 15365431 12171706 12873553 4595560 4359700 4443678 4011396 4035432 5104356 4938629 4902305 4410196 4431717 3181641 4380474 4059476 4614329 4908831 4169312 4984789 5395757 5741829 4095457 8591589 7651168 8055662 8534302 8243967 8325279 8267397 8576254 8240261 8234416 8045423 8421327 8604210 8443259 8110449 8291858 8098923 8028145 8177133 8428201 9218807 7966441 8232535 7771919 Dethiobiotin 170618 171749 181354 167815 181814 173508 189617 169050 203247 179183 193496 173086 169863 177174 177236 167711 164105 170472 178412 175138 177505 177859 179798 177992 88378 41329 39166 96195 85040 10464 91244 10402 95015 10151 42014 96712 118405 115865 114922 150345 119429 116694 114669 110599 114656 112788 110532 118040 397752 406719 399751 412308 395255 392488 399616 390687 397987 403759 428427 392434 417284 428324 422619 421409 422389 425257 408892 433150 415359 430891 427848 419051 179934 147151 182999 96910 181286 180119 174002 139657 103972 183814 100706 145513 210707 209054 210722 209381 210360 211543 208141 216375 215023 211927 204639 215869 114824 136091 121318 122171 135227 111787 124241 118081 116682 134984 117280 120258 109772 108025 108877 109092 110288 100959 102408 103444 101493 102726 104781 101827 14778 13803 122936 110761 126778 112091 113751 15038 14608 133753 14907 14553 163555 153971 153170 156899 160702 157983 156238 158139 154993 156860 154267 158037 14331 41952 79560 46678 86341 13625 85091 45929 12532 77962 79508 85243 92537 97926 93253 93360 92860 97615 91343 93821 95805 93491 97683 100699 Palmitoleoyl-EA 5348 4409 4884 5700 3192 6835 2422 1437 3761 1558 1454 4885 8614 9123 3503 2564 5132 7954 4163 8562 10406 9016 2185 2850 27534 7637 9586 9944 2833 17143 8069 13242 6814 8665 4154 16267 4141 4679 4671 8205 5496 13125 6426 7025 12280 11349 5909 15036 8643 11861 6421 16563 12158 36971 13200 23768 29192 26600 10968 9826 14071 18268 9786 20399 23541 25452 20337 11149 13159 18962 20750 11007 13904 21372 6016 20583 9498 14273 30865 16016 21033 13198 17459 19725 5562 7129 7141 13801 11689 8865 8418 8612 6770 12061 9413 17143 12882 3582 7673 10902 3903 6660 8845 9242 5907 8972 6550 2283 5102 1599 14279 1356 10967 3043 3278 3130 5564 10405 1848 6314 3871 2850 1693 2864 6244 11498 1878 4516 5341 4377 8834 4788 4399 1626 3541 1774 9444 361 3416 1599 926 2262 4188 5394 2014 9779 4419 16856 4072 4285 9618 8019 8428 14033 7036 22833 5653 17131 3644 16143 11845 29561 9199 5231 4657 3654 1292 1823 Stearamide 521 921 928 894 1395 1144 702 1042 209 313 415 536 723 1545 2490 1209 912 2098 655 1442 1913 1952 1205 1106 4364 3282 3047 2082 2125 3501 2405 3145 2191 2496 3025 771 306 723 562 1228 292 789 605 733 887 590 453 1386 2390 4689 2000 11296 3480 8761 5638 7518 5405 6032 5010 4030 1107 1835 1431 2914 12799 3865 918 4108 2464 3605 1039 2377 5639 3479 2408 6171 6058 1876 2410 2698 4472 4065 10891 7483 822 2727 707 2875 451 353 1211 960 1980 1978 1489 912 7901 3510 6021 6686 2429 32870 5930 4479 2595 13571 5154 788 2125 4131 4220 3510 8648 5551 6555 8983 7104 6380 3087 11083 5591 3858 4061 6308 5976 5960 8473 4899 5795 7739 5884 3986 1342 1720 1325 623 260 138 359 403 386 481 460 617 3365 2510 1661 2447 999 3793 817 1059 1906 2093 1632 2566 2252 1743 288 4497 6356 2611 1652 868 545 472 236 283 Putrescine 6201 4595 11308 4061 11673 3955 15782 3844 16151 10865 16196 3397 2763 2654 2950 3138 2833 2828 3047 3091 2912 2814 2959 2795 2707 1787 1795 2537 2646 1197 2875 828 2733 1147 1760 2732 2408 2423 2335 1338 2238 2384 2440 1972 2471 2382 2305 2339 13690 13802 28040 13807 14068 18177 19093 29992 19380 13853 31346 13341 13944 14313 13855 13389 13579 13380 13214 14189 13813 14081 13855 13601 13539 11820 13370 9500 13055 13216 13236 11915 8753 13312 8956 7833 14153 13636 14381 14700 14271 14290 14531 14176 14353 14848 14533 14842 3166 8467 3697 10133 7002 2616 10986 3558 11914 6116 2802 2679 2368 2302 2254 2012 2214 2594 2455 2498 2518 2215 2382 2216 159 132 272 291 222 167 270 150 113 263 206 88 224 106 158 433 245 199 98 463 308 338 257 254 1002 2491 2867 2442 2879 839 2851 2190 1180 2606 2922 2775 2436 2754 2694 2591 2615 2589 2704 2213 2666 2400 2523 2540 Cadaverine 19556 19181 21180 19488 20187 19501 20464 18230 21699 20390 21454 18014 14928 15269 15876 16923 15656 15762 16558 16222 15803 15681 16635 16193 6564 5804 5644 6776 6616 4234 6620 3905 6318 4372 5142 6211 6263 5699 5857 2402 5368 5501 5432 4471 5798 5419 5875 5199 16196 15813 17002 15654 16098 16609 17256 16643 17059 15878 17686 15654 14426 15097 14938 13960 14628 14755 14269 14791 15061 15006 14804 14908 10003 7815 9565 7103 9577 9222 9091 7782 7230 9622 7545 6967 10016 10076 10270 9955 10008 10231 10251 9685 9570 10037 10181 10272 6998 12242 8348 9844 10333 6976 10451 7781 10179 8910 6924 7429 5573 5585 4957 5111 5038 5581 5399 5301 5598 5192 5227 5847 789 774 424 422 639 422 682 687 653 560 831 688 177 71 18 264 150 134 73 168 41 463 111 22 4768 6070 7311 5433 7277 4806 7097 5663 4861 7646 7252 7030 6711 6919 7252 6285 6407 6654 6410 5556 6386 6839 6314 6798 Tetradecylamine 92746 72167 34760 70227 115660 28041 74801 90630 71080 47165 27677 39098 27085 45774 54210 27432 29013 42043 19383 38840 29052 29952 49375 50356 28230 37846 36792 48415 23621 22405 22069 25483 38381 23049 86099 39076 60474 15605 58506 24882 24992 46597 46384 50370 101091 7805 76774 49007 96360 68254 38766 60902 51713 64751 85439 27922 35190 65521 46177 44065 36514 62142 60444 26440 52287 18684 18665 86159 56949 55120 16517 40754 25734 20997 20812 20280 17308 9350 15369 7702 41174 33053 15658 25541 24992 31343 20425 11735 28336 17546 42961 24168 70213 18115 13394 31422 18535 19222 15450 16255 17649 14711 34439 11107 19444 38446 23589 53091 10552 49106 11122 37027 13389 24367 15530 28397 23935 25495 66871 22265 20938 22918 68926 34483 1342 26450 72743 30355 24283 27564 27940 12700 30948 87896 42619 45566 18224 41368 11189 16163 40240 37122 72631 16060 84254 40784 76772 18159 53948 19310 50722 25623 29397 28444 31006 17365 116341 43737 79203 15685 47311 25114 38974 60906 32126 27410 45672 39567 3-Dehydroxycarnitine 43025 43518 43618 42340 43667 42555 44931 43264 44421 42100 44532 42488 43389 42117 43629 43082 43947 42758 43804 42596 43381 44088 43621 44355 50632 48730 50887 48164 50264 49829 51462 49523 50314 48363 50884 51000 49415 49554 50004 49143 48290 50445 48388 48064 50210 49415 48877 49425 299495 304485 301483 296985 300373 299229 304573 307640 304357 310098 317624 300108 309935 310234 314587 319809 310503 311213 314119 312596 314681 316685 311819 308000 162817 161552 161136 156169 157229 160732 155588 158113 158181 162303 152168 142768 180965 175710 178445 178674 178228 179321 176403 181914 179019 181049 177575 181438 38376 38321 36887 36967 36486 37310 38898 36012 37659 37173 36161 37220 37886 36734 37528 36497 37670 37433 37997 37266 37470 36835 37694 38362 46484 43049 41392 40310 41005 40873 40257 46619 43620 40769 41545 43569 41121 39943 40589 39088 38823 39658 39048 39100 38941 38497 39329 38426 48365 50989 50211 52065 50947 50953 49138 51634 49933 50401 50642 50735 51102 50713 49537 47762 51151 51454 50539 50049 51213 49403 52033 50817 CAR 2:0 31067 31130 31960 30456 31156 31713 31801 31274 31320 30968 33597 30985 32694 31825 32302 30184 32338 32984 33497 32508 30727 33407 31836 31956 1464 1130 1020 1479 1300 814 2092 828 1113 660 1222 1117 1885 1875 2297 2121 1900 1519 1899 1605 1703 1713 1469 1741 14401 13846 13733 14297 14656 13132 14766 13664 14034 13516 14390 14108 13425 13692 13846 14061 14257 14663 14874 14922 14237 14119 14931 14371 2867 2317 2475 2145 2645 2351 2575 2236 2219 2392 2213 2639 3549 3291 3211 3235 3321 3656 3053 3220 3286 3068 2953 2860 123417 124881 124873 119043 123190 118267 118688 122136 120149 123216 124402 126919 130478 128248 124171 125078 123803 127655 131503 125142 127713 126290 127793 128084 6374 6112 6378 6760 6701 6850 6901 4645 4706 6457 5838 5193 8640 7711 8459 7731 8288 8232 8269 8338 7870 7250 7874 7371 37 91 40 41 1258 37 91 79 50 54 166 1914 CAR 3:0 692320 682795 240604 351084 233172 243279 250528 316663 306831 256533 189463 737775 697345 737320 828329 798560 811343 785304 775815 796443 867507 872414 872337 751942 33098 353 25594 13635 7339 14307 9905 8531 15261 15829 14213 27775 21152 26979 59618 15310 13107 57634 18368 43936 39049 16059 22362 30486 279993 107023 126439 232726 139886 62817 114034 90606 94408 101595 103075 281232 212134 353232 295203 357128 260111 267970 256222 312442 311068 317695 306983 228951 196488 199250 188473 177483 191146 282015 249710 113190 227221 217798 262577 253742 240043 219748 372054 299789 346861 320582 275182 282918 310421 374425 273772 304298 1591458 1253222 1559788 1147335 1356388 2919247 1303642 1524081 1316811 1161971 2917393 3099775 3174473 3274568 3227978 3246674 3104700 3341214 3303775 3156119 3149981 3114520 3194653 3287943 561741 537905 532716 542289 557546 507301 521373 464331 464538 466844 471068 509067 672246 612355 598908 572996 596414 565054 558798 587954 554810 524963 564382 484350 6832 38137 6370 30919 18943 29175 6833 16545 2769 17669 21382 23597 6614 4852 8553 7473 22303 10294 16584 17616 20949 CAR 4:0 12336 13581 12898 11559 12440 11933 13547 12292 12724 12207 12373 12557 12236 12570 12190 12734 12490 12704 13526 12710 11757 11199 12466 12151 2254 1883 1763 1993 2153 2349 2422 2108 2151 1739 1988 2120 2825 2570 3198 3328 3322 2723 2372 2676 2743 2986 2623 2890 18392 17788 17209 17994 17586 17483 17480 17441 16965 19037 19523 18034 19226 18462 18791 19282 18995 17807 18231 18775 17846 17502 18980 17982 4153 4842 4009 3538 4011 4680 4105 3621 3638 4130 3172 2921 4761 4726 5193 5351 4411 4701 4908 4177 4467 4662 4110 4635 61102 65196 64003 62653 62441 63189 63723 60861 61833 63531 61619 60971 63008 63409 61023 62517 61063 62548 62887 61652 63496 61210 62091 54275 18422 18326 14942 15340 16161 17154 17120 17429 17609 18348 18514 13463 18381 16748 13924 20617 18809 20403 17424 19985 19825 20038 20330 19360 363 642 197 587 437 275 199 289 369 95 443 528 70 279 163 615 288 364 330 260 123 831 405 622 CAR 5:0 3101 3092 3402 3773 3347 4079 4140 3893 3790 3168 3224 2691 3968 3243 3885 3841 3297 3693 2662 3604 3635 3741 2412 3738 5136 4413 4655 4400 4300 3780 4354 3300 5069 4068 4701 4912 5151 4847 5127 7283 5109 5432 6027 5715 5390 4870 4550 4687 5781 4474 6845 5932 6219 6258 5778 5821 5253 6193 6048 5651 5804 6477 7258 6984 6123 5641 7037 7096 5557 6489 6044 6411 1922 1973 2196 1697 2407 2374 1734 2013 1589 1596 1946 2524 2002 1878 2103 2492 2349 1875 2142 2209 1613 2357 1878 2308 9305 9812 9846 10227 10205 9088 9771 9333 10699 9757 9576 9030 9136 9698 10322 10004 9411 9585 10128 9661 10489 9906 9674 8721 4870 4852 5533 4746 5773 5275 5460 4695 4759 5313 5312 4008 5365 4710 4290 5733 5013 5605 5380 5921 5731 5344 4980 6089 1952 3413 2067 3575 3421 2654 3505 3182 3153 2077 3183 3034 3667 3734 4441 3346 4150 3590 3210 2935 2365 2335 3642 3670 CAR 5:0;OH 10708 10690 11336 10072 11358 9969 11325 9937 10685 10652 11213 10995 10229 10562 10523 11109 10593 10874 10795 11035 10344 10609 10783 10553 4107 4073 3971 4364 4605 3836 4119 3673 4044 3247 4404 3978 4317 4612 5080 5060 4999 4733 4801 4983 5120 4460 4794 5029 2966 2956 2641 2912 2784 3274 2787 3231 3247 3608 3174 2945 3115 3230 3232 3336 3275 3208 3484 2940 3083 3612 3147 3248 1797 1511 2168 1622 1725 1604 1638 1653 1346 1755 1710 1337 1908 1185 1653 1843 2024 1829 1882 1949 1724 1866 2221 1670 10113 10291 9904 9877 10311 11069 10889 10230 10294 11578 9835 10663 11407 10773 10618 10767 10856 10962 10583 11255 11116 11374 11479 10859 5690 6080 6010 6046 6383 6004 6229 5294 5141 6707 5142 5235 7376 7034 7901 7118 7081 7296 6997 6938 6450 7127 6921 6318 1245 1312 1453 1591 1419 1310 1196 1580 1783 1684 1546 1085 936 1459 1597 1808 1396 1656 1513 1862 1440 1722 1191 1393 CAR 7:0 33 73 33 30 39 1314 885 929 575 1192 691 1042 947 685 2123 946 785 668 954 537 306 799 665 654 833 1233 642 735 743 6492 6335 6451 6670 6270 6472 6227 6341 6096 7124 6543 7505 8097 7545 7196 7200 7913 7562 7318 7857 7646 7586 7214 7878 1096 42 33 68 167 1215 238 2951 CAR DC7:1 135130 144802 110109 155053 217736 220669 224417 134664 107093 126260 87567 238846 191647 270930 289133 336620 218440 239855 163772 210023 162277 217306 216179 172396 109374 107803 89765 105603 126574 137101 97550 123624 82128 178381 129435 126635 69122 124309 128034 120214 87643 92392 82632 124989 101287 154265 118662 102476 256972 175772 152540 154425 164389 193119 188726 239331 165234 241707 182346 239317 118342 151305 72440 157392 236553 229269 286628 188314 194630 90355 207919 119896 1090770 770419 900905 671862 941873 1003784 905000 882796 581345 953818 842478 851426 1057385 1046344 1070945 933563 880236 891731 882901 788515 857792 1070066 951990 955681 444927 295988 466576 121425 382572 416541 5531 489322 32964 294001 594086 465513 445249 442604 472587 473964 401696 572074 483926 513359 475173 530969 456371 473630 318402 252746 297478 302214 399405 409278 362421 378696 604084 308799 320169 353729 383306 347425 356656 450295 431842 441831 300502 451843 394568 477296 338451 338025 257647 183880 223463 188225 157444 260492 111782 109870 117437 186377 94457 144992 180708 131537 123965 183974 136697 140481 150587 132655 97206 95065 167044 147011 1-Methylguanine 17396 17485 19987 18538 20101 18691 20892 18319 21695 19059 20721 18016 19019 21565 19249 21979 17149 16667 17680 18619 21109 18005 18497 17816 25084 28906 29629 21845 24677 32364 23430 31574 20744 28334 29230 23888 21905 23569 22614 31368 22684 23612 22877 22438 22588 22726 23401 23651 13686 15106 16893 13812 13685 13613 14238 16644 13807 13993 18842 13423 14132 15151 14402 14492 14132 14386 13673 14475 14802 15011 14672 14521 18922 22290 18769 24055 18101 19046 18701 21878 23659 18905 24283 20684 18242 17361 17886 18151 18045 18095 17601 18787 18584 18525 17714 18403 10298 10897 10056 13439 10800 10804 13063 10433 13079 10844 10510 10850 11010 10576 10756 10483 10237 10005 10447 9725 9908 9508 10603 9932 10032 9593 6821 7744 8758 8603 8491 12124 11861 7812 10909 10904 7484 6455 6993 7237 7020 7069 7599 7036 6898 7174 7044 7103 28313 26425 21979 25266 21079 29579 21704 24012 25510 20784 21916 21312 20664 20306 21989 21165 21737 23178 20647 20949 21123 19090 20799 19573 7-Methylguanine 168609 136182 155982 173240 157827 174224 154299 171033 156567 152030 154247 174616 175265 171302 170502 170874 164665 160282 161497 152770 169193 162399 160261 160308 49060 48991 48025 48257 44839 58003 32592 45841 42428 50003 47123 49480 40041 51452 45263 63652 43820 43847 47722 53127 48649 51744 50622 51357 79347 78540 75996 83187 81766 77212 78316 75126 78938 82125 80776 84978 86675 87595 88772 88370 88018 91370 88364 89485 86665 92679 90896 88298 136535 137256 141183 147523 121358 133975 132868 137827 143725 132609 151061 131766 146175 141513 149556 150933 151411 154456 153234 155275 162604 156483 155565 156815 109975 119102 110298 166147 122340 101210 161992 112546 151814 120473 113684 108697 114587 107553 106302 103431 107171 96651 103527 101594 99745 92214 99852 105701 72342 67185 57982 54955 73388 64413 64468 83223 77481 68872 74433 66080 76499 75486 75502 78190 83522 83901 81417 83836 78963 77283 83305 85846 42960 32219 33035 39288 39851 40710 46401 46401 44182 40919 36384 44281 38083 41118 42050 38756 43737 44677 43548 40755 46765 37890 42510 36808 Deoxyinosine 95 77 90 7376 24863 24806 4922 8070 25846 6461 25813 4318 24859 23590 4758 2214 2227 2560 3259 2202 2791 2708 2227 2947 3059 3039 2744 301 88 99 93 75 1104 14660 1106 29119 1718 1173 1618 13910 24447 440 22947 13659 52 6 5802 4708 188 139 409 408 359 10544 10689 820 8039 9267 40069 31868 8282 28403 5806 40070 6148 21938 34312 6843 7607 6125 2898 2587 2676 2816 3479 3106 2414 3193 2601 1937 3110 2452 Deoxyadenosine 184918 186453 417480 208980 414139 201595 545336 207446 548573 394509 537072 192472 204460 200588 188092 210847 181782 182110 189320 204474 213977 186384 186686 191614 1363948 40442 34789 1632366 1335414 9572 1423171 10739 1477935 6399 22476 1594314 1733875 1817256 1639691 2482318 1676379 1740973 1724255 1711056 1715972 1794204 1813459 1787226 192510 204153 359844 196519 201778 242490 269601 351183 262690 219193 364776 195326 188458 200594 189293 197465 194825 196338 197417 200730 195284 208385 194186 200283 464424 221193 461887 7267 448659 443669 438706 195258 8193 435508 7099 184227 476048 469642 469105 465452 472867 469812 461833 484552 486003 480182 458558 475947 255932 692640 261082 1109583 698873 235256 1180032 260115 1140552 666921 247682 250603 242242 231036 231372 234590 229041 227559 226422 215875 220867 221269 230334 226655 71677 72730 258400 270100 314485 294665 298282 8500 8389 289270 62797 7358 186197 179773 184621 177466 188778 182911 184845 183602 175593 188594 175059 183056 3830 111472 1393572 407185 1532293 2497 1587074 559471 1551 1373066 1444870 1492710 1632933 1788148 1757234 1718017 1752082 1767544 1668598 1672225 1788060 1600162 1690582 1636929 3',5' cyclic AMP 428092 426353 419848 418367 432935 430659 430770 427588 448570 420051 427758 434108 413892 412258 435698 438011 435610 440788 452589 445070 426343 445609 438398 447588 74019 73004 70314 74487 73040 70935 74891 69646 71196 68197 68567 75145 78470 75535 74587 107373 75307 77312 77610 74036 78322 77644 78679 85034 405938 408290 416453 406816 405418 390117 414610 394700 408226 403532 434571 394185 410320 407180 414711 416931 401719 395389 387898 412417 417687 420068 415368 424128 252113 243820 242091 240603 237587 242887 241936 250115 233715 256581 251861 243303 289178 276878 279524 291115 280952 284539 273020 294451 295840 281475 266028 281741 405436 439589 424636 422863 418963 415394 427715 417761 410373 418490 393223 417041 421768 413928 408704 423820 400179 413232 407459 382379 389826 391625 407840 423373 105623 107818 100308 104371 107639 103159 106987 98184 98558 107672 103109 105550 122721 125582 111461 116663 113198 122699 128018 115568 117036 118676 119816 119735 34030 34898 33686 33396 33071 32856 34228 35111 32512 31341 30778 31237 31826 30678 31453 32609 30655 33369 31230 30573 34099 31012 32494 31436 Adenosine 44632891 43852439 38901373 43514785 40119446 45027627 27995792 45190252 30964338 40465176 27695339 45538138 45085976 44790147 47803033 47470485 47134551 46969786 48103572 47631929 47363586 48423128 49404234 48227789 8965501 91595 85033 12333931 8324642 90258 9792443 112575 11512822 64662 68324 12563014 13785572 13352396 12998437 17271923 13525839 13434042 13216548 12847369 13517240 13394313 13169369 13504750 34268498 35461088 24406709 34237471 33991569 30953049 31304949 23963397 30754971 33705642 26492093 33373267 34423461 36235221 35520542 34947344 35068655 34760180 34629900 35850987 35369202 36750359 36330083 37170590 19404998 9052346 19328459 277475 19123970 18416053 18176826 7600738 436613 18921753 428585 8949583 21386662 20750814 21228920 20994178 20744027 21159078 20615679 21299970 22260834 21609303 20980324 21864080 25293822 23980328 25902836 16190715 22739398 24633956 15873908 24308456 15507342 22447564 24891310 24889291 25247268 24445962 24603469 24289674 24551659 24024492 24626343 22982287 23765225 23264926 23892432 25532593 4819020 5361365 16983205 16295229 18892237 16693378 17265737 539785 425288 18461773 3286218 454967 20115920 19915136 19264231 19033771 19911508 19716579 19683100 19654100 19581597 19960558 19170970 19972233 107538 164763 11429189 1150777 12783484 29293 13195448 3140082 27081 11260742 11689872 12409562 13421102 14001820 13217793 13790181 14013195 13873893 12825546 13521617 14152753 13413099 14172839 14208041 Inosine 517258 515922 547197 511087 555766 523282 545146 515296 533290 547317 555804 514901 471058 384336 476851 408740 523935 516013 532668 487784 415810 514280 520744 491325 888925 1394779 1392647 582938 928827 1433920 827117 1436088 603988 1380936 1352544 616243 364189 360139 357289 443557 372346 367463 357848 371529 382343 387330 386802 377897 276871 278210 392636 274975 270842 294974 313186 422854 315283 280765 456184 275087 269019 277664 280444 269901 276022 272803 275654 281611 273021 272060 271605 272586 369509 1595781 338771 2262962 337100 547672 597073 1726962 2204006 508256 2314880 1594630 123684 119250 119031 118172 110697 122091 122330 120103 125266 124516 121282 122958 374339 395975 383912 376775 382592 375859 388066 381730 358955 381043 377600 379785 380770 364388 368980 375756 375115 363438 377179 362474 366643 358969 352870 375590 2448625 2365454 529454 697007 585019 762520 800172 2894114 2961960 583658 2628474 2815494 321907 325500 319253 313307 319715 315394 312702 308246 310017 314377 311047 321284 1541255 1501642 720061 1471113 584829 1601692 619772 1406072 1532466 674224 667033 524079 340292 359416 304742 361881 353221 375224 322524 342479 356961 341611 334365 332773 Guanosine 1809848 1817338 1878338 1836294 1877835 1862923 1714607 1867889 1930674 1850811 1842779 1846557 1642704 1359571 1736506 1473648 1823925 1848594 1865012 1690853 1439209 1855110 1857084 1852018 859603 885674 920419 751633 857101 1038916 790929 1041601 738987 970003 901087 823602 666742 712073 649284 1052274 669129 706630 682286 682341 713155 722809 756497 743503 486488 493912 605790 490164 482871 504759 535795 664665 529492 485746 730340 458488 448291 476564 463480 450047 459888 458901 451575 476536 464933 470542 472873 468993 724908 879458 720145 1235066 700832 744757 765627 884731 1193822 753822 1230169 903907 657145 642333 650942 653284 642199 656170 635097 657787 688194 680683 652609 674579 897050 927823 949242 809133 885142 913645 823328 933533 773301 892977 909028 940873 889962 869555 857401 846579 858914 815619 863561 795607 829160 791366 807046 859384 1035082 1019015 752922 812972 920054 865140 909872 1398517 1445325 898977 1083890 1355686 857826 846241 819145 801572 828945 828818 830098 832326 804090 825412 812006 855115 1411727 1237253 1213144 1235846 1190622 1413021 1228811 1274208 1250845 1073304 1088503 1201526 1110951 1079523 1144127 1137013 1160753 1185952 1103318 1125492 1166688 1010242 1130765 1081790 Xanthosine 170774 167937 170407 175787 172472 168624 161283 168036 155800 178112 154973 169296 168187 165157 156489 143904 164227 163828 158849 160405 160623 159577 156517 155656 10254 10004 9603 9305 9776 11016 9947 10024 9748 10107 10577 9965 10540 9187 10202 11005 10374 9830 10175 9633 10150 9042 10629 10004 71399 68085 80627 71086 71319 71839 76010 82049 78331 72604 77352 72183 71518 69277 72801 69954 70897 71573 71476 70980 72671 68923 69286 67941 43391 47018 44414 46056 43550 42408 43770 45826 44199 44638 43328 48570 45907 48211 47665 47067 46308 49420 45959 46342 45134 45948 46318 47852 205994 502923 215430 368413 483647 204260 382390 214033 365681 486296 215441 218613 215327 208219 207768 201810 207281 196351 201727 196362 197070 189563 192559 195842 116003 120143 95961 101835 111790 103713 108552 124390 127718 115255 125989 119008 134527 129512 127177 126014 129751 130374 130489 126297 119612 124882 123017 125700 10743 10476 10499 9607 9507 10390 10926 10814 10101 10589 9524 10454 9207 10176 10799 10366 10288 10226 9612 10739 10275 10172 9709 9783 5'-Methylthioadenosine 473994 434510 60 240327 386 214645 2331 216334 2877 321 2237 304060 184280 52334 154775 53227 280119 242154 231540 148939 45926 302173 272450 235143 2567 79 270 8854 2281 4377 10032 1167 12261 11861 13790 13946 20156 16000 16684 13646 12533 16053 12406 15267 12210 2402571 1510255 2709 2426881 1283968 433 390 2891 178 1291363 2841 2320429 2540368 2909348 2463454 2579137 2420836 2606533 2621757 2690332 2709017 2838427 2784470 2619967 2128420 12449 2014898 3059 1929152 676245 655259 12319 3058 664169 2545 11648 2588770 2439732 2656798 2574596 2379433 2461704 2314754 2507325 2524772 2322861 2169688 2344623 2673517 4668 2532641 4735 5921 4314915 5944 2111307 6602 6231 4788750 4879664 5145583 5012579 5085002 5065795 5260925 5055167 5217966 5123236 5268829 5297007 5655982 5853528 5201 6304 3680580 1041126 3776553 940696 981020 1199 862 3905904 4765 995 4535968 4542176 4357723 4360362 4477883 4274901 4281148 4375856 4202453 4453858 4107050 4213172 2055 4160 16763 4399 72829 877 56525 2459 875 20024 18081 56978 61364 82414 67147 76162 64096 69824 85759 69625 75368 78052 72578 83510 1-Methylguanosine 36882 40684 41961 40140 38427 40782 47062 36948 45142 42516 44340 39861 39691 38118 46438 36739 45557 40496 39345 45849 44669 39935 37806 38671 35723 55495 53676 28925 36392 64031 31290 62338 34217 63936 52470 31280 26763 36024 27787 41787 29937 25051 27564 26778 29464 36471 30910 29923 17115 16950 25328 18213 16080 17126 17960 28886 18861 15351 26856 18859 16541 18211 16024 16942 16493 16244 17842 17079 17493 16269 14576 16494 32630 52237 30665 72403 32768 31741 33899 53551 75760 34134 75595 48721 33199 31459 32636 31741 33605 33015 33131 36226 34370 37347 33574 34548 18828 18033 16143 24680 19084 16362 23895 17176 23246 17907 18247 18342 17208 17104 17965 16324 18546 16158 17816 16999 17281 16974 16830 17613 39408 36469 14580 17993 18919 18472 18423 58457 54957 18506 44920 50832 18385 19664 18414 17836 18232 16334 17987 18031 15715 19415 17571 17703 61487 45925 32535 43845 25657 59006 29057 47666 48160 24053 24198 25103 25564 22963 20563 26021 23686 28044 22065 23824 24817 24478 25327 25194 2-Methylguanosine 13813 14322 12910 13791 14047 14435 14192 15036 13750 15058 14668 13937 12771 12227 14082 13256 15471 13738 14161 14169 13206 16721 15395 15394 14908 19066 19413 12673 15804 24143 14265 24105 12212 20290 18872 14254 12309 13388 10854 19850 12410 12335 11805 11437 11649 12890 13350 12152 4739 4627 5736 4577 4679 4201 4934 6629 4734 4959 6679 4347 4846 4774 4521 4385 4169 4730 4037 4505 4465 4424 4874 4675 5348 6730 4618 9748 5056 5365 5567 6958 9064 4985 9919 6638 3596 3641 3210 3251 3188 3986 3303 3720 3480 4204 2958 3858 4843 4158 5410 4338 4426 5417 4290 5980 4378 5286 5749 6045 5643 5387 5263 6126 4488 4574 5316 4188 4684 6085 5143 4449 6670 6824 4690 4355 5983 6118 5701 7945 8156 5396 8023 7262 4576 5501 4874 4657 4974 4770 5032 5698 5532 3694 4728 4776 21321 17037 14694 15229 12921 20138 14333 15613 17388 12419 12765 14337 12668 11865 13721 13832 13206 14979 12720 13365 12879 10679 12400 11477 N2,N2-Dimethylguanosine 47671 47590 48071 47095 47919 48080 40854 48415 43968 45046 42505 47922 47039 46989 48254 47062 47707 49875 48606 47807 47486 51172 49753 47866 42608 35776 41370 37450 45177 46723 34678 41079 31630 35924 38315 41278 37414 43033 31040 61864 35707 37387 34556 38600 35500 38237 39137 38992 19724 18747 19446 17800 18743 16955 19658 20816 19688 18502 22464 18768 18829 18920 18333 18992 17928 19252 20367 19953 20588 19511 19859 20398 17451 18313 17503 20696 15970 17112 17299 17649 18108 16518 20320 17975 13338 13661 15494 14070 14152 12994 12764 14262 13756 14159 13446 14723 10134 13163 10097 11096 11553 10264 10674 12123 10544 15077 10201 10538 9010 8994 8967 9929 10323 8418 8386 8711 8157 8005 8754 9435 14577 11333 10779 10783 14619 12421 12898 17451 16216 11800 14786 12822 9822 9733 10793 9988 11544 10105 8814 9214 9785 9281 8668 8536 39145 33009 31167 32638 33376 38345 39018 41580 34447 33257 35446 36305 31619 30521 35256 35292 32207 41413 32407 35341 35489 30421 33328 29563 Xanthine 71785 72704 70924 70487 74039 71733 69870 71530 74841 71279 71516 73344 73138 74370 75657 76454 70862 71975 76965 75792 75787 76110 77831 74358 20282 19535 18586 20309 20078 19000 20498 18759 20372 18467 18423 20485 20778 20759 20112 28064 20193 21015 20697 20393 20227 20762 20302 21118 64751 65759 66103 65640 62875 64882 68163 64801 63272 66599 72045 63747 67673 70616 69784 68490 68989 67549 67543 70711 68933 70163 71005 69127 64354 64827 63695 64717 64040 66085 65068 64199 64497 68186 67768 64476 74916 72933 75086 74227 72839 77343 73943 76555 77935 76526 73020 77736 86186 88283 87109 76886 83024 83169 78684 84150 75767 81429 86738 86951 90360 89042 88361 87376 90721 86004 88908 83478 85429 82616 85259 91885 40269 40969 39853 42633 46550 41820 42897 43104 42784 45710 42411 43029 58490 56427 55726 55437 57726 55381 55861 55236 53379 55481 55189 57480 16923 17290 17727 17192 17668 17524 18101 16890 16675 17208 17577 17740 17954 18312 17532 17629 18022 18505 17628 17711 17823 17442 18138 18570 Uric acid 29389 30422 27473 29458 30809 28967 29473 30349 32071 30559 31370 32017 30891 31005 32016 29017 30339 30566 31502 32206 31282 31107 31948 30230 464 573 490 504 617 376 388 705 578 586 582 485 548 364 393 564 470 525 588 687 522 446 650 605 15925 17601 18357 16925 16644 16676 16811 17161 17165 17070 20048 17365 18362 17534 18102 18907 18336 18134 17923 18300 18629 17847 18918 19551 13904 15429 13839 16875 13985 14893 15451 15657 15375 15434 17224 16574 16440 16695 16138 16798 15525 16254 16009 16557 17301 17022 15431 16836 373 504 332 212 563 30 251 414 188 395 231 272 117 234 146 224 366 293 285 132 244 367 213 279 32 85 56 53 58 37 34 158 36 38 36 30 30 801 702 942 893 749 874 1010 944 755 815 833 958 896 937 734 817 742 897 607 972 792 898 766 643 FAPy-adenine 10797 11087 11681 11042 13002 11772 13634 11815 13827 12617 13592 10917 11042 10699 11058 11646 11732 12276 13211 11998 12126 11903 12076 12428 5135 4573 4437 5255 4786 4676 4725 4891 4441 4140 4696 4560 4740 5141 4972 7132 4725 4485 5247 5232 4396 5066 4371 4859 14400 14144 14581 13617 14283 13963 14782 14709 15039 15026 16312 13900 14315 15561 15058 14255 14117 13482 13685 14340 14447 15067 15338 14441 18663 17963 18001 18425 18231 18163 17987 18204 18305 19508 19325 17729 20646 21804 21444 21266 22467 22151 22795 23247 25084 24048 22541 23138 5806 7202 6007 5767 6602 5801 7139 5722 5300 6340 5168 5364 5382 5487 5524 5508 5957 5619 5594 5106 5560 4731 4606 5175 9307 10230 9140 8891 10030 9022 9747 10873 10739 10437 9748 10173 12718 11959 11833 11233 12332 11776 11210 11610 12368 12083 11942 11252 4190 4318 4339 4534 4525 4222 4647 4407 4175 4539 4409 4456 4536 4650 4686 4297 4692 4650 4315 4645 4569 4655 4958 4728 Ectoine 14870 10755 16524 14497 10555 15350 7700 12746 16332 11837 10322 14321 12996 12745 11974 11986 11556 13442 13745 12110 12390 14225 11784 13205 3419 2541 3289 3305 2894 3254 3642 3685 3338 4444 3507 3356 3485 3821 3712 757 4003 2929 3848 3553 3397 3387 3516 2860 55039 53816 49002 50406 52828 62841 58636 56914 56763 60267 52976 52727 57355 57804 57204 61311 47558 49888 57173 57919 56821 52048 62247 62488 43810 41698 42121 34447 44900 36740 38981 37551 37705 42605 36807 37711 38949 41299 44821 44448 43700 46574 44867 38479 46107 41987 45054 44774 7219 7530 7512 7755 7512 8276 8594 6602 7286 5895 7649 6768 4815 6173 7148 7570 8034 6415 6330 6492 6927 5822 6271 4779 7591 6496 7064 6709 7149 8210 6004 5808 7848 6904 8492 7253 6020 6655 8508 7632 6909 7025 6260 6173 6666 8301 5160 6050 4344 4983 4371 4223 4503 5468 4992 4385 5781 4820 5431 5502 4672 4470 4419 3974 4834 5311 3977 4534 4035 4668 5059 5255 Deoxycytidine 395494 385037 678129 440180 724944 364154 733848 394440 728527 644455 766479 405215 384245 403955 332162 415418 326806 318779 312974 357804 376983 325532 321346 324681 1531101 2436968 2403946 1425455 1597073 3209826 1433649 2899300 1468626 2880288 2350018 1460560 970054 1016768 980088 1437106 1017490 1020196 992794 1019390 1023137 1036854 971446 1046076 604442 670670 961681 616635 626851 759812 810257 1006153 982557 638853 1000581 667094 593968 628200 704645 634663 651291 589384 616859 706050 713184 900498 603309 593945 1024893 1809221 909855 1846550 892892 951405 960683 1496541 1808168 1025468 1659443 1602362 659725 601041 639873 615363 668916 618263 664631 698004 714317 638843 652707 641305 424112 967253 376103 1297690 861792 398195 1214691 461482 1609460 666095 352888 337828 308816 438935 257477 359271 330805 298689 233147 288880 240169 266179 287886 379672 1631880 1886419 795143 918464 864636 844380 1015938 2109631 2611100 812448 1671422 2219026 399635 336364 430560 375404 229825 409050 386327 415797 598560 469958 553810 556129 3840713 2889616 2403272 3134883 2221434 3845020 2302933 3137992 3373949 2301147 2511606 2476170 1973519 2179030 1876064 1913065 2014070 2034069 2020866 2131228 2133342 1942254 1865775 2160843 Cytidine 144684 147456 163007 159876 162997 153573 175713 152620 181224 168162 181174 154497 148228 153572 150778 163390 143820 146605 151272 160914 159936 149663 142708 151973 164117 175794 182427 158510 163966 225116 150590 187776 149303 203257 170648 161300 111154 122593 114743 154277 114140 120112 121096 130975 117577 128109 120680 123267 69079 66679 85885 70655 69103 70105 75564 88128 74869 66362 89115 65753 53390 52392 56321 52495 53556 52528 53771 56550 53581 56551 54285 57765 183817 182830 171558 225088 167760 172811 177509 181711 224547 174439 246888 173680 151727 149141 152149 153230 151688 152369 152708 154962 161687 165619 159068 162372 120204 134573 118192 164869 134257 120338 156493 125681 144941 136663 118339 118309 106418 101555 107648 105845 103758 104873 107304 100535 105188 94047 102235 122982 192826 183462 158178 154881 180458 163658 172912 271487 270418 184422 186905 254174 159839 167701 162286 152035 161019 158594 159531 157226 155105 155308 157453 161408 293834 257711 250402 272669 262284 304932 265992 278959 273788 249769 257630 266249 236288 259041 236956 250119 251197 253770 246126 258413 263495 240856 250784 252478 Pseudouridine 59041 62962 59413 61528 62462 58613 62691 60010 65347 61645 62938 62265 59372 58735 56665 56701 53485 61014 58261 61010 62509 62507 59529 61345 18018 19421 20372 18720 20120 21090 19859 22387 20135 21760 19686 19201 17877 17924 18339 24812 18022 18512 17969 17980 17934 18290 19269 18947 32406 34083 35703 31814 32693 32137 33353 36256 33267 36086 39240 32447 33174 33856 33609 33396 34087 33720 35607 32214 35123 34179 35393 34455 29096 32622 28997 35292 29798 31234 30866 33744 35200 32170 35583 31927 32092 32077 31539 32210 31067 31985 29875 31768 31295 30983 30676 30684 8711 10088 10303 4796 9276 7935 4720 8664 4215 9383 8968 8532 9447 9692 9274 8350 9642 7888 7691 8341 8232 8308 7832 7410 12301 12522 9154 10576 6910 9766 11417 11720 11434 9794 11413 14378 10715 8830 9249 15380 11193 15356 12301 11132 10157 9518 11828 10756 22427 20026 20207 20637 19396 21562 20814 20043 21584 19352 18548 18185 17180 18627 18373 17130 18308 19282 16939 18051 18723 17729 17738 18229 5-Methylcytidine 185606 165516 186415 184696 192156 186851 191680 184852 205357 187252 202349 186820 177051 179272 183574 188484 179942 176669 178667 180422 188059 187490 182471 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554 2376 2648 17 481 816 2628 3009 3696 3316 3558 3414 3296 3401 3198 2770 3200 3069 2390 Proline betaine 8593 9307 10466 9246 10251 9482 9864 9216 11053 10319 10866 9196 9273 9712 9223 9011 8995 9117 8986 10267 9446 9605 9397 9129 8789 8066 7950 8721 8130 8249 7782 8336 8554 8156 7991 8125 8945 8001 8529 8660 8005 8782 8248 7176 8242 8344 8162 8553 47612 48798 50219 47827 48407 50211 48982 49579 49491 48764 51944 49566 49572 50472 48923 49264 48150 49083 49161 49203 48826 49291 49151 48298 45714 46086 45673 44783 45174 44144 44325 44392 44917 45045 46057 40818 46978 47163 48740 48878 48125 49368 49649 49632 48597 50379 50281 50719 10544 11009 9814 10294 10682 10260 10532 10907 10693 11456 10655 10146 10637 11268 10602 10734 11024 10696 11264 11257 10749 11496 10850 10440 13106 13506 12966 13099 13449 13014 12770 11646 12487 13631 12889 13245 14135 14734 14611 13645 14700 13964 14460 13867 13770 13769 13063 13590 8454 9093 9042 9074 8915 8576 9384 8625 8330 8964 8625 8919 8651 9115 8786 8447 9002 8663 8315 7688 8749 13542 8976 8913 4-Acetamidobutanoic acid 27445 26241 28283 24381 25987 28265 24292 29175 30753 23676 26039 28580 27995 30357 27408 24138 24181 27364 29665 27613 29928 30484 30945 29849 6352 5743 5660 5921 5731 5734 5667 5548 6061 5148 5536 5919 5659 5621 5544 7550 5596 5693 5544 5545 5946 5826 5964 5514 22459 22196 21572 21853 20227 20595 20600 22351 22444 22534 24359 21238 23722 23705 22206 23246 23268 24219 24417 24371 24505 23895 23021 21460 21679 20336 19957 21110 21107 21227 19471 19890 20598 22552 23448 20837 23915 24443 23938 23903 23353 24587 24272 25004 25097 24307 22174 24397 17935 18112 18729 18236 16746 17487 19879 16363 19310 17444 18078 19009 20029 19205 18870 18269 18505 17299 18195 17909 17905 18261 19097 18489 14098 14136 13758 13526 13451 13711 14411 13666 14269 13072 13322 14238 17768 18124 18551 18439 17863 17569 18917 17611 17591 18772 16935 17905 6251 5655 5842 5861 6212 6450 6329 6347 6314 5615 6320 5880 4969 5639 5668 4907 4872 5016 5140 4847 5424 5114 5354 5668 Glutamine 216412 219868 130433 204685 134739 209413 123760 206980 129962 133275 126089 220502 206875 201346 214000 216293 223371 220373 227721 216836 209890 225733 233402 225420 554907 482918 471613 562877 555499 384975 571316 385131 566715 380447 486955 593106 582203 590179 589147 766288 604799 605204 599525 598540 608074 611577 607689 612888 209932 195654 107630 215417 187546 109458 114977 112760 113591 191076 120411 214952 206710 222254 213852 219233 216833 221520 216534 217661 225698 235717 231171 234480 177006 170182 180860 157630 170235 177028 182965 172821 149022 180331 156703 187710 147639 145908 144902 144693 146842 143820 140051 143822 150784 151836 145907 147036 78493 88910 80772 73691 83191 98287 77694 75364 76041 79269 99622 101156 103116 97500 99039 94836 95804 102619 97214 93290 98296 92358 98191 91541 78404 79252 63729 65711 68651 70734 77266 66477 69380 76326 75460 51201 35751 32441 24735 38600 36587 37515 32993 39965 34549 40689 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1173242 1277834 1223938 1134809 1113592 1035597 1133152 1238652 1149614 1079783 1178788 998517 1052719 1253482 614585 669323 370826 351730 409352 376446 428959 577647 628846 468444 586146 593888 520255 416581 320962 765104 568080 709849 392183 854806 428430 1024672 347260 403873 2207669 2275058 2439644 2332128 2543995 2333602 2592558 2358530 2138052 2308672 2427364 2457428 2757981 2767983 2566777 2629423 2667660 2635442 2553692 2648635 2685972 2555553 2737829 2668490 N-Acetylserine 23212 24161 17760 23614 19910 24802 15452 23860 15374 17853 12526 23536 24275 25693 26544 28056 26738 26659 25628 26956 27526 26657 26827 27298 19683 18613 18474 15948 16849 17305 16609 17236 15094 16342 18288 16901 16266 16210 15815 20413 15890 15849 15262 15520 15019 14817 15396 15412 34734 33099 27286 32610 33224 30636 29994 24547 30133 32924 28058 31487 34465 35988 37420 35504 34282 34589 36719 37607 37835 36815 38456 39216 27656 23406 27212 18404 25877 26778 27272 24577 16715 28305 17012 27228 29714 28162 28217 29190 29327 29622 28870 29658 30912 28996 29253 29443 6473 3330 5250 730 1989 4911 640 4997 726 1926 4505 5775 5577 5775 5487 5881 5856 5640 5431 6185 5934 5846 6076 5993 11607 10262 5797 5347 5515 6527 5649 11395 9517 5758 9699 10141 4858 5293 5559 5192 5924 5488 5725 5955 6005 6096 5843 5729 15380 15322 15445 14919 15139 14090 15353 17671 14872 15222 15476 15143 14095 15394 14583 15689 15041 16289 14743 14252 16272 15007 14920 13986 Glutamic acid 732910 766846 7317 703967 7610 730688 6607 722585 7197 9254 5300 738483 737632 755690 771747 787247 755267 773063 771848 799849 779179 786227 787565 807690 274315 256416 253976 277255 284304 251654 276810 260940 285786 258129 268846 291204 280094 282922 277421 396863 283472 283967 280044 280980 280411 277354 272221 269366 759378 731905 5334 741344 725297 333611 183133 5984 266770 735799 6114 735868 765404 803942 809906 766213 773892 783952 757749 790478 790458 792653 800876 800268 495713 481059 507407 435790 498573 506879 501830 462999 383453 492599 403757 614740 552397 554780 561563 566171 552353 564763 555231 568646 596228 597711 574806 587225 167878 1523 172538 1246 1185 197301 790 160846 1207 1221 201059 206389 204137 198684 209691 192052 203257 201923 200685 190907 199781 187245 193061 197875 80613 80860 70859 73616 68506 74855 87552 80380 81079 88061 72636 69966 89006 83288 69746 100203 89529 101609 82795 105291 90265 111292 86898 101523 249640 262064 279643 274997 294544 266714 295005 279353 258962 282818 295575 291374 309388 312894 290485 314085 310003 309596 301874 335469 299563 284575 301337 289124 O-Ethylhomoserine 33087 33127 36499 33179 38271 33719 37060 35012 38941 38189 38395 34383 33623 33410 35404 36289 35443 34141 36561 35371 35458 34648 35325 36220 11660 11142 11460 12097 11845 11568 11855 11799 11016 10906 11740 11562 11272 11178 10869 14712 10734 11442 11253 11189 10968 11662 11580 11698 42614 44465 43886 43156 45043 46201 46311 42293 45473 42633 46404 41466 43020 46002 44371 44383 44730 44108 43783 46298 43851 46106 45708 49042 49915 49803 50427 49483 49552 49613 50155 50289 48663 52152 51193 50536 57385 58169 55554 57780 56739 56481 56666 57840 57014 58808 56682 55626 23099 23315 24697 18667 23008 23905 18560 22984 19380 21845 22704 22907 24455 23615 23062 24018 23587 23627 24353 23451 23889 22482 23090 25146 22917 22641 22027 21499 20841 21925 21794 21927 22709 23736 22082 22133 30103 28482 29611 26213 27237 25977 27483 27601 27440 27712 26141 26662 10748 10403 10724 10861 10111 10585 10488 10077 9695 10110 10331 10036 10046 9973 9692 9853 10064 10065 9786 9403 10925 10214 10359 10483 Methionine 1920520 1914324 1446280 1870658 1518303 1900769 1009132 1935313 1084374 1449082 929120 1953212 1981177 1948164 2064629 2068991 1961770 1984827 1986759 1994347 1997665 2010681 2006645 2045801 1072072 1104183 1081608 1019407 1050986 1095329 1095266 1140524 999498 1065874 1052091 1013311 939733 967290 913965 1214237 957044 972402 936841 947256 950083 988182 977576 997454 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9708 6996 576724 567823 579763 617841 624989 586111 579548 608774 625490 599732 586928 627015 614290 124079 179673 186530 116824 125296 458553 127791 474685 124783 426035 176659 117968 110991 112226 112971 135007 113773 117345 115018 122373 117830 116243 116390 118824 745655 742589 12004 761623 712671 75916 11326 7932 15203 725504 9463 722520 776882 833411 828332 800847 789236 789902 766546 857706 816648 845104 870100 862885 372399 542421 380177 962634 362831 383569 382841 516210 944403 401138 1036014 590204 392534 397420 411259 417139 410714 412023 412103 418628 422813 427428 411082 422178 237876 3960 283453 1819 1828 243993 1460 237691 2201 1993 256322 285337 278761 263379 247088 234238 255569 269574 259357 236350 261894 225461 236363 298416 214666 220521 52034 52093 55944 52988 60933 198980 226626 62511 206650 211121 64603 54091 51286 82004 68941 80158 55678 88579 56457 101948 46859 55598 502032 180124 120369 178281 119571 483451 117884 195726 464555 125559 123144 118146 113274 116083 111691 113297 117254 116010 112875 122400 113106 112774 111983 110774 N-Acetylvaline 1034932 1016192 2896158 985443 2699869 1151209 5290000 1082633 5618866 2467537 5678639 1161264 1139709 1118616 1072858 1021836 961071 1023045 1188523 1056542 1170394 1161643 1202708 1140907 830918 724411 791223 738746 746482 794397 755059 748171 690862 749048 693875 697763 627451 578709 668121 815777 677493 716607 714318 712015 638830 657062 725866 713133 19598918 19918322 22666361 19707763 19308264 19625269 20219369 22793236 20769664 20132084 24482488 18968513 21272605 21678037 20617301 20944238 20349041 21270493 21216134 21829256 21451708 20648857 21006277 19372019 29888849 28844479 29580052 29556601 29109119 30573339 29163323 29016834 28955444 32744512 31503381 29465480 36918981 35779724 36904937 36509145 35492013 36579043 34513793 36514246 36491743 35842783 33209816 35574812 918995 2667604 955393 5703222 2648665 876271 5916298 890380 5591098 2575973 868741 873000 807472 798253 797657 791011 785147 740721 770476 724894 803709 834157 769247 804614 961736 974301 820722 860199 997415 889710 897269 917647 901611 859832 1009077 1019094 945234 842107 900273 922359 881673 934684 815261 819368 848333 905639 801156 879400 825460 718631 701951 760421 746529 815114 710223 825315 756431 710943 720877 728330 580685 688172 676136 691802 617206 649473 649758 595190 625196 672026 637745 606312 N(6)-Methyllysine 18297 18330 15121 17552 16479 18750 15135 18744 15768 16491 14606 19354 18644 18842 20259 21076 18876 19483 20640 21319 21062 20757 20999 21236 6087 6098 5899 5839 6348 6180 6171 6419 6163 6052 5946 6368 5803 5652 5456 7144 5420 5790 5581 6216 6029 5870 5945 5524 14103 14406 13871 14019 13794 13682 14383 13171 13704 13613 14492 13588 13821 13976 14370 13843 13095 13711 13856 14339 14556 14812 14342 15306 17746 18605 17599 18377 17076 17737 18281 17399 18713 18767 19713 20591 20557 19293 20829 20878 21094 21005 20332 21090 21246 21962 20455 20762 3596 5126 3696 4108 4610 3161 4009 3305 3809 3350 3418 3500 3636 2936 3284 2656 2817 3035 3095 2694 3191 2929 2950 3282 4312 4196 2144 1803 2359 2229 2442 3960 4108 2487 3574 3747 2327 2162 1338 3090 2348 2945 1966 3424 1971 3987 1628 1815 5872 5971 6011 6087 6282 5904 5992 6898 5779 5427 5662 5363 5510 5903 5408 5280 5812 5748 5266 6447 5643 5577 5996 5869 5-Hydroxylysine 1413 1425 1361 1007 1491 1275 1608 1311 1665 1294 1415 1226 928 944 1264 1361 1369 1193 1234 1447 1461 1160 1314 1310 27451 20050 19536 28518 28115 18636 29109 18937 28491 16431 20173 30842 35610 35355 34858 75743 36829 39356 36968 31991 37636 38022 35751 37525 15466 16814 17174 15486 15209 16254 18823 15957 17424 15304 17653 15187 16920 17884 17664 16266 16561 15845 15948 18783 15766 19067 18165 19091 17036 13581 16713 11305 17526 17637 17336 13283 9737 17330 12113 18716 20756 20249 21171 21470 19723 22358 20522 21209 22912 23346 21072 23443 70 32 61 74 52 124 18517 23171 30077 23713 32177 19163 33520 23217 18340 27435 28756 30281 41131 41360 35789 37402 38672 37686 35830 35844 37307 33552 35015 35621 N-Acetylcysteine 44121 16731 569952 27928 373526 25873 3094233 17731 3242432 358527 2928621 6382 18536 24725 24666 13189 8153 26604 20630 21514 19420 3578 2963 20118 65795 92060 3282 15321 124833 28887 72276 2566 320380 112431 9646 3071 6857 3645 5248 6862 12859 3256 2991 5661 5318 29770 11824 72149 24852 21577 2899 22774 2996 24895 24942 33316 18165 21395 5739 12383 19446 18253 24955 19892 13619 18153 11562 79307 209990 48108 261709 44781 83646 75075 138883 190333 58751 74700 89444 31965 3621 45736 36074 20042 12346 12204 12455 74050 1030322 32298 2411612 1086281 56162 2362399 41204 2187282 1105692 38721 40319 21514 13704 7906 7612 27583 6341 27745 23422 6979 13953 5443 35306 65517 30344 69018 37684 49765 60325 75765 85786 42922 75050 47662 5577 8241 44052 6424 9102 8183 6966 71649 155222 103137 161334 25359 257433 37799 36422 299864 93938 106684 16104 10563 3069 6593 4559 11443 10354 3312 7352 9929 3535 Methionine sulfoxide 499948 512735 483158 486331 505328 493673 460848 512946 496559 513972 475376 499555 512014 512378 527023 541045 516383 505764 527331 532934 524947 533170 536751 532422 87412 16292 11310 205663 87920 6961 104990 7590 187641 3239 19634 206093 232465 239358 231713 317529 233801 242641 239645 251493 239420 243996 243974 250719 350697 359287 359216 349895 343082 362686 367359 359921 364990 343657 394063 340485 356024 374445 360370 358235 363813 355334 355393 366861 364076 381255 377548 380117 224710 13379 221512 10859 213341 130486 117610 19350 12149 126401 26637 21354 271175 279680 270948 274641 289318 287134 293473 297900 303895 302843 291260 291414 156574 167054 161084 85599 157784 146695 74352 153776 82134 154022 155398 161729 162824 159316 156012 151195 157877 154540 156397 149278 153479 149745 147909 166626 53758 58949 127432 67351 166944 66439 72797 55139 56320 138015 51405 59940 180745 175030 181030 150539 155951 158211 163282 163270 155049 173130 152726 155440 7427 14570 86763 11901 200789 4973 204991 26227 4318 86781 108492 202144 252330 246247 232711 245564 249623 249385 235459 258198 249001 238150 250339 240022 Phenylalanine 2550287492 2564687455 2386880683 2492650419 2423383911 2500171133 2436528329 2533831228 2465425256 2395049004 2411565193 2531273777 2457865484 2529238778 2591907033 2579574154 2498539567 2575547953 2623802699 2612772133 2588305788 2612975532 2681159000 2618234941 1622470080 1620293252 1619559631 1634884801 1632285458 1634837869 1679248675 1637496658 1633340333 1605388262 1577530858 1675732769 1599112128 1587025951 1577207702 2026130338 1594181117 1627188180 1598705205 1604352912 1618956337 1604520542 1599890575 1669776881 2207950158 2244432205 2294771537 2191794471 2213199515 2210792704 2320421722 2290009769 2271093354 2239423596 2501634323 2203719268 2260067387 2273747383 2301648992 2249132548 2255905295 2210993970 2264596369 2348856159 2307619230 2315634553 2381867204 2366319955 2455945119 2499934935 2402125948 2466716621 2341954844 2414049532 2390692375 2480903032 2442771958 2480260878 2516892210 2407091082 2507546304 2524092343 2525217256 2549107066 2520572319 2624205113 2530720763 2581595513 2577283090 2649550165 2525707744 2557541941 2155095574 2104329178 2228169025 2100855963 2042675150 2167802588 2096388007 2116254955 2060166178 2044236203 2104821119 2182815311 2168654585 2141658657 2116300941 2142289990 2155068805 2076560759 2177605883 2056091035 2121543771 2068348021 2089105907 2199845815 2058752518 2139079598 1947284261 1956782566 1988914470 1919980760 2008731056 2108651041 2092632064 2063626105 2024916685 2152716950 2103588441 2113245770 2084685800 1949177850 2056827036 1917737736 2087934142 2038147367 2000619698 2081728442 1915508947 2087442182 1594357670 1601245187 1542253828 1589537260 1596026738 1633266829 1621182818 1612688375 1582276386 1507476968 1569477874 1553058942 1574424345 1598929341 1530317831 1568923503 1591004220 1586192956 1496747004 1549516571 1635179556 1503302712 1618211099 1584576855 3-Methylhistidine 30664 31593 28678 29987 30565 32021 27069 30771 31097 30012 28400 31016 31175 30088 31685 33156 30675 29737 31487 32208 31542 31363 31540 30608 26179 26564 27285 25461 26010 30961 25560 31356 25747 29368 27177 25997 23600 24129 23896 30840 23639 23559 23332 24655 23458 23240 23651 23459 138380 137916 118945 138222 136070 132330 136118 116243 131074 137309 124932 134791 138559 148688 144859 141031 126167 138338 138519 145579 145328 147886 146289 148160 101185 109731 99933 106726 93646 93373 94636 99276 102883 99847 112596 111750 107200 104414 105456 103258 101182 102729 98562 103480 103538 105572 98590 99305 7122 10226 7839 5278 8924 6051 5207 7258 6005 7803 6620 7603 7242 6902 6692 6316 6734 7087 6786 6035 6968 6111 6276 8579 11422 11328 6801 5969 6816 6406 6832 9656 10757 6368 11151 10907 5330 4950 5417 5133 5070 5360 4964 5207 3597 5804 4049 3170 31864 28227 26774 28089 25396 30792 26648 29668 29995 25924 25407 24958 25655 25983 23927 25527 25635 24909 23479 27344 25887 25783 26986 26622 N-Acetylleucine 27658 31127 109287 28286 102197 30947 157989 29317 168530 97636 165131 30129 25594 26127 27246 28915 26745 27110 28447 27819 28395 28139 28136 27987 9933 9736 8740 9374 8973 10640 9530 9826 8359 8895 8764 9247 7907 8418 8122 10981 7743 8413 8203 7854 8180 8350 8272 8591 62287 66819 168036 62655 65946 94231 113949 162202 105227 68029 165259 62191 60036 63465 62910 62338 57602 61094 58445 62492 61302 61558 61241 59275 52336 53914 51610 53251 50693 51612 53548 55744 53253 53938 57735 50070 59354 59657 59204 61301 62891 60532 60876 61429 64630 62909 60182 65248 29186 134753 30728 194950 131643 23792 194736 29035 180419 122516 23771 24209 19730 18454 21175 18581 21372 19398 19735 18807 19706 18896 19476 20150 18049 19080 15623 16734 17880 17356 16583 19775 17878 18189 18684 19999 16538 15819 16553 15277 17964 15441 16081 15749 15299 16727 14744 15670 11156 10170 8953 10948 8752 11262 8871 9697 10694 9134 8452 9606 7786 8744 7930 8372 8325 8971 8305 8124 9003 8091 8262 8510 N-Acetylornithine 99410 100943 53280 94057 55469 95550 96015 94792 97649 57349 102071 100212 98504 99253 103730 102165 98329 100241 104945 102302 101164 100243 103270 101686 140582 192554 192775 135776 146492 272279 145437 274167 136645 276623 197830 140215 121888 124878 119804 158657 122096 123425 124957 134480 121715 124939 121245 124972 632796 641385 641688 648803 621952 617784 636559 652024 631237 624681 681324 629447 658966 675548 665466 659141 664286 671519 671660 688172 687961 696751 694881 690713 400978 439123 417165 494189 388524 403555 404165 427497 502337 410681 514965 439219 435326 436230 442496 437576 440145 442400 433065 442401 455651 456237 436922 450907 39593 35727 41502 69389 35622 40087 72349 38255 71366 35130 41013 40618 42060 40663 39735 39757 41211 40782 40795 39025 40192 38334 39566 43049 252981 209903 49610 53857 54281 53702 57633 401354 417144 53233 298319 431958 23873 24333 25868 22491 23995 23288 23605 22631 21572 23103 22418 21834 244713 171865 134720 171707 132581 245841 131564 173891 230161 129308 133353 129029 117445 118885 112550 116289 116289 116360 109975 126161 121485 115494 119970 119078 Arginine 7860817 8263725 8648438 7826693 9110243 8202222 9866680 7890865 10495738 8968718 10107888 8088754 7918385 7947447 8513528 8810900 8025162 7974452 8565942 8557634 8452899 8159107 8607737 8401856 58893144 38892928 37357650 63685706 60044549 1810952 61979034 1138364 62908368 2455403 37866375 65070794 70720971 72829984 70857704 100791616 71526146 72575997 71970696 84445162 72586171 72517658 71707822 73672690 3175152 3331161 4579046 3230764 3232804 4170045 4658834 4428624 4333248 3309420 4840212 3060976 3150231 3475832 3384868 3268279 3363825 3199675 3135828 3515330 3377399 3554581 3538184 3556515 43635069 23211667 44620262 411917 42923846 42049237 42536320 22873170 412373 42903580 440586 24014933 47891750 47131612 49460508 48689481 47484843 48537624 47260581 48236406 50806356 49838744 47551406 49274878 3761044 5935627 4320194 5368301 5444643 3552830 5551712 4002609 5647266 4902969 3706801 3947578 3806037 3605038 3489302 3296846 3509773 3619186 3493176 3239165 3505335 3156026 3232755 3872633 118634 1030813 20404548 18945298 22231107 18871740 21015818 209490 149477 23514884 203265 106497 26378082 23713793 21290551 31931650 27804497 31051657 23198969 33672737 23460291 37050145 21183592 23580720 342400 36942861 56257786 38307568 61258363 778072 60973787 42264117 616412 54499306 56543226 57679328 67680968 67355290 64329200 66090292 66843986 66482904 63817130 77811466 68307794 63342561 67807361 65317815 N(6),N(6)-Dimethyl-lysine 203382 207201 193360 207705 205168 209907 209085 205781 221049 204190 209339 210383 207357 207043 221380 229418 212480 211793 223045 221868 217020 217053 220943 218555 46856 46247 47178 47318 47117 47128 47099 48186 47922 46457 46123 47466 46246 45756 45108 53616 45669 45847 44708 46454 46282 46560 46333 46245 156174 159626 158509 157139 151500 155282 163707 159185 159151 155639 166583 151759 157940 163920 161604 158504 142776 159901 157084 166897 164812 171611 169870 171933 156088 159846 156315 154716 150621 154283 153599 153884 156397 159157 165773 164257 178913 176657 180400 179584 175006 178948 170812 180880 181370 186626 174743 177541 111005 156552 123382 139996 141378 107317 141494 111821 143224 126223 109159 112739 114159 104247 106564 102299 110620 107401 107673 101457 105414 99272 105844 117932 76498 81127 46719 47163 51618 47888 50815 72157 75228 49309 75830 79636 60250 58365 52956 68625 62618 66934 57000 68731 52614 75219 51019 50317 49676 47816 47044 48881 46281 48880 48090 51911 47215 46025 47539 47454 47391 48317 45599 46466 47692 47683 45473 50570 47075 46471 50019 47915 N-Acetylaspartic acid 26213 26588 20263 25673 23370 28471 12124 27858 15514 22749 11594 27609 28472 29018 31709 29917 30829 30610 32120 32337 31848 31275 33182 31899 11388 10620 8603 10038 10835 8266 11119 8207 12311 8845 9326 9827 13756 14466 13359 7583 13405 10449 13027 13154 12119 11295 11140 10246 20320 22188 22334 21196 20810 17799 21058 20810 18959 21006 26897 17638 24204 26771 22950 22700 22244 23585 22838 25542 24459 22805 25129 23524 14758 11473 13175 12345 11958 13138 13485 12514 8993 14222 11628 11047 13455 12904 13929 13382 12891 14519 13122 14456 14217 14671 14698 14888 3391 2083 4664 695 2295 5193 451 3962 265 2396 4185 3546 3236 2902 2967 2987 2846 2809 3114 2567 3027 2775 3131 2997 1148 1171 870 1108 1263 1298 1334 1866 1604 1640 1679 1410 831 703 680 509 644 903 417 485 639 844 686 703 8746 11051 12229 9852 12221 8864 12962 10031 9119 13283 13103 12464 11520 13343 13855 13479 13118 13117 13819 12703 14443 14940 13198 13192 Citrulline 230148 237018 205998 214319 223436 215327 202019 216816 212098 221307 205404 236639 234191 227362 242618 244594 234789 232877 242980 236930 239422 234841 246507 239790 3524357 7110190 7273359 2302631 3873099 11611757 3194926 11530167 2972096 11322979 7538881 2774433 121919 116707 113265 169368 113301 117311 112413 120566 115672 116296 115027 115577 734373 710108 483420 756223 708719 671094 710678 424484 684561 693955 463267 725081 772958 809671 790411 781614 791204 772179 778099 812284 808128 826679 830722 833080 2828807 7728115 2430637 10630923 2489671 3211469 3656867 7873501 10096231 3030295 10855327 8493264 464850 462396 470998 466287 474286 482909 458751 478428 508722 500985 462230 492375 384016 398222 400030 308115 383773 388093 314658 375170 307119 365008 395469 409813 413298 402868 393219 391439 404146 403954 399782 381471 398887 378905 384706 413086 10847319 10757645 2083259 2615594 2054850 3029114 3384271 10739610 11204671 2582084 11083555 10717180 84819 75233 70909 74574 74187 75846 71252 75656 67227 79302 67408 70959 10772232 7265642 3729898 6881809 2407832 11216420 2231068 6571448 10231878 3083386 3009781 2556742 326903 325463 301929 318150 313329 315428 298235 338471 336419 305217 331606 317373 Tyrosine 369368164 380383197 296668205 361183814 308165907 372054470 320967003 374055303 330048891 295609301 320967665 374763691 377650887 370124191 388341879 401782517 373664153 377614468 398437667 395804828 392375694 389528629 393351201 398121350 274016229 271400183 267992519 267959851 271792749 287627741 273020804 285959792 263492812 274965750 258985742 274849479 251793613 256571198 251252537 355567079 251795995 260681850 259321401 253430906 257302004 258431888 257169118 268253089 517985372 516902538 504762695 511661762 510277591 489301823 504930594 512110547 505314908 514332527 569791659 507821741 526588183 530022320 538361166 536598269 529741440 522616894 519652150 545672308 542897365 547796351 539934111 551836760 584044914 595852124 580146265 589774429 566919959 573680020 575079334 580995147 588525307 599393301 627930921 590727999 651826731 627323326 635336829 646949540 635208983 633406762 623555107 650435740 672436848 657241649 632820166 653656002 215715418 198631834 223950343 190364795 186784155 215963765 186729624 213468255 185029828 191882065 217349707 217185147 221354976 217838475 215441281 217894658 214804695 216874025 219048863 207517220 209885790 206406667 210037858 221816130 235146007 238238507 197436813 199360099 213473828 199202468 213526363 242503954 241956282 217698255 227849206 245815524 207631882 208242209 195390148 199493210 199478076 200879576 204718127 196364896 192192790 202245680 193693704 200388255 259164936 253825157 251649876 255887118 250338363 262311986 253660973 261156151 255227413 243139604 250127291 243453978 252518813 249318226 233158600 247837173 240749624 245461135 237558235 251744286 253642209 233434460 248111453 244187091 N-Acetylglutamine 79233 81130 79959 77937 80805 80297 87297 79816 96897 78011 92387 78180 88785 127056 101228 137808 79672 82281 82474 99033 130855 84706 82600 83643 23263 65685 68232 16175 23390 96904 21610 102060 17878 93661 63401 17910 3025 2989 3196 5992 3014 3492 2998 3022 2786 3754 3383 4228 24899 24045 16472 24157 22154 16439 17934 14703 17258 18682 17042 20435 22937 26595 24925 23830 23993 23305 23569 26899 26807 27001 28138 26893 36843 106210 37068 111751 38122 40469 41424 106771 92555 42145 111462 112631 26970 26323 27168 27095 27471 28923 27884 29498 31996 31342 29013 30186 14917 17013 17541 13311 16303 16330 13117 15199 12762 16590 16937 17132 18189 17577 15956 16158 18041 16761 18322 16924 17421 16256 16276 19399 74311 62251 26569 27306 29528 29605 32054 54197 55853 31710 63151 49530 17414 19131 20032 16043 17789 16546 19388 17791 17997 19889 17592 18419 85854 70228 25297 64384 18212 91840 18516 58820 80739 21155 20991 16792 3513 3291 3260 3412 3145 3481 3048 3434 3314 3203 3081 3627 N6-Acetyllysine 306253 310955 263509 277848 267180 277236 273921 284345 278722 262841 277564 309729 318932 333315 331341 343105 312202 314499 319100 323282 337162 314189 322388 320501 85259 74991 74692 86593 85958 62296 87170 61856 86715 60251 73237 87171 87812 88572 85646 108411 87918 88774 87767 94976 90018 87605 88765 90514 334897 313482 289062 340518 312749 297650 309656 297855 301519 306767 307583 336830 355886 358415 356170 353658 361104 360837 358988 365150 363855 365871 368202 363936 311967 286794 316997 255179 304484 309081 312704 277433 265923 312901 265841 273816 344982 346998 348460 345361 346803 350446 344270 346760 363378 363280 350436 354493 113581 99545 114916 96664 98563 110954 98872 111575 98448 97277 113297 114908 115211 112725 114099 110887 113150 113155 113090 110769 111271 110575 109492 116895 80669 83479 94168 93415 100104 93658 92395 85133 81867 100072 81688 87054 106134 109152 109484 100150 106554 104344 105939 100201 100278 105372 100274 100243 61722 72951 76486 72311 81048 61791 82762 75586 63356 78072 80584 79197 82252 83078 81077 80761 82142 80306 77415 86689 86183 79413 81913 82994 Homoarginine 411671 357681 531396 449849 487463 526589 583434 491744 506635 570906 577262 494760 427234 405964 439302 522987 423051 462900 407644 423006 445929 478772 438452 426006 13951 90153 138121 23396 20277 624415 55540 606281 12805 427483 176822 33741 512 6152 5548 54140 4099 12031 4267 581 1695 2928 5077 1634 311748 305749 438510 304286 322364 396634 425212 412467 358982 329563 437303 299473 339959 293386 323918 316897 316197 274214 308357 313902 299233 391108 354330 354882 61024 321335 43013 790680 34692 9549 51901 355165 571515 19243 727348 607385 60434 51420 29653 1446 46034 18146 839 6908 52030 66914 1390 9865 806636 1179244 902815 1099003 1223805 820551 1111144 870111 1139617 997896 813520 841263 814255 811310 697490 721724 775298 709406 689610 691847 728764 705832 711049 796696 564048 650477 15019 25296 43262 50821 51409 497973 601410 88303 557020 516549 23549 30640 61474 28336 100826 59503 11398 53912 24585 43475 76988 67527 412338 296733 94024 243278 62625 784642 61608 229988 657534 63747 107987 22250 19566 45343 20924 38671 32851 59145 10651 21071 34212 35292 49216 Targinine 48738 49468 27554 48901 30045 50389 29987 49260 31339 29595 30471 49309 49444 50001 51227 51090 49314 49607 51238 51247 52756 50232 51979 52255 14119 14699 13843 13889 14618 14138 14257 13657 14786 13599 14350 15763 13283 13630 13161 15465 13592 13529 14205 11450 14012 14317 13272 13644 16324 16553 13738 17199 16705 14377 13810 12718 13629 16630 13859 16997 18085 17547 17426 17750 18183 16830 16933 18589 17482 17665 19205 17839 24090 27429 24501 24479 23095 24106 24222 24468 23809 24480 23572 25466 23128 23646 23146 23160 22992 22988 22181 23668 23658 23859 23491 22991 43889 31968 49252 26841 30192 42898 28284 45498 27380 27345 45451 45657 46533 44252 44249 42971 42911 44335 44586 42836 45048 40656 42727 44722 30443 33705 15388 16430 16419 16336 18045 28428 28558 18980 29829 29499 21912 20247 16520 28601 22973 27590 18332 31012 20740 32636 18505 19713 14220 14523 15365 14527 14228 14893 15934 14096 14584 14158 15398 13821 13929 13803 13180 14048 14283 13804 13269 13129 13873 13282 13729 13799 N-6-Trimethyllysine 581424 583448 587508 594902 600716 609028 601353 604085 637524 597221 624088 604080 592260 604230 623433 621866 596794 593164 631698 638145 616344 612733 575198 568376 135812 131767 134404 135832 137581 131023 141158 130019 135320 128796 128103 138812 133751 134755 132375 157813 135220 140879 138875 130117 139980 143214 141603 146118 388667 396860 398715 378258 380606 373899 406910 395659 379459 377623 420619 380821 363167 403163 403097 392098 312235 398573 395334 414074 398286 422255 410008 397854 452395 457925 457982 449405 446759 439728 445622 445685 455556 478871 476715 445982 538443 533702 510369 529672 528950 550313 523390 544859 553313 563597 516276 549298 356726 454313 405563 441559 424454 298649 437365 371375 416794 407156 380547 352760 378300 342962 382593 378791 381919 342100 352842 348536 371303 336779 381385 356949 231372 236341 177246 176832 199245 175012 189004 248567 241233 193977 226082 261580 243807 246120 231052 278934 243296 271398 246913 262302 242917 277348 225856 231822 142488 134760 141013 142829 127784 139701 143048 140522 130464 142117 145888 135065 141704 144986 135509 140454 139697 145610 138124 136741 139903 140564 140420 145331 N-Acetylglutamic acid 317269 321499 272726 284042 289632 294310 176624 293824 200973 282731 162268 313981 315186 324064 340927 324416 332331 336848 345787 341111 334423 341438 343616 339270 545571 1741398 1715685 260347 558731 2375575 499637 2267060 303545 2149706 1728464 309230 95113 97105 95230 77547 98668 94976 98743 97658 100539 110609 110831 113084 201472 189148 318301 207315 180730 116494 194589 315604 146323 191585 336706 204880 215913 224826 222712 212550 198333 210415 202290 214239 217395 211814 220109 211441 311529 992360 306112 1021190 300582 383111 395238 1031243 782531 378739 1011976 849774 232578 231382 240810 242343 240720 242146 235222 246636 253331 258148 246129 243377 207269 196763 221356 87162 195439 227312 82451 218166 77827 193826 239032 241336 248529 235515 246978 244866 246384 238267 244154 232509 239179 231541 247816 248834 565300 581554 135150 198226 155521 221678 237314 470218 450995 159685 617060 402442 73273 76389 73932 71146 72797 72713 72072 73429 70291 71699 69969 74644 978950 837944 446352 829435 245920 948637 264761 755342 786470 405451 404741 251591 69531 81928 80911 80685 80175 81710 80034 78571 81834 79474 79109 82314 Homocitrulline 15362 15898 13749 11907 13210 12988 15476 12873 15597 12858 15736 15116 14927 14669 15391 14942 14954 15002 14300 16055 15340 14117 14928 16340 3614 3281 4334 3078 3609 4884 3705 4748 3668 3801 3367 3969 3394 3718 3239 5660 3681 3260 3574 3875 3226 3381 3355 3381 93146 82880 88214 93094 83800 79065 83455 83624 82888 81505 92992 91528 98253 100494 100161 99422 101241 96400 96515 100936 103825 104713 104619 102191 59280 53803 55868 52867 56032 57555 56616 55739 50715 58597 59351 61311 66493 69984 68087 67680 65824 68651 66847 68083 70351 70362 67153 70842 4125 5371 4344 4784 4823 5776 5112 4712 4971 5117 5572 6065 4932 4859 4813 4695 4520 4772 4862 4567 4756 4783 4772 5297 5407 5673 5131 4889 5260 4478 4958 4850 5340 5874 4922 5185 5698 6188 4924 5367 5524 6110 5496 5430 5637 5695 5497 6044 3440 3952 3941 4265 3791 4450 4777 4317 3705 3728 4558 4331 4371 4912 3676 4692 4554 4298 3734 4211 4898 4499 4338 3717 N-Acetylmethionine 24240 24760 32776 22870 29277 25443 85609 25491 94813 24956 92992 25509 24775 26981 25174 22452 20719 23119 24722 25018 27769 25038 24714 25869 19358 24116 23736 15537 19719 31571 18960 31259 16378 28909 22585 16359 13512 13302 13328 17857 13607 14950 13155 13838 13703 13259 13727 13389 18329 18393 41942 18789 18746 19109 22214 33740 21310 19862 35590 18024 19059 20665 18893 18941 18239 18867 19289 19720 20007 19579 20184 18866 22829 35428 22161 48229 21529 25722 26117 37002 45222 28518 49390 37752 22399 21044 23139 21942 20520 22523 22937 23679 22957 22151 20676 22431 24849 100613 26782 124428 95538 21702 107286 23533 110000 91604 24070 24560 23331 23053 23154 23128 23297 21242 21612 23472 22164 23314 24267 22339 31976 34558 17194 19917 15210 18574 20857 29616 31495 17864 31275 34529 14480 13167 14020 14129 14203 14726 13727 14134 13372 13947 13991 13772 29100 25656 18688 23388 15336 30627 14770 22777 30958 16762 17199 14682 10883 12667 11957 12436 12294 12631 12410 12253 12295 13140 13616 14328 N-Acetylhistidine 19354 17705 414 20702 386 19783 410 21016 168 313 558 20449 19204 23434 17814 18952 22028 18147 21981 18884 21269 18954 22434 22596 13047 24109 23888 9103 14942 33951 10391 28038 11171 30525 20761 10694 5188 5284 5612 7075 4877 5265 5164 5807 5403 5312 5780 5266 15398 14070 499 15535 13430 6320 3457 519 4370 12654 538 14665 14716 14183 13192 14779 13846 13798 13669 15189 13494 15292 15123 15011 18828 24115 20935 29626 18487 21675 21677 31300 32166 21175 32056 28873 20054 20392 18374 16645 21035 19363 16793 17908 19724 18407 20100 18525 16942 349 17642 271 342 10739 318 14438 373 482 11953 12655 12463 11461 11223 11753 11676 12143 12721 11956 11453 11654 11552 13669 16389 15200 10587 10585 12794 11906 12481 15412 16792 10492 15510 16642 9223 9409 10529 7955 9506 8858 9550 8575 7871 7786 8270 7064 27395 22904 11572 22432 9158 32423 7785 16596 26663 11599 9447 9720 5076 5062 4898 5166 4599 4919 4621 5485 5042 5240 5241 4996 Symmetric dimethylarginine 7661650 63827 6621244 7302107 6483811 7576942 6737273 7531314 6588425 6716372 6562378 7459469 7330380 7459518 7495101 7564869 7583693 7482954 7461432 7597898 7481683 7160804 7399187 7522112 2358467 2333220 2430493 2323198 2449662 2367148 2290117 2388174 2393118 2205515 2397927 2392824 2484466 2468411 2268758 2588906 2339122 2384271 2297355 2519899 2320330 2268270 2277731 2328121 2833525 2832444 2894128 2844523 2894316 2712858 2758839 2720214 2713714 2728390 3080504 2754253 2823828 2832654 2976272 2842033 2888982 2912713 2897977 2900186 2896758 3054520 2975030 2801323 3277328 3384612 3382095 3160483 3171135 3198731 3183732 3099369 3232019 3325706 3304311 3015498 3286768 3243490 3367895 3380634 3414742 3306935 3420080 3281865 3425376 3569449 3357045 3450123 2424774 2436591 2431580 2318139 2588553 2347187 2360705 2431770 2496172 2388560 2203322 2328586 2388311 2211168 2167756 2279368 2294106 2264809 2346129 2183986 2325831 2185033 2328658 2319155 2074978 2249254 1811147 1826396 1802294 1835958 1768662 2021025 2176785 1872481 2035983 2371418 1854920 1832336 1777758 1949980 1691133 2074477 1877884 1914310 1733368 1953524 1873060 1628377 2323862 2224113 2435650 2379923 2414414 2449188 2439650 2847027 2396213 2321023 2490570 2491763 2397911 2506880 2320009 2546826 2441108 2587360 2568734 2935059 18697 2625716 2792050 2526023 Dimethylarginine 64536620 65533989 59885456 63397264 62152252 64303620 61101958 64625771 62968746 60776383 62433882 64995530 65315989 64944896 67384376 67742769 64194928 66032550 67289688 67624865 67022587 66295649 66961046 66116156 21341361 20280562 20749157 20548201 20427666 20202374 21592301 20296693 21168200 19714249 20197635 21419224 20875187 21246120 20505405 23174946 20675857 20920349 20555218 22258024 21093153 21202065 20731188 21435742 34012665 34578528 33807294 33862268 33735364 33840528 34667462 33747589 33992724 34129804 35465816 33471367 34180094 35115707 34880019 34532352 31995556 34572809 34957603 35236212 35506383 36493053 36104077 35965070 37103286 37291275 36949340 34933095 35981385 36413314 36502796 35390244 35571192 38446253 37323128 35991900 41009862 40242088 41723658 40926550 40266038 41553656 40537734 41498892 40917955 41290648 39542136 40423085 23495295 26368301 24931014 24699060 25006353 23423611 25598068 23403806 24789630 24503714 23468170 23801334 24277729 22684183 23140486 23220272 23592099 23531003 22978436 22256348 23189654 22312503 23177526 24103929 22442962 22983154 17863166 18179214 19366174 18943941 19722207 21890035 21311882 19773804 22124184 21629296 21141731 20598302 19360046 24230181 21373331 22831831 20539965 23508724 20411012 24468339 19929431 19605972 20848687 21421044 21654211 21690990 21686917 20422195 21940836 25004978 20231879 21616284 21710180 21081476 21393140 21853339 20878769 20605783 21424215 21231931 20379662 23030178 21210590 20560239 22922898 21617029 Tryptophan 1144778256 1144284206 1018721702 1157378219 1042601413 1168475295 805349218 1155428187 809170433 1056536649 743015304 1162968936 1138410207 1153350938 1191561670 1221250199 1145348637 1175760027 1219620602 1201151242 1190598292 1170411939 1177351821 1174829603 413302054 392969469 386204787 404769945 401414986 392797728 409399027 391383329 394802241 373458512 361946356 404407466 379214663 387535088 381660724 497354810 383925435 391799271 391711612 381731962 387039435 389900416 392662848 394321577 815762835 825417521 720360677 816339749 814969596 778729998 803012419 768061253 803972540 818669675 856581799 814271416 827443894 857552598 863995275 845806506 841572592 825602232 831791846 864379646 847768463 864145946 877373139 876148668 989429608 999799664 985253563 995111839 947268110 957601015 973891783 976353995 994440752 1002302100 1052033525 999007466 1084708237 1072855195 1094275913 1080095025 1064712782 1107627370 1055552607 1078590258 1146358095 1128570110 1096872133 1110897794 965148625 574219209 974957338 4379210 505754042 953060272 4427735 926509021 4561165 527677793 975065989 979612439 987142529 948884997 962664141 965374899 978838519 947427927 987144514 916832270 960560175 901216593 931880896 992085763 790579113 792315143 744108075 746856765 801195940 766453383 788610155 799772784 816613758 828376201 792742104 837955422 898045708 903456842 865195948 848830467 866541411 876721902 879155532 859474376 862287479 875041491 875314631 914953985 381962361 376971265 389021822 385728880 397780066 394229566 395635046 386464562 376305686 386162667 388872306 388233798 397907070 396904009 385247812 383891922 384142691 387755086 372789064 386515964 389225846 371286136 390120007 384385595 N-Acetylphenylalanine 64762 66138 240438 66014 224973 72472 373711 67996 414573 208005 417037 69422 63220 63788 66395 64985 62535 64502 68561 66725 66980 67027 68560 67512 35393 62575 63550 31731 38037 105555 39238 103165 33490 94674 62374 32192 20093 20165 19323 29007 20201 21319 19938 20336 20710 20111 21193 20799 70319 72701 364931 71129 70973 138734 169959 355150 161843 75608 371085 66498 66217 68404 66780 67227 65279 66067 65181 69715 67993 67410 69963 67421 88681 144716 88610 198564 87545 93535 93978 143558 193844 100098 210454 153764 94598 93801 95060 91822 95065 96514 92676 96240 99063 98172 92332 97398 44091 309176 49232 515046 311520 35258 524852 46270 465661 308287 35787 38321 30494 29278 30322 30582 30322 28167 28658 28702 28168 27053 30712 30458 114599 121900 50755 55003 53860 55144 61198 116445 117887 59013 116337 120362 46203 45984 45041 44236 42541 43577 40573 43551 42305 44206 40093 42572 84821 56014 33983 55932 26482 91016 27347 56858 81626 31613 29329 27624 17429 20021 18031 17409 17669 19365 17970 18139 19109 18489 18517 19787 N-Acetylarginine 56637 58866 111368 55118 125868 55053 73722 57021 76373 134900 74565 56521 57427 57240 58214 57728 55423 53864 57031 57103 57503 56358 57812 56996 29262 36586 35228 27347 28579 42786 29089 43346 27513 42093 36237 29028 25390 25605 24525 32929 25924 24689 25794 27381 24749 26395 27350 25077 27811 28229 123912 28045 31548 69694 99763 144551 81865 30155 159935 27270 29419 27617 27992 28763 27151 28106 26851 27202 25736 28073 26718 27909 58229 64931 58541 61476 56780 58709 57808 63381 64893 60409 67044 69415 59354 75045 58003 63086 66336 69238 81943 67420 76187 87308 81416 73440 54927 179698 58249 71675 170785 40203 67745 57757 73275 178218 42062 43561 41216 40641 39589 40547 40632 39000 39765 39706 38924 38761 40867 42223 67155 69511 46416 47238 47733 46982 45264 61986 62294 43601 66663 55277 48442 73301 56192 43824 66390 47370 52737 61136 58638 72086 47497 50254 48547 42753 39995 43609 37394 45263 38278 47594 44495 39087 39325 38183 41792 38722 36667 39612 40437 39972 37214 40510 39954 36880 38784 39259 Pantothenic acid 3204254 3319007 2421022 3228059 2384860 3395459 2052975 3360266 2371607 2360591 2224935 3428215 3467182 3507882 3602979 3507861 3376398 3489900 3664560 3569675 3586687 3609539 3728677 3646040 886437 623150 604611 872688 865599 201154 953215 205906 850824 201908 600869 869033 926383 929590 906431 1345243 938205 978333 929939 934142 946096 948492 947903 957303 3071389 3166460 2236161 3122357 3061942 2578283 2553150 2212418 2612130 3200416 2494785 3024676 3307624 3429398 3354592 3333863 3300769 3352571 3365878 3500244 3451429 3435845 3433827 3346874 2874576 2895539 2841590 2371724 2803436 3047752 3008231 2828877 2319472 3243458 2503453 2796689 3403203 3322892 3400959 3300553 3310582 3422650 3266313 3390019 3487883 3390345 3213355 3434092 2347445 1735790 2490798 1140620 1569347 2274946 1162616 2266671 1095189 1606244 2452940 2586458 2608480 2596823 2428827 2504850 2454342 2286925 2332188 2445352 2378582 2407119 2324065 2284733 1638310 1689776 1448406 1686200 1412119 1597164 1733095 1635526 1681680 1566405 1617246 1732424 2237952 2153948 2081035 2184119 2158266 2169649 2110169 2136279 2086019 2206102 2056755 2140666 38614 242424 665629 209076 687567 48854 678860 219785 38293 653837 646811 664484 701182 778598 729934 696979 747714 756008 720174 733563 767359 734750 771720 771817 5-Hydroxy-tryptophan 248505 248271 242660 242667 247508 243656 246050 244220 259840 243237 248915 235756 228703 231247 246833 253714 240289 250381 256137 250090 244480 252962 239336 233602 51990 46756 44442 68243 53456 55859 56678 65033 56568 45955 49774 78428 80698 65097 64397 106055 62896 68357 66845 66955 67154 69876 69944 87187 214992 215610 188885 218784 212496 190743 196002 183953 191441 217347 198651 213521 223912 222940 224474 219549 221309 228632 222461 227039 228820 232927 238292 239951 74348 72859 83996 71665 71723 76522 81456 80564 77115 92818 87726 90016 81300 89401 82310 83152 91747 94297 88345 97763 94897 91941 91318 89674 182281 194782 197940 190994 184928 189518 188486 188913 175584 186234 185378 191060 190992 186483 183738 189529 192107 183150 194888 181990 188980 184747 176483 197473 63465 80625 38280 34202 37268 35590 38941 66750 58255 38803 54317 108377 44390 52888 49689 28926 48584 31223 46513 47352 48624 51330 31906 47602 44955 41700 45342 45400 48639 44033 48399 47731 42943 45985 46178 49878 48775 48414 45123 49034 49366 50279 45480 45584 50128 45489 47777 48773 Cystine 477045 534478 165871 426509 233532 498437 18041 481689 22649 242702 14796 557275 404155 494375 439946 466807 494470 515131 578873 567214 501390 226947 614102 603559 32969 39623 36808 33989 20762 60008 30673 59809 31045 50394 39032 34665 46067 41000 30923 113357 42912 47234 53066 61302 42421 53029 41781 41233 18578 13616 1524 19225 13454 4257 4741 2405 4488 14532 3922 17264 16986 18499 18405 17334 19446 17989 18330 19107 19809 20223 21570 21836 118 495596 163227 561150 36848 128994 474100 30015 509659 31227 143898 505534 586919 543171 518194 484960 452610 503329 536906 497912 435085 495461 423172 425773 645540 8589 4026 626 843 151 124 497 1791 880 197 879 1138 31521 21048 9722 18953 6674 34285 11464 21251 29793 9576 9823 10523 5719 5258 4340 7324 5315 7448 6726 7065 852 4155 8128 5923 N-Acetyl-D-tryptophan 110075 103109 200217 120176 182740 120287 491912 119500 550334 168896 614631 122816 103924 98667 96245 105881 99725 91261 100735 97542 102256 94455 101999 103485 97546 187188 189465 83871 101962 374850 95678 361901 91062 363720 203901 89175 39091 38550 41200 50403 40120 40653 39120 41532 38132 41961 41700 41013 131863 138839 298891 126435 130647 136645 163372 234677 151634 133666 236518 122691 105901 111951 107409 102867 106700 106144 114285 115470 119303 115704 120215 121663 179830 454731 168608 753897 160509 180628 192357 446874 752785 196818 789744 443579 148539 146649 145287 145638 138398 148490 149453 151951 153506 151070 142918 152895 96308 1044184 106413 2167955 1017952 94647 2020056 104706 2092056 1046989 97605 100335 71856 67250 66489 69651 72829 62496 64116 68052 70595 62168 65888 70151 687387 704323 112817 125059 117334 129690 146105 669308 693870 126425 662089 717708 73955 68748 70066 67767 66157 69673 70167 64228 62430 68915 65663 70202 415868 230727 106829 217833 85957 436670 87588 216997 411197 91999 102643 88499 41886 47035 43791 45427 48263 46566 46690 41673 57910 41795 47066 51547 alpha-N-Phenylacetylglutamine 33105 33192 32435 29528 33870 28742 29953 29652 30663 31761 30307 32457 33545 34596 35535 32800 31764 32330 37292 34365 34521 35167 35781 34313 26824 22607 23461 26073 25671 23780 25575 22858 25203 20293 23168 26994 26921 26283 28951 24696 25722 27791 26499 25227 27186 26682 26317 26672 66048 66133 81028 65125 63321 54919 68139 83510 58286 64454 88625 64293 68854 70788 73406 68419 71054 71002 65566 72808 71038 73229 70331 73189 90372 84744 89241 85790 86593 91840 88682 84087 85537 92800 91814 77954 94687 94712 93982 95013 96164 96618 98690 96154 102643 100657 98142 95840 5078 6473 4893 3687 8713 5351 3322 5925 3249 11588 7576 6085 6466 5859 5666 5953 7174 6579 6039 8043 6829 6355 7603 7086 9611 9900 8809 8779 12205 10361 10088 12732 11978 10671 11502 13648 9070 10069 9656 8699 10025 9179 8852 9508 9376 8954 9844 9699 20997 22550 23407 23095 24531 22878 25756 25785 19888 23154 24216 25481 20932 25873 26331 25948 50837 26767 25748 26620 26717 69594 26020 25839 Argininosuccinic acid 7362 7751 6173 7528 8253 8649 3631 8294 3741 7740 2448 7967 8085 8082 9061 8764 7637 8436 8641 9430 8515 7431 8701 8282 8278 6630 6473 8194 7405 6586 8266 7055 7983 5920 5995 7622 7209 7793 7823 15861 7813 8162 8996 8591 8156 7727 9340 8536 3126 3683 3473 3354 3243 3972 3693 3456 3255 3875 2970 3490 3201 3950 3844 3852 3130 3413 3621 4162 3697 3095 3851 3881 3095 1934 2546 2413 2460 2386 2348 2282 1240 1904 2138 3407 2462 2156 2464 1867 2234 2015 1966 2609 2143 3267 2417 2299 678 1026 712 632 510 621 548 900 610 456 782 850 338 392 864 569 444 558 541 380 588 30 15 20 54 145 138 251 68 310 16 70 120 75 55 308 69 103 83 93 186 121 158 123 112 4630 5781 6049 5216 6394 5495 7229 5392 4602 6055 6180 6387 7331 6907 6104 6480 6816 6504 5754 6909 6625 5540 6205 5696 C-Glycosyltryptophan 363466 378890 341922 362760 347702 373162 358616 359703 382381 340745 373548 377656 370536 366609 392552 412057 383659 381429 395939 387311 389001 393088 413081 395703 92321 87846 82626 78674 83625 90926 80846 90604 76125 86285 80617 88195 64400 65206 57362 112963 57425 64810 58746 59007 58231 62767 62670 60652 162991 165314 121654 160690 149432 118299 121876 120839 117660 147048 133456 139014 162480 167299 163938 157713 157930 165959 160931 169879 164578 168004 181391 179532 223105 226188 223672 244206 219210 214879 219662 218399 228803 218317 248931 247234 235712 224981 232878 230263 220380 223084 219510 231792 238785 237258 218591 219991 145412 168408 163039 141239 152762 150410 142895 147016 134779 150671 146251 153948 150334 144044 148628 145328 147082 142654 146376 134573 142772 130323 140701 155347 266890 261162 201535 215376 249923 219444 238190 265858 269338 238707 255382 266941 261880 247992 234999 224711 249720 224492 260066 239656 245516 247742 213152 253230 123193 117962 112422 118207 107797 118924 117524 116815 117768 108997 111349 103516 114039 111806 100467 109071 105549 109791 102051 108347 119631 98740 111023 102401 Ala-Ala 125461 133238 125673 125669 130216 128679 132482 127390 141455 131037 138942 129691 126694 127767 131230 131301 129922 131224 138481 131385 131714 131236 136661 134235 141802 57105 49728 151995 136382 25972 143856 24936 145771 27471 57104 152876 169788 174889 174406 237737 171873 172862 177799 172656 175071 175414 176017 182047 125483 124561 138777 128338 122631 126344 132877 133819 128395 125686 137365 125984 127037 131990 132150 130322 130494 129708 124674 129483 132286 131507 130174 131975 92343 60027 90959 52915 89023 91600 88284 61971 50794 92098 51117 62125 98964 98919 101370 98279 97259 99526 97608 102082 103332 104353 98633 100782 31868 33914 33604 30053 32490 31742 33266 30925 31195 32264 32053 31392 31922 32011 30168 31024 31422 31450 31220 30416 30919 30701 30174 19435 8181 8587 9896 11175 11577 12413 14463 7616 8495 15759 8066 5386 12245 10392 6588 15265 11085 15662 11605 15428 13984 15920 14241 15216 26249 61199 122225 62055 134442 27692 133098 61205 25529 118674 121388 130822 150857 151839 142289 149361 149464 152651 145643 159435 150884 141613 151447 148905 Gly-Ser 16399 17547 14945 14801 15435 15713 14221 15542 14923 16179 13445 15809 15515 14426 17162 16638 15924 16334 16232 16712 16072 16635 17555 17332 25319 19863 20145 26425 25846 17280 25654 17239 25951 17463 20610 28137 24905 25647 25656 44476 26106 27663 27250 27793 26926 27355 27045 27438 15443 16319 15656 15809 15217 15901 15659 14514 16021 15650 14515 15830 16448 17135 16368 17433 17080 16089 15103 16250 15889 16550 16632 17404 14437 12028 14084 11874 15030 14527 15007 12139 10563 14204 11618 16791 14082 13256 13692 14099 12997 14481 13680 14204 15535 14346 14003 13082 2743 4426 2913 2651 3695 2538 2861 2883 3694 3140 2831 3146 2877 2929 2870 2385 2808 3205 2720 2583 3187 2334 2527 3319 1676 1385 1993 1760 1804 2030 2268 1428 1914 2435 1470 1079 1261 605 489 1254 943 1661 693 1645 773 1921 757 560 21607 25837 30853 27413 33832 23144 32785 26191 20756 30567 29588 31151 35896 34419 32495 33769 33539 33115 33664 36208 35196 31812 34734 34874 Pro-Gly 8630062 6401720 8472352 8372157 8631344 8440327 7726071 8472855 8254455 8663750 7590621 8846796 8553428 8182835 8536981 8704209 8657427 8571112 8831196 8820332 8272777 8727132 8988573 8924993 3151425 1711794 1618959 3468852 3178590 936982 3252095 896764 3303037 1060076 1822903 3415833 3812624 3769005 3683577 5102752 3832457 3623771 3703674 3839881 3785445 3958584 3712018 3877214 3248464 3334987 3402195 3398597 3278723 3214159 3256899 3374823 3160281 3194598 3430143 3038175 3210906 3492060 3265147 3160178 3260544 3397222 3197248 3343926 3259417 3314950 3587630 3473707 2704411 2027941 2778911 1663920 2758132 2617889 2751036 2146658 1790390 2769416 1697113 2132263 3059516 2838255 2996553 3146772 2898276 2877704 2973539 2993534 3073898 3003650 2849052 3001218 2630959 2695970 2746905 2062390 2695531 2602563 2067407 2554037 2297534 2515899 2600009 2746263 2560725 2736217 2607512 2569545 2630592 2694321 2637513 2603212 2667552 2559890 2762877 2065350 478650 506824 900936 886079 1091591 1122713 1223987 422410 544021 1299402 542543 404383 1153359 989630 632536 1272276 1215521 1353018 1072890 1430588 1254265 1463416 1405389 1366095 1176830 1841751 2906765 1959395 3179186 1226339 3193134 2027550 1239417 2992442 2832465 3200164 3650197 3509041 3315051 3624082 3665934 3623200 3541265 3974057 3207735 3495041 3472642 3409462 Gly-Pro 142265 143172 139446 140318 147944 145175 146579 143268 153283 145721 150316 147686 146139 144899 152486 151110 146841 146358 152520 150870 146330 147895 152387 145891 480376 459662 466433 464492 482578 482455 482589 486932 467264 475252 463062 489334 395763 410267 399308 501805 394033 421024 395797 423943 417972 429985 427972 414700 446485 453570 450529 447869 441254 445163 459147 439830 452658 451513 464951 436728 458145 469882 466293 463842 464272 464334 465455 479177 471907 486597 484285 480277 615966 615497 623302 639462 582822 603192 599345 606333 642025 619153 667099 638279 574025 591183 578098 568826 561977 580866 596804 575782 609148 623552 605315 592153 50884 57878 53643 52329 55570 50019 53302 49680 53859 53892 52470 52285 51264 50887 49698 49496 49620 50750 50391 48199 49967 47537 48371 52732 101538 98422 102706 93909 100702 95661 102956 103453 112025 111130 103496 101072 25709 26535 26497 24934 26248 25937 25079 26233 23856 27248 23564 24058 771619 756440 775882 782045 793770 775427 784612 801485 766036 759902 776200 764659 798322 799880 775048 793005 803676 790682 778589 826989 823294 775256 811352 805536 Gly-Val 121193 118967 128437 120643 131561 125522 128175 126046 131909 130089 127499 126711 121867 122715 126650 126244 123473 126683 125417 127032 126372 125793 128517 127502 214004 143769 135549 218470 210448 90369 212827 88001 217144 94609 142351 216288 230593 234089 230445 277593 237678 236869 228375 226792 222951 224073 216439 213332 46688 47445 48639 45290 45542 46990 47260 52210 47597 47228 48176 46675 45737 47046 47054 45117 46497 47201 45261 45218 46032 45617 46097 46011 37372 29195 38620 24993 37292 36665 37696 28807 21696 36550 24431 27789 34989 32617 31781 34514 32710 32861 33728 35045 34668 33792 35325 33473 25185 24735 26512 23255 26135 25905 23647 25848 24009 24586 26512 25911 25076 25609 24801 23898 25447 26133 25253 24279 24438 25188 23660 24944 4979 5565 14452 14044 13543 13737 14068 5176 5487 14790 5257 5555 14364 14341 13161 14567 13463 13964 13601 14554 14040 14665 14089 14117 101239 147574 190579 147989 203481 106226 199616 148108 100704 192075 193409 202577 212810 216109 208169 218939 213577 212047 209282 210967 208890 204917 217658 209882 Val-Gly 143432 151500 148440 149556 155571 144100 153645 150330 157347 153903 153939 152906 152970 150681 154355 155443 154681 152331 155146 155979 155155 156148 149940 152132 151607 134780 125568 155860 156407 114032 162606 113168 156110 109143 133240 163471 169995 166623 168995 234835 161207 170954 174779 169193 177526 171962 173835 182319 132796 137306 134571 134061 134088 135111 139902 142375 136176 137406 148306 137446 139451 147540 147724 143484 145828 138903 141847 148022 147015 141929 148752 142776 142609 131299 138581 111718 130967 132879 132762 123256 109729 132998 118755 127188 137705 138549 138994 136189 137571 140260 133001 140622 142183 144514 142553 142637 41967 46375 45079 41892 44603 43339 42153 43838 41579 42097 41762 41139 42640 42729 43056 44485 43003 42478 42221 41536 44392 42556 42056 34170 22760 23594 26586 27718 26776 30079 35610 24039 25725 35351 24966 20267 27238 24560 16354 30453 24120 29883 25962 29841 28523 30652 27871 28970 107888 122907 144344 134164 150592 118148 150362 137041 114516 143793 153623 153741 164556 166775 161120 166898 168969 166497 161297 178036 179887 159019 161896 163497 Thr-Gly 142541 142979 134957 138484 142162 142378 114154 138603 121063 141276 111203 142620 139790 141544 146109 147999 150594 143758 153282 152882 144788 148628 156707 155618 84772 68120 64876 88609 85333 57761 87782 58854 88690 57798 68602 91679 88002 90308 89859 126610 90616 92965 92427 93878 91326 92082 94518 94838 97454 101303 97506 99193 98367 100064 108243 99418 105805 98277 102768 99136 100220 105062 101632 101975 101698 97986 97408 102535 102174 105520 106167 105800 75729 68575 79261 62627 72036 77001 76883 65816 58593 76566 63938 77518 79134 78528 76666 78920 79309 78007 76702 79183 83815 84642 77582 82385 64106 71013 68115 43989 65252 61648 44174 62038 44802 61741 61340 64294 63062 62931 61010 59718 63648 64971 62458 61202 63994 57630 61729 62101 21897 22760 24252 24710 27857 27199 29382 21511 23008 30431 22434 15696 26569 23990 16899 28897 27476 30338 22890 31319 24178 32708 24715 25815 64922 75109 87969 77736 94011 66737 95966 78862 62932 88089 92353 93565 102870 98098 92780 99150 99615 98422 93318 106470 99284 97783 98147 100046 Pro-Ala 532296 544816 476980 485127 496686 482260 465155 483829 491078 482790 477202 505588 529293 504141 513321 546178 508841 525288 529161 519670 520666 554211 541521 529737 736583 590283 568456 757309 757430 478484 746597 464386 748830 474798 606264 755697 774023 782450 772814 1029246 776456 773005 781901 829387 769323 762902 785058 786933 900965 874307 865566 908426 868705 839938 845324 852213 834077 849505 907316 902006 933803 958354 928590 945408 935453 930971 931305 953178 938286 934710 947555 956775 1064381 896675 1055587 812264 1024936 1025870 1041064 877441 798496 1065099 848976 906721 1140030 1122956 1115992 1114830 1097778 1138027 1118720 1137021 1165729 1166360 1096284 1083607 374304 366678 376922 346732 368704 374806 346792 371626 333984 358622 372482 404701 397930 399498 387295 395117 406216 376601 395524 367867 385015 381772 391094 405924 124146 130481 254533 227867 282009 228718 218224 118521 128689 234831 133715 108477 225967 215629 185537 201730 234685 207763 230732 215472 203136 210319 214079 191252 604407 712925 824970 729970 855274 602927 855617 763163 583763 817643 831143 836847 899833 893313 854974 876180 872697 877120 872580 998857 912218 872901 942957 904756 Val-Ala 1981153 1980101 1915200 1980111 1969800 2006844 1809710 2024835 1894886 1963504 1819246 2047384 2004417 1951672 2061247 2047227 2021526 1999802 2088696 2050395 2001199 2004517 2075345 2026833 1193051 862902 808948 1240844 1203028 607376 1260477 592504 1225994 597377 842936 1255634 1331139 1310497 1316342 1859970 1332219 1353970 1343596 1303721 1375921 1391502 1372384 1424362 1367311 1409249 1383587 1366288 1381026 1386635 1404942 1380445 1401908 1399636 1463382 1356871 1376825 1450593 1420119 1384131 1400375 1396659 1384812 1437650 1439490 1446852 1445627 1446559 1207065 862250 1197943 702170 1156419 1138442 1165475 876413 686454 1168267 711100 871235 1264891 1263240 1282675 1284338 1265133 1282977 1266282 1297806 1308007 1326340 1281038 1294784 781657 733288 785230 600713 717244 779537 596397 766527 591584 702009 758083 772611 758937 756439 739753 749836 742912 746094 752608 740489 744086 734588 724496 733573 230891 227352 446174 405298 422701 413052 415247 233307 244601 425436 238578 235563 315332 313060 392717 333031 339780 335984 328609 355568 323931 352753 335477 316960 636976 850368 1084958 873632 1169200 643063 1168763 882699 624296 1107626 1121968 1151491 1249882 1270978 1221642 1242640 1246082 1219021 1205086 1238855 1286755 1188100 1229692 1223475 Gly-Asp 9550 9837 9180 8472 10818 9195 12283 8630 13229 11147 12637 8949 9577 9649 10323 11367 9087 9630 10196 10585 10210 9981 10310 10312 11032 10269 9804 10695 11692 8819 10480 9433 10807 8482 9992 11263 9666 8635 8495 2764 8406 9055 8647 11324 8475 8880 8789 6854 15131 15775 16773 15841 15071 15943 17480 15812 16179 15575 16876 16031 16467 17559 18155 16649 15473 15950 15557 17260 16099 16427 16735 16944 13044 12497 13250 11064 12093 12868 13659 11899 10278 13483 11661 21018 12262 12990 13313 12927 13039 12830 12535 13597 14728 14314 12395 14570 1846 3555 2187 2905 3083 1814 3414 2243 3197 2077 2034 2091 2161 2019 1835 1892 2026 1999 1796 1794 1731 1486 1972 2255 3388 2912 2822 2443 3162 2484 3254 2646 3015 3603 2942 3002 1044 1302 1124 1457 1432 1534 1188 1314 883 2011 1074 1276 14606 16003 16821 16641 18746 14475 18812 17452 12834 15809 17038 17068 18192 15776 17312 17391 18227 16495 17214 20121 15882 16283 18270 16964 Thr-Ala 114859 118032 117516 113671 123850 115969 117003 118754 123930 119369 122024 121256 122315 114787 121768 121846 117217 118805 124267 122926 116911 117565 123298 118547 43128 37690 36416 46033 44900 31835 46841 31423 43912 29943 36910 45210 45325 48647 49014 72050 46612 50177 49134 49599 50790 51327 50915 52197 238877 246953 239598 238692 230302 232454 244246 231327 237749 239505 254175 239914 243065 248772 245712 244077 246614 245777 242585 249353 254653 254716 251147 246550 63927 59312 60627 51801 59906 60625 56530 52582 48362 57917 51720 58982 63183 63384 64358 62307 65015 63791 62167 63532 65705 63560 62972 65426 39750 44463 42093 32604 42549 37690 33832 37092 32860 37621 37807 36597 40453 39209 38800 38191 39587 39137 36416 37043 40546 38292 37346 27304 10773 10759 10273 10879 10928 12388 15375 10636 10904 16874 11019 8108 13688 11099 5630 16163 11484 16120 12708 16533 15009 16737 14559 15258 34821 37445 43118 39238 43808 33130 43816 37367 32245 42455 43440 43825 48038 44050 43050 46668 47105 46823 43371 46879 47396 43575 44919 44163 Ala-Thr 148949 148676 147395 144542 147158 146089 137784 147549 144921 146172 137500 147973 143640 141203 149013 148213 149215 147949 155644 150990 151094 150351 154157 153534 46748 22106 19488 52565 48211 6846 50905 6047 50364 6984 22268 51527 59621 59095 57733 83164 59167 59597 59692 58956 60315 61120 60281 63091 55203 56475 54324 56313 57938 55663 58071 54036 55055 56271 60328 55788 56374 58517 59678 54978 58363 56587 55685 57594 56775 58377 56938 57712 37608 23041 38154 17110 36813 36292 37510 22505 16009 36895 16888 24864 42916 41582 41975 44327 41854 40809 41781 42202 44360 43570 41906 44028 44452 50806 47365 39186 47958 46035 40240 45671 39467 47165 48037 48517 47011 47837 46901 46319 47440 47852 47458 44818 47435 44481 45973 37061 4798 4987 12192 15041 15239 17167 19329 5284 5984 21781 5900 3727 17265 12971 2085 23880 16976 23042 13380 22358 19855 24511 22439 22262 10648 24187 43557 24212 48849 9962 49243 25109 9354 41547 44552 46785 53764 53940 48666 52104 53583 52862 50269 56060 57579 49974 52634 53695 Ser-Ser 26700 26286 27589 25440 31380 27710 28212 26161 32037 31036 28922 27749 27474 27722 29093 29611 28603 27431 29450 30443 27405 27955 30642 28267 5322 3940 3143 5953 5678 1549 6098 1784 5919 1482 2916 6865 6404 6342 6840 12141 6666 6610 6321 6381 6640 6640 6842 6721 13015 13924 13999 13508 12571 13953 16168 12797 13639 12943 13631 12183 13277 14493 13394 12867 12639 12442 12308 14062 13867 13761 14259 14354 3953 2884 4262 2161 4381 4025 4664 2840 2006 3735 2086 4719 4695 4870 5430 5412 5322 4723 5274 4821 4974 5466 5966 6046 5294 9168 6565 5441 8128 4938 6572 5814 6867 6980 5982 5923 5944 5386 4897 4861 5039 5515 5291 4888 5011 4893 5242 5129 102 190 480 299 239 496 672 68 110 487 45 776 706 910 773 1033 283 1383 797 1435 258 465 2505 3462 4967 4048 5843 2287 6960 3865 1611 4663 5200 6263 7486 7059 6458 7418 7463 7413 6136 7633 7303 6645 7227 7111 Ser-Pro 455061 467225 419424 427339 427980 435904 429691 434549 437297 415267 432914 459164 453347 457297 473421 470712 459659 458473 476268 474533 460049 471278 479808 480898 160468 132401 127153 156999 158627 124647 160939 124090 157662 126627 134082 164784 142323 149792 137452 192080 140678 153174 142556 174791 148906 154738 155333 145187 317074 301287 292988 323812 293166 278271 286784 287207 281978 288565 300818 312049 316236 330441 324442 317870 323995 323825 321418 332719 332640 329454 335737 332530 241811 214203 245899 208007 227759 237808 237465 208812 205601 237688 214586 225784 246459 247501 244728 242847 243006 244269 249413 249595 262525 260612 250942 248561 223767 246471 230148 211019 230773 221507 218031 216100 212269 229688 230257 235100 236238 229677 226139 220397 224863 226370 227029 215084 225236 209842 215416 240006 46923 48365 72848 66128 78138 66711 70015 49347 51817 72838 49102 52774 58962 60762 65620 56692 59978 57819 59189 57274 53426 61778 54533 53591 216007 238364 271527 245580 283166 218477 290719 255076 212090 271468 278434 283804 307755 303909 290483 303327 303860 302445 287059 328430 311748 292567 307350 304671 Ile-Ala 371374 365850 311166 373714 309111 375853 270113 374985 269250 312717 264829 374349 368855 359624 374263 360529 384511 390036 385059 384019 368043 387406 382697 379518 276103 167917 155487 292560 272166 90086 282009 83085 287875 92336 163444 293377 344976 350652 345288 372804 353703 345626 345832 344775 346470 341433 341197 342742 366945 366846 325852 370651 370207 353057 341202 331579 342326 374019 341863 370366 373073 373020 378709 371784 372314 372131 380264 376002 379958 383171 386195 378814 311548 215435 311206 172930 301097 301026 300353 219997 174199 296979 170594 204164 344890 341373 349137 344197 341545 347629 342710 349078 344677 345011 351988 354304 280344 245224 281094 184882 237654 270877 184043 262945 181232 237682 274013 276464 288485 287554 283224 286904 284752 278493 290479 267483 284188 271428 276711 289659 70278 74525 195888 192827 175789 181530 195232 72781 76726 211997 72046 77571 241637 243422 228991 210048 230805 227910 237649 214016 221221 216998 228386 226201 108571 173612 245525 175063 268083 113330 264206 176866 106540 255263 258649 264089 296037 305070 302656 302764 303850 299473 299688 301455 301912 295597 305838 302326 Asn-Ala 48414 49296 45262 49026 47237 48009 40537 47930 43742 45030 40162 48573 48680 48820 49541 53317 51807 51998 54263 53402 52498 52420 56673 55457 17031 14126 14087 17246 17968 12840 17866 12073 17928 12404 15127 16437 15759 16801 15574 23108 16517 15994 17190 16521 15702 16604 17002 16648 34469 35226 32808 36496 35977 34885 34329 32956 34385 37016 33402 36532 37469 37312 38695 38034 38586 38236 38918 38672 38095 38474 38116 40164 12052 10494 12398 10250 12059 12213 11765 9620 9172 12161 10078 12032 11004 10861 11463 11548 9211 11681 11563 11892 12853 12345 11410 10704 21062 23890 22073 18023 22047 20320 19201 20272 17739 20939 19572 20427 21577 20423 20742 20715 19855 21343 20788 19560 21107 18100 19011 20288 4678 4433 3670 4611 4664 4380 4936 4078 4989 5441 5197 3739 4827 4205 3755 4229 4444 4397 4135 4697 4148 5181 3840 3977 12610 13936 14788 15315 15859 13591 16083 13318 12757 15199 15450 15918 16272 16136 14850 15981 15559 15262 14643 16343 15842 15798 16549 15580 Gln-Gly 33734 34771 29855 30782 32519 31749 30681 31108 32331 31010 29401 34140 33423 31637 35472 35860 34811 35065 36419 37099 34956 35892 36734 38036 16686 5469 4584 19884 15657 2287 17973 1471 18109 1336 4797 19986 28576 29148 27044 43410 28957 29001 27448 29458 29603 29953 29252 28974 28392 25068 25412 27277 25596 24262 27553 25892 25987 25675 27339 26743 29444 31050 29476 28209 28931 28538 30151 30104 29700 30208 31249 30769 15227 6225 15950 2912 14731 13774 13371 5252 2816 13866 2549 6903 19813 19254 19791 19595 19688 21288 19822 19673 20178 21266 19980 21643 14120 18058 15358 13518 16713 14705 14472 13988 14114 14762 15760 16147 16965 15978 15769 14617 14784 16756 15439 15598 15482 14461 14930 17113 323 95 4985 4421 5786 4602 4010 52 276 5910 173 341 8855 7858 7221 8663 7980 9576 7546 8932 7902 9001 6955 8032 2173 5835 15219 6711 20465 1728 20368 7436 1373 16409 17107 18859 28740 28539 26607 29596 27374 27989 25412 30321 29947 27204 27968 28357 Gly-Gln 34907 35910 34631 35401 40364 37036 39957 36365 41930 39019 40492 37398 37355 34988 38636 39361 37197 36946 38623 38198 37854 38115 39072 37854 152911 129436 127554 151484 152559 126194 155159 125203 152646 119881 131432 158061 152373 152547 147669 253342 155080 157393 155969 158565 158080 160699 155917 159985 29848 29222 30343 28778 28643 29513 31922 30185 29916 29122 30134 29178 29387 31672 31453 29329 29220 28984 28651 30668 29891 30468 31375 31294 46408 40039 46093 36936 44583 45165 46071 38872 34320 44714 37587 53271 32010 31733 31333 31235 31042 31381 31008 31441 33928 32724 30254 32990 9101 13307 9689 11052 12053 8082 11343 8618 11582 10909 8195 9241 8938 8297 7974 8313 8895 8477 8266 7869 8219 7729 8189 9402 15586 15040 13774 11987 14098 12656 14993 13583 16789 16885 14606 13850 4468 4153 3601 4863 4567 4552 3743 4982 3972 5627 3741 4038 124064 140072 155257 144891 165710 130609 165491 142363 122360 149768 154375 158929 175304 171694 159986 164133 160779 162015 154668 174620 167555 157142 170553 165655 Lys-Gly 79296 81366 16765 69746 18405 79290 19848 73371 21378 17287 19610 81383 78974 79541 90747 94803 81981 81806 94597 95539 89145 85896 90947 90385 110680 94780 89656 113588 113188 92437 116990 95058 116352 86180 92907 123061 114819 115164 111737 216921 117269 120700 118308 118985 122965 122550 119070 125873 72959 74469 21466 75988 68571 22233 24063 20961 22075 73072 22448 74384 81830 89251 90445 83566 84183 79444 78943 92534 86078 93267 89684 92744 106452 104064 109306 94936 107410 108915 110591 99986 88809 114158 102562 148502 116664 114888 118205 117377 110997 117842 114481 116992 126258 128709 114141 121640 10203 7410 13112 5060 6577 12237 5354 9530 5612 4276 13639 15620 14754 12737 12793 11393 13748 14078 13052 11818 13423 10572 11808 16115 7061 7687 4452 3925 4486 4229 4795 4672 5459 5327 6228 4444 4133 3237 2367 8452 5428 7117 3318 9756 3112 12620 1977 2773 102887 109129 124460 115357 131068 105488 129963 114191 97672 116468 121871 122983 135321 135174 124801 127452 133763 130336 122069 134517 131347 124591 132811 136854 Glu-Gly 38539 39893 38134 38107 45163 38290 42786 38312 47330 41306 44738 40026 39615 38309 40260 41091 38593 39041 42347 40312 40790 38644 40769 40359 352904 274294 268648 367710 358082 237743 368306 239696 360684 222739 272768 382400 378965 380984 386090 668156 392063 398397 401936 394644 405106 420523 405851 414698 82227 87322 84744 85463 83553 83720 90726 86567 87299 84251 84996 87236 85276 88634 90886 88060 89788 84636 86252 90149 86449 90135 89210 92636 97739 72306 92818 67671 96951 93527 93465 76179 59448 91557 65752 111730 67008 66380 69408 66349 64877 67074 65202 64670 71457 72817 67591 69452 6994 11760 8830 9584 9734 7576 10925 8298 11162 9055 7880 7886 8213 7671 7230 7038 7323 8136 6792 6652 7803 7497 7317 6062 20800 18222 13731 12713 13398 17533 20927 19337 20872 24381 21321 12342 2798 1596 653 3898 2767 3550 2579 3985 3197 4262 2579 2574 226620 275828 345667 286383 364190 236111 376361 284918 211859 329629 340953 348243 396807 388478 370684 383403 395287 380755 372921 407721 402537 366992 395414 383020 Ser-Val 216850 211857 204250 211432 211282 214423 181618 216992 192694 208738 188922 218990 217806 212085 219680 225344 220690 211640 218344 221334 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120388 130662 126658 128918 123224 127073 129911 131231 134986 135827 133773 134493 137865 138291 136579 140766 141188 140151 110941 71505 63159 118996 114918 32417 121123 30883 119244 33538 71422 121513 134521 134963 133461 186398 134563 136654 132022 132217 135448 141077 129607 137295 99127 96626 102153 95513 96974 95495 98779 109300 99484 97880 112528 98601 96844 101663 100025 100837 99059 96714 95236 101449 103427 101928 102010 104251 74234 53655 72431 42428 69360 69724 68168 51442 40492 71344 41009 56112 76412 75351 77507 75073 77129 78780 74352 79249 78110 76966 75884 79657 48625 53621 53770 39580 51294 51294 40553 50735 38485 48076 46469 48758 49927 47851 49318 48620 49385 48630 47546 47281 48997 48916 46597 40500 9959 11517 21219 21047 21856 22504 25046 11054 11429 28411 10797 9360 26420 24010 17121 28736 22769 28585 24300 29430 27356 30171 27153 30183 37744 66232 91971 65706 101611 40672 97785 67616 38318 93579 97541 100687 114389 114203 108330 113461 116739 110360 110315 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130057 159537 145892 160104 146715 156669 406528 496685 597393 509489 633342 422072 622712 521857 419862 601982 607769 610081 673023 672882 637193 662181 672283 666295 628356 688110 679557 630113 665233 682222 Val-Gln 246219 246256 238725 245171 247480 244354 233831 241937 247100 247528 242407 248708 242790 246754 248155 250847 255113 244255 255548 254758 248499 254976 257955 254574 250316 183088 174705 262362 247501 130458 256201 124160 250424 129409 183403 260436 280548 280346 273900 375935 280462 280432 281327 287948 281704 292239 274376 283968 296081 307192 301079 292397 295883 291525 306393 303629 292525 291915 319362 293991 303956 308978 307874 302013 309379 303927 293705 306940 300706 318002 316640 308679 465601 376620 451323 336980 435349 453377 447258 368486 317347 454514 344117 402499 507273 498026 497084 502953 497604 493412 496306 514697 527528 518824 496383 516596 123441 130116 125988 102706 120671 119375 108134 120378 104290 121208 123550 124681 124224 127446 125668 120035 123845 122825 122570 118764 123988 117473 121147 101515 37774 41669 51405 58011 65596 62535 67858 36933 39545 70012 39650 26201 58856 53411 34189 68776 61623 66032 52015 67064 61231 68370 64597 65412 137997 172008 213709 175580 232015 135607 229921 175484 127740 211704 213482 220570 248109 245352 230020 237556 237532 243328 232803 262706 249993 239506 239431 240440 Arg-Ala 531845 542401 227983 455749 238059 483563 229114 466806 241433 226672 223011 532359 531018 508059 568020 553271 537842 535298 571745 571052 542103 563294 564429 568915 458076 391199 395568 455449 449915 276070 456634 276433 453945 263861 391957 498397 494159 475472 497056 740000 497567 508011 499294 403599 500362 502283 493162 500377 318356 289173 76357 319832 266263 78249 84985 74739 80940 268077 77953 319891 327384 362690 351454 336279 337291 331657 328694 356053 338262 362432 358003 357331 356992 361048 361063 107915 367452 364099 355760 345232 101172 360969 112422 437662 377974 369868 385315 377676 366542 388645 371883 385788 409709 399125 369888 389174 120096 131373 132928 100622 122007 156126 107671 116229 107359 108176 158768 164287 164701 155773 151508 146647 152147 156340 158686 145229 156513 141497 145316 161358 59592 66971 50396 41951 48170 49523 47643 27800 29496 51100 48834 30577 47112 42217 40960 61684 50930 60971 40569 67735 41573 77586 36463 37272 322048 449798 488749 466640 509705 337044 544506 464487 322252 470374 513003 494907 570031 573013 548412 553053 565103 562486 540162 513080 568130 532788 569236 563248 Lys-Val 1192804 1138824 1147052 1173805 1189653 1188152 1019785 1184824 1110595 1190742 1059021 1217848 1161089 1203174 1228862 1257571 1190948 1186328 1212131 1209736 1271917 1258957 1247700 1244100 225197 94666 80339 249064 228998 35795 227203 32129 240106 37243 90079 248279 353769 336673 357592 509909 370246 372397 378318 275749 369158 378619 355806 373151 770383 815121 829379 784191 789696 811774 840994 795407 814912 781913 821209 773291 773894 828711 797501 762204 816193 787296 764103 813895 812463 837678 848548 878250 508825 311254 523123 297417 490499 493489 512768 320006 310226 518762 312166 322375 755264 704739 700206 724023 701161 710890 721295 735141 774778 780208 734853 758292 643733 734567 666132 577549 713430 622602 598861 622028 588435 652799 611574 621304 637097 606576 586700 590318 610027 598193 596848 548967 593739 569063 558083 636146 130343 132768 214701 203525 252373 205856 219885 160952 165328 241214 132136 164035 264475 278212 270044 261813 268027 257492 247453 260521 223846 287545 218666 220256 80695 121159 235157 132409 265605 78274 262602 119759 73809 230808 235710 256090 339347 343956 327624 342450 332081 347761 331212 269874 347191 320081 319200 332031 Val-Lys 1150827 1233499 78211 976610 74336 988958 99120 980019 98369 68007 98429 1144861 1200309 1125119 1251685 1236915 1178639 1206945 1298052 1287028 1190221 1260625 1306392 1270938 603141 470614 443524 648464 606690 307761 646148 309416 625549 310191 470795 645657 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273793 251532 230550 261671 261852 269247 277625 278060 262087 271470 270760 268640 267839 274543 289276 265321 279282 276570 Thr-Gln 121017 121900 101246 107568 109618 109118 99890 108080 107566 110361 102506 120706 123467 128845 131881 139408 124143 122627 128146 134574 139159 130458 131440 129429 92816 80261 74592 91876 92693 72016 94585 71927 92597 67952 80943 96824 93922 94450 90844 150821 97818 95708 97214 102113 92928 93493 91186 94970 570560 550825 551631 578278 512262 516715 533422 558024 509122 497860 593782 575642 596655 627829 629082 599072 606679 591096 594512 622626 616226 626618 637540 646014 327324 299153 327281 287466 317952 334178 330396 298351 272510 331434 296945 377599 388867 386052 386801 376751 366808 384246 372408 379474 405596 401674 365237 379506 50357 59348 57276 47688 57352 53095 47676 51849 46304 55397 57885 59339 59775 57059 56753 53592 56487 55838 54301 51507 54128 52037 52551 59896 29510 30974 25831 25294 29591 25676 27872 28612 30008 29002 29573 28167 26576 24083 21201 26179 24933 27469 23422 27411 23683 28072 23387 24785 64952 70745 79864 75550 83774 69462 85839 76043 62793 73996 80637 80624 88358 90432 80594 83647 86464 84491 83872 92379 84604 82062 86758 86155 Thr-Lys 331274 335217 146716 294674 157485 321275 155647 306955 169892 148713 155255 333450 319012 326081 360179 374175 337346 335128 364580 364261 366409 357474 367329 365746 204796 159200 154862 211686 207582 134513 211501 135072 208694 130154 162176 226097 225153 216391 226411 381404 227091 232286 232694 192605 234265 228385 227304 234941 232896 235668 83481 231344 218676 81435 87657 77031 81150 213766 82827 230109 241535 264037 256957 243016 240829 237092 235681 258697 245084 264804 263587 267008 235938 207089 240328 192433 239591 234462 234242 204704 176828 246147 198628 275350 268282 262198 269293 266123 256106 270193 260311 274643 287342 281033 254588 271255 103937 106926 123908 79846 95953 136061 89055 101778 89345 77391 143612 159648 152191 139705 134979 126131 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6713 6295 6424 8108 9211 8090 7062 6990 7226 6974 5931 7009 7095 7622 5586 6372 5936 6066 7458 1207 1517 1562 1484 1068 1529 1558 1438 893 1788 1330 1066 1519 1188 890 1885 993 1849 703 2266 1637 2118 723 1368 14039 16695 19656 16354 21291 14415 19985 17822 14212 20299 20829 21219 23218 24048 22045 23244 22670 22089 22495 25324 25862 22012 22305 21106 Glu-Thr 63098 65279 65731 60532 67526 64049 66547 64420 70217 70061 67332 66023 66475 63905 66752 69747 65606 67671 70438 68706 66275 65833 66417 66745 5385 4460 4143 6330 5639 3367 6126 3499 5498 2937 4292 5883 6365 6522 5738 12621 6894 5946 5290 7258 7063 6373 6345 6485 14598 16005 16133 15266 14236 15498 16894 14040 15599 13938 15593 15027 15557 15822 15944 15365 14682 14709 16476 15442 15676 16357 15386 17561 3695 2223 3811 2530 2424 3024 3437 2425 2604 3173 2608 4394 3970 3490 3505 2836 3317 2816 2596 3175 4130 3121 3379 3979 15527 21940 18074 17413 21370 17442 18008 18680 17805 17050 15827 16206 15054 15286 14242 14405 14455 15965 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5764 8752 6225 8157 9423 8018 9370 9562 9386 10543 9584 8753 9654 8862 9354 8694 8596 9538 3698 4285 5020 5022 3909 5594 4468 2778 4142 5966 4073 4130 8328 9192 7455 7814 7121 6971 8128 7912 6986 7320 7534 7170 295 319 1015 358 389 398 779 585 120 1098 561 642 281 627 521 516 203 801 349 685 426 498 725 1475 Met-Thr 10231 10800 10509 10736 10500 10484 6582 11593 8342 10955 7915 12112 10932 9158 10664 9747 12025 11095 11676 10672 9368 10844 10970 11689 5528 3959 3454 4721 4851 2734 5069 2726 4224 2591 3982 4770 5739 5521 5958 7026 6450 5459 5730 4947 5718 6995 5333 6864 10855 11655 10719 12306 12232 11202 12502 11331 11404 10458 11093 10434 12980 12541 12634 11615 13093 10030 12359 11688 10772 11274 11058 10930 3985 3253 3910 2970 3738 3409 4310 4139 2759 3759 3194 4097 3056 4249 3799 3106 2949 3604 4111 4185 2846 4852 4216 3566 6383 5774 6339 2204 5011 6148 2123 5753 1938 4356 5895 6493 6534 6875 5964 5229 6295 6749 7131 5425 6387 6995 6685 7333 2754 2672 4536 4083 4869 4546 5590 3036 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112467 101110 107305 103777 104806 109855 45210 47444 69583 68426 80317 68470 74345 46160 49023 79638 46835 47913 67423 70758 65271 63104 63621 65875 64934 64689 64544 66153 62552 64734 130850 179538 221574 192472 226045 135439 226757 184334 128035 210838 214793 221934 238304 238809 223737 227535 233735 229467 222421 231637 227725 212752 228205 235027 Phe-Ser 71526 63508 63777 68532 63876 70715 55703 66509 57784 66017 59778 70024 67039 63900 70174 69033 72756 68833 72875 71303 70911 75854 76552 73663 32220 24070 22119 36438 34517 19286 34588 16986 31165 18723 23324 34339 39427 37898 36587 38811 36014 38451 38560 39369 38799 34038 36717 35490 106488 108556 87815 106308 107124 96155 98599 95268 97437 106292 89497 111728 108685 107602 113718 112576 102868 109069 111504 108167 106198 107497 109712 108308 82294 61987 82168 50454 80739 79410 77413 59338 49179 76860 49968 57297 95363 91269 94596 92539 87637 93399 93585 94093 92116 91581 95588 92944 43700 40819 43022 27816 41204 42292 29575 42601 29056 40986 43846 43067 45399 45666 43475 41488 43169 40504 42995 39119 43622 39434 44024 45428 14578 16270 26490 24620 25498 25263 24780 14785 15726 25716 15951 14334 29383 28318 28476 27095 29568 28228 28315 28423 28005 28755 28385 28427 21790 26681 33430 25976 35850 23125 36811 27882 23082 31746 34176 34808 36904 39920 37017 38685 38217 40526 38406 42274 34292 37562 37698 38507 His-Pro 458341 479628 440078 458173 469616 471241 481195 461503 481435 439661 468568 464945 457709 467502 487885 496985 456938 458569 479330 490567 484321 473066 478736 469654 71112 71769 69835 69981 72413 79938 70541 79744 70445 79490 70901 71157 64890 68712 64412 86886 65245 69208 65499 69403 69382 75256 75283 66162 260660 264649 216687 257590 255663 238743 243478 198264 230197 264309 205881 260516 260407 274286 272732 265887 259133 266630 266038 276793 276506 282277 276940 276156 70211 74459 70566 76918 66356 67677 71111 70316 75485 71819 80729 78667 66187 66886 66840 66016 64038 65449 66341 66754 69412 71543 66246 66617 165259 230217 174737 198990 206751 151850 203383 155506 193274 190793 160416 170456 166401 160650 152462 148473 153651 159570 156911 141390 152727 140938 145886 185473 48906 49752 30772 28544 34228 30972 31114 48031 54002 30094 50531 58090 28368 27977 30827 27008 28443 28407 27105 28614 21899 31481 20681 18830 81790 78733 76040 76758 77934 77094 75770 72273 73843 73912 75344 79347 77061 78732 73780 76997 78733 76144 72541 74987 76690 75291 78082 77580 Pro-His 62454 59014 53206 63472 58040 62786 36144 61223 42118 60575 36785 66262 63929 61810 65630 67057 63005 62108 66264 66558 63227 61737 65644 62834 35347 31914 31546 34788 34268 34171 36223 32317 34795 31976 32435 36837 32458 33683 34116 46930 32937 35701 34076 36520 34985 37099 36202 35170 32386 34257 28768 34838 30699 31737 33145 29536 32768 33147 31549 30996 32560 34288 33861 33990 32335 33286 33732 35276 32214 34380 34392 33853 44639 45029 43708 47840 41837 40858 40647 43702 48612 43041 47948 48458 41028 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16579 15837 16645 16577 16510 17629 15988 16768 17419 16096 26525 34694 43162 35521 42379 27490 43351 37643 27906 41219 42037 43877 48166 48538 45959 49266 48250 48214 47335 50071 46743 45980 47272 46634 Ser-Tyr 45670 45107 42992 44948 45757 46096 38393 44695 42437 42455 39190 44688 44024 42038 46766 46226 46766 46270 49335 46133 45675 48568 47987 48476 14669 12034 11328 15892 15048 10167 15534 10278 15409 10301 12358 16581 16841 16658 16244 23023 15913 17526 16648 15991 16139 16109 16176 17193 54996 55100 49322 56200 54446 50044 53444 51056 52668 58858 51699 58203 58966 57646 59416 59636 57440 59207 59408 59755 59162 58774 63189 61226 23549 18731 21827 17842 22749 22561 21852 19149 17181 23470 16845 21886 25265 24817 25403 23902 23797 25814 25419 23702 26120 25469 24241 24615 19891 18757 20223 13637 18331 18947 14491 18775 13839 18766 19073 18877 21752 20193 20779 20647 19437 19569 20153 18789 20389 19401 18071 22406 6618 6490 7544 7735 8775 7912 8220 6714 6352 8660 6119 6476 7399 8189 7755 7790 7300 7765 7866 8087 7497 8466 7238 7365 9566 11334 13807 12112 14212 9623 14815 12527 9487 13127 12850 14407 15481 15554 14580 14283 15105 14972 14682 15133 14131 13914 14532 13915 His-Leu 2057797 2050542 1900222 2010427 2055721 2014102 1952775 2037589 2007966 1987154 1976585 2093311 2023557 1940571 2073621 2093164 2036553 2040262 2103381 2095057 2026712 2003827 2113741 2006353 494429 483210 476310 493000 474155 467558 500907 490132 486646 491236 457611 521265 480886 489700 501336 612426 466500 494328 512444 475956 492966 470274 487319 496192 506984 477844 460428 508753 493851 465482 489348 472796 418596 486138 431370 479562 464099 510396 458979 458593 479398 483870 479239 480172 485253 517182 469910 515554 402580 413142 403850 398149 397974 379759 426833 400246 400709 388319 429929 427592 380405 368244 390855 381279 372947 383789 372803 390769 382593 388162 381496 395726 398574 434433 434809 366076 439099 395311 390408 405637 358523 423379 386652 421828 392893 373273 363276 356596 341145 359244 352734 346215 348914 346473 355332 392570 259301 255799 231052 217924 240737 216225 224019 245066 260261 238803 255986 271805 202549 200307 199967 187834 201303 198271 194042 184513 179083 192206 189329 179635 523845 523478 537104 529985 550049 552800 547649 575501 542712 555864 569778 532189 578034 550883 559952 543237 568185 543578 533211 580310 609588 534073 574813 549960 Leu-His 484477 501895 120787 472509 157609 485277 10398 472020 11347 180118 7273 491064 477210 445126 494030 472832 496668 498815 506975 493867 466138 499303 503477 508985 54829 58892 57732 56195 57119 93351 57285 90305 58150 92348 61347 56487 52707 54037 56824 21804 55322 54688 50921 53556 48165 54286 51690 50427 652442 679136 267308 660999 630487 509641 496046 347661 493026 651477 413444 656068 670700 700173 691458 695049 676931 681243 684023 725928 716148 720109 709864 727549 144162 182926 140579 316417 137994 143444 146453 176182 313850 147551 333605 175910 144078 144866 142770 143241 147650 146222 138401 145547 144596 146475 136919 142999 107425 36925 110625 32772 105014 103393 36732 105840 108438 108480 110034 103332 105673 107385 102020 110219 99263 104657 102188 102645 116347 57151 53386 31342 32300 35075 32398 34819 42635 45493 31130 56803 45919 24657 28253 27042 20664 23562 22519 26205 19234 26276 16950 25203 27030 130424 64486 52611 67846 51718 127239 54680 61140 118956 55076 52602 51032 50518 53297 48901 52316 55844 59234 53336 53246 56913 53980 43387 52283 Arg-Pro 478540 489896 325988 469478 329834 485193 337886 477405 352680 319553 335241 496341 482157 483370 527077 521373 496214 494283 522406 515876 510405 514627 536830 516848 318220 309798 316962 309143 313444 274872 316281 278969 312942 269677 302125 333023 295799 301723 304850 391788 302021 311546 303033 304196 312319 313403 311238 303496 276849 274025 95101 273364 267586 107285 109735 81116 99972 265513 87741 272767 282696 306687 301249 289617 283879 286145 290238 302245 292299 311042 300051 312095 262133 281192 263765 102219 259260 263679 269750 269615 84210 261781 103249 300131 242556 246508 243181 244528 241386 249099 246970 253987 259902 262368 244524 244442 192194 208689 208625 176788 190793 192821 191012 188251 182670 177928 196774 202161 214812 200320 196840 187725 195857 198406 196687 180413 194444 181600 182449 211541 105446 105334 68999 61699 67866 69878 70683 48776 48868 70456 87526 50134 50160 45734 40849 58799 50280 57914 44351 60249 42561 66607 40173 41506 396739 436959 456605 455607 457350 402813 461578 470824 400316 432996 453996 444163 478991 482925 458768 478817 471866 476356 457147 482844 480831 457626 489680 482073 Arg-Val 552510 566044 519823 532422 509772 552146 449738 517986 475234 507442 466829 585576 532730 548590 514573 546485 548350 549909 538103 545223 567029 533757 545219 539350 63391 104253 110837 45006 47484 317241 53908 396882 47314 294065 108892 48622 39277 44327 33591 32553 66845 51699 45849 36276 38000 49468 40000 36714 313903 328756 320522 343414 316166 298480 327964 302520 311004 315175 300719 323444 322645 334167 343778 338647 326186 333524 337014 339047 338889 343514 336592 340851 93050 155287 99836 364895 88344 98070 101201 188295 355301 98798 378625 269719 92746 96026 89522 90968 88487 97134 89193 99694 101874 91607 93798 97818 391253 368513 399909 310974 355666 376518 294582 384524 295020 347486 369393 388470 407064 377001 372055 381870 374193 381862 378880 349297 382245 383957 370495 421254 361950 331104 105617 107709 103468 107857 113727 280439 279634 108136 338155 292024 101874 99040 95571 95248 99556 91485 99274 83462 89050 86352 96869 97509 398890 65170 45803 88692 61951 249636 51376 66767 333543 38236 43798 58822 44050 47105 45392 54578 35265 47390 53711 47296 32109 34157 34117 42354 Val-Arg 564205 589927 40520 438038 45538 428687 42060 464464 45701 42627 42423 537739 560732 462154 591076 514874 580061 584897 603113 573759 477119 590656 607233 594450 320844 218222 231163 318606 301023 109312 321913 66440 322277 112884 213605 355486 353715 358382 353248 466463 341154 365133 359192 324100 376681 365875 359875 373885 1079917 951317 37630 1093321 895844 51204 36110 34931 37274 910265 51944 1066904 1097919 1165721 1148677 1126059 1143636 1133756 1127065 1225279 1184743 1207489 1219406 1243255 618315 570510 633092 26728 612862 617737 609851 503516 27955 611751 38660 477152 698315 665635 698228 696790 673627 680406 667654 674895 695027 700411 667015 686747 126984 46644 120476 31721 43400 318165 34534 98268 33555 41611 335626 341491 337013 346934 323297 323309 329497 322804 352488 313571 321464 315816 323626 345012 145547 197986 138612 129232 138893 143740 143054 30664 38428 139702 95649 40472 124138 126513 124121 125233 123839 129282 121907 126794 116828 137040 112949 111809 240341 361888 414730 360753 431071 359540 470336 383095 288212 411567 434334 437584 495171 504526 466318 476532 490929 489599 464347 436559 510643 487928 495392 493593 Gln-Gln 13540 14204 10161 14301 10704 13738 4633 13489 5282 11058 3861 12897 13686 13215 14422 14488 13770 14643 15195 15020 14966 14292 15191 14484 162016 147573 145204 161403 161040 148653 165020 148972 158007 139147 147516 167738 160804 158829 159924 238971 163394 166244 162408 162662 168271 162533 160433 170013 8913 10556 9560 8890 8765 9011 9417 11115 9269 8872 10883 9229 8280 10614 9384 9736 9685 8316 8321 9780 10454 9563 10592 10375 26204 23357 25848 23091 24996 24419 26036 23806 21779 25388 23422 28407 13077 9480 13463 13498 11979 12793 9454 11984 11295 10908 10378 10038 1965 924 2145 870 2115 2058 594 2425 2367 2143 2385 1845 2441 2278 2171 2125 1689 1762 2049 1954 2117 17496 18252 13509 12214 13152 13508 14567 16292 18359 15628 17942 16169 2322 726 518 2089 1205 2877 2075 1438 813 1057 2006 2014 129747 132658 142033 136856 147087 135543 140480 141397 129246 137729 140964 142133 151182 149715 141464 147992 145862 146676 138280 152426 146812 139023 148228 140528 Lys-Gln 91969 95936 57851 85903 62627 93079 61769 91160 64522 59816 58016 99707 92361 95037 103926 112719 97697 97046 108091 108014 105049 102380 105761 105917 145997 134867 127582 150450 148898 134497 152020 138254 153362 131002 130966 159361 151846 151834 148838 254121 153928 157209 155066 153828 161044 156576 156868 160254 152593 162661 92041 157269 150949 97164 102691 87763 95031 155552 93835 148713 159152 175184 174521 163094 160669 154826 157386 177502 169363 181722 175998 179592 157014 155366 161789 149107 157073 161886 160465 148678 144508 167361 161424 212595 172502 172378 179239 176424 170841 178424 168535 177832 193260 191016 172082 184050 20609 27626 27796 16059 24251 20998 19586 22608 17757 18608 23193 27483 23991 22128 22454 19757 22608 23965 21809 19547 21890 18263 19856 28001 12320 12524 6011 6203 7018 6565 6502 9796 12147 7604 12073 10147 5299 3930 3047 9907 6154 8523 3621 11955 3893 13881 2487 3220 137021 134505 144764 141622 155341 137936 152511 140295 130778 137194 144949 145131 157422 156591 143441 148206 151035 150725 142593 149505 153210 148606 160748 159281 Glu-Gln 252746 260747 220786 237662 237831 253315 236955 237061 251368 236490 242563 263223 263957 262265 273086 284888 269528 271391 283311 283159 280808 277122 284420 279206 41409 36677 35357 42767 43780 36351 43097 34410 41358 32869 38595 44094 44880 45907 45551 71778 45357 44941 46230 55763 45305 44579 46600 48903 89005 83941 60657 86638 74970 59806 61721 58824 61320 75531 60752 86267 88898 96972 89672 89237 92955 88140 87813 91159 94582 92150 93615 97122 38540 34325 37999 31673 38513 39619 39950 35109 32916 38347 32405 53412 41263 40814 42406 43250 39285 42693 41452 41524 46905 42361 39996 42980 51508 50136 52963 41144 47919 60763 44160 46348 43935 42263 59348 65124 66201 61116 61925 60434 63910 62066 61746 57903 60639 54221 57962 64775 18559 18232 14798 15599 16385 15355 18117 19237 18331 17312 18399 18194 16244 15184 11773 15898 16057 17281 15103 16322 13831 17127 14815 15391 28413 31393 34033 32376 36467 29976 37134 36619 26742 34296 34553 34982 40498 38276 38200 38471 40940 38804 38833 50394 40792 36756 42309 37469 Ala-Trp 130233 138618 128802 135844 131836 136702 115887 133944 121312 126338 119505 137685 132235 125207 133698 129441 130018 131440 138150 135685 123689 135210 132250 129054 117182 111396 107392 117939 119479 92408 124853 93271 114919 88751 101418 128489 116779 128274 118166 196493 115531 121211 119172 117760 124576 141867 142357 150324 302335 314100 715383 308493 308770 401809 418851 914383 424758 311947 1013292 290059 306278 315316 316293 313474 312640 304460 305619 314986 308573 326214 310162 313399 348306 297726 352198 259285 336953 340922 341271 289534 260354 340724 282590 293352 384247 374548 393123 384295 386881 386744 390912 393381 415728 401739 395448 411875 59599 63716 64728 39234 56284 60533 36984 59556 35330 57442 62374 64242 64401 64689 60667 64245 63730 62756 65195 59416 65940 61172 60071 69799 33517 36965 51024 46128 60550 47741 54476 31159 31897 60117 33493 32636 45316 45291 43553 45714 45699 45860 44500 43834 45601 47225 43605 45614 94547 113005 113904 113510 117659 98601 118483 109789 91446 108806 111885 116747 119483 121128 108305 115041 114391 112772 107573 116446 111208 111660 116360 115512 Lys-Glu 77995 84234 53297 65807 54135 69139 58703 70746 63783 51276 60386 72166 69238 65824 79883 82492 75465 78428 82709 80187 74037 80792 85003 86492 15794 8977 9122 15152 14563 7491 16206 7805 15213 8097 9638 18316 20235 18289 19775 43047 19424 20034 20123 16735 21517 19039 20357 21384 205854 208234 159067 211141 201220 151435 179490 148869 164144 201760 160538 204511 222556 238818 235866 220085 228316 220863 215958 251372 233784 254029 249914 260855 78550 63648 76009 59407 82988 80317 84485 63296 53652 82476 64907 107957 103940 106502 107575 107625 103534 110642 103595 106517 117533 117543 102757 110461 14161 21292 17001 15363 18800 17888 16882 15604 17315 15012 20368 21286 23116 20827 19598 17259 20059 19762 18769 16281 21010 17669 18089 21946 6956 8396 4394 5843 4539 4231 4676 1547 3203 4289 4351 3114 4662 3857 2993 7024 4668 6663 4044 7318 3537 9386 3626 4510 9557 12557 14400 11575 14174 8104 15503 13282 9198 12896 16775 15084 17778 20873 17542 15629 19364 19523 16323 15650 18033 20648 17740 21252 Thr-Arg 150402 156493 67439 136487 70539 143384 66166 138874 71178 68594 67608 148843 147652 142946 158824 158467 151507 152912 164478 161963 157567 159421 165734 159112 51659 46398 46224 53026 53048 43539 53763 46476 49954 42810 48572 54297 51084 49895 52132 91792 53477 54337 52339 39510 53015 51966 51985 53439 84742 80440 26138 87964 80179 26397 28512 25074 26668 80839 28083 85437 89809 99285 95424 93049 93000 87187 89021 99606 95356 103645 99632 103423 79989 85462 80920 32133 79777 83093 81332 84044 33258 83385 36254 114644 88559 82888 90635 87987 85867 85876 83338 87069 94678 89746 83770 86717 50546 42644 53670 30930 39647 64600 31289 46652 32126 35468 66249 72836 69525 67573 64194 58946 64032 66392 64205 59308 62379 56857 57877 72175 21418 25601 13550 12612 15475 13449 15019 9207 9524 15539 17465 9141 17474 16004 14149 23087 19297 22607 14020 28364 15330 31015 12641 13025 44332 46110 49312 44728 49463 47054 50835 44607 44322 46887 49443 48883 53747 53381 51781 51275 52223 52785 49673 45445 52385 49537 49996 51317 Met-Gln 31061 32753 27228 29548 27894 29072 20329 31604 22723 29279 21087 29608 29377 22984 29015 24118 29644 28303 31077 28789 23815 30938 30154 29621 6498 6361 6337 6365 6586 5537 7128 5330 7081 5471 7345 6669 6455 6702 7010 11425 6639 7106 7427 7258 7205 7956 6927 7629 44531 48132 42775 47313 44764 43196 44551 40293 42124 48181 40390 48778 50017 52616 49329 51873 52452 51621 51935 53498 49338 52676 54188 52762 14656 15020 13511 12856 13705 13837 13440 13617 11905 13341 12840 14720 13719 14969 13925 13227 13826 12888 12492 13523 14107 13292 14008 16238 7080 6463 7147 2016 5533 7025 2316 6484 2082 5553 6425 5852 6736 7124 6182 7380 7562 7321 5661 6671 7047 7549 7298 4086 2237 1831 1874 2044 1804 2449 2931 1602 1345 3355 2345 784 2411 1704 118 3185 2512 2351 2241 3033 2549 3293 3257 2941 7107 6722 7393 8122 9080 6997 6395 7931 7047 7879 6061 7168 6646 7282 6029 6610 7237 6791 6622 6908 5955 6032 6239 5999 Lys-Met 55445 55051 48855 52236 50578 54440 48423 51704 49326 49833 48606 56589 50036 53539 53298 54578 53564 55311 54217 55799 56289 55890 55383 53023 619 832 369 13467 16433 11847 841 257 44760 47724 47028 48319 45696 43548 46605 44796 45051 43893 46093 46347 43141 46440 48420 46140 45785 46949 46430 48262 48584 47229 45603 47851 909 9417 274 35160 283 264 674 14395 37561 1110 39666 16979 1296 238 377 843 683 41394 47877 45393 39016 43511 42046 37877 42008 35677 42894 37583 42061 43560 40480 38421 38601 36526 36963 38687 34712 38315 37654 36893 44339 11194 12753 4952 5342 4080 3798 5851 9379 8698 4224 10968 8590 2203 1598 3702 955 2112 1493 3292 745 3293 518 4095 4487 20243 1406 1529 15743 910 16481 Tyr-Pro 197213 178320 197353 188546 198230 197421 201123 193654 211147 200160 212157 190281 198790 189300 194029 202189 198801 200693 202358 200866 202062 206859 204377 201355 41025 42690 42102 42516 40397 44804 42099 44887 38401 42943 42676 39261 40762 40352 39886 39639 39591 39724 39521 38111 39419 38874 39151 38785 52732 50566 52282 52233 54476 51024 50639 48915 47846 54719 50369 49323 50739 53631 54670 52642 51223 48544 53892 51883 53336 52280 55175 50644 44708 53816 46108 53537 46106 47636 46128 51868 59479 49169 56982 51329 51898 49456 46760 49584 47843 49420 51583 50169 52124 51505 49481 49834 411461 417591 411138 406081 416550 395153 420456 404855 412789 419859 411469 407736 425976 426613 415403 417476 431136 415130 425105 402688 414113 406265 418158 431413 164343 170262 157895 157945 159462 156803 159413 170196 173417 156866 165392 169528 203135 203148 204434 192134 205019 197761 196756 207490 205287 199697 193041 194082 32870 31106 27964 31056 27963 31577 28396 30752 31818 27933 27122 28281 28591 28196 27084 27764 26998 28343 26966 27631 26254 26303 27073 26851 Pro-Tyr 195539 194086 208434 199006 220148 204780 207616 200448 226950 221725 222017 201826 193014 196381 204171 209948 198579 192300 208674 206168 200612 202580 206303 198553 113361 99309 94118 107592 107039 105017 108602 106701 106247 99551 98319 109496 104796 104534 102468 134210 109952 109853 102624 102695 108869 115448 107641 116185 147612 154655 167636 149780 154831 156253 159793 168782 155940 149634 181497 142143 152735 157573 158437 149831 155833 151162 154762 161698 155539 157852 161869 165369 103731 92221 96903 89910 97652 93303 98625 92965 88963 99585 99892 95763 85909 90775 91786 89638 86174 85686 88896 86530 86514 92698 80914 86898 117102 122439 127930 105878 116000 115748 102941 115866 102126 113348 114731 128887 120228 120841 113408 117322 119425 113761 122308 112110 110990 110073 114759 133928 52530 50948 73809 60419 81787 64634 63133 57012 54320 62064 56633 55206 50723 54594 86053 59203 59784 57907 59410 58095 61470 61260 58747 55573 124719 127287 124960 122931 128691 128159 126473 122114 120647 121857 130466 135195 128750 127069 122436 121398 134622 116385 123963 122679 143397 137614 146359 126091 Phe-Leu 554199 553426 164747 533085 187784 536730 22408 535521 26990 195433 18326 545343 521728 497336 548518 532548 551862 541628 575351 556129 526371 567795 577008 572204 140273 135965 134780 135413 138061 135593 140369 125121 134663 129999 134192 142760 136873 135966 133903 174787 136982 140970 132699 131385 133227 136687 134922 136145 3523822 3658771 723567 3549073 3438287 2421078 2154395 644131 2129245 3482390 854007 3620589 3882004 4075257 4017286 3933206 3928475 3906972 3811284 4015888 3953927 3935780 4079220 4050165 1047526 962438 1010232 893570 977858 995718 977743 960939 841206 1033963 943049 906783 1171404 1177276 1187180 1167217 1154254 1210069 1179172 1208640 1260497 1247666 1178271 1200084 170803 77907 169407 8084 72222 162812 6834 157997 6917 74404 169426 176284 181286 175808 173233 173405 178630 169284 174712 160164 167204 157431 169772 177608 125342 126997 155356 151056 170307 156100 162661 113481 119713 172057 126285 116153 179880 177794 173130 170760 170864 172348 172767 170111 160016 169336 164862 172744 211340 214793 232586 225368 231148 205242 237070 231447 200576 224358 232598 235428 221607 231395 222270 223871 233787 233920 223331 231927 229690 219256 237343 230944 Ile-Phe 1140531 1168427 804343 1140482 822937 1137961 390415 1116101 433111 836308 356411 1129236 1117439 1061124 1163380 1147535 1135533 1134498 1226460 1158246 1107833 1171424 1173774 1167109 421241 297618 280489 425153 405447 168571 417343 158130 394253 167247 280566 430259 438969 429726 429044 578500 438590 444921 443024 432377 438456 448913 445596 466748 1287015 1303221 988194 1252867 1274979 1132667 1128609 1038398 1145988 1252104 1206750 1249196 1305706 1351938 1369290 1354230 1316480 1305461 1318154 1409315 1349493 1374410 1409441 1403074 723537 567544 705849 489057 678249 674216 693625 567689 473361 716823 506699 542292 801961 779575 797496 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48398 51392 53972 50256 47470 43893 47113 48606 47982 50470 51192 13358 11743 9651 10425 11452 12792 12165 12195 11811 10554 10816 11105 6067 6219 6200 9655 6927 6215 6370 6556 7457 6942 7513 7007 29225 30308 87526 30497 28510 32468 32134 113043 33530 27273 120788 24728 30746 31500 28144 27059 29863 26556 27921 27821 29425 29428 29489 28729 10628 12378 10467 14877 11032 11074 10877 13130 14009 11044 11521 14469 9565 9107 9368 8425 7813 8563 8621 7939 9178 9063 9034 7880 14836 19720 17960 13254 18953 15856 12790 16606 12245 18418 16436 17460 17957 16704 15806 16301 15408 17188 16398 16365 16661 15569 14411 19540 7836 6378 7030 5292 6310 5121 6691 10942 9350 6068 9859 9743 2921 2036 1907 2918 2509 3068 1954 2331 1932 2931 2435 2111 41029 26731 38708 34321 37846 28297 38557 38725 34411 29722 34048 33427 41140 24616 23677 30962 31002 27634 27849 36864 38473 39540 31574 31590 Arg-Phe 470229 478705 361593 446457 358902 473097 329252 464874 353404 334559 332318 475674 474912 478635 494643 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254518 256243 252074 257038 246550 254952 259988 242917 257437 258145 Phe-Arg 106802 102171 14327 83448 10237 86998 12766 86685 9449 8975 11425 106968 101684 74643 99652 81105 104244 112549 114959 100978 77585 113883 111431 112513 72122 70331 73733 64281 68539 50972 69529 49717 66107 48199 72930 75108 64082 65916 64637 81632 65062 67660 65209 68955 64060 67065 63142 64898 323090 296442 15985 321167 265959 19342 16080 13510 14998 265727 13146 313555 324109 355653 347738 341037 337778 335067 338536 351369 351243 362384 369260 372140 165990 177834 166920 26602 161365 169927 173749 171959 20431 170326 27127 190248 178914 178807 174592 180966 174787 178206 172884 176662 186412 188354 177122 179650 12632 1656 12567 1302 5653 38163 627 7869 3959 3295 40966 43267 41901 40543 39516 38176 40844 38390 41827 38061 36062 34127 37867 45634 25832 30488 30653 28093 29098 29167 30259 2244 1799 30109 15191 903 24338 22793 21306 22465 22907 23456 24246 25475 20524 24054 24258 20615 92457 112890 113186 112898 110077 97110 116859 125464 101053 105744 112561 110928 116788 117772 112476 111501 120229 115555 117595 123888 120064 105920 112520 110618 Phe-Tyr 77195 77496 63931 76056 64784 76870 48604 77046 52856 63798 48737 75194 75629 70899 77923 77556 79041 76895 80591 79504 70535 74475 82100 79341 43201 39945 39488 43300 43413 37677 44783 36688 44523 38615 44809 46570 42964 45334 42119 55249 47783 47440 42703 40916 45443 46174 45898 46664 424558 443274 552772 428777 428434 420239 427342 583177 406399 428285 645132 429870 461985 474476 466148 463438 455327 450485 444368 464127 456036 474029 476107 467565 161131 151261 155307 153326 149870 149433 148696 152677 147685 158025 157191 146552 169463 170169 170766 167298 167707 168260 173127 170619 175599 174214 167213 174233 42224 32424 39949 11812 31888 40042 13537 37811 11261 31080 39590 40826 39026 40545 41431 39009 40208 41058 41029 37789 38754 35634 38918 41583 26201 23938 32924 34161 39295 34259 36488 25366 26799 36931 26577 25987 34970 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3149 3215 3500 2737 3796 2931 3516 2688 2588 2427 2546 2996 3050 2796 2834 2806 2762 2845 2748 2317 2923 2725 3068 Trp-Met 26502 25800 24830 26459 23838 26814 19750 26896 22062 23120 18023 25685 27645 24825 26616 25843 26632 27148 27848 28155 26762 27340 27359 27035 9630 9643 9562 7463 8770 8474 7625 8411 8015 8059 9673 6772 7637 7607 7216 9928 8310 7162 8458 7101 7858 8863 6315 8928 57224 63676 50769 55815 58652 54697 52151 55893 59759 61786 58091 62290 59362 67292 67355 65152 67849 67211 67527 70487 66463 68826 67854 63595 35456 33780 36751 35555 36268 36251 35527 35593 32737 38785 37901 37980 41412 44218 44834 41957 42165 40409 38033 41520 43013 37396 37949 42909 7933 7315 8993 2875 6951 8178 4286 7484 2950 7187 8699 9663 8356 8980 9097 7430 8037 9465 8169 8339 9640 8064 9436 9765 3441 3224 4383 6299 4552 6117 6576 5131 4661 6901 3896 4813 6297 4856 5828 6499 5713 4766 4756 3596 4553 4525 4444 5987 13599 14256 13138 15985 11876 13826 13175 14319 12285 12807 16904 11604 12077 13398 10768 12088 11668 11869 11710 10914 12635 11593 10291 13393 Tyr-Tyr 30488 32844 27755 29511 28733 30469 23144 29486 27083 25755 25869 30161 29785 26896 27844 27399 29418 31053 33262 31095 26469 33026 31418 33936 15472 15521 14641 17207 16272 14217 16629 15333 16194 14054 14958 15440 15885 16457 16142 22121 16210 15220 17350 15288 16167 16563 15313 17986 637820 671788 574164 648765 650407 595243 617122 502489 587534 656358 549357 627153 674388 712185 700101 682591 675943 665500 660862 687818 695790 705846 714851 707524 298227 286193 298548 284232 289886 293399 285108 282521 276591 308389 290696 293275 344912 338131 348399 338444 338580 346948 334477 349553 364767 357121 337426 346982 13700 11389 11936 4371 11949 13239 3584 14899 2765 10949 12266 13903 13644 14262 13614 13127 13438 15833 14301 12827 12571 13009 13462 13687 4890 5123 7465 6751 5806 7435 7976 5265 5566 7407 6149 5928 6965 6837 5879 6163 6562 5745 7294 7428 6530 6223 7493 6135 20830 20271 22133 21272 23616 20014 23750 21588 19746 21917 22061 22315 21291 23073 22307 22364 22966 23280 22897 23924 22588 21751 22506 22124 Phe-Trp 31522 25991 20091 30099 20736 30402 9046 30433 9832 22496 8916 29257 32361 23564 34196 31228 34149 30687 33623 33151 25339 34371 32112 32985 9533 9262 10410 9690 8948 11037 9255 8841 9827 10305 8510 8981 9046 8758 8688 11711 9365 8239 9211 8635 7994 8546 8825 9396 34214 35029 29934 35236 32317 32692 29884 33023 31421 32812 33419 33175 34407 35844 34179 33467 33838 32926 37994 34671 34155 35626 33739 36024 15662 15485 16683 18785 14236 16864 18549 17225 19398 15845 25141 17865 17006 18261 17983 18701 18628 17168 18932 19248 17732 18162 16774 17055 9019 7230 9253 2368 6716 9374 2446 9578 938 6259 9806 8393 9795 9290 7933 8525 8800 8927 9268 9022 10220 8792 9747 9837 6528 4393 3088 3535 4904 3789 5294 4610 4543 4227 4658 5615 4688 3198 3127 2627 3959 3458 2736 3205 3175 5174 3397 3950 13998 8209 9968 11042 7779 10180 8918 10043 9347 8451 8587 9009 7226 7757 7157 7326 7837 7718 6734 6569 8399 7930 9609 7562 Trp-Phe 39241 43130 26413 37881 26965 42156 15963 42216 16739 25103 13779 44037 38036 41703 37450 40253 35101 41072 40595 42389 43101 42345 43080 38814 9800 9552 9102 9408 9911 9575 9558 8483 8565 7861 8880 9929 8768 8471 9078 10957 8947 9851 8897 8430 9004 8553 9549 9001 42909 43814 28049 44660 42973 33383 34943 22984 33312 41794 28563 42692 42365 42781 45370 42746 43569 44252 39500 46162 46397 47321 46696 48199 28163 23009 26987 23685 24531 27195 24563 23093 22815 27509 25506 23963 32834 30451 31520 28626 28221 29828 28940 29131 30283 31284 27925 27490 22762 16559 25239 6233 16962 21489 5524 21530 5182 14046 19195 21673 21337 22708 21216 21026 19894 22069 23056 19050 19851 19990 20574 20795 2251 1711 3508 4429 4721 4075 4365 2591 2438 3613 2042 3427 3572 2386 2335 3671 2748 3716 4945 3119 4493 1976 3748 4449 4021 8274 8759 7724 8982 6933 9748 8949 8036 9284 9029 7787 9378 9558 9118 9008 8654 9534 9023 9730 9580 7656 7438 8376 Arg-Trp 80010 76345 68404 80652 70182 77499 58260 74190 66353 65057 57953 79834 77606 77539 82778 87573 82364 80869 84318 80630 83706 79899 83631 82489 17723 12762 16975 15515 17355 13490 16709 13815 14627 12345 14723 16825 13936 13258 14936 19730 14246 14745 15831 15148 14113 14784 14263 15131 24738 25477 22196 27184 23178 22412 24819 22366 23954 28053 22741 26100 28773 29258 30185 27823 28031 27209 27520 30142 29506 28963 29554 30068 19864 21112 21235 21828 19924 20135 21196 22009 21228 21357 22470 26452 21662 20066 20876 20563 21152 21531 20965 19335 23063 20324 19127 19664 42568 44250 46081 32096 44412 44793 35386 44538 32162 41661 43323 46038 46511 45331 43894 41602 41857 44469 42866 38760 42268 39668 39708 46831 17873 16474 12492 13332 15910 14042 15699 6260 6459 14843 16217 6761 14927 14630 12092 16286 14728 15541 14713 16388 14600 16861 13619 14195 14229 15188 14078 14891 13525 16539 15567 13187 16346 13776 12495 14176 15715 14752 14554 14654 14785 14276 13008 14529 15257 13713 13864 13455 Tyr-Trp 21188 22518 18139 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39289 17447 41444 17879 20246 21182 26183 36383 17368 17812 43316 13685 1564 16619 14141 2792 2874 3377 535 739 46945 77 44418 81799 224 33240 97 83 82627 82935 83027 78138 81237 73320 68162 77531 70102 62719 72861 68884 79287 51227 3033 2227 1057 2340 1425 3105 3101 2878 3867 2673 4589 1138 205 997 624 169 451 171 1598 10470 7228 8755 2436 10700 2590 1228 14238 7198 6871 185 158 185 169 DOPA 4034 4442 5327 4393 5176 4618 5045 4470 5389 5342 4766 4736 3501 3741 3982 3874 4228 4127 4383 4315 4105 4834 4751 4656 1772 1883 2008 891 1832 1445 2015 1480 1532 1963 1709 749 123 885 1611 147 1436 913 1465 77 752 169 232 190 1471 1371 797 1250 1410 993 1143 1189 1387 1414 1196 1436 1100 923 1294 1205 913 976 1217 1538 1389 1331 1202 815 1316 1326 1569 1108 1345 1361 1544 669 1389 1742 1003 1021 1446 1128 1347 1230 459 416 665 370 1265 718 753 939 2463 3083 2466 2215 3144 2186 1293 2885 1735 2343 2058 2681 2540 2235 2272 1963 2423 1786 2212 2485 2151 2172 2075 2925 1152 1476 2557 2548 2143 2455 2711 882 1574 2110 1700 710 2620 2894 2292 2157 2346 1849 2458 2419 1867 1756 2052 2172 532 731 1056 879 966 813 986 661 984 1070 909 561 477 777 858 460 616 417 697 1022 602 779 967 548 N-Acetylputrescine 48176 48878 46150 46835 46876 48381 49832 47907 48890 45214 49198 46499 48002 49087 49674 49485 49877 50063 51941 51776 51910 51652 52731 54346 19378 20695 20920 20634 20563 25208 21295 26046 20707 26166 22547 21995 20406 21123 20812 21741 20005 19674 18072 19183 18458 19207 18067 18915 95994 97024 97771 94254 94771 96271 98177 97895 96932 93315 102366 92977 94962 96188 95420 95116 97385 97064 93851 97023 96705 99492 96214 96141 72533 77072 71279 75289 72508 73921 71079 75515 76602 71732 76002 70793 77177 79150 79230 78804 81428 81084 79762 80307 79141 80819 80138 82608 33773 35212 34239 35708 35284 32834 37376 33758 35811 34363 33606 33417 33511 33396 33339 33857 33844 33382 34095 33577 33146 32094 32384 28914 23093 23005 19584 20184 21230 21458 23148 23133 23090 22601 23876 22219 22346 20848 14028 24021 22324 24466 21624 23922 23020 24190 23163 23042 17071 17495 16446 17406 17133 19050 17741 17386 17759 16736 17239 17825 17647 19182 18029 18575 19204 19243 17631 18974 18911 17742 17377 16752 N-Acetylcadaverine 1335 1311 1339 1150 1934 1553 1704 1414 1877 1284 2176 1216 1143 1971 1245 2012 1491 1112 1228 1829 1894 788 1070 1486 5755 5955 6065 6262 5812 8190 6039 8336 6527 7314 7224 6874 6076 5810 5836 6982 5938 5883 6191 6094 6277 5908 6323 6364 17158 17012 15855 16081 16734 15777 16225 16571 15232 16855 17213 17492 17398 19292 17999 18111 17975 17397 17218 18374 17726 17068 18894 17889 13243 13795 13656 13882 12142 13378 12631 13424 12800 13372 13433 12806 13528 13383 13728 13652 13834 13845 13393 13795 14501 14096 14217 12882 659 552 659 928 777 795 1172 718 986 632 708 683 441 484 593 520 496 523 335 534 353 410 636 192 523 590 333 333 323 194 342 392 714 449 726 588 48 35 70 74 75 6229 6132 5510 6049 5964 6461 5900 6107 6508 6200 5972 6176 6078 6234 5915 6087 5874 6363 6015 6669 6599 6003 5945 5588 N1-Acetylspermidine 131475 133468 122524 130979 126084 131590 129570 133001 131384 122110 131618 132467 140878 151959 145586 159780 132280 135613 139475 150409 159360 138101 139812 139534 41596 52218 50036 38621 43900 73142 45253 69637 39547 73309 51948 38675 33551 34535 33169 34484 32286 33688 33059 35965 33555 33462 32763 33255 58586 59855 62492 57689 58552 60227 60888 63829 59140 59871 69647 58527 59519 62179 60904 60994 61927 60208 60974 62287 61380 62249 61410 61874 124243 166291 123956 183479 117842 128913 133030 168897 194298 145837 198261 168983 135206 132942 136375 134541 134398 137584 137126 136077 137576 142103 135486 134992 51482 63500 54105 63271 59435 50419 65746 50872 65920 57021 51315 49269 51651 48423 49266 49467 49557 49345 48146 48754 50268 47765 48752 48475 66546 67692 33355 37975 36274 38182 41396 64694 61980 38869 67070 59170 40809 36738 29526 48977 39681 46518 33954 48276 40076 53074 36741 40200 59840 54239 46379 53943 41707 59773 38733 57335 54602 47614 42697 39688 34280 34331 33814 34131 33585 35667 33104 38068 34308 33092 36337 34456 N1,N8-Diacetylspermidine 50207 47488 50632 47814 52334 49192 52689 48843 52967 49425 51817 48019 60418 73355 61328 77548 49583 50219 51334 61859 78216 50660 52266 51144 33207 83845 75547 26153 43924 141028 42386 137620 30676 145249 84395 24299 7937 8285 7835 9766 7895 8804 8069 7844 7860 8598 8083 8683 35873 36888 34766 36394 35856 36001 37115 35675 36054 37130 38649 35421 36147 38449 36360 37836 36809 37177 36629 36639 36395 37106 37868 38014 64187 174473 61409 328978 52891 74262 98497 186573 336667 109581 348372 204485 38715 37797 39084 39124 37828 37343 38598 38832 39608 38977 37651 38111 73989 73652 72067 72132 72862 72199 71525 69560 71248 72655 71683 73413 74711 74560 74158 74289 75681 72726 74303 71948 74123 71351 73469 76232 76392 84676 23209 35053 28722 28804 37958 73295 88634 29432 86367 84997 8431 9023 8662 8890 8414 8759 8508 8789 8492 9509 8550 8167 101124 77426 49639 73341 31236 107729 24902 64111 97400 44849 32897 29989 8898 8772 8255 8540 7582 8267 8295 7996 8259 7330 8049 8116 N1,N12-Diacetylspermine 33019 32740 36594 33491 44776 33813 49442 33028 40880 38201 37296 32658 65050 96145 68600 100656 34007 34461 36245 68182 99908 34989 35382 36016 15756 40132 35377 9331 20912 64317 20339 58545 11230 63916 40257 8682 973 809 886 812 1235 681 1114 1026 1078 880 983 661 4570 4012 4183 4250 4433 4259 4065 4735 4610 4022 5215 4263 4739 4566 4329 4338 4512 4546 4331 4492 4435 4817 4715 4406 23718 92551 24321 155966 16789 30431 46529 102712 185512 61494 157876 121397 5275 4879 5210 5103 4990 5122 5075 5176 5161 5650 5035 5255 1200 1241 1257 512 1062 1637 699 1490 762 1248 1525 1192 1006 1121 1212 1367 1177 1421 1537 1275 1216 1412 1264 1080 33620 36392 11862 16933 13602 14682 19370 30573 34464 14911 37363 31929 54 144 52 104 42 106 65 53 46352 36170 22248 33656 13241 48717 8813 30384 42521 20940 13130 12282 1228 1222 1176 1308 1030 800 894 912 1231 1092 1025 1427 sn-Glycero-3-phosphocholine 23146803 22640657 39961 5992344 33544 5237763 32154 7934895 34292 32007 30107 23198611 24156788 24018609 25520148 25330531 24023001 24668461 24817365 24727287 24719270 24923119 25142000 24891068 7260763 7244063 7139731 7329251 7254014 6934443 7487885 6990954 7487430 6759479 7146356 7482684 7247519 7276427 7301551 7883827 7176454 7412982 7244893 7114086 7320066 7330382 7334017 7460584 18883816 5772693 17656 19015512 4392886 22111 16402 16014 14192 2705691 15690 18774636 19726783 20515139 20259806 20173766 18636873 20329094 20070841 20439921 19980691 20646941 20863783 20981679 22777097 22510600 22700754 21480888 22238298 22350425 22381549 21939510 21868439 23133876 22350016 21521595 25852774 25658739 26049528 25865239 26149180 26325907 25412878 25799646 26818556 26487556 25685966 25988859 6070857 14742 4839496 9954 11371 15204828 12560 4677120 13810 11126 15585485 15938289 16902655 16317438 16071038 16128336 16961055 16634261 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98167 98191 103143 98444 84765 84514 86650 83688 86544 87019 85904 87582 91104 89551 86452 87474 132915 146218 135772 133976 142350 133011 138701 132838 134371 133102 131869 134301 140609 134493 132159 129679 134713 133159 135369 129250 133063 127217 130965 132619 122770 125493 115975 115532 123352 117940 122398 123755 127559 126029 124726 122156 119771 118865 115471 117938 116255 116154 118836 113294 113567 120739 114811 117393 188266 184142 186796 190809 190157 188460 192703 189104 183788 179245 185944 188058 187621 191409 177566 187707 187287 189699 179352 186951 192241 177593 191221 184474 Diethanolamine 49686 41147 770979 55084 59649 31889 81176 62648 54521 123957 56461 130113 33967 65419 234075 49979 41937 64647 106174 58199 25591 109408 101298 111362 218980 233632 289301 329444 292749 224842 226062 220866 270018 275980 395956 400996 291718 295740 347355 332234 275824 411203 241022 291040 279948 234725 239557 194966 207201 290400 349197 366516 194608 205289 289377 186244 262059 191128 118834 131702 125817 148753 132669 135876 134209 137851 143094 129964 137922 481804 55054 102677 1279531 1292904 1193177 1130384 1086653 1018990 1018005 995792 922047 853514 870748 823854 952916 969644 1051822 990262 1013792 1034602 1066212 1169926 1171472 1229383 1367120 1337680 89352 65697 43090 32217 29600 102690 51879 6554 15487 43613 62795 41145 59356 39425 40013 22640 65705 9136 43780 94953 33717 107278 50142 85448 43946 46849 99537 142455 64324 156580 135937 40467 41009 41000 11384 25572 52453 20998 51934 42705 74844 87945 56819 56083 68843 42808 35934 236151 316226 195529 144987 126005 132963 121502 138056 114274 152563 111613 93145 127583 115582 98766 84442 106069 106459 138809 85794 119887 192747 320257 219426 Histamine 32304 30970 34776 31509 38554 33886 39699 33635 41758 38159 40481 33251 31609 32397 33853 34295 33064 32489 33099 33781 34265 32431 34678 34238 52654 49881 57807 53803 69110 69652 35297 69585 46143 70476 58605 55467 35342 54057 62641 54108 48503 49388 35693 38579 53829 43363 55533 51593 14182 14908 18432 14385 14741 15979 18197 17669 17147 14456 18371 14163 14880 15364 14719 14745 14849 14899 14420 14538 14112 14974 14436 15371 40077 49138 36205 25790 37269 35958 45557 48476 25747 36071 26952 41106 31547 32424 34764 31155 37320 32603 35948 31322 32840 32178 35143 31735 6882 10746 7871 10615 9584 6431 10723 7330 11101 8765 6592 7262 6765 6625 6686 5747 6299 6363 6242 6131 6099 5715 6158 7228 8078 9531 25867 25269 28808 26128 27436 8522 9156 30018 8897 7167 28927 26831 24110 16244 30514 36904 27739 35525 27007 36746 24995 28007 65770 97102 75961 104867 53470 65551 63276 103354 64605 89892 76180 50029 63428 61995 66910 54783 69204 38678 53491 67098 99895 68242 60294 64636 3-Methylhistamine 4436 4270 4191 4228 4445 4513 4539 4559 4675 4277 4666 4489 4350 4587 4759 4796 4323 4604 4563 4955 4820 4413 4771 4557 9765 9884 9593 9678 9341 9833 9661 9617 9232 9191 9706 9445 9639 8974 8938 7565 9030 8912 8963 7832 8989 8920 9383 9230 4774 4847 4915 4671 4868 4710 4923 5070 4925 4583 5424 4638 4710 4767 4533 4719 4749 5011 5024 5000 4998 5331 5083 5011 6112 6272 5894 5901 5897 5868 5741 6044 5893 6295 6125 5391 5483 5368 5491 5883 5687 5373 5588 5412 5365 5605 5544 5428 523 769 649 467 594 376 559 363 590 676 618 372 387 439 375 448 592 403 427 421 473 355 513 467 1779 1514 1416 1343 1293 1503 1637 1682 1555 1432 1861 1480 423 277 215 535 411 415 365 370 383 450 435 405 10332 10810 10771 11130 10877 10631 11203 10620 10581 10650 10961 10564 10687 10964 10716 10563 10170 10474 10230 9532 10567 10293 10938 11101 L-Histidinol 4076 4271 4055 3467 4112 3817 3827 3674 4299 3845 4682 4057 3940 4184 3653 3991 3776 3846 3657 3925 3899 3680 3871 3902 157 199 1523 1346 1421 1703 2042 2028 1882 1812 1809 2000 2008 1838 1641 2034 1472 1727 1977 1781 1884 2131 1915 1894 1992 1883 2176 2376 2217 536 4837 246 5506 275 189 1077 4142 6109 374 6208 5577 296 278 2179 3939 2639 4132 3476 1625 3822 2559 3488 3521 1974 2287 2179 1869 2082 1477 2031 2547 2341 2299 2434 2147 2721 2607 728 465 210 417 278 464 1671 707 467 1503 303 1397 154 N-Acetylhistamine 634 566 399 633 530 362 611 366 519 456 359 454 621 444 496 783 683 467 491 544 463 624 299 248 3139 4055 3958 3021 3531 4924 3368 5068 3309 4634 4085 3475 3391 3156 3317 4005 3134 3656 3381 3077 3388 3160 3443 3314 11420 11007 9076 10755 9921 8944 8875 9002 9234 10286 9243 10910 11472 10742 10374 10588 11000 10973 11393 10294 10365 11566 11222 11686 6134 5876 6170 6636 5593 6088 6177 6580 5974 6467 6463 6636 5989 6554 6761 6281 6293 6385 6273 7083 6626 6825 6520 6794 116 93 98 85 116 110 150 214 159 86 91 71 83 98 73 40 120 69 73 49 358 519 370 303 547 423 452 469 491 383 359 435 206 111 96 181 35 105 176 98 146 136 87 5052 4351 3532 4099 3462 5241 3308 4366 4592 3333 3701 3205 3654 3112 3435 3085 3476 3588 3301 3532 3481 3442 3504 3615 Triethanolamine 1450 2367 745 2457 1321 1821 4735 4955 634 894 1278 1978 695 882 1462 574 1663 1955 742 921 1281 951 2535 1806 1695 1927 3001 6304 3414 2266 3774 1495 4563 1864 7279 2772 5020 2841 3905 2606 1878 3708 1551 2990 4252 1220 2657 4004 3523 2536 2198 2469 2780 4673 2094 2060 2863 4420 2727 3171 1695 1530 2036 2601 1821 1682 1972 1816 1694 1737 1459 1243 2172 901 1372 1882 1307 967 924 1138 887 1637 1548 964 1289 1406 686 1379 1387 1205 1249 1037 1133 1515 833 1392 836 838 984 983 1384 917 1621 884 1119 2315 1117 1147 932 2234 918 1436 961 1231 947 1723 979 2326 2491 1470 43 397 797 1066 327 762 2637 1526 1116 681 555 206 995 1651 599 304 390 164 114 515 66 195 657 661 771 543 1144 384 714 1753 344 1492 451 549 1762 717 730 705 873 1001 475 639 680 6515 678 3402 Tributylamine 10323 3481 2607 2932 19793 850 3716 3940 7929 2714 938 1467 1056 2453 8087 1809 818 1434 1417 1403 863 1668 1347 3121 1301 2399 3102 2156 3193 1599 1449 1814 14545 2278 28796 1980 3132 952 20135 960 2540 3934 1604 6861 10896 962 10629 2106 7363 6428 5198 3809 3232 14727 8762 993 1810 1503 7025 1771 3237 3599 4976 1940 11181 1247 2501 59153 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1241482 1249033 1232639 1273475 1280059 1261361 1416314 1390571 1397083 1331639 1365449 1397583 1385304 1353684 1358450 1379685 1338141 1243584 1547572 1533424 1536938 1548122 1556476 1529442 1538231 1554495 1545709 1557618 1519142 1526346 883900 897820 882034 907633 909533 894589 908617 875919 926029 902952 898571 889667 900266 903399 915303 910283 910128 903142 912903 897923 916267 889773 902024 924469 871979 901192 888555 892885 907167 893207 880490 894221 876259 904318 866284 888184 1021182 1018932 1037920 1013908 1017211 1009781 998999 1016076 1005136 999195 1002068 987991 449332 459211 455441 461334 455580 446597 450009 453615 450601 453783 448187 451210 457437 450947 451685 431830 450719 458831 444905 442935 461441 449469 469420 457442 Choline 3361960 3439764 6572468 6105624 6548490 6280014 6549105 6041171 6637164 6539597 6531626 3551170 3136242 3140359 3196498 3201831 3203289 3227667 3213286 3166622 3148163 3259634 3221880 3200323 3638497 3468291 3492544 3672033 3690606 3411957 3638536 3376462 3695974 3385551 3504887 3711076 3751649 3738755 3699233 3902977 3706970 3773442 3683155 3561590 3724920 3701797 3711780 3723283 2052556 4764947 5371903 1943859 4952652 5405497 5358526 5466064 5483583 5143133 5444588 1897652 1597701 1616397 1586885 1620762 1610719 1594339 1600276 1600434 1610155 1642593 1634223 1615244 2051282 1793422 1991925 1706609 2002668 1985248 2024037 1778766 1675128 1978768 1693078 1640383 1856665 1780749 1817409 1804939 1827101 1831233 1847517 1820107 1824370 1835827 1837023 1793268 4495910 5389995 4769331 5372494 5375113 1936613 5253363 4693206 5348724 5454139 1799246 1867665 1420973 1423521 1410286 1405047 1401814 1407277 1434506 1433023 1395627 1359377 1393317 1441240 954298 914528 1675852 1570831 1663322 1613091 1669056 1032695 1074846 1789242 997181 982177 1289673 1300001 1297296 1312247 1305274 1324104 1270567 1273315 1260595 1296869 1280993 1270572 3429461 3583644 3598137 3623050 3787273 3430961 3825483 3612487 3394079 3691811 3704916 3770166 3831063 3877481 3832094 3823884 3820465 3823057 3786470 3774832 3897632 3821358 3886608 3823982 Acetylcholine 9214 8995 9813 9312 10574 9302 11074 9787 10829 10018 11047 9546 9878 9295 9105 10796 9847 9760 10661 9611 9850 9819 10470 10147 4936 4733 4270 4704 4712 4601 4544 3958 4204 4426 4685 4759 4745 4163 4440 4380 4576 4219 4313 4492 4232 4849 4726 4036 13047 12699 13432 12286 12388 13829 14078 13282 12776 12539 13869 13610 14234 13243 13665 12930 13959 13723 14038 13396 13175 13278 13186 12152 15331 14607 13790 14458 14240 13636 13854 15911 13911 14631 15082 13158 13362 14152 14010 14701 14081 16072 14387 14141 15042 14890 14646 14954 7523 7957 7523 8483 8086 7738 8867 7993 8354 7723 7119 7057 7517 7092 8055 7592 7602 7448 7445 7165 7788 7428 7642 5725 6756 6846 6452 6332 6648 6640 7210 6478 6389 7048 6854 6465 7560 7410 4930 7764 6565 7851 7190 7682 7705 7481 7526 7478 4130 4716 4259 4474 4323 4704 4184 4225 4660 4269 4187 4505 4227 4139 4290 4284 3988 3997 4168 3895 4594 4331 4190 4478 Choline phosphate 713009 709810 707175 716462 733661 738836 707258 733560 754585 711988 726266 736749 732722 731994 772815 781934 741033 745036 790597 782760 771160 773665 780415 767884 581243 601495 603096 572643 595618 649029 598729 664268 569329 640978 589918 607096 545280 556425 540249 812311 559624 582621 569203 565335 568657 577930 567267 592232 259887 265357 260037 257936 257504 251899 267307 253512 247910 255071 284115 249864 255152 274554 269348 257031 230438 264400 265454 277849 272051 281415 274578 265779 309640 374601 305858 426067 294022 302529 313236 372746 439619 320042 458846 396567 254449 252881 247615 251790 249092 257115 250990 259748 269879 266209 249943 259942 226560 251261 237761 230778 238048 217887 231637 221473 228306 232825 224610 227389 231016 223620 226122 220761 227898 217039 226148 210692 220772 204456 216588 240039 319953 322325 195455 191950 212750 201252 210579 375110 381671 218896 318517 390704 146012 146056 143303 138230 142095 137290 136400 133823 132332 143170 125087 133816 654938 600125 581365 610226 563049 631805 578051 624971 607418 544084 572827 556151 556487 560403 520368 552939 548961 550294 527819 560520 553336 533937 547049 559639 Cyclohexylamine 4223 6849 10358 6920 18145 9191 41120 7377 22729 11629 26232 4488 6852 7921 6952 8602 6169 5635 6035 6957 7946 5124 5040 7210 52785 73790 47578 32811 47907 113828 61843 73886 48371 117250 85324 49579 35281 43975 42476 44590 36959 39268 32088 36803 44756 42318 45757 37057 4615 7503 40271 5261 7803 20265 22491 34786 20698 12583 26495 4186 15126 9651 12638 10108 12908 7630 6988 10531 4016 3477 3994 7729 12941 39316 9555 62005 11699 29696 19981 41756 45607 13801 57945 22651 4261 5677 4657 5245 4840 5582 6116 5750 5834 5656 5912 5801 9999 24541 12850 28513 42837 6554 55821 12447 43574 22609 6100 4763 5704 6866 5944 5780 8909 6677 6768 9468 8217 7881 6154 9017 54303 54003 11093 27537 12437 24817 16558 55715 39566 15683 26993 61211 7154 7426 5545 5571 6287 5528 5801 6680 7306 4643 6796 5799 63470 63080 53352 44946 40878 39783 40347 72072 94660 43664 61752 29471 39553 43394 39182 41391 29795 39185 35625 33261 38733 36055 36386 27410 N,N-Dicyclohexylamine 6041 3946 4148 3665 5137 2917 3005 4174 3248 2773 2116 4306 2611 2729 4066 2844 2727 3388 2648 2861 2963 2729 2929 3421 2683 3490 4952 6380 3591 3133 2612 3303 4990 3699 6734 5010 3867 2967 6115 3618 3075 3866 3552 5389 5214 3507 5049 3807 6126 4048 5813 3827 4102 9003 5575 2587 7924 3784 4249 2906 3605 3478 3835 3687 6031 2139 3852 6621 4257 4758 1920 38192 3151 2780 2996 2260 2594 8269 3976 2830 3487 3549 2268 2475 2202 4669 2562 1531 2572 3098 3894 2823 5199 2440 2534 3861 1637 2436 1368 1438 1491 1940 3327 1349 1809 2677 2074 3518 2015 3107 879 3227 2565 1794 2424 1604 1977 6244 3571 2120 7696 1511 3813 1808 1573 2157 2849 1837 1405 1663 1496 755 1033 3349 1209 2787 1484 3518 1416 1034 2655 1946 3081 1670 8273 4333 5742 2270 4489 2142 3327 2763 3729 4466 3743 3376 7984 3791 4890 2303 3665 2206 3069 5052 2805 3814 3200 2442 Methylguanidine 24089 24566 25113 23604 25079 24369 27046 24601 27309 24332 26510 23781 24533 23855 24762 25494 24620 24200 24603 25454 24920 24683 25110 24934 42034 41725 41195 39790 41542 43777 41180 42974 39180 42359 39846 40296 38430 36886 37936 42825 38582 36995 39181 34811 37923 38180 39064 40294 55955 56920 62795 55580 55392 57729 60912 62160 57731 56562 62347 56383 59105 57835 57928 57659 58781 58274 57690 59324 57951 59337 58052 60275 48349 54958 48330 55317 46059 49233 47299 54317 55354 49339 56762 52543 51852 47447 48450 49779 47552 50237 47034 48752 50319 49971 48030 48581 7711 7521 7673 8416 7689 7945 8650 7741 8267 7773 8060 7810 8110 7946 8206 8150 8208 8316 8425 8413 8193 7936 8075 8667 8815 8912 8865 8797 8480 9034 9134 9833 9674 9532 9226 9253 5837 5606 5762 6346 5769 6243 6370 5947 5979 5493 5894 5975 36610 36533 36087 36428 34912 36841 35571 36056 35795 35960 36590 34526 33228 34065 33444 35061 33401 33594 33432 34961 33990 33636 34440 33252 Agmatine 17082 14033 25915 11772 22120 10471 26721 10551 27981 22148 27864 10259 9513 9518 8782 9702 8516 8761 9067 9790 8546 8909 8721 9162 8392 4127 2518 7740 7192 897 9353 577 7003 864 4377 8397 10069 12677 10257 8676 10996 11887 9447 12984 12038 10998 12781 11807 7404 8092 18024 7473 7917 10763 12323 20214 11327 7902 20562 7280 7296 7370 7754 7497 8154 7173 6980 7933 7776 7703 7996 7797 15497 9480 15690 2581 14887 14407 14958 9902 2594 14222 2319 9735 15801 16407 15493 16905 17592 17880 17542 17461 18032 18506 17362 19035 2615 9634 2810 14211 8943 1728 13746 2759 16189 8560 1840 1816 912 998 948 697 790 977 743 864 863 941 718 1102 3954 3251 3661 3039 3307 3264 4730 5174 4051 5275 4772 3082 3580 4766 3949 5673 3912 4247 718 5336 20742 6845 25340 555 26125 4432 412 22140 20760 24591 28157 28602 26022 30586 27769 29542 31448 28755 27362 27874 23859 29181 Creatinine 2229979 2193757 2207767 2216549 2235385 2251147 2352743 2208263 2414078 2239059 2398797 2226149 2143135 2232022 2280438 2352571 2240682 2295110 2347422 2364760 2334640 2277994 2373029 2374370 1394772 1420760 1387638 1454270 1378947 1422006 1423892 1339415 1358270 1281761 1319189 1385025 1332174 1394675 1337611 1819886 1321277 1378810 1377448 1344314 1393099 1382906 1378390 1422134 1900999 1949069 2015581 1896207 1893997 1910258 1968497 1967100 1947535 1973483 2097681 1938241 1921642 2014221 1986608 1960306 1948671 1964407 1940034 1981263 1986498 2012972 2053477 2017683 1485246 1503052 1477035 1490940 1443142 1442100 1460912 1452635 1463115 1492837 1519267 1481423 1521101 1515202 1514316 1531517 1514136 1545872 1482118 1551415 1584221 1564319 1534281 1478982 1394340 1577077 1377494 1971513 1516722 1356310 1903605 1369584 1837278 1521374 1372901 1385965 1365380 1347360 1363617 1368993 1357606 1338804 1373108 1302813 1353278 1324781 1331213 1387933 1096613 1100504 990714 985166 1069542 1041730 1022506 1132913 1170317 1076439 1092559 1202930 1059927 1060317 1025529 1021502 1026293 1019136 1034465 1013922 1017472 1037122 1024174 1044272 1313120 1266918 1269658 1311442 1296500 1289787 1338580 1289086 1249288 1247598 1285893 1294536 1345889 1343535 1265277 1314620 1315083 1311222 1279794 1332597 1327644 1295258 1348768 1353006 Biliverdin 7734 13156 24576 27405 10152 20585 641 520 273 627 451 4 10036 7549 12010 9249 1641 1815 1118 2541 14735 3506 290 158 39 89 125 77 128 148 9481 605 8710 121 11705 1192 8780 499 409 10948 10592 35819 31804 39895 31095 33940 37826 46919 31006 31994 28807 25299 26277 43474 30131 35623 56628 44777 64919 51777 43536 47119 45593 53656 50871 Quetiapine 12149 12486 5650 13714 5894 13255 688 13397 670 5873 13481 14240 12390 13809 15525 13157 12652 12947 14257 11870 13468 11914 13093 11847 11741 11527 13537 12183 11567 12754 10259 14155 10393 10840 13558 12549 12747 14743 15652 12142 12648 13533 12921 12095 11911 14316 13071 12305 9909 6753 11316 8707 8555 9273 7220 9533 10034 10707 11494 9448 9104 10422 9903 8734 11451 10633 10500 11634 10839 11453 11442 15600 13590 15771 13790 14970 14929 15782 13683 14325 15203 13561 15127 16073 15536 15488 13788 16139 16093 15900 16151 15360 15873 18743 15114 9212 319 8140 8343 7002 8560 8710 9746 10077 8128 8119 8213 6252 7534 8571 6882 7871 8019 7884 6347 5291 5623 5613 5352 5994 5916 5625 5427 7723 5995 5315 6407 4632 5713 5634 6911 5271 5128 6501 5264 5604 5275 5409 13105 11778 14510 11891 14301 9541 14553 14648 13248 13109 14571 12416 17168 17183 15417 16185 13673 16191 14732 15083 14250 14701 11666 14774 Biotin 82504 74778 89563 77311 94066 75327 96632 75137 103791 92753 104427 81379 84999 87100 82465 82412 81985 81170 86211 84990 79060 84007 86663 90610 317195 356434 357975 275966 322159 444714 324872 440187 288220 435980 404372 324522 183404 265088 189841 285551 189455 239548 197619 252552 247890 253616 243309 189693 721456 749302 772306 746390 725073 746947 760860 734679 715966 711523 856832 699062 762122 842628 783657 786147 795118 780094 771325 828184 806948 817006 822443 814455 940708 973383 898878 988769 894360 941391 941459 984919 993490 978038 1043653 908246 977114 913196 928122 936541 937416 959625 920493 967149 1021231 961500 913711 951524 1072938 1086295 1145089 918411 1027952 1044608 939361 1021413 881273 1032915 1132345 1184245 1189633 1186935 1122041 1126251 1158828 1058650 1096320 1087344 1123058 1084474 1122601 1111156 799885 791951 784492 812964 778451 820298 799774 815894 835769 842313 816126 795443 957549 968784 901226 923307 967122 928815 944423 955389 954098 914936 932175 975330 757800 723292 676558 712217 661680 742162 600879 676511 751970 647952 624332 602378 569156 611838 579917 594340 570859 589219 630676 589186 639181 633443 644242 687526 Arecaidine 24 18 2396 2437 2577 2446 2238 2736 2184 2221 2460 2728 2472 2488 2663 2460 2624 2824 2669 2639 2653 2977 2573 2880 2442 2646 20 21 17 35 60 31 19 27 24 17 18 38 47 28 Imidazoleacetic acid 2122 2116 2066 1761 2258 1968 1760 2142 2218 2123 1945 2196 1933 1880 1946 1998 2158 2214 1757 1775 1903 1944 2249 1778 2475 2357 2490 2436 2247 2517 2542 2638 2266 2505 2609 2444 2196 2336 2445 2704 2432 2392 2530 2558 2413 2657 2469 2352 5024 4726 4581 4566 4852 4862 5008 4964 4609 5123 5514 4773 5415 5344 5316 5263 5200 5315 5849 5441 5011 5434 5419 5663 4007 4180 3948 4078 3830 3677 3756 3867 3787 3698 3782 4680 4280 4156 4457 4156 4267 4338 4076 4184 4160 4095 4397 4205 396 391 220 408 433 349 443 270 427 357 368 443 492 589 473 179 318 389 335 306 255 271 285 306 690 724 445 397 480 649 474 621 735 481 706 203 437 209 103 493 383 437 399 594 363 407 388 298 2318 2238 1979 2612 2176 2284 2011 2481 2144 2119 2194 2329 2522 2233 2166 2215 1914 2783 2184 3075 2276 2186 2267 2567 Urocanic acid 185887 192093 40857 793625 48088 698957 38167 704248 39612 80881 29852 240684 173907 244396 172125 257015 143316 115965 117926 170694 254587 114708 160284 124926 48211 123803 46345 45403 50809 44236 40680 46148 38482 49094 49580 51333 43248 46110 44347 24277 39575 39383 58425 41172 40402 35733 37763 29488 2166017 2594961 69467 2111313 2625580 5246239 2443042 98721 3926918 2536888 122290 2198973 2200868 2260540 2224863 2219231 2242022 2278091 2248946 2276880 2242024 2308050 2252198 2276283 1585507 1708418 1535143 1589457 1594827 1590069 1569656 1648442 1610632 1557407 1515149 1637624 1846927 1782653 1752555 1796404 1769991 1813326 1784972 1771437 1827305 1749719 1725064 1850466 524694 38476 508138 15020 30393 88779 20630 603189 21376 33955 62784 71919 29289 24932 43110 16692 41337 17234 38840 53102 43375 36646 29562 39194 30535 32038 28882 77423 28790 33285 41807 33728 25460 38472 28553 41595 19061 13067 16685 13805 8401 9400 21933 12087 9634 16134 11768 9524 54179 50098 52165 45926 42264 45303 45258 47118 50136 56396 53592 55007 94993 64230 42398 44790 64256 73144 43515 45325 54372 54419 50272 53990 Imidazolepropionic acid 1058 415 519 458 636 411 665 708 989 789 727 626 375 974 603 727 394 898 505 848 371 523 810 564 6569 6516 6649 6350 6497 6866 6503 6563 6108 6511 6618 6649 6485 6546 6215 6918 7234 6780 6702 6458 6155 7012 6666 7005 92152 98751 97275 92157 98650 99973 100360 94627 95656 96332 99940 88187 92560 100899 98594 93422 97195 95827 94450 99695 100208 105317 102058 102423 62838 63554 63087 64802 65433 62566 62805 64261 63976 64289 63742 64982 71826 70156 69738 71568 69642 69500 68283 66142 67054 67744 65977 66898 1773 1338 1114 1487 1401 1245 1235 1436 1089 1145 769 1425 1200 1158 1007 833 681 998 1158 1309 928 928 951 1307 386 63 422 207 598 270 489 209 176 326 362 231 195 630 164 363 163 234 73 210 319 113 329 6488 6341 6482 6762 5769 6343 6289 6433 5966 6238 6719 6359 5972 6349 5652 5988 6305 6062 6009 5597 6288 6203 6908 6569 Methylimidazoleacetic acid 1028 1104 1309 1346 1184 1399 1369 1097 1043 1318 1197 955 929 1185 1204 1198 1306 1074 1057 1070 1113 1168 1177 1121 1769 1628 1713 1807 1609 1894 1783 1856 1694 1804 1672 1644 1622 1601 1459 2609 1579 1747 1715 1818 1698 1838 1553 1469 7222 7462 7036 7291 7251 7401 7251 7423 7201 7842 7866 7226 7252 7485 7416 8130 7504 7488 7229 7596 7402 7450 7561 7328 5506 5502 5551 5323 5127 5132 4903 4935 4811 5078 5231 4829 5280 5405 5585 5784 5876 5819 5817 5835 5912 5466 5866 5916 607 110 43 32 65 36 39 48 94 96 63 39 84 95 257 282 150 91 96 102 58 281 43 55 68 32 28 77 99 32 54 70 62 65 1707 1915 1541 2039 1873 2001 1712 1988 1670 1656 1692 1872 1870 1446 1834 1699 1809 1950 1658 2168 1732 1950 1931 1733 Indoleacetic acid 253 119 109 175 191 111 49 145 46 14 71 53 257 131 261 192 139 213 207 113 212 200 154 323 960 1041 144 343 1378 362 1251 192 934 950 274 64 114 19 117 118 83 86 48 85 121 115 108 3456 3510 2876 3098 3295 2883 3388 2969 2761 3225 3835 3296 3295 3522 3644 3564 3030 3791 3839 4050 3825 4221 3798 3662 3341 4171 3707 3998 3646 3496 3566 4362 3832 3806 4604 3365 4769 4333 4030 4568 4500 5064 4570 4979 5383 4651 4006 4749 25 84 55 101 51 47 57 14 117 21 44 11 32 54 11 50 64 12 44 12 73 10 1105 1010 435 398 387 468 458 1202 1309 311 1022 1106 195 255 337 316 257 269 274 236 207 158 391 165 1193 928 341 1326 233 665 278 1293 1398 91 433 207 52 103 75 144 98 102 70 17 49 48 62 125 Indole 656 845 6995 1158 7930 1115 12508 997 12991 8181 12108 1097 13 8 14 24 6 17 7 5 4 14 22 35 21 7 5 11 16 24 4 6 7 20 6 6 5 5 5 13 984 1214 8856 1052 1373 3693 5414 8116 4201 1720 8382 713 42 11 16 35 74 41 64 25 27 63 17 72 45 57 66 31 42 43 35 70 56 65 73 74 87 62 78 70 96 73 67 84 55 64 61 1437 8473 2003 10389 10179 823 9765 1815 9304 9941 548 943 7 12 5 22 8 6 5 17 16 23 5 5 5 5 29 12 15 6 8 8 13 7 13 11 7 22 9 39 18 5 8 5 51 26 39 5-Hydroxytryptophol 7610 6343 5942 7130 6373 8186 6007 6375 5904 6466 5279 7262 7909 7816 7097 9074 7913 7360 8512 8085 8014 7583 8367 8138 2163 2182 2139 2500 2390 2955 2782 2541 2022 2180 2147 2161 2610 2585 1432 3338 2590 2307 2158 2081 2206 2505 2307 1938 7710 6968 6160 7024 6749 6172 7027 6031 6069 7184 7587 6672 6700 6678 7508 6981 5973 7196 6506 6854 7070 6935 7580 7039 7510 7944 7988 8241 6972 7797 8122 8050 8607 9154 7970 6708 9066 8686 8877 9840 9310 9392 9021 10285 10322 9881 9250 9485 3482 3409 2949 2192 3118 3323 1951 3218 2298 2503 3337 3144 3300 2770 3096 3036 3437 3090 2849 2996 2518 2254 3053 2810 4978 4695 4065 4025 4585 3944 4506 5163 5053 3754 4226 5337 4925 5389 5451 4883 5158 5405 4776 4803 5073 5104 5045 5174 1244 1061 1395 1601 1203 1225 1605 1413 407 1153 1296 1043 3501 1217 1335 1184 992 1383 1450 1583 1978 1721 1665 1988 Tryptamine 22135 21881 21657 21347 22203 22454 20243 22862 21943 21358 21651 22702 23352 22772 22792 23505 23025 22437 23907 22964 24354 23769 24085 24253 8606 8041 7762 8109 8175 8736 8413 8328 7527 7553 7062 8056 7855 8415 7593 8474 7706 8177 7493 7661 8281 8284 8119 8040 5504 5495 5345 5787 5679 5053 5428 4898 5311 5851 5628 5280 5535 5864 5059 5382 5113 5216 5246 5857 5713 5737 5635 5499 16502 15390 15461 15872 15315 15639 15091 15002 15939 16489 16960 16114 18241 18123 17954 17892 17140 17665 17894 18366 18159 18253 17198 18024 954 1171 1686 569 995 898 1142 943 772 1235 951 685 1117 1054 1246 850 671 743 987 1068 865 1322 1104 1187 2289 2009 2169 1961 1960 2281 2409 1978 2252 2245 1643 2321 2414 1735 2216 2039 1804 2081 2027 1426 1782 1894 1617 1786 6771 5776 6221 6591 5930 5858 6115 5938 5905 5673 6007 5701 5993 6300 5915 5649 5652 5578 5762 5671 6830 5934 6252 6639 1H-Indole-3-acetamide 3285 1826 2378 2886 2324 3201 2774 2979 1718 2466 1912 3694 3606 3111 2918 3639 3188 2534 2936 3390 2455 2812 2896 2599 162 376 409 405 136 623 240 251 98 71 353 160 574 271 291 553 428 237 343 215 228 432 382 350 1494 1402 1295 1096 1679 1208 1315 1019 1460 1390 794 1526 1673 1480 1756 1660 1467 1871 1433 1748 1683 1842 1783 1570 1305 1444 1676 1405 1257 1498 1536 1366 1394 1560 1372 1339 1754 1422 1361 1636 1722 1512 1677 1785 1789 1389 1454 1571 537 642 513 524 398 563 620 554 438 387 649 413 559 415 508 536 541 563 678 455 404 483 487 325 895 657 790 591 696 703 812 748 733 549 791 783 992 994 955 960 1039 1159 907 949 826 878 940 930 282 200 329 182 193 245 434 238 181 380 96 510 148 337 308 153 365 405 302 258 438 366 Acisoga 1845 1577 1469 1844 1756 1808 1805 1889 2140 1693 1678 1428 1976 1794 1679 2009 1623 1956 1863 1740 2131 1741 2042 1820 2345 2021 2193 2126 2040 2249 2035 1963 2019 2098 1969 2146 1932 1931 2191 2183 2023 2168 2242 1922 2119 1950 1805 1973 14287 13785 14127 13602 13678 13592 14036 13869 13464 13982 15265 13693 14038 15023 14308 13834 12681 13924 14064 14899 14251 15443 15128 14648 9505 9899 9482 9066 9205 9162 9212 9830 9664 9738 10013 8984 10594 10431 10098 10487 10360 10707 10419 10477 10512 11078 10252 10339 398 739 829 804 751 357 626 467 856 489 383 693 612 645 654 722 852 448 394 585 320 254 537 402 747 551 530 475 351 633 178 516 542 519 580 528 385 384 469 608 292 170 420 224 179 233 189 276 2323 2085 2219 2027 2487 2486 2460 2504 2280 2183 1957 2279 2444 2420 2364 2517 2663 2742 2377 2230 2445 3754 2457 2329 Protoporphyrin 725 825 9936 4316 10902 3383 1650 1079 2090 9957 1240 2199 945 219 1 1617 341 210 5 102 107 5 1 82 1 82 7 8 3417 4 5 78 1476 3454 335 1737 3564 2178 2760 1373 3906 8079 295 1097 1 2 4927 1 6 718 1 668 4 1 3 222 1 238 9 3 20 2 96 1 4 2816 2219 2475 15919 2275 3777 17106 3217 15313 5406 2225 2100 3 2 6 3 2 4 2 3 3 83 3 3 3855 1 2 1 2 4 1180 10 5 4 4 5 4 2 4 12 3 3598 96 3 1025 10 4 3 204 3 366 84 2 11 11 Pterin 91242 89586 64374 82243 64480 84493 27471 84295 29417 63618 21709 90521 92785 89416 95568 88017 92612 88905 93520 88475 93496 91605 91748 94382 24866 25775 24653 23202 22268 27895 23859 28796 15256 24435 26993 25925 26594 24906 22675 31325 25428 27198 23228 25907 26886 26697 27467 24331 29642 29818 8059 30490 29239 12878 17824 1006 9393 27743 953 29130 29595 30397 31322 30898 31829 30346 30899 32746 31613 31996 33352 32140 44771 47200 47507 50710 45897 47310 43718 48714 43981 46168 49973 47822 52437 48821 51325 51450 47675 51050 49048 53212 53473 48682 48365 52293 61653 59124 62898 12047 58441 66454 11615 63684 12152 59687 72184 70182 71194 66928 68366 63188 67511 64857 61138 62435 66054 58727 67016 66662 28452 30474 23765 26081 32607 30267 29499 35655 34030 28861 35717 29163 34485 35311 35697 34106 37298 36897 35841 37021 35777 36875 35739 37349 19505 16357 13148 14351 13102 20409 18924 19343 15401 12397 14325 18835 16428 14592 16660 12762 18997 19701 13049 15099 15387 15121 13663 13415 N1-Methyl-2-pyridone-5-carboxamide 3075 2637 26899 3152 24302 3267 92104 3091 66597 25338 87865 3143 2938 3169 3031 2266 2973 2639 2806 3167 3121 2922 3231 3074 2227 2394 2284 2169 2320 2272 2516 1974 2336 2386 2331 1974 2322 2136 2352 2102 2414 2304 2220 1997 2189 2204 2283 2353 6429 6760 155271 6449 6963 29481 38509 143632 35457 7633 115326 6569 6263 5481 5810 5694 6382 6534 6632 6190 6402 6934 6575 6027 7134 7426 6764 6735 7079 7175 6607 7241 6695 6832 6755 7297 7591 7419 7419 7253 8657 6825 6575 8254 7149 7477 7715 8257 3872 28967 3929 84227 30240 3326 86462 3569 78015 30778 3252 3670 2523 2969 2511 2871 2972 2770 2842 2694 2624 2916 2568 2451 3421 4634 2607 2493 2506 2955 2717 3194 2883 2490 2753 2295 2559 2501 2561 3001 2825 2697 2730 2604 2759 2778 2872 2785 2001 2071 1974 1652 1813 2000 1825 2329 1931 1681 1821 2135 1556 1734 1789 1540 1611 1739 1590 2002 1709 2081 1830 1638 Niacinamide 400804 407443 374475 388762 380828 394563 364214 396030 394186 372246 372793 409474 399616 362804 407812 365079 402869 410105 428625 406719 374877 433101 438274 420187 1713 1216 1518 90117 1126 356 304 849 83276 420 926 94511 138775 140543 132627 189663 139762 143527 139728 134907 139479 134012 136790 139349 315596 316014 302275 312609 307150 296805 305173 303011 306338 315413 328929 309147 330383 338784 333747 333564 329963 323126 320470 337716 330644 339263 335686 336075 332811 1384 324922 831 331266 1095 3848 766 761 1413 751 737 417911 426957 430305 426316 423734 429216 427090 433000 462538 447419 421482 449206 998951 988634 1014195 958056 926504 957086 962622 947945 919653 937742 1008955 1018364 1000366 991569 989122 979711 1005251 935247 952168 931632 951511 929486 985081 975804 1320 1025 411971 1071 436008 1252 2535 808 571 417442 905 1487 829228 796376 798784 806785 820605 816639 813936 806871 797398 825067 816035 836419 1267 1618 599 316 58478 237 73350 628 138 963 117 70185 116432 124299 119258 117159 119962 119253 116187 118915 125653 121035 120766 128136 Nicotinic acid 159976 165862 135469 158314 137959 161648 124073 164082 133643 131272 124945 163666 169939 194077 179403 200418 165205 166891 180759 181073 201797 176230 180340 177582 152629 140302 141200 108163 150984 142527 156076 142557 110731 136341 133863 106511 81190 81877 81122 111460 82427 83522 83514 82760 81308 79460 80875 82914 151626 148912 128008 150081 145961 132331 135049 124018 130227 149456 138749 148370 157140 159982 161400 154298 157795 153805 153545 162829 158146 162719 161640 162826 150336 338139 151297 333267 148621 349096 342905 342405 332133 359858 357672 326183 132901 136734 138558 136518 137819 141161 134558 140671 149294 147345 136229 140828 177001 120572 180587 82594 116859 179932 82017 170460 79206 117549 189780 192088 199183 194017 193391 195568 196390 174934 178529 184309 177537 183665 189124 179761 422727 435007 187997 430943 200131 424631 435955 453417 433984 202088 426537 452729 196515 192293 194768 188205 199249 193004 194443 190638 190639 197540 192229 199340 131383 129719 130721 134665 102820 130705 99879 129667 125219 128482 129793 97029 67358 69492 66799 70011 70217 68838 66257 69026 70338 66015 70266 71307 Trigonelline 109223 110961 117055 108712 114160 107616 118329 109861 117860 111338 114834 106412 109517 109319 110065 109474 109786 110359 112319 112339 110574 111778 115049 110582 20333 20243 20967 20300 20643 22199 20870 21516 19872 20730 20957 19736 20704 19523 20214 11362 19330 19586 19911 19539 20146 19242 20012 19927 46252 46136 47643 46562 47137 46681 47439 47076 48287 47993 48276 46826 48064 47526 47521 47839 46478 48375 46499 48131 47486 47273 47809 47432 67679 69126 67719 66190 67225 66076 65373 67465 64338 67664 67118 62926 73943 73125 76121 74259 75804 74850 75072 72974 74267 74781 76402 74016 81805 87709 80928 89629 85338 82845 89453 83114 89651 87583 81450 135552 81669 80641 81757 85157 82238 80157 83497 80690 83526 81077 81645 81254 66661 67966 69691 68771 69712 65881 68382 66241 66984 69875 66202 67815 80298 81953 81161 79306 80361 81383 82992 77458 79475 78353 79174 77697 22618 21762 21501 22353 21570 22140 21139 21171 21222 21556 21189 21154 21039 21182 21594 20128 21671 21152 20638 20817 22135 21238 21953 20902 Pyroglutamic acid 15534555 15648433 558908 15691936 771452 15743947 690027 16041613 776838 640031 658798 16084215 16903865 15946131 16662956 17564538 16436133 17121285 17157657 16872823 16700906 16628023 17341754 17491436 7050926 7107985 6650052 7028533 6739839 6371834 7140382 6456054 7025040 6498133 6601193 7279385 6756077 7019933 6628994 8968248 6588784 6894947 6845732 6658740 6736919 6673307 6317750 6613945 11592748 11520852 1471896 11901247 10835439 6523923 5149143 2520697 5972676 11653059 4157353 11961819 12351336 12684846 12395677 12874047 12532040 12044044 12272516 13030030 12362993 12298273 12504679 12447901 14479872 15037830 14616901 14014292 14932251 14719492 14322282 13616350 13102618 15314443 15023427 14013180 16385939 15841689 16720161 16420372 16063611 16098820 15746866 16052926 17239991 17557794 16863188 15895570 14048653 2535709 14880436 831257 2111220 14544555 727083 13916095 853405 2974257 14691180 14486215 15334402 14014200 14659395 14707382 15300566 14208807 14749364 13612918 13622452 13936331 14391709 14638840 14062386 14941101 14584044 15023102 15402631 14728868 15470775 15803565 15550412 16087396 15025184 17376863 17808810 18067659 17040242 16834378 17708897 17512048 18116371 17135183 17293026 17094116 17189066 16918413 6502545 6610574 7086971 6928251 7012597 6505221 7118978 7064999 6681548 6941668 6818378 6734692 7264085 6922812 6698231 6838124 6959333 6817336 6702871 7160242 7086563 6831629 7215388 7227819 Kynurenic acid 16078 14899 13428 15624 13391 16450 17447 16831 17724 13203 18371 17253 16718 18126 17734 17916 17105 17650 17988 17752 16892 18061 17949 15429 8381 12514 12384 7676 8041 14315 7206 13107 5270 11204 12140 8055 6126 7407 6088 12470 6200 6769 6125 7202 6822 6873 7415 7203 155569 158933 167691 161028 155226 145502 157234 163551 155806 150617 178471 160178 167624 160600 175438 162419 172459 171970 171742 178523 176747 161798 173250 178996 98982 114439 100464 125746 92277 107350 103069 115383 106098 100772 137291 122346 119216 116976 106615 113969 113757 105783 113672 116435 113746 113255 115183 121264 9639 10066 10572 11410 10328 11130 12190 10350 10007 10382 11207 12055 12202 10606 11191 10906 11512 11167 10849 10220 11412 9882 12386 11955 9658 7882 6164 6924 10462 8671 8283 12712 10416 7309 10742 8177 9387 8820 9084 9016 9187 7949 8362 8472 8793 7010 6936 7947 11230 9046 7880 9254 7572 12041 8820 8609 9946 7655 8848 7798 7825 8418 9400 7912 9613 10083 8777 8697 7734 6709 8289 7363 5-(2-Hydroxyethyl)-4-methylthiazole 64002 63812 60892 62808 59478 61342 55536 62258 57048 58600 57243 63656 64208 66006 65261 67308 63981 64158 65756 64380 66824 67319 68030 65768 1536 7299 1567 2061 6567 6644 10208 10729 10327 10348 10413 10274 9994 10504 10228 10639 10161 10216 83964 93577 89686 84168 87850 88961 87871 91223 89071 88158 95860 87653 102495 105110 104144 97068 97034 91221 88944 99048 89747 90626 91785 92106 160086 82215 159967 74441 158986 139997 139169 79915 92139 151266 79589 83944 190843 187657 192099 193422 190886 192700 187519 192670 200750 196957 191063 190904 79758 77207 80184 73406 75138 78169 71763 80418 68650 77084 81947 81380 84508 81069 84412 84099 87483 80372 81656 83033 79352 78288 82142 87304 60334 61989 153761 121231 167196 115057 119890 64768 68071 160024 66807 77132 207355 202143 205029 206864 202488 205891 206687 203377 201753 202661 200198 199301 138 341 986 5965 14 6122 18 17 1352 1389 5982 7965 8291 8547 8188 7903 8095 8086 8101 8152 8185 8593 8414 Serotonin 9983 10176 11343 10084 9989 10867 11370 10588 11514 10643 11620 10909 10470 11695 11136 10621 10151 10925 10796 11545 11000 10273 10381 10049 6749 6133 5443 6877 6408 6389 7049 6576 6330 5859 5954 6407 7054 7619 6973 10150 7182 7394 7608 7509 6980 6541 6688 6804 4350 5107 3904 4430 5014 3914 4200 3822 4422 4919 3941 4405 4928 4620 4334 4041 4545 4574 4147 4634 4663 4654 4743 5171 6394 6731 6479 6531 5801 7097 6906 6596 6751 6796 7879 6901 6878 7166 7498 6815 7029 6665 6804 6650 6968 7412 6911 6968 4176 4251 4186 4246 4039 3756 4177 4189 3886 4621 4694 4182 4067 4647 4441 4627 5460 3843 4092 4930 3852 4198 3734 5137 2666 2636 2197 2641 2188 2535 2318 2936 3275 2445 2750 3311 2391 1906 2041 1783 2399 2680 2051 2160 1817 2426 1738 2546 3969 4061 4043 4007 4067 3939 4164 3992 3765 3958 3741 3927 4130 4157 3902 3820 4147 4366 4000 3875 4132 3791 3448 3774 Allantoin 831706 949797 856356 841742 925890 847318 896650 920562 966221 916188 917685 914993 952543 912703 935976 1061958 956643 911143 1019078 958424 942309 940747 974992 939351 27607 42012 47046 60129 33291 19029 63537 37071 12061 24373 13052 47311 59207 56018 67993 107396 82239 63196 98085 55221 70361 51859 52479 80142 828830 910597 962566 831968 842335 894345 968741 1030974 907605 870069 959892 870525 856056 857102 933287 940078 917020 924220 840750 945745 907501 890381 807385 820074 86895 125800 121780 53186 110467 116155 122719 78233 118579 106968 107240 101336 202648 162074 163309 179470 188893 144150 209227 239867 193770 172994 191887 181295 1242629 1139768 1187810 1034308 1192461 1115170 1043494 1077110 999490 1031010 1123331 1080992 1040531 1122836 1207782 1101532 1103464 1122541 1147394 1051087 1088507 992586 1128737 1163488 137464 129404 164167 89058 99058 115183 103029 81051 106925 70227 69980 130489 131486 154812 161009 161081 153863 170733 142316 178048 170667 112767 134401 149888 5069 5892 3120 3363 6131 5672 6533 trans-m-Coumaric acid 2446 2620 14457 2441 12517 2610 50393 2508 50697 10510 51920 2506 1965 2237 2462 1764 2096 1693 2174 2141 1904 1598 1967 1833 685 394 660 220 432 535 491 941 277 496 397 271 231 234 277 345 294 399 195 227 181 230 291 133 997 930 6683 1271 983 1624 2334 4972 1561 1027 4965 890 897 998 460 1058 1086 901 1146 938 1055 1047 756 744 1567 1853 1612 1878 1387 1479 1546 2106 1869 1972 1584 1712 1683 1683 1661 1892 1872 2271 2156 1585 1808 2080 2234 1989 517 6884 790 9937 7482 306 9473 577 7363 5806 523 687 246 258 91 306 177 174 114 249 167 126 193 210 182 236 229 325 198 358 235 350 292 248 457 452 146 70 100 56 25 66 172 55 63 23 24 133 261 186 160 185 111 201 216 232 188 118 246 121 32 193 202 160 190 206 139 187 261 217 225 256 Phytosphingosine 104 805 535 32 70 75 196 400 402 474 437 199 593 3080 980 542 622 459 628 187 32 127 38 190 80 33 70 267 131 159 106 239 322 249 91 923 213 329 354 157 116 49 99 172 160 77 127 59 121 181 104 74 84 69 70 251 118 45 84 247 94 93 434 78 87 142 150 53 193 149 349 435 263 284 258 221 386 248 1123 928 142 185 143 240 330 340 328 171 131 149 610 293 972 324 134 150 103 162 208 182 165 218 143 44 140 122 137 341 132 2150 66 936 323 198 228 Sphinganine 542 708 175 265 261 124 51 194 41 195 57 194 195 104 203 172 371 107 64 221 112 289 422 379 764 467 188 671 398 439 230 490 571 477 642 680 260 100 557 193 280 1154 263 403 222 198 234 150 3159 62 356 198 307 62 228 98 178 177 125 91 105 153 224 120 144 211 854 91 433 61 142 117 957 102 247 135 62 80 192 132 349 73 199 92 188 247 91 209 203 156 124 173 164 120 223 73 112 1753 108 150 96 137 271 227 301 401 523 571 412 462 422 455 493 425 414 349 387 306 333 314 273 543 291 912 209 1203 784 410 1081 C20 Sphinganine 6048 3889 234 2636 2911 4669 2844 2934 1655 3975 1671 2146 1349 5707 1569 1546 4441 4153 3634 5712 5574 5520 5049 4055 16214 6838 3103 2919 3789 2234 2326 2494 13778 7545 4083 3506 2207 3468 4385 2974 975 5957 2169 2429 2934 2491 1990 759 3477 6013 3981 18092 1256 1856 15741 6263 3906 5360 1596 2025 1474 3207 2406 1254 2643 1269 1062 3083 2582 3302 1202 3391 1610 402 2421 4959 5400 1273 88 1212 3319 2246 4251 22141 899 7614 1277 1147 1060 751 298 1191 2267 526 130 56 5114 581 6240 7516 2685 350 5788 2599 1823 12059 3604 4128 2756 1708 625 1430 3983 632 2792 3179 7741 2231 618 18767 1011 5966 1289 2205 1744 2440 2526 3083 961 1259 1748 1936 1893 3418 2051 1123 595 1015 1298 1496 1852 581 947 944 839 1180 214 126 25 47 139 57 541 459 798 1444 564 449 68 2417 983 996 3855 7577 487 1341 1126 180 Glycodeoxycholic acid/Glycochenodeoxycholic acid 2111 2983 1039 1728 1934 1652 1130 1815 1694 2603 2218 2453 1862 1807 2795 2044 2377 2143 2296 2242 2182 2246 3228 2763 37506 34575 32717 46481 36001 32971 36216 34505 42931 32390 33231 45620 46868 46093 48025 70035 48774 49823 50472 46140 50277 47840 49578 48830 187 155 187 285 306 108 121 399 271 322 596 143 382 279 334 169 298 115 429 302 3789 3038 3531 3939 3673 3735 3732 3253 2675 3218 3156 3038 187 194 127 151 151 587 139 178 7771 8994 9664 8611 9693 8096 9711 7172 9802 9247 7392 8915 8632 8486 8849 7476 8734 7350 9104 8222 8023 7155 8193 8142 10815 9873 9594 9405 11656 12343 11729 11389 13568 13591 14655 10760 4896 4584 4606 3371 4309 4313 4237 3783 4792 3768 5515 3818 36567 35967 38581 36332 48455 35421 52407 37430 34225 36182 37964 49082 49391 52860 52215 53443 49149 54075 47147 48517 45226 44398 43551 44499 Glycocholic acid 1666 1053 1604 1213 2105 1187 1251 1557 1698 2472 1583 1386 908 765 1164 1008 953 973 1179 1087 1020 1599 1090 1207 114 279 392 305 655 321 83 198 331 191 389 313 635 20881 23301 21731 20551 20225 21531 22354 22696 22545 20714 25140 20927 20332 21656 22504 20728 21387 20719 20868 23578 21545 21099 22945 24384 93542 91068 84887 15919 41428 107 46338 122227 115730 120438 120004 119373 123513 118582 129048 126468 126831 122824 126818 68 70 479 254 343 239 297 275 158 276 232 347 78 96 100 465 178 107 466 306 456 179 181 161 510 209 3-Hydroxynorvaline 7823 8344 8881 8334 9270 8609 9516 8800 10012 9883 9608 9058 9153 9218 9144 9117 8384 9383 9165 8922 8484 8601 8864 8981 1805 1711 1942 1557 1631 1761 1456 1944 1439 1626 1855 1956 1418 1475 1358 2170 1539 1496 1606 1630 1433 1710 1569 1816 8343 7744 8729 8007 8166 8655 9063 9185 8360 8093 9122 7969 8352 8722 8687 8667 8879 8565 7979 8766 8465 8209 8737 8859 4972 5166 5034 5065 5068 5026 5712 5134 5173 4949 5761 5496 5547 5904 5885 5952 6346 5669 5752 6160 6211 5946 5600 6156 2928 2981 2812 2730 2914 2895 2942 2967 2701 2681 2817 3045 2595 2955 2553 2531 2707 2875 2414 2765 2460 2472 2673 2078 3037 3123 2049 2404 2622 2767 2977 3206 2982 3187 3488 2482 2942 2390 1529 3555 2916 3890 2811 4189 3427 4081 3725 3808 1608 1807 2031 1612 1732 1815 1864 1777 2032 2087 1873 2001 2139 2083 1924 2060 2016 2394 1749 2055 2841 2226 2256 2915 N-Formyl-2-aminophenol 1575 4071 10750 10067 2747 1686 3179 761 1019 1643 5548 2305 2401 3317 1741 1553 947 2073 1286 2994 1382 1498 1832 2721 889 1733 2873 535 958 1021 1300 1576 422 439 623 3105 646 1362 3896 1927 500 744 565 492 3071 1007 754 608 4562 4283 3668 4398 5143 4124 5051 4561 4107 3949 4878 3363 4119 3638 4203 4122 4582 4788 4699 5593 4499 4981 4560 4302 4110 3383 3130 4693 3250 3216 3802 2979 4881 3998 4535 3341 3413 3762 3247 3694 4304 4237 3629 4288 6096 4707 3354 3631 81508 97708 99453 84994 85677 80280 89472 84638 79993 80325 97020 88796 101273 93162 92879 91682 104949 97615 95121 88446 100844 86241 85831 93050 70462 78910 71644 69193 72215 71735 75382 59296 81035 83449 71650 80207 68880 97806 93810 82561 90774 98705 89222 89229 88588 95316 82092 99125 1227 1004 1288 816 654 128 673 1358 97 611 1019 675 294 596 2145 733 978 669 1186 1027 1501 1554 1754 1597 N-methyl pipecolic acid 2333 2476 2465 2243 2213 1985 2501 2200 2223 2268 2628 2122 2185 2566 2429 2343 2378 2027 2290 2565 2595 2496 2466 2680 1659 1766 1687 1793 1813 1548 1797 1579 1694 1748 1869 1875 1723 1766 2003 1716 1819 1915 1967 1624 1717 1615 1683 1734 2429 2744 2976 2436 2715 2628 2925 2860 2964 2371 2866 2799 2864 3141 2834 3016 2975 2610 2631 3032 2533 2889 2841 3076 8789 8319 8656 7818 8537 8495 8741 8473 7920 8929 8653 7520 9843 9878 9491 9629 9588 9542 9131 9597 9723 9491 9671 9255 1194 1253 1540 1200 1167 1227 1331 1294 1433 1353 1214 1407 1395 1238 1131 1126 1395 1270 1304 1323 1105 1262 1284 1414 1090 1327 1289 1329 1400 1418 1417 1356 1243 1476 1245 1374 1275 1416 1438 1253 1359 1453 1493 1499 1548 1496 1366 1366 1705 1753 1850 1562 1510 1691 1715 1821 1771 1556 1695 1952 1577 1830 1807 1758 1584 1690 1579 1744 1821 1764 1616 1816 Indole-4-carboxaldehyde 15003 7523 5624 8316 5313 10710 4291 7447 6447 7719 5285 9360 11240 7264 9353 13187 10070 4756 12380 7734 4595 4685 9171 9466 1740 3270 2479 3350 6277 6239 5126 5332 1957 2501 3128 4857 7289 5570 2904 3962 7286 5783 5357 4868 3780 5554 6366 3314 3297 3053 2348 1614 3350 1698 2527 1466 2265 2062 2982 3473 3850 3595 4223 3803 3093 4349 4031 3919 3415 4355 4492 4231 3771 2979 3872 2336 3435 3683 4356 3683 3440 4464 3040 1913 4774 3435 4440 5111 5003 5000 5272 5559 4407 4999 4743 4853 752 572 300 420 473 604 410 820 911 413 940 914 620 705 1011 1109 861 1007 440 366 265 430 971 168 1024 865 1001 993 1019 950 1076 913 1308 1119 793 1282 899 725 1046 1557 1530 1889 1492 1723 1762 1842 1668 1821 2496 2636 2820 2902 3145 530 3891 3364 1949 1834 3493 2249 1862 2884 2705 2236 2590 1836 3639 3033 3260 3920 4274 5607 Tridecylamine 3721 5933 4809 6803 6560 3971 4484 8559 5102 2936 3206 4381 4957 4731 9001 4887 4813 6677 126104 4624 4622 4414 18694 11838 20233 10376 6552 17539 12372 8262 6495 5194 7699 4948 29932 13248 15123 7610 17318 8944 4080 16020 8612 5340 14587 4415 5815 10358 22570 22466 10017 31453 18804 9390 10619 6224 7864 33685 5615 11574 13310 12215 5677 8431 18225 9451 8852 16024 24415 17131 11062 15858 8334 5417 6749 9600 5553 2341 12232 3674 18633 4626 15117 16279 4097 16782 6606 3084 2409 2739 10198 7678 4857 3318 2092 4697 5657 5377 5166 4825 6720 7988 6119 8384 6204 11222 5267 5615 4337 8112 3382 4783 4885 4153 2709 3740 5559 7024 7378 4609 2022 3643 5886 3524 794 4524 7905 3526 3964 4606 3189 4704 5874 5415 2912 6537 2872 2952 4396 5088 2688 10074 7236 5299 13954 6215 10710 5644 10366 6347 11249 7824 15918 14661 5894 8605 16060 17805 11518 10464 14202 27809 4886 7060 7387 6971 2821 3784 N-Acetylisoputreanine 2338249 2142581 1774830 2580693 1792632 2609936 1608507 2367136 1836600 1778036 1733877 2487360 2594120 2625765 2549486 2637738 2715104 2447062 2550565 2490681 2540281 2638087 2643290 2503062 1503212 1287880 1245092 1498965 1496036 1166349 1593987 1099734 1472777 1140949 1328170 1441624 1483755 1657586 1465556 1776167 1581475 1677646 1563027 1534571 1605735 1633132 1519173 1595392 5456719 5517784 4166769 5198262 5246495 4507734 4413380 4112189 4579571 5374830 4467683 5099191 5396309 5535972 5351898 5307371 5377716 5417194 5404352 5522574 5602736 5540583 5755690 5795365 4136094 4171051 4500379 4099320 4257096 4361606 4281101 4009071 4134226 4311308 4233115 4132798 4997667 4925388 4962379 4886432 4679599 4941711 4960472 4890217 5069114 4978914 4889441 5077859 2421038 564364 2515905 571330 496031 732169 544695 2539882 583458 580258 745142 749951 863117 787628 752192 846076 751639 802406 799652 712120 741369 799906 768627 727415 827808 927942 746368 821441 959947 791941 915978 922990 918127 920737 897315 608428 854504 748193 587561 880308 898853 890468 786299 933912 917915 936636 869811 796622 1115854 1304634 1284299 1173644 1386478 1154515 1389418 1246864 1199975 1353828 1382015 1322386 1382988 1387197 1400032 1371681 1392191 1342100 1385204 1448658 1065423 1434452 1373364 1445484 N,N-Dimethylhexadecylamine 2549 3066 733 3310 8642 3420 4073 3307 3631 17497 5241 2339 4094 1495 2990 961 4954 7264 8763 4165 3505 2401 6255 6451 4644 8566 7690 2606 9321 1504 1465 3122 2796 3173 8250 3524 1443 4503 14963 2716 1057 5074 2613 7035 2779 2593 3375 1618 11735 4656 3565 4488 3989 3035 2579 4228 3155 4200 1993 23272 2447 989 1755 2036 6787 1812 1431 1295 22636 5298 1311 2626 45568 1673 3575 63393 4715 2408 2023 1949 17707 9396 5082 17599 2514 7270 1693 2304 1637 11395 1673 11775 5106 3147 5056 5762 6676 16160 7685 4908 9140 273218 35374 9769 1647 6214 8604 1996 20213 41482 3462 6119 12113 2039 7893 6320 15757 6524 8923 22186 5878 12993 2681 4819 5078 8130 6184 9569 4443 5445 3866 5151 1977 2698 1158 6882 518 640 11935 413 721 1212 1674 1948 2590 2412 19434 3159 3218 2776 3023 1337 1854 75156 2435 8153 2184 2183 906 1708 2465 4389 1101 1414 2191 17671 3513 9550 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