#METABOLOMICS WORKBENCH jravilap_20250508_101335 DATATRACK_ID:5897 STUDY_ID:ST003911 ANALYSIS_ID:AN006423 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           	Reversed phase
CH:INSTRUMENT_NAME               	Shimadzu Nexera X2
CH:COLUMN_NAME                   	Waters ACQUITY UPLC BEH C18 (150 x 1.7mm,2.1um)
CH:SOLVENT_A                     	100% Water; 0.01% Formic acid
CH:SOLVENT_B                     	100% Acetonitrile; 0.01% Acetic acid
CH:FLOW_GRADIENT                 	The column was eluted isocratically at a flow rate of 450 µL/min with 20%
CH:FLOW_GRADIENT                 	mobile phase A for 3 minutes followed by a linear gradient to 100% mobile phase
CH:FLOW_GRADIENT                 	B over 12 minutes.
CH:FLOW_RATE                     	450 µL/min
CH:COLUMN_TEMPERATURE            	45°C
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
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_AN006423_Results.txt	UNITS:Abudances	Has m/z:Yes	Has RT:Yes	RT units:Minutes
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Abundances
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
15R-15-methyl PGA2 [iSTD]	8444268	8573728	8228630	8650200	8245752	8588629	7964815	8793434	7870451	8861752	8413654	8399486	8453071	8492371	8449129	8599865	8176021	8766065	8719623	8530251	8669552	8615445	8510118	8176171	7723380	7451581	7257678	7752649	7721813	7170404	8205120	7821732	7557810	7276004	7420620	7653982	7303784	7400932	7484950	7571055	7766603	7596501	7545164	7831201	7931831	8209600	7732082	7720729	7706594	7656281	8315221	7642935	8256418	8376304	8503029	8035533	8623601	7897388	8144347	7726312	7659094	7646624	7856525	7518241	7483241	7487542	12283215	4495512	7363711	7673600	7895509	7682789	6119658	4457012	6092105	4422557	6281183	6202874	6586458	5495127	4726185	6159852	5190664	5106117	6259297	7602505	6144992	6294063	7447873	8017914	8161820	7478393	7619564	7964649	8088048	7616055	6842630	7760066	7263473	6982643	7523384	6651568	6975389	7507199	7289494	7798384	6746284	7443435	7502373	7018150	7411209	7230587	7290717	7075451	7566084	7135424	7115610	7365918	7674314	7726659	7138660	7053182	7791759	7329822	7490851	7307571	7789389	6691708	6951388	7407682	7012724	7066293	8052845	8241411	8201496	8506389	8701653	7379350	8689570	8401009	7843237	7944141	7952501	8002824	7020783	6698047	7189890	7327097	7172512	6379819	7117085	7054556	6565984	6810071	7261119	6857942	7580365	6534337	7559458	6886913	7121284	7321569	7117667	7514100	7847645	7587834	7450823	7722381
15S-15-methyl PGE2 [iSTD]	6260818	6454551	6354155	6429086	6379286	6347790	6469290	6515549	6522351	6622341	6622645	6334871	6317963	6518492	6337604	6373212	6356703	6280769	6491494	6220026	6679164	6119636	6154573	6269191	6200038	6337372	6063284	6041971	5976437	5920676	6188781	6285629	5789372	5966081	6068850	6187832	5610581	5801127	5771373	5656301	5964209	5767417	5949833	6121260	5761029	6287879	6034515	6470059	6336651	6115288	6530858	6289423	6119070	6457805	6359260	6402498	6318261	5964442	6261083	6190125	6093111	6053234	6046765	6151617	6136184	5950099	9335340	4741812	6013658	6247199	6193699	5960151	6076754	5989615	6208708	5899484	5909307	6147265	6216036	6176324	5694550	6052991	5444404	5959679	5793473	5929989	5474738	5413649	6261392	6516192	6100914	6124239	6188250	6258086	6148212	5960677	6311741	6320551	6356136	6329003	6334178	6266799	6208433	6390263	6223641	6433013	6218119	6226729	6057065	6117414	6718587	6222113	6159742	6227254	6367451	6038201	6332810	5870142	6248700	6297485	6322644	6035735	6522366	6177402	6401643	6436472	6565350	5825777	6459154	6181024	6436175	6398236	6743908	6484384	6658337	6702214	6837991	6279114	6766482	6988726	6496190	6648235	6987784	6976415	6531440	6246293	6507552	6610967	6428552	6169588	6509252	6412785	6542572	6076378	6493718	6125101	6788611	5974410	6319823	6094549	6312308	6148882	6014366	6393257	6514145	6252997	6162450	6211340
15S-15-methyl PGE1 [iSTD]	4158853	4141359	4444491	4158438	4215843	4364827	4317396	4241755	4301073	4344380	4428660	4127578	4237475	4260412	4187543	4167817	4097736	4281742	4235818	4200785	4363578	4074795	4128092	4068083	4123480	4219727	4132821	4052613	4049655	4066998	4338416	4319458	4129235	4198410	4249270	4312296	3897821	4053455	4014023	4042942	4231630	4228511	4200598	4154711	3999224	4315589	4255095	4202604	4433422	4109056	4263076	4344228	4154542	4212066	4433840	4362406	4354470	4117010	4225496	4351807	4171318	4187048	4152810	4336808	4166403	4103854	6191360	3285873	4061923	4139658	4243116	4064203	4153667	4039710	4156828	3937124	3974559	4270469	4393923	4247872	4107673	4106652	3828115	4085390	3930764	4025163	3966525	3724616	4360992	4465542	4351631	4090222	4209180	4138466	4113179	4142699	4246722	4281090	4224852	4256642	4327879	4241192	4272463	4378596	4294793	4479023	4319564	4224219	4163224	4150862	4848498	4323293	4285844	4320544	4337428	4254464	4321236	3952241	4334449	4394836	4385942	4216524	4289997	4231886	4379482	4196619	4438992	3973379	4261580	4273161	4391034	4166237	4329601	4317003	4328105	4406667	4480553	4152442	4534894	4542107	4105407	4201561	4622088	4495081	4228653	4109460	4261172	4411374	4123686	4150702	4262593	4191435	4254994	4066488	4420482	4094168	4497692	3917900	4222191	4061761	4070956	4169945	4166406	4305906	4450580	4208420	4217115	4435381
Salicyluric acid	288	1027	1003	212			80	186	115		81		191	101					102	89												36			45					40	56																																1129	1085	1051	1415	603	762	877	443	968	856	1249	987	1152	1062	992	1200	1383	942	1177	861	983	1150	1203	1342	82	60	35				236	59	38	102	93			52	72	64						60	62		14878	12813	5673	14503	13219	13221	13293	15535	14509	14936	16978	17731	22376	23273	22736	23616	22133	23626	25166	24810	24824	25659	24992	26794				60		34																		
Mandelic acid	33290	36225	36455	36177	34839	36010	34724	36307	35808	37699	34480	34599	36620	38060	37570	37346	36651	37147	36805	36549	36875	35417	35441	34851	10179	9386	9648	9399	9793	9819	9727	9666	9531	9372	9172	9534	9534	9976	9306	9612	10041	10393	9803	10497	9860	9725	9835	9725	55399	56257	59134	55614	54354	59899	59781	59218	57351	53291	58655	55421	54800	57929	58937	58417	60096	59708	983	72056	59022	59044	60113	59873	101961	111664	104286	109176	98754	100410	100790	109881	113965	98117	116239	109858	109868	111983	111891	107197	108741	103730	114018	109288	117992	115447	118621	115923	26473	24369	22524	20570	22429	23158	20079	22876	20700	21036	22410	20708	22399	22176	25099	21161	21494	21534	21043	21327	22819	22088	22510	22688	16028	14544	18457	18943	19221	17825	19255	16164	15218	18226	16259	15539	20010	20564	20798	21385	20396	21049	21058	21808	21346	21816	22296	23632	10743	9814	9823	9958	9923	9620	9903	9253	9650	9521	9324	9431	9662	9278	9296	9696	9188	9757	9411	10056	9876	9587	9593	10235
Salicylic acid	29902	32204	31960	31829	29159	31003	30222	31540	31373	31136	29727	30149	32449	33263	32641	33337	33427	32949	34198	32777	32564	31659	31641	31379	9659	9707	9060	8775	8765	9269	8502	9250	8629	9985	8929	8514	8048	9256	8338	8843	8590	9206	8742	8550	8771	8417	9683	8916	43407	44061	42594	44119	43758	46717	46196	43896	44768	43603	43653	44735	44497	47008	48593	47000	47644	47229	4156	61371	46601	47634	46248	45887	49316	44435	48281	42401	45094	45822	44991	42432	42736	44163	42076	41136	49205	49516	49443	48554	48961	46328	49522	47058	53141	52343	51457	51176	26967	25756	24941	24920	25217	25114	24117	25338	24895	23383	24731	23999	24710	26104	33353	24240	24777	25241	25468	24834	25718	24552	24877	25233	18646	16299	18997	19116	21394	19124	20030	19757	20113	18597	19629	19621	21440	21094	21391	22606	21212	22142	21011	23351	21331	22092	22621	24954	10476	9408	9562	9709	9248	9597	9459	9137	9723	8852	8886	9427	9171	8818	8962	8560	8464	8880	8590	9212	9490	8832	9235	9535
Gingerol	493087	443124	676517	542547	486869	517486	567569	883646	658830	600580	819010	602435	1005138	678242	727773	693835	899341	1016407	943301	2017662	1633736	1379110	1389768	870931	1185512	1660430	1347809	920189	824097	1074493	805376	1159703	806668	1335471	874869	874217	844846	1128034	1027515	1174131	697210	1108313	1305214	648292	921038	592003	1328817	794353	740597	622627	569362	479517	544105	964894	499989	560581	528009	506826	577113	541538	604280	595921	758812	830851	717990	555862	575334	649443	711433	617974	541514	729528	760475	1058691	868563	1386291	1657038	939426	777301	1109327	848292	1042062	793129	973361	963345	1036857	1278233	1096140	1089841	758187	806438	961702	859380	816411	1114833	931346	1216577	705239	739158	1073203	954432	734781	1345220	779136	833267	709944	875020	856362	1117764	1076804	3954849	1735207	790830	712787	1066065	1036603	725555	962126	753525	768730	881304	883167	891786	1273837	1076013	825863	779275	1150368	1219563	820015	1007934	996449	787884	1314896	981344	1625043	1904057	1262223	785447	1353683	832122	798124	995043	1514219	617216	757610	1123704	569743	623528	576461	683546	567871	651192	515516	590929	609518	454165	456250	540611	438983	508681	467572	497003	552646	649762	671592	1370884	924029
p-Hydroxyphenylacetic acid	4936	4668	4264	5020	3844	4091	4802	5121	4683	4058	4677	4628	4915	5119	4958	4536	4677	4836	4719	4711	4668	4882	4454	4436	2524	7655	7504	2731	2108	6393	1779	6725	2799	5607	6441	2955	2192	1916	2011	2278	2111	1859	693	1169	2057	2149	1972	1639	133420	137353	119701	126705	142693	119623	121924	124439	126666	150096	121507	144825	130248	138670	137405	138953	137334	116783	453	72792	141995	140923	138716	136252	27227	23851	26320	23672	26871	25998	25199	23367	19115	24687	19461	17947	33167	30712	34484	30481	33592	32527	29609	33506	33324	33177	32091	31899	2740	2397	1961	2630	1774	1433	2168	1808	2289	2016	1692	1510	1556	1649	2046	1620	1602	1517	1481	1577	1608	1622	1399	1735	273	268	1601	501	1463	891	582	462	175	3074	236	388	1236	1300	1125	702	1602	764	531	657	981	870	956	600	5200	6060	2456	7023	2293	5849	2460	7364	6337	1916	2307	2759	2116	1825	1830	1604	1750	1860	1765	1717	777	1722	478	1788
Hexose	1299570	1348621	1564664	1339323	1509251	1328539	1193204	1335396	1234680	1585588	1176741	1316906	1291127	1313837	1290496	1274118	1315487	1281061	1325052	1288221	1285794	1283917	1310091	1307580	1505425	1852448	1859334	1428189	1492439	2117701	1454517	2070419	1422945	2045830	1667742	1459692	1449407	1511181	1429183	1448454	1433289	1579811	1426563	1519220	1495766	1493593	1471886	1458923	1129468	1137614	1330816	1085924	1084336	1231689	1293994	1318811	1266276	1140825	1263565	1121856	1045086	1093441	1116168	1079010	1072483	1056444	25214	1125896	1062041	1075355	1068435	1092152	2186700	2234667	2200221	2089713	2122252	2117357	2130864	2193420	2098576	2066612	2019328	2156444	2285653	2267681	2347040	2263760	2243365	2242988	2205719	2218683	2268360	2334504	2265968	2282044	2783615	3094885	2810907	2171766	3039196	2778945	1922083	2787859	2143870	3034247	2778691	2790045	2844499	2771358	2904957	2821186	2866395	2869794	2872625	2872354	2934649	2841335	2886927	2951146	3720121	3544441	4120827	3862200	3915240	3855431	4010122	3602612	3520948	3958952	3856111	3757803	4370886	4305733	4406859	4443666	4353850	4440591	4445559	4498250	4407095	4412507	4456198	4560558	1490903	1274436	1132025	1276464	1129205	1367891	1114296	1265468	1416559	1072085	1088505	1058315	1127029	1093310	1096455	1106796	1088364	1124378	1133937	1139184	1172947	1143346	1154389	1226554
P-Cresol glucuronide	5549	6318	6514	6846	5673	6410	6890	6404	7362	6772	6687	6403	6158	7014	6253	6145	6055	6208	6024	6112	6224	6912	6160	6056	15042	2708	2508	13491	14866	830	14112	1022	15289	854	4183	14087	14419	14856	14921	15848	15457	16338	14940	15005	15431	14485	15117	15460	15549	15711	15539	15833	15925	17918	16668	16778	15025	13855	17222	15972	17471	18299	15515	16411	16570	14819		18926	15788	15551	16832	15010	9694	798	10341	130	9524	10402	8027	543	297	7109	401	342	8818	7720	8276	8013	7882	7618	7667	8358	7871	8822	9033	8281	238	286	142	180	348	65	118	190	167	165	236	126		294	127	52	44		65	228	124	46	111				91	1941	1759	2105	2371			1974						59	115	87	59	72	84	81			767	1844	13423	2859	14321	728	14261	2786	883	13157	13044	13532	13690	13735	13223	12897	13282	14562	14804	14689	14920	15894	15319	16806
(R)-3-hydroxy myristic acid	25387	27116	39795	25308	36591	26316	80510	26971	80844	36762	77713	26509	26615	25312	25689	25548	25417	26174	26567	26653	26415	27174	25535	25627	27708	27195	26700	27957	29708	26820	30123	26251	27491	27684	27359	25908	25260	25849	25816	27396	26188	27399	26926	25441	25886	25904	26352	26530	38814	37405	43751	37447	38118	35084	35238	42878	33987	38894	41543	38153	38533	39002	40677	39135	38131	38754	28449	44044	38110	39937	37488	39642	32870	28069	30627	28152	28826	30005	33460	28287	26478	32226	26018	26328	28196	27095	27004	25852	27624	27755	26940	27405	28209	28484	27496	27656	27866	35121	26221	54398	36575	27075	54921	27596	55862	34585	26701	27173	26738	26136	26847	26845	26542	26745	26326	27170	26949	26844	27005	27500	30883	30610	28874	31433	29324	28981	31974	30754	32660	30582	30867	32879	28251	27923	27708	26861	28889	28112	28399	28887	27816	29292	30086	28164	34202	38633	30816	40726	30471	33145	30275	41250	34868	32672	31331	30482	28548	28542	28939	28196	28918	29098	28177	29424	28961	28604	28609	28887
3-Methyladipic acid	2112	1799	1501	2163	1318	1664	1452	2691	1478	1239	1715	2288	2338	1971	1942	2365	1640	2227	1949	2321	2123	2216	1990	2331	896	56	88	812	755	281	926	349	1093	326	295	827	744	1143	762	925	780	989	901	781	935	697	974	891	39305	40494	32302	35879	42235	34009	35425	33684	36372	45407	33668	42713	38568	39955	40242	40523	39922	36389	1011	29508	41598	41383	39618	39081	9346	7879	8756	6367	9587	7769	7829	7341	6171	6754	6034	7366	13015	11580	12735	12660	12369	12801	11714	12258	11476	11517	11277	11064	3856	2378	3062	3140	2323	4111	3508	3566	3094	3917	4031	4424	4493	5132	6037	5057	5018	4516	4867	4927	4449	5773	4831	5283	642	634	558	738	814	888	655	719	464	645	626	714	880	846	851	827	680	958	321	238	856	996	1003	1105	350	54	922	129	1006	327	1056	231	475	844	901	950	1092	865	808	899	830	817	932	998	794	982	981	1051
Azelaic acid	27172	24270	34299	32881	24879	22542	23375	31919	28323	21891	33407	24379	22786	22205	21671	22097	19946	24112	23258	27173	25564	27126	25073	23332	8853	7393	7044	8738	8329	5401	8215	5384	8777	6137	6818	8962	10504	10910	9829	11093	9267	10808	11697	8578	10190	9990	10880	9765	807719	801340	653986	741192	813700	736230	734793	670486	782598	830725	720677	821257	764846	798120	818583	823471	808157	727433	13961	407099	816956	831948	790886	805277	108840	66576	98587	58820	102936	96125	91147	67818	53661	97164	53525	62182	139506	123628	136343	127365	136985	133424	123527	131751	133156	133895	117723	132848	20857	16925	16214	24606	13855	16595	17226	19169	21196	29343	18712	18753	21158	17209	33977	20880	17964	17596	18460	20842	17302	20341	17527	21323	4423	4857	3966	4548	4526	4635	4158	4355	4144	4483	4214	4269	3779	3799	3368	3234	4079	2961	2994	3584	3532	2899	3145	3631	5207	6104	9832	7168	8365	5492	8227	8261	5914	7608	8911	10783	10608	9847	9736	10955	9799	8914	9200	9138	10803	9326	10421	9809
Sebacic acid	9814	9116	8848	9932	7773	8524	8108	9940	8102	7932	8546	8970	9174	8773	8952	9876	8828	9123	8730	10134	9396	10319	8980	9151	4947	4746	4377	5094	4961	4461	4754	4051	4670	4266	4378	4745	5519	5368	5185	5976	5473	5147	5556	4898	5443	5141	5271	4931	150937	148388	151654	148695	151083	158374	159930	154186	157044	153542	153377	159021	164541	164986	165512	161599	160525	156486	8271	200840	158809	167840	166675	166835	25289	13554	22957	12373	24303	22130	20482	14941	10647	22045	9571	14046	31103	27469	30207	29033	30480	29283	28022	30414	30626	30728	25678	29328	8959	9266	8724	10378	8672	8596	8954	8984	9895	11150	8677	9012	9095	8844	13028	9442	8618	8579	9195	9161	8791	8597	8820	9585	4494	4557	3799	4743	4450	4572	4186	4889	4522	4979	4418	4740	5201	5098	5142	4921	5246	4870	4996	5248	4978	4856	5099	4870	4336	4402	5406	4515	5000	4649	4942	4487	4544	4874	4916	5167	5487	5537	5855	5793	5723	4882	5316	4949	5529	4993	5507	5642
Undecanedioic acid	54435	53400	53636	52995	52057	54169	51366	53739	53547	52320	53356	52604	55143	53462	52928	53647	53932	53319	53575	54312	55032	53944	52380	54057	25400	23832	23090	26348	25703	23010	26461	22990	25544	23418	24086	27008	28883	27660	28023	28001	27925	26905	28846	26599	27377	28806	31504	29017	203847	202029	188721	198831	193587	208143	198459	188009	201010	193191	186493	191633	200847	204449	203636	201550	208579	206387	50017	260235	204996	215348	215957	214907	53927	36988	47301	34952	55110	46345	42748	37068	34021	45864	34125	36022	101581	112499	121489	124179	108251	119840	83999	104160	96686	92628	70296	89543	52075	51571	50751	51599	51941	52163	50256	52100	50225	52937	51961	51498	50761	49661	54703	52280	51772	51702	51553	51892	51268	51968	52941	52833	22122	23263	23832	24608	25082	25848	24623	23222	23713	25672	23247	22442	25369	25204	24598	25368	25769	24515	24952	24650	25260	24578	24661	25242	24237	24540	25328	24238	27087	23232	25652	24320	23398	25516	25318	25970	28782	29465	28707	28803	28904	26573	26890	26170	26534	26633	27623	27188
Dodecanedioic acid	22738	23109	23713	22867	22766	23139	22727	23409	23633	23285	23221	23388	24096	24193	23017	23388	23132	23835	23580	24271	24483	24133	24053	23130	12840	9878	9730	13086	12492	9547	12412	9711	12625	9889	9493	12392	13257	13425	13580	14397	13083	13251	13880	12773	13519	12733	13168	13154	51149	47261	49508	49460	49232	50653	51205	49200	50314	49325	48971	49929	50707	52305	52270	52225	51810	52302	21301	68117	49463	51984	54194	53693	37893	14665	36932	13568	36722	36904	26739	15033	13410	34011	13274	13776	43183	42155	42838	41380	40871	39696	39768	40316	42323	41896	40927	42502	21120	21671	20916	21171	20913	21776	20559	21101	21298	22998	21639	21416	21395	21553	24807	22726	22126	21735	21710	22621	22206	22172	22824	22971	10473	10083	12028	12834	12775	12741	12717	10684	10458	12700	10644	10800	13052	13170	12539	12738	12974	12076	12651	12767	12215	12796	12475	13423	10362	10397	12899	10332	13781	10330	12418	9754	9794	12595	12616	13000	14513	14300	13851	14364	14016	12939	13018	12524	13324	12881	13708	13490
Tetradecanedioic acid	16960	17846	18164	17720	16913	17754	17643	18868	17590	17092	17500	17827	18273	17774	17225	18029	17555	18261	17410	18433	17599	17350	18297	17042	17006	17157	17371	16939	17174	16863	17302	16911	16743	17531	16466	16950	17262	17021	17529	17365	17393	17018	16674	17107	16905	16631	16187	16601	19508	19650	19490	18858	19816	19190	19771	19132	19051	19738	19238	19101	19706	20137	19818	19327	19278	19872	15905	20810	20295	19762	19307	19596	20620	20170	21027	65473	20206	21705	20897	21853	20790	20845	21279	20869	21401	21649	22028	21420	21700	22223	21277	22255	21994	23323	22613	21902	16999	17332	17033	17205	17659	17767	17547	17916	17049	17594	17626	17254	16826	16504	18119	17373	17051	16933	16600	16684	16531	16780	17183	17200	16878	16707	17765	16866	16809	17170	16315	17394	16410	17120	17025	17724	17483	16720	16915	17103	16865	16736	17117	16914	17331	16785	17907	17878	17424	17152	17282	17089	17253	16846	17753	17319	17231	17465	17959	17433	17029	17403	17657	17525	17111	16866	17256	16888	17124	16896	17147	16930
Hexadecanedioic acid	20555	20284	20561	20570	20612	20656	20332	21342	20990	20934	20867	21253	21010	20536	21274	20877	20557	21444	20835	20928	21345	21105	20353	20651	20218	20109	20269	16963	20591	21561	20632	20638	19532	20170	20587	19775	20394	19773	20445	19543	20874	21377	19043	20506	20488	20153	19755	19764	20117	19663	19714	19756	21781	20927	21506	21473	20771	20535	20656	20785	20860	19957	21036	19982	20215	20100	18786	20099	19563	20361	19835	19490	20837	20393	20418	20287	20846	20778	19852	20502	20664	20332	20346	20823	20915	21019	21450	19747	20710	20977	20630	20190	21315	21164	21338	20603	19918	19296	19646	19211	19750	19539	19949	19240	19335	19264	19648	19331	19283	18652	19654	19399	19804	18964	18756	19300	19559	19007	20109	19823	20769	20497	21144	20862	20578	20719	21388	21291	20874	20715	19788	20642	20656	19670	19565	19559	20721	20156	20562	19991	19174	20140	20709	20407	20917	19923	19917	20379	20689	20101	19699	20534	21095	20705	20597	20065	19235	19381	19746	20286	20110	19358	19983	19970	20268	19843	19494	19923
Eicosanedioic acid	80024	86953	79999	78185	74501	75118	82795	91114	76248	72085	80789	84482	84042	81319	71784	81799	90694	83858	78925	70913	86159	80608	83659	90703	94194	108877	101751	92255	89647	93557	99403	103181	92793	89013	90668	101092	89649	88285	102713	89847	86089	90016	89167	92644	92795	89228	104211	90477	84616	91283	82007	93660	94151	94021	93334	88900	85477	84103	103528	100672	85344	96614	102574	99102	92607	103947	87078	88196	92181	88769	92200	90795	118057	87022	107297	90180	88145	103022	103726	100266	103862	82872	101155	100047	96620	104576	106507	107027	92720	82025	92384	106675	99829	119001	94928	90599	84860	100434	102855	90928	96518	107333	110469	92947	100513	98823	97649	84552	104477	76446	91669	89189	93404	81272	101125	83459	97784	80520	89656	72494	94525	87972	96040	89775	91785	83890	84213	108366	73112	94071	89031	79547	100128	92943	81352	83686	99264	84397	93118	79968	86506	98360	100825	95383	114661	109236	110313	119640	88568	102247	96071	112214	110841	108339	92849	110825	81971	102589	97531	106798	84666	105084	97614	102039	96495	93235	84450	106236
Hydroxypropionic acid	294523	295861	225479	304653	221830	319831	678865	325637	636153	215681	736857	307674	326783	343068	314550	340477	315889	316074	311859	322413	352238	301917	311918	309414	39144	33771	29046	49501	44492	26946	50240	25477	52429	23241	31425	46897	73046	75283	72294	77871	71182	73899	73738	73747	75207	70348	66957	65624	184714	181030	125769	177635	171156	142263	124520	105452	132136	164753	116763	163879	175014	160108	167551	165716	169648	178490	39006	124877	175305	173691	174747	167010	34179	27040	37059	29323	37898	37818	32760	25611	35194	28429	32514	30336	40092	43494	38651	40492	37733	37304	36498	46381	42715	35568	43181	41541	167993	180352	168979	694301	193139	172571	670632	169152	722587	185732	173536	165337	164573	155207	194614	171155	162779	165124	172738	167450	156494	170567	163386	165096	40796	42631	46078	39196	39699	36402	42764	29135	41525	38477	33264	42582	44759	41153	42191	45971	45015	40893	41983	46349	52128	39012	37225	42412	36308	37615	45532	40408	57387	40106	56180	39227	35906	49348	47042	56614	74747	73698	80184	80750	92072	78987	80216	73574	69384	72843	69752	58434
Hydroxypyruvic acid	1236	1356	2153	531	936		1880	282	2400	1002	1937	504	511	167			412				443				112862	53526	44723	162309	139043	35460	150160	32213	162204	36713	59888	135554	1757	2287	1840	2200	2309	1811	1075	1598	1424	2182	1569	1711	7481	6525	8739	4756	7320	9492	8726	10328	8704	7931	9674	8186	6679	9264	8860	8706	9459	8071	178	7789	7195	8448	7296	8024	58216	23871	58014	24937	59065	45242	53336	28114	23799	53804	21337	27071	2797	3885	3372	4539	3070	4969	2426	3610	3275	2139	2920	2451	2019	2989	2813	4156	3383	4798	3883	3365	3466	4513	2286	1883	4003	3643	3127	2376	3270	2494	2919	3597	2431	2729	2673	1998	17686	23802	22147	26518	26379	26562	26453	15100	15167	32639	20067	15676											264		214389	205904	114548	204223	136537	220443	107526	215529	235419	116569	101634	119898	2085	1574	1965	1026	1577	1288	1100	492	1116	574	1003	
2-Hydroxyisobutyric acid	28487	30785	1033052	87995	1009727	77233	1717468	75269	1734709	1026836	1839812	44862	16690	15566	13696	13969	13684	12902	11786	12419	12637	10817	11881	11690	9713	7536	7087	11082	9390	5680	10990	6247	11149	5177	7756	10198	13134	13409	12642	12168	12819	12894	13323	12935	13352	12784	13252	13283	30216	44385	347551	30485	53754	244117	305395	365256	264916	60894	403975	28094	16129	15951	16767	16906	15311	16005	7131	12326	15265	15087	16137	14594	7031	5710	6893	4795	8105	7640	7017	5205	5410	6607	5231	5364	7692	7500	7091	7816	8227	7344	7897	7273	6276	7382	6827	7090	83011	726000	103901	1631936	807714	35394	1613327	111321	1689369	767256	32578	34035	15479	15153	16231	14664	14385	14992	13838	14834	13600	13447	12672	13014	8170	8019	6261	7358	6977	7089	7761	6510	6564	6161	5680	5565	6795	6217	6069	6451	5717	5478	6439	8007	6296	6215	5472	5363	6930	8617	11791	8846	12343	6617	11983	8218	6972	11608	10483	12115	13397	13669	14602	14962	15022	13861	13151	13687	13213	13609	13784	12215
3-Hydroxyoctanoic acid	30251	33067	32907	31744	31213	32698	31290	32414	32161	31945	31208	30399	33547	33791	33446	32683	34035	33419	35269	33782	33559	33228	32807	31237	9540	10152	9778	8992	9346	9662	9245	9828	9099	10483	9115	8925	8446	9273	8736	8885	8829	9445	9259	8913	9405	8706	9790	9014	19569	19324	19299	18435	19232	19254	19428	19003	19168	19294	18891	19323	19915	19913	19358	19897	19960	20006	848	25287	19535	19539	20147	19680	35235	35341	35210	33155	33328	34056	33288	34480	33974	33347	33528	35009	35252	36178	35955	35944	35167	34631	34480	35350	37137	37660	35990	36662	10897	10994	11018	10651	10853	10430	10377	10853	10377	10586	11006	10969	10523	10552	17876	11025	10714	10636	10739	11029	11075	10771	10772	11093	13514	11858	13126	14018	14246	13343	14253	12880	12585	13262	13657	13477	14187	13665	14600	15236	14363	14454	13826	15230	14109	14735	14495	15598	12899	10925	9595	10763	9611	11668	9733	10944	12163	9076	9032	9118	9101	8718	8396	8609	8133	8974	8620	9257	9442	8684	9202	9300
2-Hydroxyoctanoic acid	1083	784	1329	1092	938	797	1277	1406	1391	935	1574	723	1217	807	999	996	1037	1033	950	1464	1269	1283	1187	880	1445	1484	1260	1180	1081	1341	1210	1339	1042	1857	1360	1179	1049	1239	1393	1221	1106	1352	1474	959	1406	1059	1604	1124	20436	20699	20753	20424	20160	20946	20727	20457	20123	20077	20539	20096	20836	21304	21366	20986	21047	20588	595	29632	21044	20895	21317	21354	13881	14192	14010	12520	13147	14131	13853	14244	12725	13209	12701	13551	14629	14615	14972	14291	14101	13723	14118	14857	15079	15545	14835	14772	1108	1368	1073	1817	1339	900	1627	1170	1558	1432	866	1171	1083	1068	2896	1635	1154	880	1088	1198	844	1252	943	1178	1648	1124	892	1347	986	1114	1028	1743	1520	743	1636	1710	855	877	992	1110	1090	955	958	1039	772	763	911	1056	969	1020	1182	1022	1009	1068	958	1289	1106	834	917	1019	1088	880	939	1056	769	782	824	1017	995	881	995	969
3-Hydroxydecanoic acid	28890	32879	33604	30936	31510	33295	32399	32336	33478	33951	30853	30895	33815	34612	33411	33832	33724	34639	35238	34023	33765	32998	33506	32513	11383	12437	11004	11076	11743	11926	11411	10922	11078	11941	10717	10580	8740	9244	9059	9313	9277	9950	9324	9442	9394	9220	10013	9616	27184	26860	26659	27031	26035	27845	29142	26691	27200	26682	26522	27614	27817	28977	28704	28230	28800	27556	2345	41227	26260	27834	28833	28360	43520	43131	43377	40332	39242	41620	42668	43381	43539	41856	40596	43422	43763	43808	44853	42218	43225	40375	43849	43049	45784	46853	44704	44919	10197	10211	10330	10393	10440	10427	10149	10383	10225	9899	10369	9760	9805	9826	12857	10280	10015	9744	9727	9969	10308	9368	9792	10113	15179	14100	15557	15993	16412	14939	16632	15297	15782	15498	16948	16447	15133	14750	14987	15831	15284	15133	15564	15275	15593	15491	15391	16205	20241	15814	12395	15369	12444	18642	11878	15086	18727	11921	11460	11509	9915	9672	9528	9442	9171	9761	9898	10187	10376	9961	10093	10889
Juniperic acid	37651	38639	40215	38542	38216	39949	42514	41226	44802	39263	44607	39032	38930	37313	39208	37974	38880	39935	38978	39571	41115	39884	39702	39881	40378	39982	39549	40420	42024	25257	41027	41368	40523	45110	38385	40426	40510	41179	39880	43085	41628	41986	34845	39972	40394	40038	39568	37451	40963	42228	40503	41659	42572	40499	41999	41565	40965	42636	40645	43156	40628	40490	41888	42024	41191	41020	33907	43891	40142	39829	39011	40966	38778	36110	44435	36195	41306	37342	37833	37462	36730	38049	34604	38644	37011	42015	39831	38632	38971	39593	38973	39470	37387	39255	46452	40670	38150	38953	36785	39982	39174	37881	38737	38918	38300	39180	39121	38333	37455	37024	39908	39246	37021	38036	38400	37327	37543	38913	37427	38157	40775	38967	41712	42670	41758	39835	40739	41766	40809	40292	41142	41944	43515	42433	40956	40644	41971	38637	41135	41372	41233	40763	41483	39994	40890	39325	39337	40199	41619	35813	39570	40184	40274	39895	38881	40011	39370	38589	37388	39729	37889	35345	38108	40770	37326	46477	38554	36772
2-Hydroxy palmitic acid	1992	1683	1955	1486	1976	2106	2081	2600	1900	1572	1744	1766	1726	2288	1734	2169	1959	1546	2154	1781	1022	1972	1665	1797	2071	1815	1983	2296	2020	2079	2069	2224	1949	1889	1897	1698	1154	1514	1952	1949	2114	1929	1408	2001	1169	1860	1372	1954	1867	1335	1735	2314	1542	2325	2609	1848	1975	2267	1830	1901	1868	1952	2183	1506	1436	1886	2101	1701	1790	1410	1866	1661	1906	1792	1670	2006	2488	2083	1537	1878	1506	1818	2305	2011	2667	2763	1745	1885	1786	2282	1742	2252	1682	2271	1937	2224	1851	1840	1766	2210	2100	1630	2228	2274	2173	2042	1781	1775	2164	1614	1208	1994	1813	1435	1990	1835	1391	2229	2102	1627	1966	2608	2156	1913	2127	2141	2195	3277	2284	2311	1936	2685	2349	2532	2408	2433	2330	2248	2129	2064	1801	2303	1873	2204	2422	1386	2586	2336	1992	1857	1779	2325	2593	1786	1926	1798	1575	1873	1734	1710	1852	1740	1833	1597	10363	2257	1854	1860
2-Hydroxyoleic acid	256134	267034	301823	278120	305963	299726	279067	246513	259910	302803	238639	350244	317724	203341	287921	304408	173171	264253	223325	287792	267290	203613	249362	208069	255846	183990	232094	263948	251898	260838	259271	253179	229575	234426	245262	252876	212614	245521	250640	261556	266304	311156	249757	236216	228306	278632	314403	257198	235847	243003	222478	243189	260238	284799	251221	322262	232517	296183	272626	244777	247203	269372	241717	257666	336830	275772	259802	282754	268438	281432	235418	280863	290642	223220	321773	273020	314986	294541	227236	261303	250913	251541	220024	235354	270308	229440	256677	263125	268046	274122	341345	266461	333535	272672	250375	282583	231265	249381	234406	286396	308973	288168	314293	238058	324740	264211	210464	261940	265947	236679	208553	252131	244087	285987	251195	279811	216324	226591	289196	282609	392932	302079	275551	298347	315332	262636	271981	331792	210652	301418	330712	359985	240140	201429	199618	192162	223257	216638	225117	253271	256233	251558	218171	199478	267544	250924	222491	231899	256257	292038	282530	271109	240948	238087	236092	251632	224857	224925	275729	254442	248839	216598	252019	229533	218485	235677	250757	229277
2-Hydroxystearic acid	1854	1974	1745	1775	1841	1768	2005	2075	1678	1527	1668	2082	1893	1766	1902	1885	1690	1416	1651	1355	1791	2021	1825	1580	1990	2096	1820	2163	1959	2645	2178	2271	2396	2308	1853	1920	2180	1658	2196	2095	2062	2459	2320	2178	1782	2198	1868	2843	1766	1522	1793	1731	1976	1838	1994	1804	2003	2165	1995	1892	1703	1813	2005	2321	2239	2124	1936	1904	2031	2125	2474	2036	1991	2627	2163	2362	2572	2008	3197	2524	2179	2089	1703	2221	2153	1771	2450	1916	1805	2469	1971	1818	2273	1793	1559	1730	1718	1955	1311	1638	2141	1760	2044	1728	1933	1566	1556	1682	1396	1828	1700	1528	1345	1640	1606	1549	1827	1575	1356	1594	1778	1675	1923	2355	1848	2077	2173	2174	2499	1989	1858	1539	1711	1992	1791	1650	1881	2268	1780	2048	1444	1972	2237	1759	1496	1835	2071	1954	3132	2243	2338	1982	2371	2497	2031	1689	1886	2106	2420	2039	1515	2005	2065	1683	1684	1775	2226	1973
Levulinic acid	2682	2387	12417	4678	7445	3608	36288	3718	39227	7677	39487	3003	2683	3014	2573	2827	2255	2505	2039	3304	2851	2405	2627	2760	1415	1381	1605	1685	1269	1181	1713	1153	1818	1222	1510	1681	2246	2056	2241	2125	2303	1884	2364	2211	2041	1984	2088	1626	7247	6552	35280	6488	6798	61608	93312	21092	63509	7419	22669	5793	5881	6044	5469	5497	5632	5895	4202	6989	6108	5189	5558	6146	2034	1629	1723	1261	3333	2645	2021	1247	1663	2315	1833	1558	2965	3543	3495	2940	3503	2503	3814	3380	3130	3471	2969	2961	7304	7462	7193	10155	8151	3033	10272	8442	10247	8422	2788	3418	2715	3130	8913	3433	3096	2837	3230	3698	3173	3470	2751	2637	2424	2608	2690	2366	1693	2036	2380	2661	876	2220	1512	929	2893	3089	2717	2720	2534	3271	2371	2536	2227	2140	2358	2317	1183	1822	2213	2356	2388	1708	1928	2242	2316	1964	1790	2318	2177	2343	2071	2275	2330	2268	2076	2214	2196	1811	2067	1755
Caproic acid	706	764	802	820	856	745	974	776	965	827	849	736	756	769	780	822	787	790	809	760	760	779	739	773	107	91	77	122	101	33	132	49	150	37	68	87	180	146	144	123	174	154	163	121	162	131	132	135	1274	1150	1318	1333	1152	1301	1269	1324	1287	1239	1249	1209	1240	1351	1289	1268	1371	1295	11	1893	1343	1397	1415	1367	243	160	295	130	263	260	237	128	119	232	135	139	428	438	362	373	364	446	355	477	438	420	329	444	1000	1131	1032	1115	1131	1061	1134	1053	1026	1047	1042	972	1055	999	1153	932	939	967	998	992	991	957	980	1054	151	168	232	274	284	304	337	179	118	253	151	183	422	432	448	482	380	473	453	453	429	488	482	486	14	63	114	74	106	59	90	39	53	71	101	110	146	109	129	143	138	121	129	115	119	143	128	87
Caprylic acid	1839	1976	2444	2020	2445	2065	2987	2004	2954	2682	2877	1983	2014	2106	1934	2065	2062	2074	2105	2093	2057	2099	2056	1993	1712	1889	1883	1516	1590	1906	1531	1745	1551	1989	1730	1390	1181	1305	1133	1178	1194	1277	1203	1179	1244	1164	1280	1184	1749	1717	2151	1696	1746	1925	1986	2094	2028	1760	2064	1751	1803	2007	2005	1880	1961	1883	405	2656	1796	1829	1881	1855	1883	1748	1893	1931	1580	1640	1785	1896	1925	1914	1751	1942	1377	1328	1435	1247	1306	1317	1325	1320	1509	1461	1443	1477	1776	2050	1799	2112	1945	1786	2188	1811	2287	1816	1937	1674	1776	1807	2334	1795	1798	1727	1761	1795	1812	1724	1908	1814	2188	1974	2060	2085	2072	1901	2282	2236	2275	1973	2308	2341	1899	1905	1888	2055	1835	1864	1904	1932	1948	1918	1906	2047	2721	1943	1533	1888	1464	2574	1313	1874	2730	1644	1422	1529	1196	1274	1224	1179	1134	1262	1223	1288	1255	1309	1353	1260
Capric acid	6351	6921	6856	6739	6705	6830	10493	7362	11007	6665	10663	6670	6821	6564	6853	6418	7477	7328	7583	7478	6507	7633	7294	7239	5748	4153	4197	4993	5209	582	5054	3796	5444	3953	4321	5734	5619	5687	5396	5555	5408	5872	4620	5442	5614	5783	5708	5760	5327	5549	7975	5419	5378	5552	5709	6641	5590	5216	6792	5319	5603	5844	5474	5075	5426	5272	3521	5979	4988	4961	5125	5227	4754	3579	4500	3577	4631	4854	4671	3570	3639	4791	3569	3869	4635	4696	4737	4455	4498	4368	4745	4839	4647	4825	4845	4745	4823	5234	4947	8383	5169	4861	8327	4803	8018	5175	4692	4584	4595	4539	7837	4982	4531	4789	4520	4770	4588	4586	4820	4825	5194	4633	4812	5012	4694	5030	5140	5240	5025	4898	5150	5086	4708	4811	5191	4911	4771	4982	4802	4870	4881	4732	5021	5114	4069	5547	5059	5276	5380	4253	5437	6092	4314	4863	5501	5108	5543	5359	5258	5674	5250	5275	5408	5393	5817	5422	5376	5720
Lauric acid	18089	18153	17000	17307	17491	17299	26774	18064	25202	18708	26214	17332	17062	17342	16825	16869	18532	17278	17094	19939	16377	20692	18628	19173	17585	18468	19383	15999	17285	18210	17480	17954	16610	17077	15912	16693	17798	17319	16268	18230	16218	17423	17342	15867	16343	16622	17359	17384	18265	19536	21302	19367	17958	17812	17537	19452	16063	18833	19190	20673	18311	19088	19020	20019	19488	19183	16482	20140	17779	19242	19146	18410	18112	17543	22143	17149	18891	17848	19098	17635	16470	22154	16145	15994	17759	17523	17717	17099	18311	17520	16684	17611	16860	16388	17556	16613	17056	18408	16580	44730	18707	16583	42930	16665	43214	18063	17441	16557	16584	15900	29277	16401	16442	16744	17007	16584	15471	17915	15934	16915	16115	16071	15658	20262	17214	17315	18117	17672	17000	16896	16969	16543	16529	16222	16214	16197	17541	16485	16263	16757	16871	17035	16511	17234	16161	16196	16584	16207	17494	16841	17174	17769	17043	15958	16635	17985	18038	17253	16693	17090	17770	17893	16599	17958	17833	17226	17026	17329
Tridecylic acid	3364	3532	2723	3940	3456	3903	4639	3685	4108	3589	4553	3434	3434	3449	3605	3796	3876	3468	3704	3623	3767	4227	3797	3581	3627	3571	3832	3347	3417	389	3720	3903	3555	3633	3385	3439	3594	3584	3514	3835	3492	3488	3361	3393	3273	3418	3545	3792	3386	4051	3813	3784	3970	3476	3825	3903	3559	4017	3776	3844	3438	3331	3321	3585	3236	3425	3479	3440	3198	3304	3191	3585	3169	3513	3491	3640	3435	3229	3423	3438	3107	3316	3082	3192	3424	3665	3047	3299	3578	3414	3347	3343	3271	3339	2997	3352	4003	4502	4238	9666	4227	3533	9915	4264	10174	4502	3618	3510	3735	3403	4703	3538	3453	3516	3616	3469	3295	3552	3419	3450	3432	3119	3517	3657	3496	3679	3636	3612	3542	3544	3401	3894	3632	3823	3482	3274	3423	3578	3532	3427	3500	3375	3494	3654	3735	3289	3435	3307	3645	3398	3592	3196	3374	3292	3785	3205	3155	3519	3395	3384	3511	3628	3657	3543	3409	3311	3117	3046
Myristic acid	40215	40304	65459	38983	63181	40193	143187	43026	145681	68868	139083	39273	38512	36500	36891	36092	37734	37325	38002	42051	38867	42893	40015	41060	37585	37860	39599	38994	38017	40135	39539	41007	38589	45007	38388	34597	36133	35755	37862	41378	34524	36855	37899	33208	33909	32198	31488	36313	34154	33113	45247	33855	32761	40830	41358	40843	39749	32491	38831	33456	30931	32129	33644	35400	35151	34530	32210	36687	35695	32740	37245	36590	37905	33158	44297	39218	40467	37192	36332	38788	41323	40032	40383	37134	36907	39579	40098	37321	38633	41198	37171	39094	40219	36319	37264	36424	30535	50814	31197	338151	49795	28141	326989	31903	395651	47729	26448	27967	27392	25176	37998	31221	27691	28941	29112	28697	28876	27787	28390	28146	32747	33871	29985	34811	32296	34872	32992	46150	44095	33797	35347	44683	30351	30716	29016	29350	33474	32547	29654	30953	25708	28666	29826	30713	41004	35854	36262	41419	39525	39000	38520	37935	39782	38048	39196	38275	41089	37718	36364	36720	37008	37645	37212	36194	47703	36170	38839	39600
Pentadecylic acid	20764	20478	22848	20873	19339	21159	22819	21121	23644	21361	28170	20571	19606	19388	18795	20108	18143	21231	19155	20531	19378	21724	20476	22362	22116	21525	20629	18756	20727	19329	19485	18323	20793	19997	19236	18858	19028	17100	19687	19854	17975	18974	18687	17511	17625	16218	17923	18674	16177	19148	16597	15562	17290	17464	16610	16422	15465	17237	15981	15693	13727	15091	16888	17032	16775	17216	16503	16549	17238	16953	17986	17538	17279	19240	17580	19507	23570	21899	19841	20045	21713	17736	20876	20200	18998	18532	19655	19627	18319	19890	17132	18054	18393	18102	17252	16019	23882	26480	22477	57362	21353	19176	54444	23424	61435	22627	19295	16674	17800	17721	21358	18167	19344	18285	19376	18155	19165	18704	16881	15366	16821	15025	17650	16223	17440	18497	17086	20166	16719	18810	17451	16107	18994	17823	16143	16339	17387	16340	17373	17476	17181	14083	16218	17280	16595	16759	15863	16992	15384	16131	16157	15900	16282	16426	16555	17393	16244	16126	15469	16087	14538	16152	14801	16239	41912	16483	15368	16585
Palmitic acid	887390	834385	825534	837910	833090	827643	968732	891866	915924	829076	949790	889801	875614	839558	941403	912995	911926	865309	862550	873510	943410	1065662	1017852	971989	966037	1067612	985836	1001523	960060	1117507	988794	1022018	1003909	986468	936955	884929	947436	883595	966869	948670	923096	917533	935361	936823	861287	918656	898580	975703	803651	771626	786688	825967	839754	818888	820815	810633	799667	852354	806797	818210	726544	752684	825203	783324	833569	814445	862822	777635	771606	810530	897617	817435	843197	901371	874999	919586	949434	897211	1082203	921439	900357	873811	826988	883007	890935	842774	907517	853632	780922	913841	825972	816635	874221	853702	840404	796019	767407	831672	736107	885503	925531	851699	999021	799812	1002737	794019	725040	688138	713732	728073	706065	753287	744803	714061	758875	766828	745541	796464	775607	703676	843887	834235	856129	891478	857864	809179	791793	1002218	956553	902884	922488	858417	852255	835545	793275	734662	826368	844535	776499	846347	816253	804344	856928	769420	842188	871889	910737	1011847	1061499	968498	947126	925498	967164	1022881	1045406	905258	899565	908308	936809	890706	912296	1002068	888540	897019	940962	909108	903985	945144
Margaric acid	10417	11449	10365	10695	10035	13544	13513	12140	12923	8662	14231	10139	9204	8579	9953	9642	9030	8929	9308	8880	9804	10785	11339	10100	11149	12034	10461	10798	10354	11992	10196	10273	11396	11709	10995	10282	11308	10558	11051	10422	11312	13397	11140	9772	10491	10749	10890	10905	10266	9645	9942	9607	11510	10090	10326	9858	9653	11403	10143	9992	8785	8367	10016	8939	9594	10365	11279	9158	8941	9470	10178	9682	10189	10900	10654	10941	12524	11294	13627	11011	10358	9752	9588	10755	10313	9928	10976	10642	9144	11641	10109	9242	11206	10639	8332	9569	13735	12158	11732	20483	15206	13574	21881	13962	18952	10051	10755	10253	12429	9563	10269	10436	9942	9621	9282	10323	11792	10756	11896	11265	9864	10344	11579	11543	11288	10308	11809	14919	12035	11452	11851	12046	7912	11011	11091	11702	9363	11041	11029	12002	10018	11118	12194	11770	9395	11354	11374	13553	13517	11379	11414	11245	12495	13119	11966	11862	11837	11195	11763	10423	12019	11640	10448	10648	24161	10109	10375	10468
Stearic acid	311321	242951	224888	262480	261475	249944	331452	297024	243855	193933	256533	268603	271093	214721	346187	260181	255205	192368	186068	200298	275080	383481	322448	296157	322546	432547	320621	340380	287975	509594	340308	429354	474595	486734	341748	326764	419385	331930	473823	444941	394541	450857	469501	544071	320786	448900	409794	473158	282693	192496	258996	312912	324465	271533	250244	236713	256756	308757	317504	287268	266800	280588	309107	250563	339880	305858	367799	279757	239081	276793	388195	260449	312085	350528	233997	333134	387877	324849	547646	350286	297874	306549	263983	301953	290848	239050	296595	296810	216418	295666	276264	292946	315804	318188	276192	250645	288074	327083	245054	278409	418336	338864	322260	292650	339778	243756	230712	228629	224107	337403	264335	259927	247290	178677	233227	287885	285727	348641	249453	183687	334324	354133	375187	507171	431219	314696	326897	392442	430910	373065	354408	304509	360018	377478	292830	250665	389381	409714	310982	446615	289921	433587	434010	245630	228908	314053	400968	452533	546390	474489	406715	371442	507539	510282	538410	254574	293815	370258	452547	374822	419274	495527	406093	352233	370433	455244	454502	566514
Nonadecylic acid	30819	22417	19505	25817	21144	25425	36346	34267	23544	15197	27569	29197	24823	16856	46129	24244	25752	14129	14672	16777	27352	45461	44120	28923	38344	54907	33483	34534	23762	69212	31831	62176	56404	71653	42557	34302	55314	41642	79040	59610	49670	70795	65081	91382	39018	56515	54684	67564	36651	18999	35267	38564	51910	32241	23757	23547	30910	38879	50136	31303	38182	36149	42605	29434	50948	38567	55624	36440	29767	36283	63822	27829	45742	57912	25660	46392	70152	50411	91137	53305	35435	43801	31985	46201	42643	27679	40063	37568	21328	33248	31974	37141	39085	49439	31798	25681	34876	34301	23724	34172	55801	34989	33358	24649	37188	17154	18536	17258	12171	30505	23864	16792	18029	5587	10529	41418	25459	29673	8733	8457	35969	25495	44389	61290	47228	22316	27727	33619	53162	30938	31526	24164	34412	30829	25909	15327	34674	37980	21661	42497	26956	39759	40951	14326	5908	29652	53734	57602	71491	64972	59455	38931	80144	67097	82297	20719	26357	41716	65600	38374	43250	61451	40794	39092	98742	56394	56382	74480
Arachidic acid	4324	2651	3281	8080	4203	3580	5155	4091	3376	2246	3820	3520	3507	2497	4968	3048	3139	1708	1722	2072	1855	5237	2980	2282	3567	4854	2908	2917	1952	4922	2236	3647	4216	4652	2405	2227	3004	2423	4275	3361	1828	3039	3413	5289	1815	3228	2797	3346	1340	995	1764	2097	2325	1687	1576	1216	1609	2175	1863	2018	570	2367	2512	1801	2701	2080	3582	2251	1832	2377	4925	2041	2462	3227	1926	3509	4962	3331	6592	3745	2294	3098	2419	2830	2896	1973	2718	2749	1793	2231	2745	2965	2816	2650	2215	1765	2951	1835	1420	1693	3861	1917	2063	1483	2440	1100	494	910	1265	2393	1573	1340	1243	730	909	2585	1266	2155	1020	296	2335	2085	2745	5068	3549	1927	2126	2578	3441	2030	2580	4081	2824	2330	1788	332	1509	3541	2128	3326	1840	3259	3647	1005	777	2083	4038	6773	5596	3800	3315	2575	5396	5065	8010	1366	2092	3563	4252	2464	2875	5803	2842	2309	5208	4443	3985	7349
Myristoleic acid	912	1086	3549	474	2270	552	5087	878	5268	2482	5273	836	298	753	1262	107	594	408	514	1519	329	612	562	845	278	317	224	251	249	2073	285	184	311	271	223	367	367	224	422	367	669	489	526	606	455	294	367	662	606	541	2793	777	446	755	1128	873	1160	676	1734	851	837	814	828	917	775	871	274	1116	705	722	733	818	760	604	946	384	834	319	199	220	329	602	323	244	778	705	736	716	816	705	640	760	730	630	1998	609	823	2480	710	21725	2792	466	24081	750	25973	2866	1849	1121	570	515	505	531	458	489	658	469	556	1066	517	543	515	328	535	852	770	870	676	426	402	678	310	232	708	962	607	546	861	548	595	593	732	517	498	532	275	670	514	466	437	312	473	430	254	160	231	370	423	413	519	548	583	471	603	427	578	530	459	585
10-Pentadecenoic acid	42742	32854	98340	105258	83004	125460	167673	102923	180394	110075	181418	45690	33362	37846	36805	32152	37153	47243	36857	31556	32743	32284	33082	37312	32521	39840	35172	49507	34039	40435	37243	40130	41977	17281	29634	28106	37684	31505	31377	30204	29571	36005	29458	37581	25289	32370	33657	28535	52132	162137	582145	43583	171825	200491	282929	202980	265412	171330	159847	33906	35603	35364	46023	53725	41161	48703	40044	35198	44766	35815	40537	43711	49114	32644	39054	50129	41868	43119	29614	30198	39568	30288	41498	43208	34867	30396	43876	32420	41413	42716	35904	41495	32168	43815	35263	37389	160144	704636	194369	5501422	748036	49410	5733404	239768	6427524	734651	34914	43885	41165	39133	44531	41822	37891	35474	43993	45299	44689	39364	47890	32766	33103	33169	37583	61583	43987	43223	58009	52433	51086	48085	46138	37455	53049	47779	42812	49747	51952	50767	55011	47470	40747	43089	48141	39530	28184	47336	39261	35734	24249	30020	24588	45019	36986	28863	33149	42151	29787	27850	21919	29983	39138	25409	20105	26438	67485	25619	32001	18356
Palmitoleic acid	11836	12663	26487	6624	30586	7960	36465	11358	42244	36645	30696	9578	3897	6802	10864	6794	11450	11762	12470	12528	5744	12550	12021	12543	7177	5679	8191	6513	6523	11602	10944	11033	7681	6049	6872	6474	6502	5968	9283	10352	9269	8200	5405	7925	5555	5558	5613	5780	12407	6221	12517	16733	6497	11749	11537	7902	12014	6940	9240	14794	15910	16908	20084	19288	18284	20031	7304	26251	17793	18235	18837	22347	13436	6997	13837	8168	13985	8037	7728	7443	8903	11971	9016	13408	13518	19481	14053	13535	15189	14075	13476	16592	14682	13517	12424	14033	17286	28582	18316	251432	28793	23202	252049	20959	290203	24338	23957	21725	27002	22846	23915	22644	22702	22734	25640	21620	20819	21959	19937	21219	10279	18857	22946	33582	25770	36619	39264	30841	27418	23948	12979	46486	28015	30129	34996	36810	37657	41262	28691	27720	9851	34039	27463	26911	7557	5062	7785	8228	9665	9841	7555	7405	7787	7889	7422	7578	7748	7578	8344	6221	12149	7479	9722	7644	86679	7421	16905	9110
10Z-Heptadecenoic acid	1382	1225	2630	1500	2182	2157	4768	1395	3752	3154	5029	1163	996	893	594	743	850	839	1142	698	740	799	659	1105	1053	574	905	911	1182	1038	1049	758	1352	800	1135	875	598	593	914	1369	879	916	532	921	554	701	787	753	1441	1867	2406	1445	2139	1747	1832	1913	1665	2230	1776	1355	1004	1442	1936	2712	1934	1855	1447	1595	1877	1981	1953	1923	1884	1228	1388	1760	2012	1371	1780	1535	1727	1478	1422	1651	2045	1593	1840	1765	1667	2019	1404	1297	1432	1341	1473	1893	5922	7506	6828	20035	4049	2896	20420	6343	23516	2933	2781	2510	1821	2109	2214	2514	2297	2275	2417	2043	2368	2372	1628	629	2340	2720	2715	3629	2647	3696	3662	5384	5273	2371	3156	5923	3774	2490	2189	2481	2573	3397	3128	2808	2172	2555	2855	2447	1114	1158	2042	877	1296	1092	704	864	1464	1498	1439	1004	963	847	986	1163	1081	943	876	1449	15743	1376	521	764
alpha-Linolenic acid	152	267	241	36	248		76	131	52	144	56	56		55	46		92	99	91	51	68	239	146	63	42	41	46	52		41			42	48	80	98	88		44	37	44	69	86	38	260	58	161		731	47		1089	101		177	45		225	106	1374	1453	1476	1302	1628	1423	1813	44	2470	1312	1232	1138	1397	865		1051	51	825	114	63		190	758	90	58	1359	961	1182	1117	915	1180	1114	900	1050	883	1061	973	302	204	107	446	130	266	357	232	363	116	212	235	271	345	319	389	329	252	185	316	286	320	369	263	11818	9142	2708	4906	2393	4576	5343	14683	13905	2649	9208	15018	3660	3427	3203	2990	3057	2901	3178	2962	2924	3219	2837	3108		44	104	37		58	149	36	105	58		41	121	107	195	146	206	118	97	94	534	138	142	55
gamma-Linolenic acid				47		57				50			95					39						46			44								37					40						39			52									47	55		53	154	62	130	42	96	50	365	117		41	139	57	48	48						66	40	58			47	45	58	48	165		104				94			35	209	124	82	288		356	108	34		65	36				51	40	63	32	28			5858	4819	675	1971	727	1673	2069	9441	9339	583	8429	10653	728	421	575	479	852	656	585	565	363	553	639	665				67																	1359			
Linoleic acid	11961	11024	10886	8153	8373	8435	8960	9196	8270	7393	8438	9164	6908	7767	6763	8196	7406	9254	8606	7548	7352	9871	9795	8832	7095	7706	7626	7347	6572	7607	6560	5909	7188	6315	6890	7489	7872	7807	7606	6896	8019	7126	6966	6923	7772	7074	7235	7641	9326	8218	7272	8595	7634	9149	8146	7697	7323	8892	7387	10339	9939	9724	16078	15668	14437	15618	12326	15512	13734	13230	15102	14443	16751	10228	40341	13327	16273	11284	11357	11337	22212	32408	10676	11166	17096	16780	18664	17093	17853	18254	16248	15980	18117	15297	16327	16476	77080	76259	80363	411514	76602	75906	415074	78318	443105	69648	75235	70809	73619	73177	72658	68803	73088	65998	73694	71180	70137	67752	66676	64734	350889	278656	61534	123692	61684	120771	128591	508762	501547	66919	407118	527120	76375	72838	76138	72664	72566	70839	74971	76366	77495	75412	74782	82309	10178	9936	10749	12596	10249	9361	10216	8756	9752	9329	10045	9958	10132	9550	10142	9314	10557	10147	10946	10444	54258	10438	9509	9838
Oleic acid	101110	97073	115058	98846	106420	92874	166086	97663	178487	112312	187339	104770	98402	99140	100122	103687	101452	98608	100209	100417	105177	115962	110989	112805	107180	117571	109791	113737	113980	118215	116568	111785	105041	106005	107591	109145	101888	99179	107028	102282	104449	96734	104054	104314	102078	101391	103197	110039	99312	97629	125212	104022	102076	111218	111664	116044	108737	106337	105519	103564	87244	108935	118491	111085	106583	115295	107150	102339	104631	106378	110437	105005	108707	107554	149045	114312	118050	111981	118188	107831	141035	111782	101764	109935	111373	108479	109855	108885	101717	116461	104119	102628	107408	103789	108128	102839	245533	169114	246011	739998	179279	327002	783704	249889	851059	168005	292209	256188	268073	276983	276418	290008	283592	276368	290557	292495	284890	285336	276647	278120	574046	492786	236138	347851	234502	346185	339177	898511	850291	246330	691450	807880	242680	224947	234508	213467	226278	234398	230938	229036	247886	221651	246979	222812	101077	97761	112057	115463	114571	111829	109077	99256	106235	110870	113028	108032	103277	102232	99981	99165	100022	111611	97376	104656	201271	102874	103092	105130
Nonadeca-10Z-enoic acid	11469	5952	6488	3967	6619	14190	17886	12228	26620	7479	23189	6770	1563	7912	10022	11218	2958	6437	10602	5909	5286	15293	5122	5424	4532	13265	5542	9063	6715	5671	11119	12709		6740	11701	7937	5557		5970	5757	10592	5376	7930	9900	6976	10806	8419	11661	6669	7649	17720	3971	12921	7879	13703	17941	6836	16311	9148	9058	7210	12733	9185	9874	11306	11887	8634	10876		12371	10058	8331	7030	8347	11363	12178	14224	6479	3153	7909	9435	7819	9504	11135	2962	9369	13147	13556	6574	11871		5629	6482	7946	12943	11669	24420	37096	22329	39986	14675	23448	51172	21544	48854	15477	18567	7270	9481	20593	12557	14847	18804	12449	7705	15852	4422	10160	9921	16461	49610	47257	12591	18340	16095	20961	32134	111622	104909	17937	67679	89234	9571	15830	20687	10637	16027	10779	17240	20316	16436	20379	17021	17480	3186	8641	11954	9490	15903	3487	7235		17002	16623	11935	8629	12205	9373	5123	9376	11091	5693	11471		33910		10281	7368
Eicosenoic acid	40527	24320	23376	25910	23693	23201	65080	28285	47022	13062	50676	28429	11976	11297	19089	11334	20805	11451	7960	7726	20358	28912	28031	18681	11688	22559	16335	15153	14816	27556	17758	24858	31481	28596	15521	14639	24760	15781	29046	23561	21119	22095	22516	29240	14779	25448	23011	25485	20084	7102	19477	17096	22597	15423	13400	13661	16187	14724	23271	16412	11784	20403	24272	22336	27212	18153	21866	13873	17631	21831	22986	15496	18689	28993	16817	25889	43494	22617	36596	28811	29141	24929	19108	21026	19079	18635	20456	23967	17170	23895	19820	27319	21010	23508	23402	12341	79005	87241	65282	177191	99713	99557	185211	83161	223196	58950	64372	53367	55039	92922	74837	63174	62768	43197	59690	85993	77972	78489	54750	47575	135280	101768	41055	82236	60848	46910	54415	304059	354280	44294	132111	248141	57653	43202	41865	32726	57958	62759	42236	61340	43911	68235	58810	29416	7945	14928	22051	26372	28839	27613	19824	21808	29517	27148	38179	11939	17671	19769	28106	16871	23702	25207	18409	18163	139846	21109	22644	23517
Palmitoyl-EA	81519	80322	115525	86229	116807	94775	113199	92964	125674	113389	120421	80799	89639	80907	68751	86253	66354	78557	71161	73544	59989	91491	74364	84059	74683	70317	68095	73752	77115	58734	74435	77621	60581	67744	71296	65245	67388	66662	64715	50776	49898	49368	54769	57519	49525	60753	61777	64796	46219	59515	69545	62437	59706	73993	77837	80484	71126	65877	79686	70639	55832	64882	63797	63655	68356	57016	61845	76991	63969	62442	73252	42919	75891	72547	74692	66410	69437	62416	74088	72419	75907	82380	78927	80129	67157	67366	68872	62038	68422	74141	82211	62343	56862	69892	68944	76845	69224	88527	78525	97615	98649	81757	111514	70433	99927	81576	68737	69885	70165	71715	67458	65578	78981	68313	71634	75810	73710	74646	70427	73216	65924	67055	78836	71588	70347	72921	70472	75028	64290	68166	78750	78506	71280	72665	73003	66963	65562	62033	70234	74052	62437	70336	66846	72591	61233	56401	61352	42984	69368	53216	69187	57137	60842	76885	55954	88867	42253	53347	62645	59315	59524	61406	57245	68184	75128	77277	71853	66288
12,13-DiHOME	9147	9848	8715	9506	7842	9480	8963	9656	8686	8474	9033	9109	9967	9749	9847	9685	9510	9809	10193	9962	9921	9421	9480	10007	7112	6957	6579	6270	6594	8012	7100	6805	6500	7016	6646	6453	6311	6518	6574	6558	6324	7093	6043	6443	6510	6921	6617	6674	39907	39458	33636	37874	38601	28929	27503	33354	26860	38280	33457	39920	41681	43065	42289	41226	42399	42815	4748	63917	41623	42210	42834	43977	17669	16095	19939	15326	18576	17701	17502	16520	20172	20437	15017	19596	17571	18297	18551	17697	17936	17137	17996	20013	19074	20241	18372	19566	12018	15799	12015	26026	15986	13025	25125	12157	27067	15208	12862	11397	11763	11878	13973	11953	11686	11318	12196	12235	12114	11719	11533	12354	76210	66885	46366	53850	43805	55961	58423	114314	110153	41733	81342	115182	50003	51125	51067	50027	50878	49170	49446	50515	49419	51628	47817	52523	7683	7885	7358	7217	7004	6667	7563	7735	7929	6813	7654	6949	6573	6909	6853	6753	6757	6427	6427	7319	6855	6749	7113	6626
13-HODE	5215	5298	4316	5071	4640	4974	5093	5971	5085	4170	4469	4490	4042	3999	3656	4397	3860	4886	4216	3556	3610	4545	4301	3937	5814	3272	3604	5419	3529	3759	3721	3616	3962	3689	3515	4069	3331	3742	3919	3298	3266	3215	4087	3268	3685	3788	4103	2845	4353	4196	3601	3808	4962	4908	3672	4276	4055	9878	4076	4575	4395	4204	4942	5508	4352	4802	3075	5388	4323	4353	4012	4490	6081	4562	13208	5511	5629	5642	5112	4536	9077	13590	5105	8381	7176	5798	6284	5628	6022	6544	6958	6016	6366	6069	7293	6266	6455	11453	6377	15419	9466	6368	16510	6729	16568	8636	5750	5704	5588	6642	6559	5451	5646	5508	5579	5762	5948	5503	5884	5786	27903	23865	15132	21869	15063	20298	22583	37637	35243	14543	29784	37131	16675	17065	16396	16804	16943	16539	16710	16807	16391	16631	16440	15491	3458	3375	3270	4216	3440	3195	5917	5905	4626	3418	5743	3824	4075	3956	3894	3802	3845	3882	3429	3552	9156	3388	3767	4036
Oxypurinol	228539	247229	299474	246172	289299	243126	349971	236879	365403	295533	347393	224944	228096	255264	249949	243965	242908	246974	254588	240847	243856	238525	243745	240551	123098	124332	132227	106694	115357	121977	114293	113930	112170	112319	119209	109720	103775	108682	103100	102120	108655	118100	97168	110898	108605	104692	108791	110034	255723	264291	287805	251445	253112	292628	293275	286379	286567	265624	282625	258840	256064	261560	263674	257713	267134	262187	1111	427854	260196	256404	260240	263810	393171	385997	367460	378354	360837	380382	376079	387163	361509	363655	356891	366541	382062	366698	372451	357124	370226	331062	360636	358027	413100	394965	389682	390517	280866	304764	260098	331872	300574	286056	311966	275412	324368	289953	275264	256267	266431	275138	287217	263716	261311	270836	257737	269396	279121	259230	275015	282729	170529	184559	192853	191200	206008	195919	188802	170601	152133	203447	174863	164423	242250	245838	249171	241239	249483	234004	242344	248363	231346	243251	249826	218053	113223	128314	121288	127919	115996	116638	113055	121632	118237	108340	113261	104973	104577	106473	101133	104171	95441	111955	105369	117201	112531	111459	110442	124122
Ribothymidine	831650	892476	456461	839693	466316	888225	434854	862122	427747	450818	439973	846331	877782	918543	915738	898582	895020	880882	896552	870815	923120	909482	909785	918594	21190	10564	2912	41157	20360	2509	26807	1569	35220	2520	7018	25360	72633	67285	71282	73100	67580	59491	68711	63567	64952	57467	60303	52586	397150	407442	183295	436817	409313	302460	283135	150416	279574	387121	157138	408368	384787	371186	385334	394952	385855	386492	429	253873	427830	422098	408015	403896	20301	4574	20284	3966	30200	19501	14877	2480	2965	17055	3076	3712	43776	58755	46784	63526	42310	56078	50036	48325	34392	41597	41138	34360	383416	139850	366227	94912	143769	415490	93511	344250	91459	139515	385256	365126	361546	380157	396035	387915	381192	394467	381997	381891	360352	409898	375992	374588	2734	5377	4007	8881	4898	4959	5496	3314	7022	7809	3811	6167	12121	8723	12566	8321	14126	9420	9073	12804	10126	8275	10435	8236	2220	5385	19152	5113	39257	1806	29392	3886	2140	25182	22821	33563	62612	60781	78718	82029	80187	60676	63081	53600	51431	53309	63352	49976
N-Acetylalanine	16051	16113	11358	16115	11564	15277	14106	16909	14723	11462	14700	15043	16675	16174	16178	15443	14761	15599	16207	15778	14478	13450	15122	14628	343	327	332	478	406	47	482	413	390	306	269	368	449	434	689	545	808	314	1062	931	427	525	939	421	13999	15622	13643	15760	16227	14974	12677	14112	15271	15130	17271	15249	16106	14909	15241	15459	16567	14213	602	10589	14863	14851	13158	12553	4863	2550	2949	2964	5240	6151	2138	2011	2890	2298	2795	2609	5012	5566	6841	5672	6639	5725	6423	6985	7183	6814	5940	6010	10184	9552	9232	15140	9442	8940	15303	8594	14367	9798	9506	9962	9444	10293	9781	10638	10548	9673	10321	10368	9000	10655	9153	9958	278	1213	4311	2315	1844	1187	1730	870	1682	1892	629	1679	3275	3050	3486	4355	5054	3491	1911	6641	3979	3786	2911	2258	629	560	482	608	631	458	251	427	361	98	412	526	674	532	930	472	427	464	962	1001	553	565	494	1437
2-Aminocaprylic acid		4513					4916					2817							3693						16645	13249	16298	7828	16861		12474		10664		33974	17002	4306	11949	9836	7336	15202	11573	15050	10507	13530	15372	3484	18977	222964	200284	204513	200469	180454	212151	214147	255396	201374	183949	174309	202159	158753	172093	214933	159351	183203	221183		240354	186260	194303	165040	183320	114107	22600	131580	100065	139521	109967	111918	20676	123792	89953	167467	47969	109943	102822	104660	117276	98080	115932	88106	105461	126145	103932	98476	96385						1491						3245														2971											3024												7181	24990	7033	20912	5106	12582	13753	22040		15963	7300	17143	2514	13658	5351	11528	4331	13937	5415	15765	13786	2222	5773	15689
N-Formylmethionine	20145	19281	22624	19383	22283	17819	51634	20283	52473	22763	52820	19832	20333	20129	19334	18534	18916	20384	20998	19950	18672	19690	19792	20044	3357	3094	4234	2399	3366	1727	3069	6858	2604	785	3669	2928	2058	2327	1945	2250	2028	1929	1866	1926	1843	1684	1917	2038	19750	19865	22289	18691	19740	18343	22377	21682	20031	20436	20836	20880	16882	17129	17057	18304	18297	15963	595	11844	19652	19431	18801	17676	8874	18798	9321	23429	9471	10208	9936	17613	14967	10402	13260	28909	10119	8842	10282	9901	8640	8540	8411	8755	8340	8732	8796	9440	14532	23830	14128	58134	26805	14421	60964	14512	53280	24275	14648	13435	14306	14653	14356	13783	13717	15003	14673	14868	14767	14111	15143	15386	12481	13895	8055	9432	7198	8372	8698	13485	11823	7305	12871	3600	6007	5271	5710	6420	5841	6721	5648	5579	5552	4516	6880	5576	5468	4030	3257	4149	2528	2609	2201	4201	5538	3103	3093	2539	1975	1635	1988	1605	2098	1793	1769	1598	1504	1917	1670	1531
Cinnamoylglycine	1527	1954	1823	1788	1587	1766	1792	1844	1942	1821	1734	1863	1776	1462	1780	1390	2005	2184	1910	1683	1483	1942	1984	1847	580	528	467	500	570	578	498	542	667	623	562	609	500	530	556	508	505	446	486	568	538	596	479	573	926	967	1053	1172	962	752	1108	877	656	678	943	1062	932	1139	1114	907	1006	1108	127	815	984	1177	1020	999	3517	4529	3896	4057	3810	4039	4319	4415	3868	3928	3556	4324	4150	4789	4583	4319	4458	4377	4604	3962	5012	4090	5102	4273	1937	2193	2093	2019	2100	2236	2019	2052	1980	1816	2168	1819	1624	1721	1807	1747	1741	1831	1768	1684	1706	1664	1534	1808	1917	1565	1675	1929	1866	1993	2076	2120	1923	1945	2192	2300	2225	2364	2208	2470	2084	2360	2147	2284	2496	2495	2443	2706	680	537	728	686	521	487	564	528	559	569	627	529	630	476	564	638	477	618	570	648	515	544	534	611
N-Acetyltyrosine	56389	56317	66916	54634	57906	51892	140758	54361	147421	57525	158102	55094	53227	53016	51924	48868	50974	52083	53346	50524	49996	52285	52680	51245	4913	5428	5504	4694	5174	4080	4747	6978	4851	1449	5866	4686	4773	4301	4041	4085	4827	4173	4590	3952	4376	4336	4635	4037	29676	31544	84944	30906	32324	36419	42170	72860	40822	34871	69229	29976	26123	28518	27824	29221	28071	27743		18408	28578	29310	29659	29720	15698	13676	14084	15202	14046	13672	13703	14178	15373	14660	14350	14252	15302	14439	16320	14680	14666	15625	15604	15571	15700	15916	14181	15534	32997	66404	33035	204036	71996	31161	247127	34546	203492	70187	32282	32514	28119	28091	28301	27226	28376	30029	29136	29955	28631	27187	28750	29334	10886	11286	8254	8273	8588	7970	8126	9868	10447	8508	9619	4702	10276	10123	10343	9372	10264	9745	9780	9435	9233	10515	10507	9091	8097	4974	4842	4938	4285	4498	3913	4834	8799	4447	4041	4022	4135	4365	3871	4543	4579	4185	4084	3881	3643	4263	4940	4650
Indoleacetic acid	2573	3132	2975	2857	2869	2976	3406	3023	3529	3104	3117	2870	3039	3046	2889	2975	2847	2923	3031	2906	3035	2764	2819	2887	14677	18603	16550	7301	13126	7772	10705	8686	10008	6634	15172	10531	1024	1170	1155	1091	1091	1217	1132	1077	1226	1088	1041	1120	107019	105994	110262	111590	110708	115875	113973	111248	108938	111574	110014	111998	115401	117077	118903	118018	112806	113036	135	152217	114925	117487	115000	116376	85489	16738	80880	12149	80162	80295	75401	15325	10826	74713	11122	13820	84016	83733	84437	82615	83241	79568	82833	82004	86473	87063	85149	85858	1673	2025	1657	2564	2056	1629	2369	1688	2483	1922	1639	1575	1589	1716	1891	1721	1684	1922	1757	1638	1557	1615	1714	1874	11978	14963	10845	12341	7530	16032	15511	12812	10768	9215	11456	10899	1329	986	1059	1337	1069	1215	850	1323	1068	1348	973	1251	8042	13447	14052	17862	7947	7301	8911	17664	9267	10927	13234	8063	1207	1138	1093	1155	1029	1129	1108	1090	1204	1258	1244	1303
Hydrocinnamic acid	2952	3149	3168	2908	2931	3229	3202	3118	2992	3165	3073	3027	3091	3319	3370	3285	3147	3222	3350	3042	3343	3266	3511	3233	3431	3447	3380	3066	3203	3376	3273	3231	3257	3132	3112	3173	3811	4081	3586	3958	3812	4178	3606	4098	4070	4029	3886	3946	177584	173464	171257	173815	169461	178338	180393	173271	179084	171246	171370	170564	182022	185726	186035	186046	186338	181136	530	266742	183016	191504	194199	187450	123830	118680	122544	112259	115761	121279	120444	118425	113873	116469	114072	119745	137561	133248	131812	133783	133211	125261	134196	136066	144883	144645	140576	145109	1228	935	898	819	1150	1035	879	884	911	813	793	895	773	792	876	687	768	686	784	743	773	735	787	814	1988	1696	1812	1776	1785	1751	1883	1601	1726	1690	1912	2042	1500	1407	1532	1527	1560	1449	1526	1532	1643	1707	1499	1588	3358	3363	3442	3532	3516	3110	3395	3240	3287	2951	3149	3128	3328	3193	3272	3307	3194	3413	3429	3610	3532	3751	3484	3761
Phenyllactic acid	779323	856086	915646	815613	875087	858266	1141265	823557	1144244	928698	1085593	794994	853060	880362	860034	864048	864318	872059	897875	849911	866075	847580	868928	842869	148705	158649	158111	132449	146964	181730	139839	177386	138638	188416	158354	132114	111973	121306	114033	112774	117608	124881	114041	123819	117831	117913	115967	119091	2037672	2028637	2402428	1987879	1975745	2133599	2136995	2402173	2095976	2003629	2313277	1995984	2074499	2158945	2170275	2140276	2175261	2155929	1288	3105438	2106955	2215505	2234963	2180226	1515791	1753816	1514513	1630373	1442716	1609736	1596827	1744948	1697020	1554500	1642567	1714921	1700771	1715671	1706791	1687519	1665453	1628456	1682296	1652824	1780504	1770096	1741323	1754594	1873607	1850998	1824736	1990702	1803243	1824019	1980390	1827208	2027119	1739789	1840726	1721361	1794162	1869898	2092648	1783634	1803498	1845925	1783473	1812848	1870506	1734162	1803699	1875352	364897	318991	141805	300607	145558	294877	322527	404585	395622	143213	395488	425950	121101	117885	119583	124135	123338	120030	122429	122808	124416	123617	122691	133201	242617	190916	154788	191978	141729	229199	134579	179860	228077	147002	144348	132667	117670	112873	114978	114983	109287	122215	119916	126279	124307	121633	120317	127677
9-cis-Retinoic acid	52686	33888	39545	39085	66735	35073	69725	66042	39515	35724	44412	34695	28230	29146	27496	29277	23711	27914	28835	27743	27621	23757	24614	28188	42572	50340	44927	22783	63869	51445	47932	58386	45396	74528	63759	24910	17951	17204	19808	18371	19494	18175	17932	16742	17562	33786	17247	18448	27271	33712	22426	17773	28296	35046	20736	31864	30881	24085	37890	32089	28878	28655	31436	29311	28613	28401	14611	35070	25487	24986	25551	26812	28987	40278	27826	43684	22573	34190	27062	35993	40984	25511	39425	33924	12721	12028	12360	15421	12847	14285	13977	11573	13266	12209	12320	12015	25078	27629	29555	77444	32005	30835	33710	40907	27353	39333	23671	23957	21162	22578	21125	21233	22824	21705	22266	22723	21087	21159	21429	23052	58071	33248	25553	32993	24733	37863	32310	57569	43955	28454	43137	49473	18266	19328	18614	18896	19300	19791	19682	18912	20315	17963	19421	19613	56126	68004	59021	48321	16807	78162	20465	48055	59875	38497	31628	23404	12769	13173	12561	12617	12140	11912	12320	11916	12383	12173	11557	12288
Hyodeoxycholic acid or Ursodeoxycholic acid	22889	26706	24497	26701	23060	25809	24256	26055	25475	25377	24178	25040	29150	28633	28810	27503	26817	29400	30813	28733	29176	28705	29036	28249	1345	1522	1515	13068	1293	9177	1758	9891	12824	9291	1539	12507	14063	14937	14048	13961	14554	15405	13760	15263	14882	14162	14989	14311																									1173	950	1182	1328	808	166	183	843	1249	166	1420	691													137	99	55	141	149	47	43	100	45	103	187	75			172		91	89	47		146	30		80	995	663	1109	244	1171	354	636	1356	1280	1311	1180	1177	91	53	214	103	48		119	106		110	63	106	11553	2527	1523	2182	14009	10401	14531	1949	11464	1704	1571	13068	14483	14991	13872	14530	13534	13806	14444	16091	14671	14515	14340	14838
Chenodeoxycholic acid	7304	8392	8581	9175	8152	9126	8770	9631	8812	9531	8294	8917	10297	10221	10061	9857	10157	10548	10964	11091	10969	10504	10305	10393	35	34		352	70				2872	70		2828	4429	4673	4522	3896	4672	4885	754	4717	4713	4435	4716	4499		47													38								105					36									44	34				82	33	39	45	44			30				49	38		59			131		36			37		27	27	149	71	33		41		32	31						70	33			38		36	38		31	39	162	35		79	42	78				2713		2952			162		2646	4163	4196	4045	4121	3591	3515	4498	4549	4673	3993	4678	4731
Deoxycholic acid	1734	2027	2431	1768	1642	1618	1475	1590	1432	1263	1251	1182	1259	1304	1296	1535	1181	1321	1200	1496	1424	1508	1350	1551	373	291	470	69	281	63	668	351	613	260	200	747	592	602	635	645	536	611	39	448	705	547	434	467	852	565	596	560	785	764	744	683	690	771	721	785	751	809	1075	832	824	781	245	1256	690	817	743	642	3371	179	3331	2888	3114	43	64	159	3850	66	3118	559	3431	4125	3926	3812	3162	3496	3326	3236	3868	3945	3729	3849	228	72	80	106	42		153	126	88	230	165	172	96	124	89	119	102	225	138	126	150	38	172	122	64		166	189	135	213	137	122	236	198	90	205	244	255	54	205	76	128	225	128	37	120	149	345	97	103	146		135	166	356	128	118	82	31	331	632	414	438	432	176	418	393	248	508	366	394	433
7-Ketodeoxycholic acid	969	1116	1098	918	1268	1057	837	1005	1027	1031	955	841	937	948	1013	1194	1122	1141	1109	1111	1145	1249	1319	1322	4266	650	675	748	4267	1005	4124	781	778	1233	983	960	111	99	125	120	53	217	147	137	101	88	104	109	8896	9018	8584	9102	8483	9959	9825	9374	8936	8926	8654	8963	9137	9735	9841	9263	9826	9949		15699	8951	9442	9753	9708	48778	79854	50025	101094	51076	123403	106341	86218	105471	98669	96928	81180	34841	37549	35876	36157	35636	33463	35583	37399	40912	40091	38497	39711	98		57		99	105	159	90	59		56	114	110	193	51	128	49		104	91	47	84		129	839	880	3942	3399	3853	2961	2867	2934	2895	3697	1306	3301	162			50	215	55	49	180	52	214	124	176	727	388	3447	343	884	744	807		585	3080	2917	743	129	59	42		179	156	40	44	90	55	170	159
Cholic acid	14715	16991	16359	15780	15127	15466	15390	15930	14950	15563	13154	14241	16626	16149	16144	16928	15702	15788	16761	16117	16247	15075	16567	15202				3341	34		253		3038			2810	4059	4308	4154	4190	4009	4614	4158	4507	4771	4429	4183	4372	23365	22842	22474	23133	22476	23560	24040	23054	23090	23051	22420	23331	25356	26069	24963	24576	24605	23909		38865	24037	24107	25140	24446	86592		84409	218	76227	9470	25891	106	193	29632	160	132	108486	109575	115036	108507	110016	106960	109877	111173	119344	116376	117521	118955	3503	3399	3344	3062	3639	3766	3403	3308	2993	3199	3442	3280	3266	3271	4147	3206	3202	3409	3449	3397	3539	3365	3292	3773					95					90			3699	3816	3603	3781	3686	3952	4022	3818	3722	3873	3746	4230					3333		3263			109		3273	4317	3826	4111	4095	3609	4210	4506	4466	4497	4449	4602	4835
Glycoursodeoxycholic acid	26024	30833	29091	29591	28118	30347	29133	30485	28584	30388	27044	27349	32984	32252	33885	31976	32103	32823	34172	32440	33280	31737	32160	31571	374166	332685	351162	337655	345296	330337	337028	336999	336061	345955	332433	338898	348783	360702	347902	348018	354269	368433	353874	358220	354053	353580	362182	368773																									60128	50679	54160	50465	52302	51879	57045	56431	49913	49604	48525	49787													31347	31001	33248	29085	31029	32874	29815	30823	31241	30195	34088	29700	31956	31298	38257	30842	31900	31431	31415	31028	33084	30913	31826	32140	75270	58333	85189	72121	78817	78395	84902	71887	75391	82798	80410	73983	34204	36330	36343	35596	34135	35468	35101	35826	35636	37667	35254	39060	361809	339173	355052	362014	358688	334811	372617	338426	343946	340110	346515	348397	362982	358504	343675	359745	333702	361311	349713	373652	364555	361260	342225	373657
Glycochenodeoxycholic acid	11112	13136	13435	13150	11894	13431	12635	12757	12778	12750	11491	11778	13962	13267	13806	13974	13623	13610	13975	13816	13544	12655	12813	13214	472			77192	3637	425	7119	559	70818	286		75415	96870	105554	103961	100065	99444	106903	102422	104025	103288	102344	102692	106432	1304	1144	1092	878	1232	1294	1072	887	1111	1198	1027	951	1308	1287	1095	1014	1257	1276		2082	1120	1160	1250	1133	2672		2398		2327	99	379			803			1338	1584	1842	1482	1355	1192	1561	1399	1931	1192	1814	1480	8326	8650	8191	7961	8368	8039	7899	8216	7819	8002	8458	7027	8060	8445	9958	7929	7151	7750	8364	8088	8495	7524	7813	8510		105	1547	60	2331			308	544	1749	150	521	9395	10114	10190	10350	10326	9717	10713	10477	10232	10882	10173	11193	1499		5406		83513	726	88863		305	9933	2758	85293	103747	105247	98477	103603	94354	101595	101065	114617	111805	106010	100784	108432
Glycodeoxycholic acid	1589	2799	2124	2133	1952	2880	1860	2174	2363	2091	1830	2063	2521	2184	2276	2020	2413	2532	2620	1889	2344	2392	1852	2086	220	74	184	485	206	123	178	204	159	159	121	252	299	285	324	109	248	283	212	263	484	397	362	198	12845	13385	13747	13646	13303	13996	14531	12653	14490	14146	13292	13541	15039	15786	15317	15347	15215	14378		23018	14651	14575	14023	14883	9180	8706	8915	7518	8324	8830	8547	8120	8277	8038	7429	7652	9040	10242	10071	10058	9571	8864	9682	9247	10438	10017	10101	10153	154	118		56	143	200	56	287	251	111	98	80	269		127	60	78	171	67	137	51	138	208	208	127	56	190	55	204		141	139	128	147	116	51	188	212	158	208	75	136	140	156	67	123	241	127	68	220	195	270	267	55	160	141	201	156	176	376	431	272	338	503	118	265	238	267	352	397	283	449
Glycocholic acid	11755	13572	13412	13146	12804	12615	12493	13357	12203	13019	12262	12394	14019	13804	14310	14037	13586	14181	14753	14485	13824	13395	14020	13201	64			3286	235		698		3475			3329	4152	4818	4250	4493	4788	4623	4273	4504	4779	4452	4607	5028	87323	85735	84669	85793	83051	90219	88413	86635	86044	85908	81835	85604	88377	91948	94730	92696	93832	94597		144355	90456	95935	93082	95877	328571	960	315134	2095	286603	65576	144470	5020	1762	155593	1169	8393	394364	382326	387703	378492	397048	359883	380847	384102	417823	422099	405314	422596	6210	5389	5876	4920	5554	5914	5043	5664	5300	5623	5775	5058	5232	5426	7054	5257	4937	5395	5015	4974	5804	5189	5666	5972			237		1126					493		55	5943	5925	5907	6032	5677	6169	5728	6134	6610	6316	5823	6773			246		4278		3898			870	185	3697	4558	5118	4112	4459	4305	4933	4796	4717	4635	4434	4434	4442
Taurohyodeoxycholic acid or Tauroursodeoxycholic acid	1322013	1493143	1450541	1386227	1398149	1492974	1413071	1433174	1389727	1431939	1335533	1297948	1584400	1544548	1452493	1505907	1476986	1502203	1647746	1530775	1522819	1404447	1477977	1468113	3917736	3721658	3673945	3667157	3765516	3604815	3641686	3643812	3719609	3658080	3587242	3697304	3716582	3855202	3697618	3730629	3796029	3990855	3745769	3846927	3866087	3782700	3691414	3898200					1242	1551												2106		1273			1994	1473	713377	588345	641419	572498	583212	616973	704849	681081	580208	624040	547222	627929													159666	169325	152987	146310	162067	164827	158921	161436	160527	152750	176975	167243	164108	169968	196588	163395	166665	172095	160734	186100	185421	162830	170607	177096	724876	571018	814628	717944	757635	777604	860466	692901	710085	784112	800511	664546	175017	173507	182387	199243	179346	186538	199644	178112	176119	194158	194115	198238	3878496	3801035	3806322	4087104	3920822	3776150	4026210	3690400	3778051	3748823	3779876	3739768	3752503	3769807	3691716	3836663	3501632	3804882	3874123	4152476	4138277	4009759	3934335	4185056
Taurochenodeoxycholic acid	544629	620665	631135	594912	592515	640730	597660	612399	633229	623502	590828	593206	673066	693114	680171	660681	646317	680112	715827	682100	683938	609813	652320	630243	16269	1730		1290726	108182	6231	202414	8051	1139880	2639		1208114	1483296	1559478	1587937	1496101	1591645	1617691	1554108	1545141	1504844	1548018	1521459	1617271	35526	34797	31000	35477	38838	36228	30234	32993	33371	33657	35731	33523	32537	31452	33968	38134	40268	36500		60352	31503	34398	31293	30461	67351		82282		56482	4625	24752			28383			67191	65126	56681	55454	63281	53673	57764	51995	65787	64438	59447	53617	49415	56957	49042	49077	55654	52625	48669	54661	54300	53091	52859	50823	46540	55870	64926	49983	43861	54324	55018	52863	51232	56375	57409	61647	1277	1146	21515	1356	28354			9019	7112	18149	3722	9377	60906	52880	58433	67338	60224	64739	67948	64007	61198	60774	66079	66590	20979		152517		1312288	11474	1347416		2605	247605	70132	1321785	1641259	1683351	1654321	1633204	1439892	1582542	1567443	1721758	1665055	1590040	1497239	1612223
Taurodeoxycholic acid	24506	38214	42371	27420	28003	31536	29747	38059	34355	32072	29448	33105	36980	33822	36042	34549	28459	33628	34942	39074	30158	27387	30954	30334	1420	1138	5100	4671	1136	3911	2496	2803	3399		1731	3953		8910	1173		7094	2759	2917	3136	8569	4674		2370	149140	149877	124598	137631	142025	162895	147331	125691	141471	131475	134363	155763	156378	173639	159259	170368	158403	152111		275821	153624	148079	163035	157030	351901	306953	342588	219267	298014	321444	333065	293286	224948	332202	222153	290639	369461	346108	365221	344174	337769	329573	333551	356274	372880	372531	349386	342482	2338	2362	2804		6040		2705	1303		1771	2926	4178	1258	2412	3317			2679		2765		1393		2110			1256	1652	4562		1842		3642	3277	1472	1666	2534	2741	6295	1607	1558	1762	5687	6963	2735	1845		1479	1174	2293	1371		6604		2657	4845	1337	3739	1249	5040		1667	1603	6593	1221		1397	2790			3002	
Taurocholic acid	193675	222369	225819	218955	201476	226460	218302	208059	215327	228829	215046	196484	232780	229649	243665	234992	246373	219059	230584	227700	237930	224745	222762	232283	1296			46940	4431		11000		34862			38237	51818	55507	48271	44542	57214	50524	48068	51956	54954	50924	41362	49119	1119890	1120702	1066197	1112326	1088263	1143724	1150771	1056041	1134993	1080230	1029252	1064021	1128109	1193190	1222135	1151301	1178874	1132003		1876786	1157176	1228904	1221192	1170199	7338282	55484	7396548	69182	6547682	2285146	3905460	372345	72440	4338426	28329	468494	8656509	8586665	8811510	8793883	8903202	8359068	8888502	8506581	9584306	9963926	9540899	9235055	66897	67296	61877	61854	73955	66444	65750	71782	64813	59801	80565	66342	61883	56393	72124	57261	59666	57591	59398	57985	58653	54922	55311	61291			11838		21813					18030	1322		64826	68213	71863	76343	76023	77485	78644	71112	80751	87416	65957	84576		1349	8621		39659		41786	1221		7151	1813	37545	47299	46314	40106	41681	41697	48498	43437	46317	55210	46411	47687	50815
11-Methyllauric acid	256676	263679	294226	341666	337738	391321	455612	394786	484628	355644	505264	275556	283048	276669	259980	271522	282357	295432	241053	287674	276574	305341	296087	287373	306043	286331	343073	367799	297840	292939	284055	276960	363860	332420	280206	298875	297940	264878	269127	297126	289298	309984	276208	257007	271989	226606	268843	263884	232396	346720	981391	230044	368070	407755	466596	568338	443356	326947	500052	252114	234316	229533	287207	257750	240967	262639	234962	242580	236841	220425	224936	221720	267014	221568	296903	397158	237521	225161	268140	230697	340482	437088	377892	230537	222535	280698	227981	245894	237363	284586	236174	229831	248892	226927	228924	250261	389761	730711	420948	4847494	709452	241342	4872583	451775	5246870	671181	249335	248677	242381	254177	372310	239851	331510	236031	228606	214315	212638	219677	222825	241758	234098	217993	234346	667454	285015	600207	703634	464881	391953	291454	249095	466563	246433	251640	241369	230828	251210	235176	236130	230219	237084	217534	248382	288950	276214	346964	245519	322671	315908	350900	277418	462751	364638	233355	245054	267256	239555	236869	215133	226929	217910	249696	229580	219774	245017	253243	231049	229080
14-Pentadecenoic acid	1451	1160	669	1131	1196	699	1531	643	1266	1266	1300	770	1162	952	760	592	906	844	1055	202	819	1131	820	1078	1299	817	1158	1181	1293	192	1281	1155	1247	794	992	1151	402	766	853	467	849	926	571	719	630	728	464	1044	745	355	103	789	681	1149	1376	1314	1179	898	957	973	1050	1094	1025	1303	590	1420	1088	1101	1001	299	1286	1110	1255	1396	1394	1303	1237	1332	1033	1031	1151	1358	640	1451	1037	1192	1165	949	1206	1526	841	1007	583	1175	1253	1039	971	3891	1157	2134	1133	1102	2837	735	1702	1223	336	785	1009	867	62	851	938	1053	444	907	846	578	569	877	966	981	1151	1141	1158	1097	1130	1390	1226	1234	1045	939	1174	931	1011	937	832	815	1044	958	933	787	740	560	933	911	816	863	835	759	970	846	862	880	1043	1013	799	861	990	591	519	993	103	1068	3538	914	1255	647
(3R)-3-hydroxyheptadecanoic acid	97320	94218	121299	84141	105090	87264	93059	83183	121227	102288	129993	91949	84649	83574	70516	69175	72244	71677	72138	75910	79448	80726	71759	82709	57099	76724	57084	85779	70080	86193	79569	90014	77056	59647	70469	71821	65877	65547	69842	91065	50913	65671	70545	64045	55815	52203	74734	65098	70365	91926	99930	93331	89321	83270	85139	90705	87744	96123	92507	83654	66158	84296	81880	84645	75818	72750	57181	86124	86207	70242	71770	95451	64492	82220	82934	74104	88621	85417	85306	76797	103958	63173	70229	90867	84183	57883	90744	78019	93039	79840	83389	96612	97948	95129	88396	86698	88242	116296	85827	147548	125873	117548	148030	82788	165751	119769	72183	109861	77824	76108	74750	81441	71803	80190	83835	76533	70460	89083	86096	80512	83238	76545	61915	67473	74285	97900	87653	129148	95202	73555	99237	111355	96310	74775	69309	61601	89495	87750	80389	86051	75109	71310	68864	78703	107114	104317	77248	72860	73193	107380	72519	65707	88454	86447	84596	69269	87038	72904	83811	80040	66484	80927	73890	72919	123951	71471	64635	75667
3-Oxooctadecanoic acid	168530	197253	181335	191102	158034	143312	192747	168037	168135	149743	194522	185266	146579	181125	172687	205748	180761	150341	165994	170790	189891	182219	222448	151062	197327	186448	149240	166435	186416	221288	183294	175732	217263	208315	224500	189247	180004	204249	214554	211891	203286	208389	184503	189456	191896	182638	203209	206071	210885	173749	215307	192016	183111	130377	205419	227038	193251	182689	192191	197784	172189	199983	146704	169224	194137	186391	174727	180169	189351	151645	169087	200291	183095	202697	227504	177613	194610	179781	153795	162766	165327	181505	188665	179966	192999	172553	135752	184482	170321	174324	151770	141557	173142	188327	157985	109626	152670	203744	173255	148923	210335	163530	161774	183557	182686	209031	180053	166790	169373	174991	165894	176397	224957	196219	179356	199360	182410	167761	193917	162343	189691	194688	176422	214538	168424	160191	241894	221664	232925	219099	230492	185994	222895	173117	193606	205015	243335	209432	220409	198101	211901	237447	193410	222998	223027	149461	173552	207116	210505	228519	233206	177016	234850	194531	255699	174124	195632	179721	197426	213734	216730	214748	165637	193211	196941	221410	226928	203790
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	Study_Compound_ID	MZ	RT	HMDB_ID
15R-15-methyl PGA2 [iSTD]	TF01	347.22293000000002	9.9890000000000008	internal standard
15S-15-methyl PGE2 [iSTD]	TF02	365.23349000000002	8.6319999999999997	internal standard
15S-15-methyl PGE1 [iSTD]	TF03	367.24898999999999	8.7520000000000007	internal standard
Salicyluric acid	QI15360	194.04593389999999	1.4354166669999999	HMDB0000840
Mandelic acid	QI22974	151.0400669	2.9163666670000001	HMDB0000703
Salicylic acid	QI26124	137.0244209	4.4877000000000002	HMDB0001895
Gingerol	QI38511	293.17599330000002	9.6428999999999991	HMDB0033615
p-Hydroxyphenylacetic acid	QI19113	151.04004280000001	1.960366667	HMDB0000020
Hexose	QI05533	179.05615220000001	0.74766666699999995	HMDB0000122
P-Cresol glucuronide	QI21515	283.08240669999998	2.47845	HMDB0011686
(R)-3-hydroxy myristic acid	QI39464	243.19663	12.060700000000001	NA
3-Methyladipic acid	QI18467	159.0662447	1.839366667	HMDB0000555
Azelaic acid	QI29669	187.09756849999999	5.61015	HMDB0000784
Sebacic acid	QI34935	201.11327360000001	6.7633666669999997	HMDB0000792
Undecanedioic acid	QI37074	215.12886689999999	7.6193999999999997	HMDB0000888
Dodecanedioic acid	QI37814	229.14455899999999	8.369166667	HMDB0000623
Tetradecanedioic acid	QI38567	257.17603889999998	9.7304833330000005	HMDB0000872
Hexadecanedioic acid	QI39085	285.20727679999999	11.07648333	HMDB0000672
Eicosanedioic acid	TF09	341.26981000000001	13.688000000000001	HMDB0242141
Hydroxypropionic acid	QI10637	89.024432020000006	1.0347166670000001	HMDB0000700
Hydroxypyruvic acid	QI06114	103.00372539999999	0.77831666700000002	HMDB0001352
2-Hydroxyisobutyric acid	QI11717	103.04009310000001	1.0828833330000001	HMDB0000729
3-Hydroxyoctanoic acid	QI33871	159.10266590000001	6.4874833330000001	HMDB0001954
2-Hydroxyoctanoic acid	QI36310	159.10263040000001	7.2133000000000003	HMDB0002264
3-Hydroxydecanoic acid	QI38042	187.13400519999999	8.7271666670000005	HMDB0002203
Juniperic acid	QI39324	271.22803879999998	11.5686	HMDB0006294
2-Hydroxy palmitic acid	QI40022	271.22792379999999	14.100566669999999	HMDB0031057
2-Hydroxyoleic acid	TF10	297.24347	14.404999999999999	NA
2-Hydroxystearic acid	QI41362	299.25929239999999	16.364650000000001	HMDB0062549
Levulinic acid	QI12887	115.04006010000001	1.171766667	HMDB0000720
Caproic acid	QI35405	115.07644190000001	6.9035000000000002	HMDB0000535
Caprylic acid	QI38323	143.10775369999999	9.3347333330000009	HMDB0000482
Capric acid	QI39114	171.13912490000001	11.150933330000001	HMDB0000511
Lauric acid	QI39631	199.17042950000001	12.774483330000001	HMDB0000638
Tridecylic acid	QI39874	213.18609359999999	13.516349999999999	HMDB0000910
Myristic acid	QI40060	227.20176839999999	14.21153333	HMDB0000806
Pentadecylic acid	QI40353	241.21746379999999	14.86251667	HMDB0000826
Palmitic acid	QI40769	255.23306740000001	15.467966669999999	HMDB0000220
Margaric acid	QI41220	269.24866930000002	16.04655	HMDB0002259
Stearic acid	QI41525	283.2643099	16.589916670000001	HMDB0000827
Nonadecylic acid	TF04	297.27978999999999	17.169	HMDB0000772
Arachidic acid	QI42346	311.2957912	17.805683330000001	HMDB0002212
Myristoleic acid	QI39791	225.18611179999999	13.229900000000001	HMDB0002000
10-Pentadecenoic acid	TF05	239.20164	13.862	NA
Palmitoleic acid	QI40169	253.21738790000001	14.500616669999999	HMDB0003229
10Z-Heptadecenoic acid	QI40536	267.23301179999999	15.09881667	HMDB0060038
alpha-Linolenic acid	QI40034	277.217354	14.126849999999999	HMDB0001388
gamma-Linolenic acid	QI40069	277.21735419999999	14.2203	HMDB0003073
Linoleic acid	QI40395	279.2329474	14.91943333	HMDB0000673
Oleic acid	QI41053	281.24865119999998	15.6709	HMDB0000207
Nonadeca-10Z-enoic acid	TF06	295.26418999999999	16.206	HMDB0013622
Eicosenoic acid	TF07	309.27999999999997	16.707999999999998	HMDB0002231
Palmitoyl-EA	TF12	344.28075999999999	13.834	HMDB0002100
12,13-DiHOME	QI38872	313.23862320000001	10.432766669999999	HMDB0004705
13-HODE	QI39424	295.22795559999997	11.92933333	HMDB0004667
Oxypurinol	QI06459	151.02613930000001	0.80458333299999996	HMDB0000786
Ribothymidine	QI10693	257.07807029999998	1.0303500000000001	HMDB0000884
N-Acetylalanine	QI10979	130.0509778	1.052233333	HMDB0000766
2-Aminocaprylic acid	TF17	158.11850000000001	1.75	HMDB0000991
N-Formylmethionine	QI14646	176.03869990000001	1.3451500000000001	HMDB0001015
Cinnamoylglycine	QI27266	204.0665544	5.0355499999999997	HMDB0011621
N-Acetyltyrosine	QI14401	222.0772623	1.32325	HMDB0000866
Indoleacetic acid	QI30542	174.05601390000001	5.7867499999999996	HMDB0000197
Hydrocinnamic acid	QI35634	149.06075250000001	6.9839833330000003	HMDB0000764
Phenyllactic acid	QI24245	165.05564179999999	3.3953500000000001	HMDB0000779
9-cis-Retinoic acid	QI39816	299.20177089999999	13.310316670000001	HMDB0002369
Hyodeoxycholic acid or Ursodeoxycholic acid	QI38466	391.28575139999998	9.5799666670000008	HMDB0000733
Chenodeoxycholic acid	QI39037	391.28585709999999	10.93198333	HMDB0000518
Deoxycholic acid	QI39124	391.28572200000002	11.15968333	HMDB0000626
7-Ketodeoxycholic acid	QI38000	405.26472849999999	8.6570999999999998	HMDB0000391
Cholic acid	QI38357	407.28052709999997	9.3960500000000007	HMDB0000619
Glycoursodeoxycholic acid	QI37761	448.3072482	8.30185	HMDB0000708
Glycochenodeoxycholic acid	QI38390	448.30731209999999	9.4573499999999999	HMDB0000637
Glycodeoxycholic acid	QI38561	448.30694929999999	9.6954499999999992	HMDB0000631
Glycocholic acid	QI37751	464.30187439999997	8.2931000000000008	HMDB0000138
Taurohyodeoxycholic acid or Tauroursodeoxycholic acid	TF14	498.28949	7.54	HMDB0000874
Taurochenodeoxycholic acid	TF15	498.28985999999998	8.5609999999999999	HMDB0000951
Taurodeoxycholic acid	TF13	498.28951999999998	8.8019999999999996	HMDB0000896
Taurocholic acid	TF16	514.28467000000001	7.6340000000000003	HMDB0000036
11-Methyllauric acid	TF08	213.18610000000001	13.311999999999999	HMDB0304761
14-Pentadecenoic acid	QI39986	239.2016955	13.974983330000001	NA
(3R)-3-hydroxyheptadecanoic acid	TF18	285.24371000000002	14.268000000000001	NA
3-Oxooctadecanoic acid	TF11	297.24347	14.776	HMDB0010736
METABOLITES_END
#END