#METABOLOMICS WORKBENCH cnoecker_20230322_162922 DATATRACK_ID:3809 STUDY_ID:ST002517 ANALYSIS_ID:AN004145
VERSION                          	1
CREATED_ON                       	02-08-2024
#PROJECT
PR:PROJECT_TITLE                 	Systems biology illuminates the alternative metabolic niche of the human gut
PR:PROJECT_TITLE                 	bacterium Eggerthella lenta
PR:PROJECT_TYPE                  	Untargeted LC-MS
PR:PROJECT_SUMMARY               	Human gut bacteria perform diverse metabolic functions with consequences for
PR:PROJECT_SUMMARY               	host health. The prevalent and disease-linked Actinobacterium Eggerthella lenta
PR:PROJECT_SUMMARY               	performs several unusual chemical transformations, but it does not metabolize
PR:PROJECT_SUMMARY               	sugars and its core growth strategy remains unclear. To obtain a comprehensive
PR:PROJECT_SUMMARY               	view of the metabolic network of E. lenta, we generated several complementary
PR:PROJECT_SUMMARY               	resources: defined culture media, metabolomics profiles of strain isolates, and
PR:PROJECT_SUMMARY               	a curated genome-scale metabolic reconstruction. Stable isotope-resolved
PR:PROJECT_SUMMARY               	metabolomics revealed that E. lenta uses acetate as a key carbon source while
PR:PROJECT_SUMMARY               	catabolizing arginine to generate ATP, traits which could be recapitulated in
PR:PROJECT_SUMMARY               	silico by our updated metabolic model. We compared these in vitro findings with
PR:PROJECT_SUMMARY               	metabolite shifts observed in E. lenta-colonized gnotobiotic mice, identifying
PR:PROJECT_SUMMARY               	shared signatures across environments and highlighting catabolism of the host
PR:PROJECT_SUMMARY               	signaling metabolite agmatine as an alternative energy pathway. Together, our
PR:PROJECT_SUMMARY               	results elucidate a distinctive metabolic niche filled by E. lenta in the gut
PR:PROJECT_SUMMARY               	ecosystem.
PR:INSTITUTE                     	University of California, San Francisco
PR:DEPARTMENT                    	Microbiology and Immunology
PR:LABORATORY                    	Peter Turnbaugh
PR:LAST_NAME                     	Noecker
PR:FIRST_NAME                    	Cecilia
PR:ADDRESS                       	513 Parnassus Ave HSW1501, San Francisco, CA 94143
PR:EMAIL                         	cecilia.noecker@ucsf.edu
PR:PHONE                         	415-502-3264
PR:FUNDING_SOURCE                	This work was supported by the National Institutes of Health (2R01HL122593;
PR:FUNDING_SOURCE                	1R01AT011117; 1R01DK114034 to P.J.T., F32GM140808 to C.N.). P.J.T. is a Chan
PR:FUNDING_SOURCE                	Zuckerberg Biohub Investigator and held an Investigators in the Pathogenesis of
PR:FUNDING_SOURCE                	Infectious Disease Award from the Burroughs Wellcome Fund.
PR:PUBLICATIONS                  	https://doi.org/10.1101/2022.09.19.508335
PR:DOI                           	http://dx.doi.org/10.21228/M89B04
#STUDY
ST:STUDY_TITLE                   	Time course 2: Growth of Eggerthella lenta in defined media with some samples
ST:STUDY_TITLE                   	receiving 13C2 stable isotope labeled acetate (intracellular samples)
ST:STUDY_TYPE                    	Untargeted LC-MS
ST:STUDY_SUMMARY                 	This dataset contains untargeted metabolomics analysis of supernatants from 3
ST:STUDY_SUMMARY                 	strains of Eggerthella lenta grown in defined EDM1 media with varying acetate
ST:STUDY_SUMMARY                 	concentrations. One set of samples grew in EDM1 containing 13C2 stable isotope
ST:STUDY_SUMMARY                 	labeled acetate. Samples were collected at a subset of time points for
ST:STUDY_SUMMARY                 	extraction of intracellular metabolites.
ST:INSTITUTE                     	University of California, San Francisco
ST:LAST_NAME                     	Noecker
ST:FIRST_NAME                    	Cecilia
ST:ADDRESS                       	513 Parnassus Ave HSW1501, San Francisco, CA 94143
ST:EMAIL                         	cecilia.noecker@ucsf.edu
ST:PHONE                         	415-502-3264
ST:SUBMIT_DATE                   	2023-03-22
#SUBJECT
SU:SUBJECT_TYPE                  	Bacteria
SU:SUBJECT_SPECIES               	Eggerthella lenta
SU:TAXONOMY_ID                   	84112
SU:GENOTYPE_STRAIN               	DSM 2243, Valencia, AB8n2
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	1	2243_Ac0_1_TP4i	Strain:2243 | AcetateGroup:0 | TimePoint:TP3 | Time:23	F_ID=F1; RAW_FILE_NAME=Neg_2243_Ac0_1_TP4i.raw; RAW_FILE_NAME=Pos_2243_Ac0_1_TP4i.raw; RAW_FILE_NAME=Neg_2243_Ac0_1_TP4i.mzML; RAW_FILE_NAME=Pos_2243_Ac0_1_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	2	2243_Ac0_2_TP4i	Strain:2243 | AcetateGroup:0 | TimePoint:TP3 | Time:23	F_ID=F3; RAW_FILE_NAME=Neg_2243_Ac0_2_TP4i.raw; RAW_FILE_NAME=Pos_2243_Ac0_2_TP4i.raw; RAW_FILE_NAME=Neg_2243_Ac0_2_TP4i.mzML; RAW_FILE_NAME=Pos_2243_Ac0_2_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	3	2243_Ac0_3_TP4i	Strain:2243 | AcetateGroup:0 | TimePoint:TP3 | Time:23	F_ID=F5; RAW_FILE_NAME=Neg_2243_Ac0_3_TP4i.raw; RAW_FILE_NAME=Pos_2243_Ac0_3_TP4i.raw; RAW_FILE_NAME=Neg_2243_Ac0_3_TP4i.mzML; RAW_FILE_NAME=Pos_2243_Ac0_3_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	1	2243_Ac0_1_TP6i	Strain:2243 | AcetateGroup:0 | TimePoint:TP5 | Time:39	F_ID=F2; RAW_FILE_NAME=Neg_2243_Ac0_1_TP6i.raw; RAW_FILE_NAME=Pos_2243_Ac0_1_TP6i.raw; RAW_FILE_NAME=Neg_2243_Ac0_1_TP6i.mzML; RAW_FILE_NAME=Pos_2243_Ac0_1_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	2	2243_Ac0_2_TP6i	Strain:2243 | AcetateGroup:0 | TimePoint:TP5 | Time:39	F_ID=F4; RAW_FILE_NAME=Neg_2243_Ac0_2_TP6i.raw; RAW_FILE_NAME=Pos_2243_Ac0_2_TP6i.raw; RAW_FILE_NAME=Neg_2243_Ac0_2_TP6i.mzML; RAW_FILE_NAME=Pos_2243_Ac0_2_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	3	2243_Ac0_3_TP6i	Strain:2243 | AcetateGroup:0 | TimePoint:TP5 | Time:39	F_ID=F6; RAW_FILE_NAME=Neg_2243_Ac0_3_TP6i.raw; RAW_FILE_NAME=Pos_2243_Ac0_3_TP6i.raw; RAW_FILE_NAME=Neg_2243_Ac0_3_TP6i.mzML; RAW_FILE_NAME=Pos_2243_Ac0_3_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	1	2243_Ac10L_1_TP4i	Strain:2243 | AcetateGroup:10L | TimePoint:TP3 | Time:23	F_ID=F25; RAW_FILE_NAME=Neg_2243_Ac10L_1_TP4i.raw; RAW_FILE_NAME=Pos_2243_Ac10L_1_TP4i.raw; RAW_FILE_NAME=Neg_2243_Ac10L_1_TP4i.mzML; RAW_FILE_NAME=Pos_2243_Ac10L_1_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	2	2243_Ac10L_2_TP4i	Strain:2243 | AcetateGroup:10L | TimePoint:TP3 | Time:23	F_ID=F27; RAW_FILE_NAME=Neg_2243_Ac10L_2_TP4i.raw; RAW_FILE_NAME=Pos_2243_Ac10L_2_TP4i.raw; RAW_FILE_NAME=Neg_2243_Ac10L_2_TP4i.mzML; RAW_FILE_NAME=Pos_2243_Ac10L_2_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	3	2243_Ac10L_3_TP4i	Strain:2243 | AcetateGroup:10L | TimePoint:TP3 | Time:23	F_ID=F29; RAW_FILE_NAME=Neg_2243_Ac10L_3_TP4i.raw; RAW_FILE_NAME=Pos_2243_Ac10L_3_TP4i.raw; RAW_FILE_NAME=Neg_2243_Ac10L_3_TP4i.mzML; RAW_FILE_NAME=Pos_2243_Ac10L_3_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	1	2243_Ac10L_1_TP6i	Strain:2243 | AcetateGroup:10L | TimePoint:TP5 | Time:39	F_ID=F26; RAW_FILE_NAME=Neg_2243_Ac10L_1_TP6i.raw; RAW_FILE_NAME=Pos_2243_Ac10L_1_TP6i.raw; RAW_FILE_NAME=Neg_2243_Ac10L_1_TP6i.mzML; RAW_FILE_NAME=Pos_2243_Ac10L_1_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	2	2243_Ac10L_2_TP6i	Strain:2243 | AcetateGroup:10L | TimePoint:TP5 | Time:39	F_ID=F28; RAW_FILE_NAME=Neg_2243_Ac10L_2_TP6i.raw; RAW_FILE_NAME=Pos_2243_Ac10L_2_TP6i.raw; RAW_FILE_NAME=Neg_2243_Ac10L_2_TP6i.mzML; RAW_FILE_NAME=Pos_2243_Ac10L_2_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	3	2243_Ac10L_3_TP6i	Strain:2243 | AcetateGroup:10L | TimePoint:TP5 | Time:39	F_ID=F30; RAW_FILE_NAME=Neg_2243_Ac10L_3_TP6i.raw; RAW_FILE_NAME=Pos_2243_Ac10L_3_TP6i.raw; RAW_FILE_NAME=Neg_2243_Ac10L_3_TP6i.mzML; RAW_FILE_NAME=Pos_2243_Ac10L_3_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	1	2243_Ac10_1_TP4i	Strain:2243 | AcetateGroup:10 | TimePoint:TP3 | Time:23	F_ID=F19; RAW_FILE_NAME=Neg_2243_Ac10_1_TP4i.raw; RAW_FILE_NAME=Pos_2243_Ac10_1_TP4i.raw; RAW_FILE_NAME=Neg_2243_Ac10_1_TP4i.mzML; RAW_FILE_NAME=Pos_2243_Ac10_1_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	2	2243_Ac10_2_TP4i	Strain:2243 | AcetateGroup:10 | TimePoint:TP3 | Time:23	F_ID=F21; RAW_FILE_NAME=Neg_2243_Ac10_2_TP4i.raw; RAW_FILE_NAME=Pos_2243_Ac10_2_TP4i.raw; RAW_FILE_NAME=Neg_2243_Ac10_2_TP4i.mzML; RAW_FILE_NAME=Pos_2243_Ac10_2_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	3	2243_Ac10_3_TP4i	Strain:2243 | AcetateGroup:10 | TimePoint:TP3 | Time:23	F_ID=F23; RAW_FILE_NAME=Neg_2243_Ac10_3_TP4i.raw; RAW_FILE_NAME=Pos_2243_Ac10_3_TP4i.raw; RAW_FILE_NAME=Neg_2243_Ac10_3_TP4i.mzML; RAW_FILE_NAME=Pos_2243_Ac10_3_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	1	2243_Ac10_1_TP6i	Strain:2243 | AcetateGroup:10 | TimePoint:TP5 | Time:39	F_ID=F20; RAW_FILE_NAME=Neg_2243_Ac10_1_TP6i.raw; RAW_FILE_NAME=Pos_2243_Ac10_1_TP6i.raw; RAW_FILE_NAME=Neg_2243_Ac10_1_TP6i.mzML; RAW_FILE_NAME=Pos_2243_Ac10_1_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	2	2243_Ac10_2_TP6i	Strain:2243 | AcetateGroup:10 | TimePoint:TP5 | Time:39	F_ID=F22; RAW_FILE_NAME=Neg_2243_Ac10_2_TP6i.raw; RAW_FILE_NAME=Pos_2243_Ac10_2_TP6i.raw; RAW_FILE_NAME=Neg_2243_Ac10_2_TP6i.mzML; RAW_FILE_NAME=Pos_2243_Ac10_2_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	3	2243_Ac10_3_TP6i	Strain:2243 | AcetateGroup:10 | TimePoint:TP5 | Time:39	F_ID=F24; RAW_FILE_NAME=Neg_2243_Ac10_3_TP6i.raw; RAW_FILE_NAME=Pos_2243_Ac10_3_TP6i.raw; RAW_FILE_NAME=Neg_2243_Ac10_3_TP6i.mzML; RAW_FILE_NAME=Pos_2243_Ac10_3_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	1	2243_Ac1L_1_TP4i	Strain:2243 | AcetateGroup:1L | TimePoint:TP3 | Time:23	F_ID=F13; RAW_FILE_NAME=Neg_2243_Ac1L_1_TP4i.raw; RAW_FILE_NAME=Pos_2243_Ac1L_1_TP4i.raw; RAW_FILE_NAME=Neg_2243_Ac1L_1_TP4i.mzML; RAW_FILE_NAME=Pos_2243_Ac1L_1_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	2	2243_Ac1L_2_TP4i	Strain:2243 | AcetateGroup:1L | TimePoint:TP3 | Time:23	F_ID=F15; RAW_FILE_NAME=Neg_2243_Ac1L_2_TP4i.raw; RAW_FILE_NAME=Pos_2243_Ac1L_2_TP4i.raw; RAW_FILE_NAME=Neg_2243_Ac1L_2_TP4i.mzML; RAW_FILE_NAME=Pos_2243_Ac1L_2_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	3	2243_Ac1L_3_TP4i	Strain:2243 | AcetateGroup:1L | TimePoint:TP3 | Time:23	F_ID=F17; RAW_FILE_NAME=Neg_2243_Ac1L_3_TP4i.raw; RAW_FILE_NAME=Pos_2243_Ac1L_3_TP4i.raw; RAW_FILE_NAME=Neg_2243_Ac1L_3_TP4i.mzML; RAW_FILE_NAME=Pos_2243_Ac1L_3_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	1	2243_Ac1L_1_TP6i	Strain:2243 | AcetateGroup:1L | TimePoint:TP5 | Time:39	F_ID=F14; RAW_FILE_NAME=Neg_2243_Ac1L_1_TP6i.raw; RAW_FILE_NAME=Pos_2243_Ac1L_1_TP6i.raw; RAW_FILE_NAME=-; RAW_FILE_NAME=Pos_2243_Ac1L_1_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	2	2243_Ac1L_2_TP6i	Strain:2243 | AcetateGroup:1L | TimePoint:TP5 | Time:39	F_ID=F16; RAW_FILE_NAME=Neg_2243_Ac1L_2_TP6i.raw; RAW_FILE_NAME=Pos_2243_Ac1L_2_TP6i.raw; RAW_FILE_NAME=Neg_2243_Ac1L_2_TP6i.mzML; RAW_FILE_NAME=Pos_2243_Ac1L_2_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	3	2243_Ac1L_3_TP6i	Strain:2243 | AcetateGroup:1L | TimePoint:TP5 | Time:39	F_ID=F18; RAW_FILE_NAME=Neg_2243_Ac1L_3_TP6i.raw; RAW_FILE_NAME=Pos_2243_Ac1L_3_TP6i.raw; RAW_FILE_NAME=Neg_2243_Ac1L_3_TP6i.mzML; RAW_FILE_NAME=Pos_2243_Ac1L_3_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	1	2243_Ac1_1_TP4i	Strain:2243 | AcetateGroup:1 | TimePoint:TP3 | Time:23	F_ID=F7; RAW_FILE_NAME=Neg_2243_Ac1_1_TP4i.raw; RAW_FILE_NAME=Pos_2243_Ac1_1_TP4i.raw; RAW_FILE_NAME=Neg_2243_Ac1_1_TP4i.mzML; RAW_FILE_NAME=Pos_2243_Ac1_1_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	2	2243_Ac1_2_TP4i	Strain:2243 | AcetateGroup:1 | TimePoint:TP3 | Time:23	F_ID=F9; RAW_FILE_NAME=Neg_2243_Ac1_2_TP4i.raw; RAW_FILE_NAME=Pos_2243_Ac1_2_TP4i.raw; RAW_FILE_NAME=Neg_2243_Ac1_2_TP4i.mzML; RAW_FILE_NAME=Pos_2243_Ac1_2_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	3	2243_Ac1_3_TP4i	Strain:2243 | AcetateGroup:1 | TimePoint:TP3 | Time:23	F_ID=F11; RAW_FILE_NAME=Neg_2243_Ac1_3_TP4i.raw; RAW_FILE_NAME=Pos_2243_Ac1_3_TP4i.raw; RAW_FILE_NAME=Neg_2243_Ac1_3_TP4i.mzML; RAW_FILE_NAME=Pos_2243_Ac1_3_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	1	2243_Ac1_1_TP6i	Strain:2243 | AcetateGroup:1 | TimePoint:TP5 | Time:39	F_ID=F8; RAW_FILE_NAME=Neg_2243_Ac1_1_TP6i.raw; RAW_FILE_NAME=Pos_2243_Ac1_1_TP6i.raw; RAW_FILE_NAME=Neg_2243_Ac1_1_TP6i.mzML; RAW_FILE_NAME=Pos_2243_Ac1_1_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	2	2243_Ac1_2_TP6i	Strain:2243 | AcetateGroup:1 | TimePoint:TP5 | Time:39	F_ID=F10; RAW_FILE_NAME=Neg_2243_Ac1_2_TP6i.raw; RAW_FILE_NAME=Pos_2243_Ac1_2_TP6i.raw; RAW_FILE_NAME=Neg_2243_Ac1_2_TP6i.mzML; RAW_FILE_NAME=Pos_2243_Ac1_2_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	3	2243_Ac1_3_TP6i	Strain:2243 | AcetateGroup:1 | TimePoint:TP5 | Time:39	F_ID=F12; RAW_FILE_NAME=Neg_2243_Ac1_3_TP6i.raw; RAW_FILE_NAME=Pos_2243_Ac1_3_TP6i.raw; RAW_FILE_NAME=Neg_2243_Ac1_3_TP6i.mzML; RAW_FILE_NAME=Pos_2243_Ac1_3_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	1	AB8n2_Ac0_1_TP4i	Strain:AB8n2 | AcetateGroup:0 | TimePoint:TP3 | Time:23	F_ID=F31; RAW_FILE_NAME=Neg_AB8n2_Ac0_1_TP4i.raw; RAW_FILE_NAME=Pos_AB8n2_Ac0_1_TP4i.raw; RAW_FILE_NAME=Neg_AB8n2_Ac0_1_TP4i.mzML; RAW_FILE_NAME=Pos_AB8n2_Ac0_1_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	2	AB8n2_Ac0_2_TP4i	Strain:AB8n2 | AcetateGroup:0 | TimePoint:TP3 | Time:23	F_ID=F33; RAW_FILE_NAME=Neg_AB8n2_Ac0_2_TP4i.raw; RAW_FILE_NAME=Pos_AB8n2_Ac0_2_TP4i.raw; RAW_FILE_NAME=Neg_AB8n2_Ac0_2_TP4i.mzML; RAW_FILE_NAME=Pos_AB8n2_Ac0_2_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	3	AB8n2_Ac0_3_TP4i	Strain:AB8n2 | AcetateGroup:0 | TimePoint:TP3 | Time:23	F_ID=F35; RAW_FILE_NAME=Neg_AB8n2_Ac0_3_TP4i.raw; RAW_FILE_NAME=Pos_AB8n2_Ac0_3_TP4i.raw; RAW_FILE_NAME=Neg_AB8n2_Ac0_3_TP4i.mzML; RAW_FILE_NAME=Pos_AB8n2_Ac0_3_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	1	AB8n2_Ac0_1_TP6i	Strain:AB8n2 | AcetateGroup:0 | TimePoint:TP5 | Time:39	F_ID=F32; RAW_FILE_NAME=Neg_AB8n2_Ac0_1_TP6i.raw; RAW_FILE_NAME=Pos_AB8n2_Ac0_1_TP6i.raw; RAW_FILE_NAME=Neg_AB8n2_Ac0_1_TP6i.mzML; RAW_FILE_NAME=Pos_AB8n2_Ac0_1_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	2	AB8n2_Ac0_2_TP6i	Strain:AB8n2 | AcetateGroup:0 | TimePoint:TP5 | Time:39	F_ID=F34; RAW_FILE_NAME=Neg_AB8n2_Ac0_2_TP6i.raw; RAW_FILE_NAME=Pos_AB8n2_Ac0_2_TP6i.raw; RAW_FILE_NAME=Neg_AB8n2_Ac0_2_TP6i.mzML; RAW_FILE_NAME=Pos_AB8n2_Ac0_2_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	3	AB8n2_Ac0_3_TP6i	Strain:AB8n2 | AcetateGroup:0 | TimePoint:TP5 | Time:39	F_ID=F36; RAW_FILE_NAME=Neg_AB8n2_Ac0_3_TP6i.raw; RAW_FILE_NAME=Pos_AB8n2_Ac0_3_TP6i.raw; RAW_FILE_NAME=Neg_AB8n2_Ac0_3_TP6i.mzML; RAW_FILE_NAME=Pos_AB8n2_Ac0_3_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	1	AB8n2_Ac10L_1_TP4i	Strain:AB8n2 | AcetateGroup:10L | TimePoint:TP3 | Time:23	F_ID=F55; RAW_FILE_NAME=Neg_AB8n2_Ac10L_1_TP4i.raw; RAW_FILE_NAME=Pos_AB8n2_Ac10L_1_TP4i.raw; RAW_FILE_NAME=Neg_AB8n2_Ac10L_1_TP4i.mzML; RAW_FILE_NAME=Pos_AB8n2_Ac10L_1_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	2	AB8n2_Ac10L_2_TP4i	Strain:AB8n2 | AcetateGroup:10L | TimePoint:TP3 | Time:23	F_ID=F57; RAW_FILE_NAME=Neg_AB8n2_Ac10L_2_TP4i.raw; RAW_FILE_NAME=Pos_AB8n2_Ac10L_2_TP4i.raw; RAW_FILE_NAME=Neg_AB8n2_Ac10L_2_TP4i.mzML; RAW_FILE_NAME=Pos_AB8n2_Ac10L_2_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	3	AB8n2_Ac10L_3_TP4i	Strain:AB8n2 | AcetateGroup:10L | TimePoint:TP3 | Time:23	F_ID=F59; RAW_FILE_NAME=Neg_AB8n2_Ac10L_3_TP4i.raw; RAW_FILE_NAME=Pos_AB8n2_Ac10L_3_TP4i.raw; RAW_FILE_NAME=Neg_AB8n2_Ac10L_3_TP4i.mzML; RAW_FILE_NAME=Pos_AB8n2_Ac10L_3_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	1	AB8n2_Ac10L_1_TP6i	Strain:AB8n2 | AcetateGroup:10L | TimePoint:TP5 | Time:39	F_ID=F56; RAW_FILE_NAME=Neg_AB8n2_Ac10L_1_TP6i.raw; RAW_FILE_NAME=Pos_AB8n2_Ac10L_1_TP6i.raw; RAW_FILE_NAME=Neg_AB8n2_Ac10L_1_TP6i.mzML; RAW_FILE_NAME=Pos_AB8n2_Ac10L_1_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	2	AB8n2_Ac10L_2_TP6i	Strain:AB8n2 | AcetateGroup:10L | TimePoint:TP5 | Time:39	F_ID=F58; RAW_FILE_NAME=Neg_AB8n2_Ac10L_2_TP6i.raw; RAW_FILE_NAME=Pos_AB8n2_Ac10L_2_TP6i.raw; RAW_FILE_NAME=Neg_AB8n2_Ac10L_2_TP6i.mzML; RAW_FILE_NAME=Pos_AB8n2_Ac10L_2_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	3	AB8n2_Ac10L_3_TP6i	Strain:AB8n2 | AcetateGroup:10L | TimePoint:TP5 | Time:39	F_ID=F60; RAW_FILE_NAME=Neg_AB8n2_Ac10L_3_TP6i.raw; RAW_FILE_NAME=Pos_AB8n2_Ac10L_3_TP6i.raw; RAW_FILE_NAME=Neg_AB8n2_Ac10L_3_TP6i.mzML; RAW_FILE_NAME=-
SUBJECT_SAMPLE_FACTORS           	1	AB8n2_Ac10_1_TP4i	Strain:AB8n2 | AcetateGroup:10 | TimePoint:TP3 | Time:23	F_ID=F49; RAW_FILE_NAME=Neg_AB8n2_Ac10_1_TP4i.raw; RAW_FILE_NAME=Pos_AB8n2_Ac10_1_TP4i.raw; RAW_FILE_NAME=Neg_AB8n2_Ac10_1_TP4i.mzML; RAW_FILE_NAME=Pos_AB8n2_Ac10_1_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	2	AB8n2_Ac10_2_TP4i	Strain:AB8n2 | AcetateGroup:10 | TimePoint:TP3 | Time:23	F_ID=F51; RAW_FILE_NAME=Neg_AB8n2_Ac10_2_TP4i.raw; RAW_FILE_NAME=Pos_AB8n2_Ac10_2_TP4i.raw; RAW_FILE_NAME=Neg_AB8n2_Ac10_2_TP4i.mzML; RAW_FILE_NAME=Pos_AB8n2_Ac10_2_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	3	AB8n2_Ac10_3_TP4i	Strain:AB8n2 | AcetateGroup:10 | TimePoint:TP3 | Time:23	F_ID=F53; RAW_FILE_NAME=Neg_AB8n2_Ac10_3_TP4i.raw; RAW_FILE_NAME=Pos_AB8n2_Ac10_3_TP4i.raw; RAW_FILE_NAME=Neg_AB8n2_Ac10_3_TP4i.mzML; RAW_FILE_NAME=Pos_AB8n2_Ac10_3_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	1	AB8n2_Ac10_1_TP6i	Strain:AB8n2 | AcetateGroup:10 | TimePoint:TP5 | Time:39	F_ID=F50; RAW_FILE_NAME=Neg_AB8n2_Ac10_1_TP6i.raw; RAW_FILE_NAME=Pos_AB8n2_Ac10_1_TP6i.raw; RAW_FILE_NAME=Neg_AB8n2_Ac10_1_TP6i.mzML; RAW_FILE_NAME=Pos_AB8n2_Ac10_1_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	2	AB8n2_Ac10_2_TP6i	Strain:AB8n2 | AcetateGroup:10 | TimePoint:TP5 | Time:39	F_ID=F52; RAW_FILE_NAME=Neg_AB8n2_Ac10_2_TP6i.raw; RAW_FILE_NAME=Pos_AB8n2_Ac10_2_TP6i.raw; RAW_FILE_NAME=Neg_AB8n2_Ac10_2_TP6i.mzML; RAW_FILE_NAME=Pos_AB8n2_Ac10_2_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	3	AB8n2_Ac10_3_TP6i	Strain:AB8n2 | AcetateGroup:10 | TimePoint:TP5 | Time:39	F_ID=F54; RAW_FILE_NAME=Neg_AB8n2_Ac10_3_TP6i.raw; RAW_FILE_NAME=Pos_AB8n2_Ac10_3_TP6i.raw; RAW_FILE_NAME=Neg_AB8n2_Ac10_3_TP6i.mzML; RAW_FILE_NAME=Pos_AB8n2_Ac10_3_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	1	AB8n2_Ac1L_1_TP4i	Strain:AB8n2 | AcetateGroup:1L | TimePoint:TP3 | Time:23	F_ID=F43; RAW_FILE_NAME=Neg_AB8n2_Ac1L_1_TP4i.raw; RAW_FILE_NAME=Pos_AB8n2_Ac1L_1_TP4i.raw; RAW_FILE_NAME=Neg_AB8n2_Ac1L_1_TP4i.mzML; RAW_FILE_NAME=Pos_AB8n2_Ac1L_1_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	2	AB8n2_Ac1L_2_TP4i	Strain:AB8n2 | AcetateGroup:1L | TimePoint:TP3 | Time:23	F_ID=F45; RAW_FILE_NAME=Neg_AB8n2_Ac1L_2_TP4i.raw; RAW_FILE_NAME=Pos_AB8n2_Ac1L_2_TP4i.raw; RAW_FILE_NAME=Neg_AB8n2_Ac1L_2_TP4i.mzML; RAW_FILE_NAME=Pos_AB8n2_Ac1L_2_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	3	AB8n2_Ac1L_3_TP4i	Strain:AB8n2 | AcetateGroup:1L | TimePoint:TP3 | Time:23	F_ID=F47; RAW_FILE_NAME=Neg_AB8n2_Ac1L_3_TP4i.raw; RAW_FILE_NAME=Pos_AB8n2_Ac1L_3_TP4i.raw; RAW_FILE_NAME=Neg_AB8n2_Ac1L_3_TP4i.mzML; RAW_FILE_NAME=Pos_AB8n2_Ac1L_3_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	1	AB8n2_Ac1L_1_TP6i	Strain:AB8n2 | AcetateGroup:1L | TimePoint:TP5 | Time:39	F_ID=F44; RAW_FILE_NAME=Neg_AB8n2_Ac1L_1_TP6i.raw; RAW_FILE_NAME=Pos_AB8n2_Ac1L_1_TP6i.raw; RAW_FILE_NAME=Neg_AB8n2_Ac1L_1_TP6i.mzML; RAW_FILE_NAME=Pos_AB8n2_Ac1L_1_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	2	AB8n2_Ac1L_2_TP6i	Strain:AB8n2 | AcetateGroup:1L | TimePoint:TP5 | Time:39	F_ID=F46; RAW_FILE_NAME=Neg_AB8n2_Ac1L_2_TP6i.raw; RAW_FILE_NAME=Pos_AB8n2_Ac1L_2_TP6i.raw; RAW_FILE_NAME=Neg_AB8n2_Ac1L_2_TP6i.mzML; RAW_FILE_NAME=Pos_AB8n2_Ac1L_2_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	3	AB8n2_Ac1L_3_TP6i	Strain:AB8n2 | AcetateGroup:1L | TimePoint:TP5 | Time:39	F_ID=F48; RAW_FILE_NAME=Neg_AB8n2_Ac1L_3_TP6i.raw; RAW_FILE_NAME=Pos_AB8n2_Ac1L_3_TP6i.raw; RAW_FILE_NAME=Neg_AB8n2_Ac1L_3_TP6i.mzML; RAW_FILE_NAME=Pos_AB8n2_Ac1L_3_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	1	AB8n2_Ac1_1_TP4i	Strain:AB8n2 | AcetateGroup:1 | TimePoint:TP3 | Time:23	F_ID=F37; RAW_FILE_NAME=Neg_AB8n2_Ac1_1_TP4i.raw; RAW_FILE_NAME=Pos_AB8n2_Ac1_1_TP4i.raw; RAW_FILE_NAME=Neg_AB8n2_Ac1_1_TP4i.mzML; RAW_FILE_NAME=Pos_AB8n2_Ac1_1_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	2	AB8n2_Ac1_2_TP4i	Strain:AB8n2 | AcetateGroup:1 | TimePoint:TP3 | Time:23	F_ID=F39; RAW_FILE_NAME=Neg_AB8n2_Ac1_2_TP4i.raw; RAW_FILE_NAME=Pos_AB8n2_Ac1_2_TP4i.raw; RAW_FILE_NAME=Neg_AB8n2_Ac1_2_TP4i.mzML; RAW_FILE_NAME=Pos_AB8n2_Ac1_2_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	3	AB8n2_Ac1_3_TP4i	Strain:AB8n2 | AcetateGroup:1 | TimePoint:TP3 | Time:23	F_ID=F41; RAW_FILE_NAME=Neg_AB8n2_Ac1_3_TP4i.raw; RAW_FILE_NAME=Pos_AB8n2_Ac1_3_TP4i.raw; RAW_FILE_NAME=Neg_AB8n2_Ac1_3_TP4i.mzML; RAW_FILE_NAME=Pos_AB8n2_Ac1_3_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	1	AB8n2_Ac1_1_TP6i	Strain:AB8n2 | AcetateGroup:1 | TimePoint:TP5 | Time:39	F_ID=F38; RAW_FILE_NAME=Neg_AB8n2_Ac1_1_TP6i.raw; RAW_FILE_NAME=Pos_AB8n2_Ac1_1_TP6i.raw; RAW_FILE_NAME=Neg_AB8n2_Ac1_1_TP6i.mzML; RAW_FILE_NAME=Pos_AB8n2_Ac1_1_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	2	AB8n2_Ac1_2_TP6i	Strain:AB8n2 | AcetateGroup:1 | TimePoint:TP5 | Time:39	F_ID=F40; RAW_FILE_NAME=Neg_AB8n2_Ac1_2_TP6i.raw; RAW_FILE_NAME=Pos_AB8n2_Ac1_2_TP6i.raw; RAW_FILE_NAME=Neg_AB8n2_Ac1_2_TP6i.mzML; RAW_FILE_NAME=Pos_AB8n2_Ac1_2_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	3	AB8n2_Ac1_3_TP6i	Strain:AB8n2 | AcetateGroup:1 | TimePoint:TP5 | Time:39	F_ID=F42; RAW_FILE_NAME=Neg_AB8n2_Ac1_3_TP6i.raw; RAW_FILE_NAME=Pos_AB8n2_Ac1_3_TP6i.raw; RAW_FILE_NAME=Neg_AB8n2_Ac1_3_TP6i.mzML; RAW_FILE_NAME=Pos_AB8n2_Ac1_3_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	-	Intra_BK_1	Strain:- | AcetateGroup:- | TimePoint:- | Time:-	F_ID=-; RAW_FILE_NAME=Neg_Intra_BK_1.raw; RAW_FILE_NAME=Pos_Intra_BK_1.raw; RAW_FILE_NAME=Neg_Intra_BK_1.mzML; RAW_FILE_NAME=Pos_Intra_BK_1.mzML
SUBJECT_SAMPLE_FACTORS           	-	Intra_BK_2	Strain:- | AcetateGroup:- | TimePoint:- | Time:-	F_ID=-; RAW_FILE_NAME=Neg_Intra_BK_2.raw; RAW_FILE_NAME=Pos_Intra_BK_2.raw; RAW_FILE_NAME=Neg_Intra_BK_2.mzML; RAW_FILE_NAME=Pos_Intra_BK_2.mzML
SUBJECT_SAMPLE_FACTORS           	-	Intra_BK_3	Strain:- | AcetateGroup:- | TimePoint:- | Time:-	F_ID=-; RAW_FILE_NAME=Neg_Intra_BK_3.raw; RAW_FILE_NAME=Pos_Intra_BK_3.raw; RAW_FILE_NAME=Neg_Intra_BK_3.mzML; RAW_FILE_NAME=Pos_Intra_BK_3.mzML
SUBJECT_SAMPLE_FACTORS           	-	Intra_BK_4	Strain:- | AcetateGroup:- | TimePoint:- | Time:-	F_ID=-; RAW_FILE_NAME=Neg_Intra_BK_4.raw; RAW_FILE_NAME=Pos_Intra_BK_4.raw; RAW_FILE_NAME=Neg_Intra_BK_4.mzML; RAW_FILE_NAME=Pos_Intra_BK_4.mzML
SUBJECT_SAMPLE_FACTORS           	-	Intra_BK_5	Strain:- | AcetateGroup:- | TimePoint:- | Time:-	F_ID=-; RAW_FILE_NAME=Neg_Intra_BK_5.raw; RAW_FILE_NAME=Pos_Intra_BK_5.raw; RAW_FILE_NAME=Neg_Intra_BK_5.mzML; RAW_FILE_NAME=Pos_Intra_BK_5.mzML
SUBJECT_SAMPLE_FACTORS           	-	Intra_BK_6	Strain:- | AcetateGroup:- | TimePoint:- | Time:-	F_ID=-; RAW_FILE_NAME=Neg_Intra_BK_6.raw; RAW_FILE_NAME=Pos_Intra_BK_6.raw; RAW_FILE_NAME=Neg_Intra_BK_6.mzML; RAW_FILE_NAME=Pos_Intra_BK_6.mzML
SUBJECT_SAMPLE_FACTORS           	-	Intra_BK_7	Strain:- | AcetateGroup:- | TimePoint:- | Time:-	F_ID=-; RAW_FILE_NAME=Neg_Intra_BK_7.raw; RAW_FILE_NAME=Pos_Intra_BK_7.raw; RAW_FILE_NAME=Neg_Intra_BK_7.mzML; RAW_FILE_NAME=Pos_Intra_BK_7.mzML
SUBJECT_SAMPLE_FACTORS           	-	Intra_BK_8	Strain:- | AcetateGroup:- | TimePoint:- | Time:-	F_ID=-; RAW_FILE_NAME=Neg_Intra_BK_8.raw; RAW_FILE_NAME=Pos_Intra_BK_8.raw; RAW_FILE_NAME=Neg_Intra_BK_8.mzML; RAW_FILE_NAME=Pos_Intra_BK_8.mzML
SUBJECT_SAMPLE_FACTORS           	-	Intra_BK_9	Strain:- | AcetateGroup:- | TimePoint:- | Time:-	F_ID=-; RAW_FILE_NAME=Neg_Intra_BK_9.raw; RAW_FILE_NAME=Pos_Intra_BK_9.raw; RAW_FILE_NAME=Neg_Intra_BK_9.mzML; RAW_FILE_NAME=Pos_Intra_BK_9.mzML
SUBJECT_SAMPLE_FACTORS           	-	Intra_pool_1	Strain:- | AcetateGroup:- | TimePoint:- | Time:-	F_ID=-; RAW_FILE_NAME=Neg_Intra_pool_1.raw; RAW_FILE_NAME=Pos_Intra_pool_1.raw; RAW_FILE_NAME=Neg_Intra_pool_1.mzML; RAW_FILE_NAME=Pos_Intra_pool_1.mzML
SUBJECT_SAMPLE_FACTORS           	-	Intra_pool_2	Strain:- | AcetateGroup:- | TimePoint:- | Time:-	F_ID=-; RAW_FILE_NAME=Neg_Intra_pool_2.raw; RAW_FILE_NAME=Pos_Intra_pool_2.raw; RAW_FILE_NAME=Neg_Intra_pool_2.mzML; RAW_FILE_NAME=Pos_Intra_pool_2.mzML
SUBJECT_SAMPLE_FACTORS           	-	Intra_pool_3	Strain:- | AcetateGroup:- | TimePoint:- | Time:-	F_ID=-; RAW_FILE_NAME=Neg_Intra_pool_3.raw; RAW_FILE_NAME=Pos_Intra_pool_3.raw; RAW_FILE_NAME=Neg_Intra_pool_3.mzML; RAW_FILE_NAME=Pos_Intra_pool_3.mzML
SUBJECT_SAMPLE_FACTORS           	-	Intra_pool_4	Strain:- | AcetateGroup:- | TimePoint:- | Time:-	F_ID=-; RAW_FILE_NAME=Neg_Intra_pool_4.raw; RAW_FILE_NAME=Pos_Intra_pool_4.raw; RAW_FILE_NAME=Neg_Intra_pool_4.mzML; RAW_FILE_NAME=Pos_Intra_pool_4.mzML
SUBJECT_SAMPLE_FACTORS           	1	c_Ac0_1_TP4i	Strain:c | AcetateGroup:0 | TimePoint:TP3 | Time:23	F_ID=F61; RAW_FILE_NAME=Neg_c_Ac0_1_TP4i.raw; RAW_FILE_NAME=Pos_c_Ac0_1_TP4i.raw; RAW_FILE_NAME=Neg_c_Ac0_1_TP4i.mzML; RAW_FILE_NAME=Pos_c_Ac0_1_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	2	c_Ac0_2_TP4i	Strain:c | AcetateGroup:0 | TimePoint:TP3 | Time:23	F_ID=F63; RAW_FILE_NAME=Neg_c_Ac0_2_TP4i.raw; RAW_FILE_NAME=Pos_c_Ac0_2_TP4i.raw; RAW_FILE_NAME=Neg_c_Ac0_2_TP4i.mzML; RAW_FILE_NAME=Pos_c_Ac0_2_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	1	c_Ac0_1_TP6i	Strain:c | AcetateGroup:0 | TimePoint:TP5 | Time:39	F_ID=F62; RAW_FILE_NAME=Neg_c_Ac0_1_TP6i.raw; RAW_FILE_NAME=Pos_c_Ac0_1_TP6i.raw; RAW_FILE_NAME=Neg_c_Ac0_1_TP6i.mzML; RAW_FILE_NAME=Pos_c_Ac0_1_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	2	c_Ac0_2_TP6i	Strain:c | AcetateGroup:0 | TimePoint:TP5 | Time:39	F_ID=F64; RAW_FILE_NAME=Neg_c_Ac0_2_TP6i.raw; RAW_FILE_NAME=Pos_c_Ac0_2_TP6i.raw; RAW_FILE_NAME=Neg_c_Ac0_2_TP6i.mzML; RAW_FILE_NAME=Pos_c_Ac0_2_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	1	c_Ac10L_1_TP4i	Strain:c | AcetateGroup:10L | TimePoint:TP3 | Time:23	F_ID=F77; RAW_FILE_NAME=Neg_c_Ac10L_1_TP4i.raw; RAW_FILE_NAME=Pos_c_Ac10L_1_TP4i.raw; RAW_FILE_NAME=Neg_c_Ac10L_1_TP4i.mzML; RAW_FILE_NAME=Pos_c_Ac10L_1_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	2	c_Ac10L_2_TP4i	Strain:c | AcetateGroup:10L | TimePoint:TP3 | Time:23	F_ID=F79; RAW_FILE_NAME=Neg_c_Ac10L_2_TP4i.raw; RAW_FILE_NAME=Pos_c_Ac10L_2_TP4i.raw; RAW_FILE_NAME=Neg_c_Ac10L_2_TP4i.mzML; RAW_FILE_NAME=Pos_c_Ac10L_2_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	1	c_Ac10L_1_TP6i	Strain:c | AcetateGroup:10L | TimePoint:TP5 | Time:39	F_ID=F78; RAW_FILE_NAME=Neg_c_Ac10L_1_TP6i.raw; RAW_FILE_NAME=Pos_c_Ac10L_1_TP6i.raw; RAW_FILE_NAME=Neg_c_Ac10L_1_TP6i.mzML; RAW_FILE_NAME=Pos_c_Ac10L_1_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	2	c_Ac10L_2_TP6i	Strain:c | AcetateGroup:10L | TimePoint:TP5 | Time:39	F_ID=F80; RAW_FILE_NAME=Neg_c_Ac10L_2_TP6i.raw; RAW_FILE_NAME=Pos_c_Ac10L_2_TP6i.raw; RAW_FILE_NAME=Neg_c_Ac10L_2_TP6i.mzML; RAW_FILE_NAME=Pos_c_Ac10L_2_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	1	c_Ac10_1_TP4i	Strain:c | AcetateGroup:10 | TimePoint:TP3 | Time:23	F_ID=F73; RAW_FILE_NAME=Neg_c_Ac10_1_TP4i.raw; RAW_FILE_NAME=Pos_c_Ac10_1_TP4i.raw; RAW_FILE_NAME=Neg_c_Ac10_1_TP4i.mzML; RAW_FILE_NAME=Pos_c_Ac10_1_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	2	c_Ac10_2_TP4i	Strain:c | AcetateGroup:10 | TimePoint:TP3 | Time:23	F_ID=F75; RAW_FILE_NAME=Neg_c_Ac10_2_TP4i.raw; RAW_FILE_NAME=Pos_c_Ac10_2_TP4i.raw; RAW_FILE_NAME=Neg_c_Ac10_2_TP4i.mzML; RAW_FILE_NAME=Pos_c_Ac10_2_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	1	c_Ac10_1_TP6i	Strain:c | AcetateGroup:10 | TimePoint:TP5 | Time:39	F_ID=F74; RAW_FILE_NAME=Neg_c_Ac10_1_TP6i.raw; RAW_FILE_NAME=Pos_c_Ac10_1_TP6i.raw; RAW_FILE_NAME=Neg_c_Ac10_1_TP6i.mzML; RAW_FILE_NAME=Pos_c_Ac10_1_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	2	c_Ac10_2_TP6i	Strain:c | AcetateGroup:10 | TimePoint:TP5 | Time:39	F_ID=F76; RAW_FILE_NAME=Neg_c_Ac10_2_TP6i.raw; RAW_FILE_NAME=Pos_c_Ac10_2_TP6i.raw; RAW_FILE_NAME=Neg_c_Ac10_2_TP6i.mzML; RAW_FILE_NAME=Pos_c_Ac10_2_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	1	c_Ac1L_1_TP4i	Strain:c | AcetateGroup:1L | TimePoint:TP3 | Time:23	F_ID=F69; RAW_FILE_NAME=Neg_c_Ac1L_1_TP4i.raw; RAW_FILE_NAME=Pos_c_Ac1L_1_TP4i.raw; RAW_FILE_NAME=Neg_c_Ac1L_1_TP4i.mzML; RAW_FILE_NAME=Pos_c_Ac1L_1_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	2	c_Ac1L_2_TP4i	Strain:c | AcetateGroup:1L | TimePoint:TP3 | Time:23	F_ID=F71; RAW_FILE_NAME=Neg_c_Ac1L_2_TP4i.raw; RAW_FILE_NAME=Pos_c_Ac1L_2_TP4i.raw; RAW_FILE_NAME=Neg_c_Ac1L_2_TP4i.mzML; RAW_FILE_NAME=Pos_c_Ac1L_2_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	1	c_Ac1L_1_TP6i	Strain:c | AcetateGroup:1L | TimePoint:TP5 | Time:39	F_ID=F70; RAW_FILE_NAME=Neg_c_Ac1L_1_TP6i.raw; RAW_FILE_NAME=Pos_c_Ac1L_1_TP6i.raw; RAW_FILE_NAME=Neg_c_Ac1L_1_TP6i.mzML; RAW_FILE_NAME=Pos_c_Ac1L_1_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	2	c_Ac1L_2_TP6i	Strain:c | AcetateGroup:1L | TimePoint:TP5 | Time:39	F_ID=F72; RAW_FILE_NAME=Neg_c_Ac1L_2_TP6i.raw; RAW_FILE_NAME=Pos_c_Ac1L_2_TP6i.raw; RAW_FILE_NAME=Neg_c_Ac1L_2_TP6i.mzML; RAW_FILE_NAME=Pos_c_Ac1L_2_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	1	c_Ac1_1_TP4i	Strain:c | AcetateGroup:1 | TimePoint:TP3 | Time:23	F_ID=F65; RAW_FILE_NAME=Neg_c_Ac1_1_TP4i.raw; RAW_FILE_NAME=Pos_c_Ac1_1_TP4i.raw; RAW_FILE_NAME=Neg_c_Ac1_1_TP4i.mzML; RAW_FILE_NAME=Pos_c_Ac1_1_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	2	c_Ac1_2_TP4i	Strain:c | AcetateGroup:1 | TimePoint:TP3 | Time:23	F_ID=F67; RAW_FILE_NAME=Neg_c_Ac1_2_TP4i.raw; RAW_FILE_NAME=Pos_c_Ac1_2_TP4i.raw; RAW_FILE_NAME=Neg_c_Ac1_2_TP4i.mzML; RAW_FILE_NAME=Pos_c_Ac1_2_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	1	c_Ac1_1_TP6i	Strain:c | AcetateGroup:1 | TimePoint:TP5 | Time:39	F_ID=F66; RAW_FILE_NAME=Neg_c_Ac1_1_TP6i.raw; RAW_FILE_NAME=Pos_c_Ac1_1_TP6i.raw; RAW_FILE_NAME=Neg_c_Ac1_1_TP6i.mzML; RAW_FILE_NAME=Pos_c_Ac1_1_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	2	c_Ac1_2_TP6i	Strain:c | AcetateGroup:1 | TimePoint:TP5 | Time:39	F_ID=F68; RAW_FILE_NAME=Neg_c_Ac1_2_TP6i.raw; RAW_FILE_NAME=Pos_c_Ac1_2_TP6i.raw; RAW_FILE_NAME=Neg_c_Ac1_2_TP6i.mzML; RAW_FILE_NAME=-
SUBJECT_SAMPLE_FACTORS           	1	Valencia_Ac0_1_TP4i	Strain:Valencia | AcetateGroup:0 | TimePoint:TP3 | Time:23	F_ID=F94; RAW_FILE_NAME=Neg_Valencia_Ac0_1_TP4i.raw; RAW_FILE_NAME=Pos_Valencia_Ac0_1_TP4i.raw; RAW_FILE_NAME=Neg_Valencia_Ac0_1_TP4i.mzML; RAW_FILE_NAME=Pos_Valencia_Ac0_1_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	2	Valencia_Ac0_2_TP4i	Strain:Valencia | AcetateGroup:0 | TimePoint:TP3 | Time:23	F_ID=F96; RAW_FILE_NAME=Neg_Valencia_Ac0_2_TP4i.raw; RAW_FILE_NAME=Pos_Valencia_Ac0_2_TP4i.raw; RAW_FILE_NAME=Neg_Valencia_Ac0_2_TP4i.mzML; RAW_FILE_NAME=Pos_Valencia_Ac0_2_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	3	Valencia_Ac0_3_TP4i	Strain:Valencia | AcetateGroup:0 | TimePoint:TP3 | Time:23	F_ID=F98; RAW_FILE_NAME=Neg_Valencia_Ac0_3_TP4i.raw; RAW_FILE_NAME=Pos_Valencia_Ac0_3_TP4i.raw; RAW_FILE_NAME=Neg_Valencia_Ac0_3_TP4i.mzML; RAW_FILE_NAME=Pos_Valencia_Ac0_3_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	1	Valencia_Ac0_1_TP6i	Strain:Valencia | AcetateGroup:0 | TimePoint:TP5 | Time:39	F_ID=F95; RAW_FILE_NAME=Neg_Valencia_Ac0_1_TP6i.raw; RAW_FILE_NAME=Pos_Valencia_Ac0_1_TP6i.raw; RAW_FILE_NAME=Neg_Valencia_Ac0_1_TP6i.mzML; RAW_FILE_NAME=Pos_Valencia_Ac0_1_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	2	Valencia_Ac0_2_TP6i	Strain:Valencia | AcetateGroup:0 | TimePoint:TP5 | Time:39	F_ID=F97; RAW_FILE_NAME=Neg_Valencia_Ac0_2_TP6i.raw; RAW_FILE_NAME=Pos_Valencia_Ac0_2_TP6i.raw; RAW_FILE_NAME=Neg_Valencia_Ac0_2_TP6i.mzML; RAW_FILE_NAME=Pos_Valencia_Ac0_2_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	3	Valencia_Ac0_3_TP6i	Strain:Valencia | AcetateGroup:0 | TimePoint:TP5 | Time:39	F_ID=F99; RAW_FILE_NAME=Neg_Valencia_Ac0_3_TP6i.raw; RAW_FILE_NAME=Pos_Valencia_Ac0_3_TP6i.raw; RAW_FILE_NAME=Neg_Valencia_Ac0_3_TP6i.mzML; RAW_FILE_NAME=Pos_Valencia_Ac0_3_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	1	Valencia_Ac10L_1_TP4i	Strain:Valencia | AcetateGroup:10L | TimePoint:TP3 | Time:23	F_ID=F118; RAW_FILE_NAME=Neg_Valencia_Ac10L_1_TP4i.raw; RAW_FILE_NAME=Pos_Valencia_Ac10L_1_TP4i.raw; RAW_FILE_NAME=Neg_Valencia_Ac10L_1_TP4i.mzML; RAW_FILE_NAME=Pos_Valencia_Ac10L_1_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	2	Valencia_Ac10L_2_TP4i	Strain:Valencia | AcetateGroup:10L | TimePoint:TP3 | Time:23	F_ID=F120; RAW_FILE_NAME=Neg_Valencia_Ac10L_2_TP4i.raw; RAW_FILE_NAME=Pos_Valencia_Ac10L_2_TP4i.raw; RAW_FILE_NAME=Neg_Valencia_Ac10L_2_TP4i.mzML; RAW_FILE_NAME=Pos_Valencia_Ac10L_2_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	3	Valencia_Ac10L_3_TP4i	Strain:Valencia | AcetateGroup:10L | TimePoint:TP3 | Time:23	F_ID=F122; RAW_FILE_NAME=Neg_Valencia_Ac10L_3_TP4i.raw; RAW_FILE_NAME=Pos_Valencia_Ac10L_3_TP4i.raw; RAW_FILE_NAME=Neg_Valencia_Ac10L_3_TP4i.mzML; RAW_FILE_NAME=Pos_Valencia_Ac10L_3_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	1	Valencia_Ac10L_1_TP6i	Strain:Valencia | AcetateGroup:10L | TimePoint:TP5 | Time:39	F_ID=F119; RAW_FILE_NAME=Neg_Valencia_Ac10L_1_TP6i.raw; RAW_FILE_NAME=Pos_Valencia_Ac10L_1_TP6i.raw; RAW_FILE_NAME=Neg_Valencia_Ac10L_1_TP6i.mzML; RAW_FILE_NAME=Pos_Valencia_Ac10L_1_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	2	Valencia_Ac10L_2_TP6i	Strain:Valencia | AcetateGroup:10L | TimePoint:TP5 | Time:39	F_ID=F121; RAW_FILE_NAME=Neg_Valencia_Ac10L_2_TP6i.raw; RAW_FILE_NAME=Pos_Valencia_Ac10L_2_TP6i.raw; RAW_FILE_NAME=Neg_Valencia_Ac10L_2_TP6i.mzML; RAW_FILE_NAME=Pos_Valencia_Ac10L_2_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	3	Valencia_Ac10L_3_TP6i	Strain:Valencia | AcetateGroup:10L | TimePoint:TP5 | Time:39	F_ID=F123; RAW_FILE_NAME=Neg_Valencia_Ac10L_3_TP6i.raw; RAW_FILE_NAME=Pos_Valencia_Ac10L_3_TP6i.raw; RAW_FILE_NAME=Neg_Valencia_Ac10L_3_TP6i.mzML; RAW_FILE_NAME=Pos_Valencia_Ac10L_3_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	1	Valencia_Ac10_1_TP4i	Strain:Valencia | AcetateGroup:10 | TimePoint:TP3 | Time:23	F_ID=F112; RAW_FILE_NAME=Neg_Valencia_Ac10_1_TP4i.raw; RAW_FILE_NAME=Pos_Valencia_Ac10_1_TP4i.raw; RAW_FILE_NAME=Neg_Valencia_Ac10_1_TP4i.mzML; RAW_FILE_NAME=Pos_Valencia_Ac10_1_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	2	Valencia_Ac10_2_TP4i	Strain:Valencia | AcetateGroup:10 | TimePoint:TP3 | Time:23	F_ID=F114; RAW_FILE_NAME=Neg_Valencia_Ac10_2_TP4i.raw; RAW_FILE_NAME=Pos_Valencia_Ac10_2_TP4i.raw; RAW_FILE_NAME=Neg_Valencia_Ac10_2_TP4i.mzML; RAW_FILE_NAME=Pos_Valencia_Ac10_2_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	3	Valencia_Ac10_3_TP4i	Strain:Valencia | AcetateGroup:10 | TimePoint:TP3 | Time:23	F_ID=F116; RAW_FILE_NAME=Neg_Valencia_Ac10_3_TP4i.raw; RAW_FILE_NAME=Pos_Valencia_Ac10_3_TP4i.raw; RAW_FILE_NAME=Neg_Valencia_Ac10_3_TP4i.mzML; RAW_FILE_NAME=Pos_Valencia_Ac10_3_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	1	Valencia_Ac10_1_TP6i	Strain:Valencia | AcetateGroup:10 | TimePoint:TP5 | Time:39	F_ID=F113; RAW_FILE_NAME=Neg_Valencia_Ac10_1_TP6i.raw; RAW_FILE_NAME=Pos_Valencia_Ac10_1_TP6i.raw; RAW_FILE_NAME=Neg_Valencia_Ac10_1_TP6i.mzML; RAW_FILE_NAME=Pos_Valencia_Ac10_1_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	2	Valencia_Ac10_2_TP6i	Strain:Valencia | AcetateGroup:10 | TimePoint:TP5 | Time:39	F_ID=F115; RAW_FILE_NAME=Neg_Valencia_Ac10_2_TP6i.raw; RAW_FILE_NAME=Pos_Valencia_Ac10_2_TP6i.raw; RAW_FILE_NAME=Neg_Valencia_Ac10_2_TP6i.mzML; RAW_FILE_NAME=Pos_Valencia_Ac10_2_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	3	Valencia_Ac10_3_TP6i	Strain:Valencia | AcetateGroup:10 | TimePoint:TP5 | Time:39	F_ID=F117; RAW_FILE_NAME=Neg_Valencia_Ac10_3_TP6i.raw; RAW_FILE_NAME=Pos_Valencia_Ac10_3_TP6i.raw; RAW_FILE_NAME=Neg_Valencia_Ac10_3_TP6i.mzML; RAW_FILE_NAME=Pos_Valencia_Ac10_3_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	1	Valencia_Ac1L_1_TP4i	Strain:Valencia | AcetateGroup:1L | TimePoint:TP3 | Time:23	F_ID=F106; RAW_FILE_NAME=Neg_Valencia_Ac1L_1_TP4i.raw; RAW_FILE_NAME=Pos_Valencia_Ac1L_1_TP4i.raw; RAW_FILE_NAME=Neg_Valencia_Ac1L_1_TP4i.mzML; RAW_FILE_NAME=Pos_Valencia_Ac1L_1_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	2	Valencia_Ac1L_2_TP4i	Strain:Valencia | AcetateGroup:1L | TimePoint:TP3 | Time:23	F_ID=F108; RAW_FILE_NAME=Neg_Valencia_Ac1L_2_TP4i.raw; RAW_FILE_NAME=Pos_Valencia_Ac1L_2_TP4i.raw; RAW_FILE_NAME=Neg_Valencia_Ac1L_2_TP4i.mzML; RAW_FILE_NAME=Pos_Valencia_Ac1L_2_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	3	Valencia_Ac1L_3_TP4i	Strain:Valencia | AcetateGroup:1L | TimePoint:TP3 | Time:23	F_ID=F110; RAW_FILE_NAME=Neg_Valencia_Ac1L_3_TP4i.raw; RAW_FILE_NAME=Pos_Valencia_Ac1L_3_TP4i.raw; RAW_FILE_NAME=Neg_Valencia_Ac1L_3_TP4i.mzML; RAW_FILE_NAME=Pos_Valencia_Ac1L_3_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	1	Valencia_Ac1L_1_TP6i	Strain:Valencia | AcetateGroup:1L | TimePoint:TP5 | Time:39	F_ID=F107; RAW_FILE_NAME=Neg_Valencia_Ac1L_1_TP6i.raw; RAW_FILE_NAME=Pos_Valencia_Ac1L_1_TP6i.raw; RAW_FILE_NAME=Neg_Valencia_Ac1L_1_TP6i.mzML; RAW_FILE_NAME=Pos_Valencia_Ac1L_1_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	2	Valencia_Ac1L_2_TP6i	Strain:Valencia | AcetateGroup:1L | TimePoint:TP5 | Time:39	F_ID=F109; RAW_FILE_NAME=Neg_Valencia_Ac1L_2_TP6i.raw; RAW_FILE_NAME=Pos_Valencia_Ac1L_2_TP6i.raw; RAW_FILE_NAME=Neg_Valencia_Ac1L_2_TP6i.mzML; RAW_FILE_NAME=Pos_Valencia_Ac1L_2_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	3	Valencia_Ac1L_3_TP6i	Strain:Valencia | AcetateGroup:1L | TimePoint:TP5 | Time:39	F_ID=F111; RAW_FILE_NAME=Neg_Valencia_Ac1L_3_TP6i.raw; RAW_FILE_NAME=Pos_Valencia_Ac1L_3_TP6i.raw; RAW_FILE_NAME=Neg_Valencia_Ac1L_3_TP6i.mzML; RAW_FILE_NAME=Pos_Valencia_Ac1L_3_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	1	Valencia_Ac1_1_TP4i	Strain:Valencia | AcetateGroup:1 | TimePoint:TP3 | Time:23	F_ID=F100; RAW_FILE_NAME=Neg_Valencia_Ac1_1_TP4i.raw; RAW_FILE_NAME=Pos_Valencia_Ac1_1_TP4i.raw; RAW_FILE_NAME=Neg_Valencia_Ac1_1_TP4i.mzML; RAW_FILE_NAME=Pos_Valencia_Ac1_1_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	2	Valencia_Ac1_2_TP4i	Strain:Valencia | AcetateGroup:1 | TimePoint:TP3 | Time:23	F_ID=F102; RAW_FILE_NAME=Neg_Valencia_Ac1_2_TP4i.raw; RAW_FILE_NAME=Pos_Valencia_Ac1_2_TP4i.raw; RAW_FILE_NAME=Neg_Valencia_Ac1_2_TP4i.mzML; RAW_FILE_NAME=Pos_Valencia_Ac1_2_TP4i.mzML
SUBJECT_SAMPLE_FACTORS           	3	Valencia_Ac1_3_TP4i	Strain:Valencia | AcetateGroup:1 | TimePoint:TP3 | Time:23	F_ID=F104; RAW_FILE_NAME=Neg_Valencia_Ac1_3_TP4i.raw; RAW_FILE_NAME=Pos_Valencia_Ac1_3_TP4i.raw; RAW_FILE_NAME=Neg_Valencia_Ac1_3_TP4i.mzML; RAW_FILE_NAME=-
SUBJECT_SAMPLE_FACTORS           	1	Valencia_Ac1_1_TP6i	Strain:Valencia | AcetateGroup:1 | TimePoint:TP5 | Time:39	F_ID=F101; RAW_FILE_NAME=Neg_Valencia_Ac1_1_TP6i.raw; RAW_FILE_NAME=Pos_Valencia_Ac1_1_TP6i.raw; RAW_FILE_NAME=Neg_Valencia_Ac1_1_TP6i.mzML; RAW_FILE_NAME=Pos_Valencia_Ac1_1_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	2	Valencia_Ac1_2_TP6i	Strain:Valencia | AcetateGroup:1 | TimePoint:TP5 | Time:39	F_ID=F103; RAW_FILE_NAME=Neg_Valencia_Ac1_2_TP6i.raw; RAW_FILE_NAME=Pos_Valencia_Ac1_2_TP6i.raw; RAW_FILE_NAME=Neg_Valencia_Ac1_2_TP6i.mzML; RAW_FILE_NAME=Pos_Valencia_Ac1_2_TP6i.mzML
SUBJECT_SAMPLE_FACTORS           	3	Valencia_Ac1_3_TP6i	Strain:Valencia | AcetateGroup:1 | TimePoint:TP5 | Time:39	F_ID=F105; RAW_FILE_NAME=Neg_Valencia_Ac1_3_TP6i.raw; RAW_FILE_NAME=Pos_Valencia_Ac1_3_TP6i.raw; RAW_FILE_NAME=Neg_Valencia_Ac1_3_TP6i.mzML; RAW_FILE_NAME=Pos_Valencia_Ac1_3_TP6i.mzML
#COLLECTION
CO:COLLECTION_SUMMARY            	Time course experiments were conducted in tubes in the anaerobic chamber in a
CO:COLLECTION_SUMMARY            	37°C incubator. For all metabolomics experiments, three independent culture
CO:COLLECTION_SUMMARY            	replicates were included for each condition, with an equal number of
CO:COLLECTION_SUMMARY            	uninoculated control tubes. Starter cultures and inocula were prepared as
CO:COLLECTION_SUMMARY            	described above for growth assays. 5mLs of defined media was added to VWR glass
CO:COLLECTION_SUMMARY            	culture tubes (53283-800) with screw caps. The PBS-washed inoculum was added to
CO:COLLECTION_SUMMARY            	culture tubes to obtain an approximate starting OD600 of 0.001. A preliminary
CO:COLLECTION_SUMMARY            	growth assay was conducted to define time points spanning the exponential growth
CO:COLLECTION_SUMMARY            	phase in the tested conditions. At each time point, OD600 measurements of all
CO:COLLECTION_SUMMARY            	inoculated tubes were first measured using a Hach DR1900 spectrophotometer, with
CO:COLLECTION_SUMMARY            	a paired control tube to normalize for the background. 100 μL from each tube
CO:COLLECTION_SUMMARY            	were then transferred into a 96-well microplate, which was sealed and removed
CO:COLLECTION_SUMMARY            	from the anaerobic chamber. Plates were centrifuged at 1,928 rcf at 4°C for 8
CO:COLLECTION_SUMMARY            	minutes, after which supernatants were collected into fresh polypropylene tubes
CO:COLLECTION_SUMMARY            	or plates, sealed, and flash-frozen in liquid nitrogen. Two time course
CO:COLLECTION_SUMMARY            	experiments were carried out with stable isotope-labeled substrates.
CO:COLLECTION_SUMMARY            	Experimental groups included conditions in which sodium acetate in the defined
CO:COLLECTION_SUMMARY            	media was replaced with 13C2 labeled sodium acetate (Sigma-Aldrich 282014),
CO:COLLECTION_SUMMARY            	along with a matched experimental group with the same concentration of unlabeled
CO:COLLECTION_SUMMARY            	substrate. Intracellular extract samples were prepared with the following
CO:COLLECTION_SUMMARY            	procedure, which was optimized for lysis of thick gram-positive cell walls: 600
CO:COLLECTION_SUMMARY            	μL of culture was transferred to an Eppendorf tube in anaerobic conditions and
CO:COLLECTION_SUMMARY            	subsequently centrifuged at 10,000rcf for three minutes at 4°C, after which the
CO:COLLECTION_SUMMARY            	supernatant was removed and the samples were immediately flash frozen to quench
CO:COLLECTION_SUMMARY            	metabolites. 300 μL of cold methanol was then added to each pellet, followed by
CO:COLLECTION_SUMMARY            	sonication on ice for 5 minutes and then shaking at 4°C for 4-12 hours. Samples
CO:COLLECTION_SUMMARY            	were then centrifuged at 4°C at 15,000 rcf for 8 minutes, after which 120 μL
CO:COLLECTION_SUMMARY            	of supernatant was transferred to fresh tubes and stored at -80°C until
CO:COLLECTION_SUMMARY            	analysis.
CO:SAMPLE_TYPE                   	Bacterial culture supernatant
CO:COLLECTION_FREQUENCY          	at time points specified in study design table over 64 hours (full growth phase)
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	For growth and metabolomics experiments, glycerol stocks of the 3 E. lenta
TR:TREATMENT_SUMMARY             	strains were first streaked on BHI+ agar plates and incubated at 37°C for 2-3
TR:TREATMENT_SUMMARY             	days. Individual colonies were inoculated into 3-4 mL liquid BHI+ and incubated
TR:TREATMENT_SUMMARY             	at 37°C for 40-48 hours, or until approximately early stationary phase. Culture
TR:TREATMENT_SUMMARY             	optical density (600 nm wavelength absorbance, OD600) was measured using a Hach
TR:TREATMENT_SUMMARY             	DR1900 spectrophotometer. 1 mL samples of BHI starter cultures were then
TR:TREATMENT_SUMMARY             	centrifuged at 1,568 rcf for 4 minutes in a microcentrifuge (ThermoScientific
TR:TREATMENT_SUMMARY             	mySpin 12) in the anaerobic chamber and resuspended in 1 mL sterile
TR:TREATMENT_SUMMARY             	phosphate-buffered saline (PBS). The resulting suspension was vortexed and
TR:TREATMENT_SUMMARY             	diluted to an approximate OD600 of 0.1, and used as inoculum into defined
TR:TREATMENT_SUMMARY             	experimental conditions. Varying media conditions were prepared separately and
TR:TREATMENT_SUMMARY             	all allowed to fully reduce in the anaerobic chamber prior to inoculation.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Prior to analysis, intracellular samples were dried at room temperature via
SP:SAMPLEPREP_SUMMARY            	Centrivap Benchtop Concentrator (Labconco Corp.). Samples were re-suspended in
SP:SAMPLEPREP_SUMMARY            	60 μL of a chilled solution of 1:1 methanol and acetonitrile, with 24% water at
SP:SAMPLEPREP_SUMMARY            	-20oC containing the internal standards CUDA and VAL-TYR-VAL each at 60 ng/mL.
SP:SAMPLEPREP_SUMMARY            	Samples were centrifuged at 4°C, 4,122 rcf for 5 minutes and the supernatant
SP:SAMPLEPREP_SUMMARY            	transferred to a vial and immediately capped for LC-MS analysis.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Samples, sterile media, pools, and blanks were promptly added to a Thermo
CH:CHROMATOGRAPHY_SUMMARY        	Vanquish Autosampler at 4°C in a Vanquish UHPLC (Thermo Fisher Scientific,
CH:CHROMATOGRAPHY_SUMMARY        	Waltham, MA). Chromatographic separation was performed using an ACQUITY Bridged
CH:CHROMATOGRAPHY_SUMMARY        	Ethylene Hybrid (BEH) Amide column 2.1 x 150 mm, 1.7-micron particle size,
CH:CHROMATOGRAPHY_SUMMARY        	(Waters Corp. Milford, MA), using chromatographic conditions published elsewhere
CH:CHROMATOGRAPHY_SUMMARY        	(HILIC method described in the Supplementary Methods of
CH:CHROMATOGRAPHY_SUMMARY        	doi.org/10.1038/s41586-021-03707-9).
CH:INSTRUMENT_NAME               	Thermo Vanquish
CH:COLUMN_NAME                   	Waters ACQUITY UPLC BEH Amide (150 x 2.1mm,1.7um)
CH:COLUMN_TEMPERATURE            	40
CH:FLOW_GRADIENT                 	The gradient profile was held at 100% B for 2 minutes, from 100% B to 70% B in 5
CH:FLOW_GRADIENT                 	minutes, holding at 70% B for 0.7 minute, from 70% B to 40% B for 1.3 minutes,
CH:FLOW_GRADIENT                 	holding at 40% B for 0.5 minutes, from 40% B to 30% B for 0.75 minutes, before
CH:FLOW_GRADIENT                 	returning to 100% B for 2.5 minutes and holding at 100% B for 4 minutes.
CH:FLOW_RATE                     	400 μL per minute
CH:SOLVENT_A                     	100% water; 0.125% formic acid; 10 mM ammonium formate, pH 3
CH:SOLVENT_B                     	95% acetonitrile/5% water; 0.125% formic acid; 10 mM ammonium formate
CH:CHROMATOGRAPHY_TYPE           	HILIC
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive HF hybrid Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:MS_COMMENTS                   	Full MS-ddMS2 data was collected, an inclusion list was used to prioritize MS2
MS:MS_COMMENTS                   	selection of metabolites from our in-house ‘local’ library, when additional
MS:MS_COMMENTS                   	scan bandwidth was available MS2 was collected in a data-dependent manner. Mass
MS:MS_COMMENTS                   	range was 60-900 mz, resolution was 60k (MS1) and 15k (MS2), centroid data was
MS:MS_COMMENTS                   	collected, loop count was 4, isolation window was 1.5 Da. In SIRM samples,
MS:MS_COMMENTS                   	deuterated internal standards were replaced with CUDA and Val-Tyr-Val to enable
MS:MS_COMMENTS                   	untargeted enrichment analysis. LC-MS/MS analysis conditions for SIRM
MS:MS_COMMENTS                   	metabolomics were identical to those used for standard untargeted metabolomics.
MS:MS_COMMENTS                   	Intra- and extracellular untargeted data generated from SIRM experiments was
MS:MS_COMMENTS                   	analyzed separately using Compound Discoverer version 3.3 (Thermo Scientific,
MS:MS_COMMENTS                   	Bremen, Germany). Samples treated with labeled compounds were always paired with
MS:MS_COMMENTS                   	matched samples treated with unlabeled compounds in order to correct for
MS:MS_COMMENTS                   	naturally occurring isotope abundances. Unlabeled samples were used for compound
MS:MS_COMMENTS                   	detection and formula assignment via isotope pattern-based prediction, spectral
MS:MS_COMMENTS                   	library matches, or mass lists matches. The isotope patterns and formulas from
MS:MS_COMMENTS                   	the sample files then served as a reference for the detection of potential
MS:MS_COMMENTS                   	isotopologues per compound in the labeled sample type. A specification of the
MS:MS_COMMENTS                   	full Compound Discoverer workflow is available at
MS:MS_COMMENTS                   	https://github.com/turnbaughlab/2022_Noecker_ElentaMetabolism.
MS:ION_MODE                      	POSITIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	relative ion counts
MS_METABOLITE_DATA_START
Samples	2243_Ac0_1_TP4i	2243_Ac0_2_TP4i	2243_Ac0_3_TP4i	2243_Ac0_1_TP6i	2243_Ac0_2_TP6i	2243_Ac0_3_TP6i	2243_Ac10L_1_TP4i	2243_Ac10L_2_TP4i	2243_Ac10L_3_TP4i	2243_Ac10L_1_TP6i	2243_Ac10L_2_TP6i	2243_Ac10L_3_TP6i	2243_Ac10_1_TP4i	2243_Ac10_2_TP4i	2243_Ac10_3_TP4i	2243_Ac10_1_TP6i	2243_Ac10_2_TP6i	2243_Ac10_3_TP6i	2243_Ac1L_1_TP4i	2243_Ac1L_2_TP4i	2243_Ac1L_3_TP4i	2243_Ac1L_1_TP6i	2243_Ac1L_2_TP6i	2243_Ac1L_3_TP6i	2243_Ac1_1_TP4i	2243_Ac1_2_TP4i	2243_Ac1_3_TP4i	2243_Ac1_1_TP6i	2243_Ac1_2_TP6i	2243_Ac1_3_TP6i	AB8n2_Ac0_1_TP4i	AB8n2_Ac0_2_TP4i	AB8n2_Ac0_3_TP4i	AB8n2_Ac0_1_TP6i	AB8n2_Ac0_2_TP6i	AB8n2_Ac0_3_TP6i	AB8n2_Ac10L_1_TP4i	AB8n2_Ac10L_2_TP4i	AB8n2_Ac10L_3_TP4i	AB8n2_Ac10L_1_TP6i	AB8n2_Ac10L_2_TP6i	AB8n2_Ac10L_3_TP6i	AB8n2_Ac10_1_TP4i	AB8n2_Ac10_2_TP4i	AB8n2_Ac10_3_TP4i	AB8n2_Ac10_1_TP6i	AB8n2_Ac10_2_TP6i	AB8n2_Ac10_3_TP6i	AB8n2_Ac1L_1_TP4i	AB8n2_Ac1L_2_TP4i	AB8n2_Ac1L_3_TP4i	AB8n2_Ac1L_1_TP6i	AB8n2_Ac1L_2_TP6i	AB8n2_Ac1L_3_TP6i	AB8n2_Ac1_1_TP4i	AB8n2_Ac1_2_TP4i	AB8n2_Ac1_3_TP4i	AB8n2_Ac1_1_TP6i	AB8n2_Ac1_2_TP6i	AB8n2_Ac1_3_TP6i	Intra_BK_2	Intra_BK_3	Intra_BK_4	Intra_BK_5	Intra_BK_6	Intra_BK_7	Intra_BK_8	Intra_BK_9	c_Ac0_1_TP4i	c_Ac0_2_TP4i	c_Ac0_1_TP6i	c_Ac0_2_TP6i	c_Ac10L_1_TP4i	c_Ac10L_2_TP4i	c_Ac10L_1_TP6i	c_Ac10L_2_TP6i	c_Ac10_1_TP4i	c_Ac10_2_TP4i	c_Ac10_1_TP6i	c_Ac10_2_TP6i	c_Ac1L_1_TP4i	c_Ac1L_2_TP4i	c_Ac1L_1_TP6i	c_Ac1L_2_TP6i	c_Ac1_1_TP4i	c_Ac1_2_TP4i	c_Ac1_1_TP6i	c_Ac1_2_TP6i	Valencia_Ac0_1_TP4i	Valencia_Ac0_2_TP4i	Valencia_Ac0_3_TP4i	Valencia_Ac0_1_TP6i	Valencia_Ac0_2_TP6i	Valencia_Ac0_3_TP6i	Valencia_Ac10L_1_TP4i	Valencia_Ac10L_2_TP4i	Valencia_Ac10L_3_TP4i	Valencia_Ac10L_1_TP6i	Valencia_Ac10L_2_TP6i	Valencia_Ac10L_3_TP6i	Valencia_Ac10_1_TP4i	Valencia_Ac10_2_TP4i	Valencia_Ac10_3_TP4i	Valencia_Ac10_1_TP6i	Valencia_Ac10_2_TP6i	Valencia_Ac10_3_TP6i	Valencia_Ac1L_1_TP4i	Valencia_Ac1L_2_TP4i	Valencia_Ac1L_3_TP4i	Valencia_Ac1L_1_TP6i	Valencia_Ac1L_2_TP6i	Valencia_Ac1L_3_TP6i	Valencia_Ac1_1_TP4i	Valencia_Ac1_2_TP4i	Valencia_Ac1_3_TP4i	Valencia_Ac1_1_TP6i	Valencia_Ac1_2_TP6i	Valencia_Ac1_3_TP6i
Factors	Strain:2243 | AcetateGroup:0 | TimePoint:TP3 | Time:23	Strain:2243 | AcetateGroup:0 | TimePoint:TP3 | Time:23	Strain:2243 | AcetateGroup:0 | TimePoint:TP3 | Time:23	Strain:2243 | AcetateGroup:0 | TimePoint:TP5 | Time:39	Strain:2243 | AcetateGroup:0 | TimePoint:TP5 | Time:39	Strain:2243 | AcetateGroup:0 | TimePoint:TP5 | Time:39	Strain:2243 | AcetateGroup:10L | TimePoint:TP3 | Time:23	Strain:2243 | AcetateGroup:10L | TimePoint:TP3 | Time:23	Strain:2243 | AcetateGroup:10L | TimePoint:TP3 | Time:23	Strain:2243 | AcetateGroup:10L | TimePoint:TP5 | Time:39	Strain:2243 | AcetateGroup:10L | TimePoint:TP5 | Time:39	Strain:2243 | AcetateGroup:10L | TimePoint:TP5 | Time:39	Strain:2243 | AcetateGroup:10 | TimePoint:TP3 | Time:23	Strain:2243 | AcetateGroup:10 | TimePoint:TP3 | Time:23	Strain:2243 | AcetateGroup:10 | TimePoint:TP3 | Time:23	Strain:2243 | AcetateGroup:10 | TimePoint:TP5 | Time:39	Strain:2243 | AcetateGroup:10 | TimePoint:TP5 | Time:39	Strain:2243 | AcetateGroup:10 | TimePoint:TP5 | Time:39	Strain:2243 | AcetateGroup:1L | TimePoint:TP3 | Time:23	Strain:2243 | AcetateGroup:1L | TimePoint:TP3 | Time:23	Strain:2243 | AcetateGroup:1L | TimePoint:TP3 | Time:23	Strain:2243 | AcetateGroup:1L | TimePoint:TP5 | Time:39	Strain:2243 | AcetateGroup:1L | TimePoint:TP5 | Time:39	Strain:2243 | AcetateGroup:1L | TimePoint:TP5 | Time:39	Strain:2243 | AcetateGroup:1 | TimePoint:TP3 | Time:23	Strain:2243 | AcetateGroup:1 | TimePoint:TP3 | Time:23	Strain:2243 | AcetateGroup:1 | TimePoint:TP3 | Time:23	Strain:2243 | AcetateGroup:1 | TimePoint:TP5 | Time:39	Strain:2243 | AcetateGroup:1 | TimePoint:TP5 | Time:39	Strain:2243 | AcetateGroup:1 | TimePoint:TP5 | Time:39	Strain:AB8n2 | AcetateGroup:0 | TimePoint:TP3 | Time:23	Strain:AB8n2 | AcetateGroup:0 | TimePoint:TP3 | Time:23	Strain:AB8n2 | AcetateGroup:0 | TimePoint:TP3 | Time:23	Strain:AB8n2 | AcetateGroup:0 | TimePoint:TP5 | Time:39	Strain:AB8n2 | AcetateGroup:0 | TimePoint:TP5 | Time:39	Strain:AB8n2 | AcetateGroup:0 | TimePoint:TP5 | Time:39	Strain:AB8n2 | AcetateGroup:10L | TimePoint:TP3 | Time:23	Strain:AB8n2 | AcetateGroup:10L | TimePoint:TP3 | Time:23	Strain:AB8n2 | AcetateGroup:10L | TimePoint:TP3 | Time:23	Strain:AB8n2 | AcetateGroup:10L | TimePoint:TP5 | Time:39	Strain:AB8n2 | AcetateGroup:10L | TimePoint:TP5 | Time:39	Strain:AB8n2 | AcetateGroup:10L | TimePoint:TP5 | Time:39	Strain:AB8n2 | AcetateGroup:10 | TimePoint:TP3 | Time:23	Strain:AB8n2 | AcetateGroup:10 | TimePoint:TP3 | Time:23	Strain:AB8n2 | AcetateGroup:10 | TimePoint:TP3 | Time:23	Strain:AB8n2 | AcetateGroup:10 | TimePoint:TP5 | Time:39	Strain:AB8n2 | AcetateGroup:10 | TimePoint:TP5 | Time:39	Strain:AB8n2 | AcetateGroup:10 | TimePoint:TP5 | Time:39	Strain:AB8n2 | AcetateGroup:1L | TimePoint:TP3 | Time:23	Strain:AB8n2 | AcetateGroup:1L | TimePoint:TP3 | Time:23	Strain:AB8n2 | AcetateGroup:1L | TimePoint:TP3 | Time:23	Strain:AB8n2 | AcetateGroup:1L | TimePoint:TP5 | Time:39	Strain:AB8n2 | AcetateGroup:1L | TimePoint:TP5 | Time:39	Strain:AB8n2 | AcetateGroup:1L | TimePoint:TP5 | Time:39	Strain:AB8n2 | AcetateGroup:1 | TimePoint:TP3 | Time:23	Strain:AB8n2 | AcetateGroup:1 | TimePoint:TP3 | Time:23	Strain:AB8n2 | AcetateGroup:1 | TimePoint:TP3 | Time:23	Strain:AB8n2 | AcetateGroup:1 | TimePoint:TP5 | Time:39	Strain:AB8n2 | AcetateGroup:1 | TimePoint:TP5 | Time:39	Strain:AB8n2 | AcetateGroup:1 | TimePoint:TP5 | Time:39	Strain:- | AcetateGroup:- | TimePoint:- | Time:-	Strain:- | AcetateGroup:- | TimePoint:- | Time:-	Strain:- | AcetateGroup:- | TimePoint:- | Time:-	Strain:- | AcetateGroup:- | TimePoint:- | Time:-	Strain:- | AcetateGroup:- | TimePoint:- | Time:-	Strain:- | AcetateGroup:- | TimePoint:- | Time:-	Strain:- | AcetateGroup:- | TimePoint:- | Time:-	Strain:- | AcetateGroup:- | TimePoint:- | Time:-	Strain:c | AcetateGroup:0 | TimePoint:TP3 | Time:23	Strain:c | AcetateGroup:0 | TimePoint:TP3 | Time:23	Strain:c | AcetateGroup:0 | TimePoint:TP5 | Time:39	Strain:c | AcetateGroup:0 | TimePoint:TP5 | Time:39	Strain:c | AcetateGroup:10L | TimePoint:TP3 | Time:23	Strain:c | AcetateGroup:10L | TimePoint:TP3 | Time:23	Strain:c | AcetateGroup:10L | TimePoint:TP5 | Time:39	Strain:c | AcetateGroup:10L | TimePoint:TP5 | Time:39	Strain:c | AcetateGroup:10 | TimePoint:TP3 | Time:23	Strain:c | AcetateGroup:10 | TimePoint:TP3 | Time:23	Strain:c | AcetateGroup:10 | TimePoint:TP5 | Time:39	Strain:c | AcetateGroup:10 | TimePoint:TP5 | Time:39	Strain:c | AcetateGroup:1L | TimePoint:TP3 | Time:23	Strain:c | AcetateGroup:1L | TimePoint:TP3 | Time:23	Strain:c | AcetateGroup:1L | TimePoint:TP5 | Time:39	Strain:c | AcetateGroup:1L | TimePoint:TP5 | Time:39	Strain:c | AcetateGroup:1 | TimePoint:TP3 | Time:23	Strain:c | AcetateGroup:1 | TimePoint:TP3 | Time:23	Strain:c | AcetateGroup:1 | TimePoint:TP5 | Time:39	Strain:c | AcetateGroup:1 | TimePoint:TP5 | Time:39	Strain:Valencia | AcetateGroup:0 | TimePoint:TP3 | Time:23	Strain:Valencia | AcetateGroup:0 | TimePoint:TP3 | Time:23	Strain:Valencia | AcetateGroup:0 | TimePoint:TP3 | Time:23	Strain:Valencia | AcetateGroup:0 | TimePoint:TP5 | Time:39	Strain:Valencia | AcetateGroup:0 | TimePoint:TP5 | Time:39	Strain:Valencia | AcetateGroup:0 | TimePoint:TP5 | Time:39	Strain:Valencia | AcetateGroup:10L | TimePoint:TP3 | Time:23	Strain:Valencia | AcetateGroup:10L | TimePoint:TP3 | Time:23	Strain:Valencia | AcetateGroup:10L | TimePoint:TP3 | Time:23	Strain:Valencia | AcetateGroup:10L | TimePoint:TP5 | Time:39	Strain:Valencia | AcetateGroup:10L | TimePoint:TP5 | Time:39	Strain:Valencia | AcetateGroup:10L | TimePoint:TP5 | Time:39	Strain:Valencia | AcetateGroup:10 | TimePoint:TP3 | Time:23	Strain:Valencia | AcetateGroup:10 | TimePoint:TP3 | Time:23	Strain:Valencia | AcetateGroup:10 | TimePoint:TP3 | Time:23	Strain:Valencia | AcetateGroup:10 | TimePoint:TP5 | Time:39	Strain:Valencia | AcetateGroup:10 | TimePoint:TP5 | Time:39	Strain:Valencia | AcetateGroup:10 | TimePoint:TP5 | Time:39	Strain:Valencia | AcetateGroup:1L | TimePoint:TP3 | Time:23	Strain:Valencia | AcetateGroup:1L | TimePoint:TP3 | Time:23	Strain:Valencia | AcetateGroup:1L | TimePoint:TP3 | Time:23	Strain:Valencia | AcetateGroup:1L | TimePoint:TP5 | Time:39	Strain:Valencia | AcetateGroup:1L | TimePoint:TP5 | Time:39	Strain:Valencia | AcetateGroup:1L | TimePoint:TP5 | Time:39	Strain:Valencia | AcetateGroup:1 | TimePoint:TP3 | Time:23	Strain:Valencia | AcetateGroup:1 | TimePoint:TP3 | Time:23	Strain:Valencia | AcetateGroup:1 | TimePoint:TP3 | Time:23	Strain:Valencia | AcetateGroup:1 | TimePoint:TP5 | Time:39	Strain:Valencia | AcetateGroup:1 | TimePoint:TP5 | Time:39	Strain:Valencia | AcetateGroup:1 | TimePoint:TP5 | Time:39	
Pos_1-Methyl-1_3-dihydro-2H-benzimidazole-2-thione_164.04082_165.048_1.195_ExRate0				137182743.0000	237886990.2000	188220004.1000	132436556.3000	14538863.2500	152276166.9000	19037250.3100	101988141.0000	73669333.9300				148168227.6000	275248.9837	108616597.5000	124747169.0000	116355926.9000	173653944.8000			21894709.8300		201203208.1000	28742208.4100	248294871.4000	109296824.1000	166896192.6000				245656812.7000	224443480.3000		65838068.0800	136232139.7000	58748903.6000	68772148.2500	16145530.5600	83353850.5700				171223430.0000	148845836.7000	161613074.1000	163576980.5000	128643455.4000	58008595.6000				128347233.4000	117742360.5000	24995215.4500	190208082.1000	153005645.4000	136770294.1000											156420279.2000	243517.6032	111810937.3000	307129975.5000	45294279.1500	127769533.7000			140421395.1000	76345816.1900	12136541.3900	103939796.8000	70117987.0700		3000367.9060		2701471.8310	531129297.1000				330016.4698	215230671.6000	161644206.3000	249100732.1000	116966099.6000	106431035.7000	86070326.4600	49337633.3100	107661302.5000				197011164.0000	81026334.9900	232042690.3000	215038969.6000	89048902.9400	169288565.5000	28805688.3800	66145448.8300	4621258.1080		25582209.2900	47239022.5100	182229454.5000	135843849.3000	333672914.5000
Pos_1-Methyl-1_3-dihydro-2H-benzimidazole-2-thione_164.04082_165.048_1.195_ExRate1																																																																																																																		53569.6292				
Pos_1-Methyl-1_3-dihydro-2H-benzimidazole-2-thione_164.04082_165.048_1.195_ExRate2					640845.0626	237484.3764																						516632.4603		202258.6168				385546.1001	373438.7953											156739.9283	118731.1291	217054.7551		154755.3940									130007.6109												387002.7544			689204.5226														1207148.3400					146764.3877		447098.7228									282996.2038		273044.5730			125868.4218							274910.1048		396582.2999
Pos_3-(2-methylpropyl)-octahydropyrrolo[1_2-a]pyrazine-1_4-dione_210.13683_211.144_6.261_ExRate0				17543189.6400	17655782.0800	79560703.3000				3728301.8800	29572589.1700	12687937.6100				5448947.7110	14288803.2100	8743023.2770				8014406.0100	8431112.6820	4721247.6790		163396.8381		7069527.1280	30928713.5400	41535401.9400				5615938.7240	28278287.0500	2896152.8640				21497543.8200	6114764.6120	8127853.5760				10346502.7900	11351826.8400	17881138.7500				6353619.2930	14662929.9900	13924066.2600				5880645.6490	22343492.1300	23128053.1900																				23622469.0100			173543.2720				117793.1670	296705.4033				10594431.5100	1396215.6520	25188602.6800				4760665.2680	41836730.6800	11882307.7800				8499098.7770	4982185.0220	4855056.7490				32378051.3500	9075301.9560	29374809.7800				30810175.2800	4108160.8790	13015940.0300
Pos_3-(2-methylpropyl)-octahydropyrrolo[1_2-a]pyrazine-1_4-dione_210.13683_211.144_6.261_ExRate10									56241.1463																																																																																						46072.0249																							
Pos_3-(2-methylpropyl)-octahydropyrrolo[1_2-a]pyrazine-1_4-dione_210.13683_211.144_6.261_ExRate2						303501.5978																								159813.7144																														59028.0897																																		85459.6530					121508.4373																			
Pos_3-(2-methylpropyl)-octahydropyrrolo[1_2-a]pyrazine-1_4-dione_210.13683_211.144_6.261_ExRate3					177.8335			113.2297																													108.3658																																					137.3996																																												
Pos_3-(2-methylpropyl)-octahydropyrrolo[1_2-a]pyrazine-1_4-dione_210.13683_211.144_6.261_ExRate4					341082.8639			217173.4055																													207844.4441																																					263530.9944																																												
Pos_4-Guanidinobutyric acid_145.08513_146.0922_7.674_ExRate0	1167714.2580	658988.7261	1046150.9170	297111891.0000	288984172.6000	248164645.4000	3448310.6860	1051736.7170	3030896.8510	53378480.3100	593436743.2000	273519090.7000	4461326.4670	2608938.5800	2793556.3930	161216680.3000	197048291.4000	111168671.5000	2185799.3230	9311796.7380	1986413.2800	762937792.2000	134994431.6000	111264544.4000	1045011.0000	16517659.7100	950941.1256	200765349.9000	537167395.6000	218581328.4000	2422247.5370	2771546.8240	1304113.9550	145142245.7000	161561983.9000	52586222.8000	2186635.0880	3448533.2310	3254607.2290	257865587.4000	111809271.6000	154633866.4000	5599693.4870	2907594.8770	3152111.1450	94152703.3800	185138880.4000	114360336.0000	3401951.0290	6385052.8120	3539178.9020	107722627.9000	178749242.1000	189327818.1000	3267954.9990	3585657.9410	2228895.8980	133662046.3000	346166416.6000	397578530.0000	1118609.3830	260445.8396	566698.6723	543393.4902	737638.8932	580685.3994	1275358.9320	632835.0278	688928.5755	4583417.8430	577204256.8000	307653140.1000	3148232.9140	2370318.6560	726400837.5000	186465221.6000	1259587.3270	2357591.8330	790610770.1000	933474749.8000	1037379.7400	3217233.2900	833891707.0000	810516122.2000	7651194.2960	2791900.2550	225248525.7000	612355160.9000	2993704.9660	4493379.8580	1282155.0770	211872243.1000	63061904.4900	520645372.9000	3249211.4480	2038163.5430	1106390.0890	164295914.8000	433789640.6000	982651029.4000	7991097.1880	4723436.4910	3616527.4250	186163205.7000	130380878.4000	66879096.1400	2426005.5260	2761760.5670	4849675.1720	396810932.9000	210985801.4000	409749224.7000	2216344.1250	1504331.3640	1164365.8860	607706902.4000	128023811.4000	98682404.4900
Pos_4-Guanidinobutyric acid_145.08513_146.0922_7.674_ExRate1																																			24147.9538					309295.8391																																							264643.7196																																							
Pos_4-Guanidinobutyric acid_145.08513_146.0922_7.674_ExRate2						53243.5103						45943.9553																												47112.4097																																																																														
Pos_4-IMIDAZOLEACETIC ACID__PRJKNHOMHKJCEJ-UHFFFAOYSA-N_126.04293_127.0501_7.992_ExRate0				2655086.3340	2542969.6420	536639.7623	51706.1357	36269.1521		633829.3312	6388995.3670	2560864.1220				1351038.0500	2122019.9940	238600.5415	27118.8545	43737.7611		10548827.1300	1443660.1810	1349334.1520		236158.1414		1726964.8710	4792892.5820	580915.3665			28247.9981	1757560.4990	758435.4436	24155.9699	34095.7666	54215.1376		3306224.1670	1331487.9760	1728039.6880	59026.2438			281276.1694	2006793.0180	377243.9581		99711.8409	38108.2850	1359435.8970	2214842.8260	2098235.7790				1472417.5540	2137786.7200	2208778.7560										32320.2931	2652110.2470	923311.0282			6864782.5710	1279651.9610			6184863.3140	4743138.8250			7416813.4680	5088884.2530	33332.7903		377694.1356	1163501.2770	33458.5344			2122123.7030	735859.5430	2381700.8790	67396.8967			1821749.6500	4356862.3520	15788726.2000	87949.8015	44362.2372		1804401.8170	1200536.6900	124887.4488			45185.4967	3687425.0220	2042632.2760	3382505.6900				5378338.5850	1333978.4320	292488.1826
Pos_Acetylarginine_216.12224_217.1293_8.109_ExRate0			121411.4794	2592161.4280	2396948.5560	2620626.3920			93354.8641	775285.5195	5679963.9900	1786568.9100	387622.6232	177048.3821	394084.6577	5969424.6760	5363132.5330	8084597.7130		124609.5440		4754015.6670	1130781.5440	1018449.3720		1117320.3750		1686306.1310	4376958.2090	3829452.7200				1198326.2370	2238454.6150	857744.3854		105486.3404	181783.0191	1262770.5600	661387.0530	748028.4957	664974.5502	429010.6204	486520.5626	7469629.6540	12248882.1200	6767273.9220		396297.8204	102111.5718	569669.2534	766244.9808	841622.2321		57616.1915	310550.8447	941239.0404	5483924.3270	7966610.9690										373932.4205	3251144.0070	1880405.4200		63306.2273	4143751.1430	1797647.9500			4062390.6580	18389342.4800			8949755.0230	3659635.8900	1081435.7290	1036380.1560	4321959.3730	7028030.8230	287464.9416	169193.2486	73009.4051	2480691.4650	1189572.9530	7778297.1850	113401.9691	95191.5627		1594662.8490	3477651.3200	10944319.7900	1530419.1710	514045.9317	909249.7366	16029531.4700	6502643.7290	10917795.1300		82289.4854	244380.5396	2845451.9730	1538225.7750	3053334.2610	109983.3638			5301548.0620	1523121.7570	1523527.2350
Pos_Acetylarginine_216.12224_217.1293_8.109_ExRate1						6833.2288					219092.6600	53423.0930										5392.9319						2104.9722												56666.3681		37859.0712			36685.9795																																																					153475.2825	78784.6554	348603.3439																		
Pos_Acetylarginine_216.12224_217.1293_8.109_ExRate2										620214.2127	14067236.5200	3652968.0330										1234824.9920	400690.2987	348029.2711																4045303.7530	2690521.5480	3656860.3000										158779.2740	144962.7681	258674.6195																					1491745.9950	176741.2996							391060.0077	50794.4069														6457514.9990	7992644.2660	27512243.2300										409823.1660	371921.1825	642090.6937						
Pos_Acetylarginine_216.12224_217.1293_8.109_ExRate3																						2293.4400																																																																												4585.7634																				
Pos_Adenosine_267.09675_268.1038_5.004_ExRate0				5526055.1810	4775173.5360	5448285.1360				344176.5259	6206340.1970	2791085.2650	345462.2779	153947.1981	548478.8309	1871448.1900	3001520.7380	2552877.0440		432839.2297		9986385.3930	1262760.9750	1491328.7880		1215914.9830		3371767.8420	6298919.9940	6785635.4960	399057.6025		143490.8846	9264038.7170	2495724.6610	2683133.1490				513011.7889	176184.8547	536848.3461	430985.5687	835270.4028	244167.4992	599848.9350	1356624.7960	828580.6232		383526.0978		780658.0709	848187.1088	1081369.4000		727729.2071	600802.5036	970331.0756	2126922.8680	14632933.3000															780365.7700					19620522.0200											60704.9219	3675436.7670	2750449.6250	13757511.7500				2170295.1470	5007112.0910	14419400.2200	288401.5923	277115.4445	407628.7457	4292473.2400	2071312.5460	2442771.6810			674558.1019	4406658.0440	4543534.7800	3043204.3690	503692.8306			6489669.6360	2041226.2850	5299626.2130
Pos_Adenosine_267.09675_268.1038_5.004_ExRate1							0.2689															122189.8494															126.5911	89.8530																																																									239.1948			681599.4404													967521.8388							
Pos_Adenosine_267.09675_268.1038_5.004_ExRate2							356889.8749				920487.3253	160516.6036								409321.3330		1117578.5480	251826.7849	290206.8488													158935.6397	112810.8019												321988.2682		256538.8954	66128.1228	208420.1237																																									300310.0879			5059484.5190	181526.0106	704209.6724									1107566.6390	562523.1798	5359098.9750	850265.1164						
Pos_Adenosine_267.09675_268.1038_5.004_ExRate3							35808.6042				407289.4135									106504.3352		288386.1950																																																																												2247228.4770		299042.2613									207274.0146	33402.4641	1370880.6940	157426.7949						
Pos_Adenosine_267.09675_268.1038_5.004_ExRate4							82963.6027				491273.0099											199127.5834																																																																												1866662.3020		364176.7144									169717.1988		975740.9653							
Pos_Adenosine_267.09675_268.1038_5.004_ExRate5											51418.6851																																																																																							558067.5303													42079.0509							
Pos_Adenosine_267.09675_268.1038_5.004_ExRate6																																																																																																		45824.0090																				
Pos_Agmatine_130.12185_131.1291_8.897_ExRate0	41105.7988		66900.0188	4669470.9030	4834531.0820	2217407.0950	48121.5258		67521.6775	1471109.7370	9049654.5560	3468998.1530	95642.1498			1970494.6520	1965761.4220	690878.2601	83652.6662	112285.2106	91535.2728	11119870.0100	1267503.4380	1020376.3540		533558.0800		1745168.5380	8602450.5310	1624559.0710	61762.1397	59255.3413	36981.8161	1639965.6760	1835698.1100	361032.5661	37767.1065			2711033.1240	1060805.3130	1336956.5670	39350.8848	34933.7862	30614.3162	394308.2358	1697462.9370	696275.9428	106217.9458	126177.5278	77948.3375	823223.7692	1995098.0690	2028557.9470		58561.4680	27682.6351	1383907.3970	2167203.2370	2558591.4840										29311.2755	12837634.8100	16112668.3300		24925.1762	23630707.7000	4754998.7790			22231623.7400	36544373.1900		55246.6143	34718718.2300	30980470.9300	65602.1161		7639468.9100	31325471.5100	37451.7092	72976.4617	38706.6774	2876482.7590	801513.1053	4871546.4750	76820.0395	35119.0822		2190971.1430	6505359.9660	17429875.1000	133745.0169			2404688.8050	1098284.3390	276164.1229		84244.6006	99211.4766	5600103.1410	2322952.0040	5418526.4200	48204.5652			9587180.4170	1177190.6970	519928.4249
Pos_[Alanine_[M+H]+_QNAYBMKLOCPYGJ-REOHCLBHSA-N]_89.04768_90.0549_8.107_ExRate0	1082308.6350	645935.6947	240078.0167	1849700.9770	769853.8787	1528878.0970		1995923.5070	331161.6477	555130.4946	1805123.3000	1626348.7000	1059933.7660	439365.8026	379220.5880	1464410.1240	1443758.9060	1497181.1020	762614.7604	984220.3165	756016.0636	3954540.8180	2083509.3710	1436064.4360	532595.5065	928781.1006	646041.9124	1545575.1150	3646101.4140	2993018.6430	201219.6046	1108692.8200	705849.2152	688194.2773	1151266.1640	1010727.4090	552790.4606	1273432.7890	3342971.1240	1135969.2220	865722.6631	901345.9596	1000881.7210	923937.8153	496385.5368	1259636.4860	879770.4829	1395853.8350	848534.4441	798193.1158	467379.2197	836291.4888	1249870.2350	681331.4194	748064.8489	983826.4651	919141.3817	1032550.9840	2812321.9460	3393302.3450	723553.7104	509821.2249	488527.6250	2182680.4380	401885.5013	645311.2510	292020.2921	1112480.1830	99044.6325	351324.4839	1722818.1080	2220309.3530	684549.9198	547121.5509	3371931.5120	885119.9701	428513.8833	282467.2628	2877131.5940	4405880.9940	330797.9551	718878.9631	3648207.6130	2450653.6170	1286364.6330	1680877.6380	1542300.9090	2719060.6490	324160.2953	1075086.2930	542331.9614	1277810.6310	793031.2616	2836584.0670	631819.6168	1083961.9520	1101646.8700	783949.4097	939620.2100	2211260.8600	5309961.6230	429951.9659	446251.7175	1055783.5080	921394.9018	993269.7348	1012686.6840	639439.1107	410220.0910	1156116.7580	1383668.3650	2291772.2230	4938926.1080	350259.7843	1171054.0070	2550284.8170	1247091.3820	1400381.5890
Pos_[Alanine_[M+H]+_QNAYBMKLOCPYGJ-REOHCLBHSA-N]_89.04768_90.0549_8.107_ExRate1																																																																																																				17972.6771																		
Pos_[Alanine_[M+H]+_QNAYBMKLOCPYGJ-REOHCLBHSA-N]_89.04768_90.0549_8.107_ExRate2									42298.4848	97933.9527	1584229.6810	882426.2568							31347.5048	118755.9132	98668.4383	1618572.4490	603400.6526	502944.5154																261714.7269	147984.6507	208140.0775							57503.6215			73977.2444	163110.0216	137862.0707																																												374286.7726	677220.5014	1925489.6620										566265.8505	410840.7432	504570.5058						
Pos_Choline_103.09971_104.1069_5.175_ExRate0	4429038.3620	1883517.6340	3356178.6620	4999532.8360	4496222.4110	6163728.0000	2308457.0920	2409223.7800	3090179.3600	5302441.0630	5604759.0960	3691151.4690	3003063.3800	3076098.0040	3713379.6310	5894986.9580	7675168.2680	4879131.6640	4884081.9550	18982665.7600	3331508.0840	4339089.3650	2568000.6440	5876546.2920	3332426.9510	5207515.4250	2871298.8340	8975028.5630	4772665.8110	3313323.4760	5234496.6970	5739976.0370	4497163.1050	4219623.5730	3808655.9890	2115008.2770	2841980.5410	5330164.1890	6059368.7930	3040987.4590	21908689.6400	6944828.8720	4942916.2530	4942459.4480	5209630.7270	6246720.0700	3094530.0930	5264839.7630	7912230.1170	5542164.5980	6418897.5030	4094455.3690	3815310.4330	3643779.8660	6151260.5170	4090183.6560	2586416.1780	5513553.6760	4962921.7410	6346474.6240	1501284.2970	1125105.1540	2093002.1640	1112925.8110	742671.0963	1356266.1310	401701.8262	725681.2977	5523626.6590	2157922.0960	12019446.3100	4088316.7470	2927166.0120	1992375.4940	3090497.2570	4706838.2520	3330673.7810	1776940.2410	4129012.0230	3768871.1450	2264249.4260	4121180.4590	9503774.9230	7062651.6190	6380803.8220	1969239.6390	4385731.1910	16970469.1900	4589050.1900	4335242.5010	5028314.0330	3907765.1230	5583155.0120	1982353.0480	5975702.1660	4227729.4320	4414001.2990	3502041.9710	2983366.4510	2756554.6810	3861486.1710	2778331.9000	2963666.5380	4224188.5910	4051564.3580	2677963.8140	3608721.4750	4469020.7500	2158205.8160	4685543.8850	34484014.0400	3574797.0890	2944330.8000	3005905.7330	4443993.4500	4247388.1950	2394560.9980	5974768.8360
Pos_DL-Arginine_174.11168_175.1186_9.478_ExRate0	75458867.9800	14254508.9000	433207746.2000	9292979782.0000	8699698046.0000	8474864936.0000	548265537.5000	96994924.6000	598615116.0000	7303848583.0000	10749064407.0000	8253627643.0000	986449066.6000	468719002.4000	1060386212.0000	6154134028.0000	6476502058.0000	6982865775.0000	247988432.1000	682415243.4000	164509350.2000	10050925856.0000	5641632372.0000	4885762469.0000	135369034.8000	3134211730.0000	196081661.4000	6177813713.0000	11131822196.0000	9715673403.0000	224736476.8000	56163468.2100	196475510.6000	7043583231.0000	11544953779.0000	6275441788.0000	263106855.6000	605811846.3000	745330057.5000	6346231557.0000	3426547358.0000	4700597860.0000	1133803077.0000	1032416263.0000	1308565420.0000	5252289774.0000	5427785258.0000	6066299697.0000	448054548.2000	1549374851.0000	879353297.1000	4096351172.0000	4816608782.0000	4589107758.0000	16970497.3300	430141957.7000	1041166887.0000	4193047444.0000	9247510092.0000	10402397099.0000	1032864.9240	3353720.6430	1360886.5400	2148715.7610	69539986.0700	65156788.4700	27637919.7600	44372056.3400	74443253.5700	846355875.9000	9748281192.0000	6735155012.0000	643919601.4000	610282182.1000	8906282455.0000	7773065244.0000	101309631.8000	336853216.1000	7988282252.0000	17034723748.0000	146792811.8000	545039613.8000	11349425380.0000	8044740933.0000	1345424995.0000	931960067.3000	8713991274.0000	6615178980.0000	524679242.5000	655272555.4000	230503583.7000	9783576117.0000	5914427265.0000	7237245222.0000	611921108.2000	237017355.1000	13406742.9800	6138296334.0000	10474718042.0000	11929541919.0000	1716352084.0000	837900052.7000	1755812428.0000	6985268919.0000	5467244364.0000	5341808186.0000	324768229.8000	656752200.8000	1239139130.0000	9283239756.0000	6780049386.0000	10428453718.0000	228400626.0000	92704614.7200	246106102.0000	11341462529.0000	5108801200.0000	6185732176.0000
Pos_DL-Glutamine_146.06914_147.0763_8.666_ExRate0	279881.8296	45970.0597	638151.1700	45210626.3500	45040207.2600	32268402.9000	1094258.1590	50145.1378	1020556.3310		30328867.7400	19543701.1500	3993340.0980	3906577.5240	3232562.3370	60952625.6800	96409685.8400	84223755.3600	707857.0769	1171233.9000	1306940.9070	39593348.3600	37781154.7700	28042547.7900	905005.8821	4448798.1020	486369.4487	110871635.8000	85548656.5600	83996099.0800	1132550.8230	963473.6373	962977.2054	64476768.4600	28579213.0300	23585002.9900	1518162.4020	1985294.2390	1483980.9130	32278520.6800	12012515.5100	19874746.5000	3763460.6130	2099019.3390	1776479.6060	63515469.0600	84844872.6200	84989866.2600	1226582.8940	1943152.7900	712111.3620				33990.9097	854762.9365	779395.8259	71603732.9300	45523803.0500	82953876.3000											461177.7814	258155.1227			657128.9021	139939.4209			305903.4875	8029192.2910			1140870.2040	203050.6168			378441.5102	1042612.3980	640011.4292	1003936.4080	423741.4333	20986234.9300	19157957.9600	11384952.8900	1033234.5700	885333.1486	767273.8155	16840478.2000	15081749.6600	34552369.1700	2314118.7570	3088052.1630	1720535.4710	55365389.7000	61814851.0000	47756682.9900	195353.4250	396042.5670	432583.5010	24047429.5900	24507121.0000	22777700.7000	1710671.0040	507997.7349	231008.4782	77810607.3000	65588412.8700	45958834.0800
Pos_DL-Glutamine_146.06914_147.0763_8.666_ExRate1					304383.1076						192897.5394	81878.2424										709189.1925	781932.1489	712712.6658																390891.8440	138560.5005	292367.0428																	582319.1986																																			32030.1429				455969.3472	7121.2973	21168.2349				416135.7485						706595.5850	567041.9750	1096477.1470				551544.1566		
Pos_DL-Glutamine_146.06914_147.0763_8.666_ExRate2							735224.3847	33683.3365	609945.6796		20610975.3600	18080422.2600							830783.8528	1224938.7590	1357026.0430	32335105.7500	39883094.3900	31557931.8900													570056.6282	726319.2187	496068.8047	36364064.8900	21490186.2100	22924180.4600							514709.0845	901934.7263	364711.0430																																												313665.5938	318556.9528	234109.2912	17601218.3900	9069188.1380	19888057.3900							77173.3881	217320.7740	280447.0026	23535443.6000	32105317.1400	20910750.7300						
Pos_DL-Glutamine_146.06914_147.0763_8.666_ExRate3							63572.5958		48756.6924		3379661.9020	1758615.6310								29881.2189	11965.6654	1558133.7040	1056989.7720	995118.6617														13251.7084		1273878.0350	784633.3749	767386.7853																																																								1579330.0030	841889.5760	2058680.5980										1177595.9760	684200.4659	819294.0046						
Pos_DL-Glutamine_146.06914_147.0763_8.666_ExRate4							2500809.5410	156394.8387	2447581.8660		64118699.1600	40881185.9600							1149366.1550	1902561.6960	1865396.2070	22236068.1100	23910038.0200	20330924.0900													1240670.8930	1687479.6770	1081738.9100	27648895.9000	24153354.7800	24272271.3100							442945.5991	804039.4658	340576.4014																								113591.7923																				1491267.7360	1281217.4410	1214874.2760	34709419.2200	24695192.5400	58000592.4200							202232.0891	418337.0626	421159.6439	16650366.3800	15727401.2700	14058469.0400						
Pos_DL-Glutamine_146.06914_147.0763_8.666_ExRate5											864824.5032	542604.6201										61313.7585	147216.4481	109506.4949																395827.2301	114786.6443	146133.6331																																																								461519.6844	217633.1913	460423.6855										139289.1528	131889.1343	89441.8558						
Pos_DL-Homoserine_119.05824_120.0654_8.285_ExRate0	5182483.0040	13479010.1700	4535329.7830	349475544.3000	340227233.9000	389300718.9000	4328579.9560	1390749.0900	3746225.5280	70714785.4100	587162450.2000	320552040.0000	6784240.7020	4257307.2560	8757762.2570	174262586.7000	225289021.3000	239596937.3000	2858993.1520	5789387.3810	2959344.6160	693772649.1000	184976734.9000	138299170.2000	2014799.5090	26709237.6000	2654455.7360	212161183.5000	488338800.7000	395937866.4000	3492911.6760	5701422.9980	3306218.9530	231684119.5000	336745246.8000	144675728.9000	2770181.6630	6683128.5120	4696516.1160	354935017.9000	140199711.6000	206400807.5000	10124220.5100	8196008.3770	9373132.4930	227500771.7000	245665767.5000	287251978.7000	4866897.2650	11880919.8500	6150184.6400	151910544.6000	258462149.1000	249141302.9000	1992373.2910	4855332.5760	6522308.8190	193237805.3000	720046887.9000	766023362.7000	843467.8653	673325.8903	924470.8737	422539.9810	996972.7759	1091902.5440	852253.9046	611655.5902	1906658.7680	6645046.6860	343820435.5000	640294048.1000	3849286.5900	2906264.3000	867337799.9000	169042440.2000	2804228.0680	2449645.9830	686415540.1000	1252952486.0000	1919281.9200	3885560.3890	681442860.5000	549127564.1000	10449431.8500	7825313.4730	362598394.0000	750781688.7000	6101357.1780	7462560.2950	3602149.3140	327629617.0000	103892763.7000	875382766.0000	4896899.6980	3397922.8810	1510040.9070	229437773.7000	449490403.9000	904093929.7000	13596514.6500	8326252.8560	12318256.9800	217653199.5000	145174173.6000	183414209.3000	2417221.1040	5057994.2800	8200760.6820	347266698.1000	285457454.5000	399927365.8000	3726380.0990	1785979.1780	3191435.9060	491395608.4000	163328290.6000	236145531.8000
Pos_DL-Homoserine_119.05824_120.0654_8.285_ExRate1		109710.4254	5142.3235								569149.8985											573089.6172							618756.9208	130290.3107	63798.9016		30425.8006						2104.0861		299266.5303							383865.9661											4412751.5280	472252.8191										81618.9066	32377.8830							28508.2275					947382.2952				650381.5161	860385.6491												11824536.5000																432783.6205	21196.4485	
Pos_DL-Homoserine_119.05824_120.0654_8.285_ExRate2				85057.8935	126161.5250	192950.5138				154906.6975	2542826.5580	1362826.0230						111731.7956				1396857.2000	717690.2593	506873.8639					190657.4628	133561.8020				103068.3276	104909.5930	72778.5242				1487969.4960	933794.6404	1116158.0200				70226.7267	71260.7910	182321.5464				529695.3957	683721.6925	687201.3222				135765.1809	291770.8551	354255.4523											115317.0069	338671.9104			408513.8987	70536.5378			284996.6087	508030.5220			236378.0725	184319.2788			168891.3560	358729.7196				40518.7757		427667.0106	31785.9050		26779.2309	1526925.7940	1963918.9230	4723818.6050				69826.5494						1266812.7060	959067.4548	1089158.3840				181370.6066		
Pos_DL-Lysine_146.10553_147.1126_9.556_ExRate0	1045670.2360	497528.9711	2289950.5910	290460714.1000	298039879.0000	385242563.5000	3993086.8850	692878.6759	3792386.9670	155466680.5000	533553867.6000	256195422.2000	7532338.4550	2102563.8200	6243927.0070	147966909.9000	206867931.6000	193894441.1000	2480819.0030	6565315.0580	1973828.0430	309332590.5000	134648700.2000	111599345.1000	861320.4915	33993019.2000	1359832.8300	176921299.8000	448613852.3000	431138560.6000	1098613.9900	380450.7570	1213797.5610	195862860.0000	285834207.5000	116296848.6000	1610551.6520	4571250.0350	3425411.3840	308319598.8000	120221539.7000	169896396.2000	10165645.0200	8356515.1430	9572594.8340	185267969.5000	215637863.5000	253208785.1000	4994840.9830	14723270.2100	7267007.2730	118677801.9000	213646855.7000	214521978.8000	428104.2335	4492633.9560	8611367.1260	157057410.1000	404831142.1000	490703262.3000					1025392.7950	1653253.5130	439718.0843	600112.5212	386908.3075	3247040.9650	198632682.6000	219874357.9000	3950803.6740	2785423.4840	176481185.8000	111537684.8000	496375.9919	884971.2251	303050440.4000	764319033.4000	654449.9912	3013086.5980	483283435.8000	373195655.0000	10159529.4900	3789903.7720	230996356.8000	510786804.6000	3773271.1410	3493567.3280	1165908.7730	248397441.6000	92792702.1200	640590316.3000	4776522.8970	1839509.5600	129163.3273	180620459.2000	407415151.4000	361162637.0000	13634742.7700	4884328.5150	12962200.7700	189286524.1000	145068425.9000	152768651.5000	2331658.4200	4960284.0780	11212021.3900	395578346.1000	248554666.8000	360037066.7000	1899121.8790	767851.6908	1448886.1450	513173902.5000	135625532.1000	191733197.9000
Pos_DL-Lysine_146.10553_147.1126_9.556_ExRate1												430700.7295										166126.9520	66465.1210			76757.2611		795.9528	713642.2556					528489.9174																																										346729.3213			150166.8976																					780632.4412	25633.7392															2448670.8320		
Pos_DL-Lysine_146.10553_147.1126_9.556_ExRate2				180074.7857	146658.8015	270648.2858				698166.4642	2823287.9180	1325354.2850					126930.3422	146636.3763				2755660.6340	1333813.1970	921763.9837					260185.3290	324694.0148					123796.8229					1375786.4010	566286.1832	850806.5262					110910.8278					672166.4063	1097741.5440	1284864.5010					347925.8680	412718.2955															49264.9822				115024.8577	544128.7753			178552.8150					354840.3202				223409.4641		459372.9324				664879.2676	1763453.3980	1686687.3120				110322.4427						2634749.6360	1849992.2030	2491276.9590				166916.8477		116063.0900
Pos_DL-Lysine_146.10553_147.1126_9.556_ExRate3																																																																																																		48801.8958												120871.9473		15635.1872						
Pos_DL-Lysine_146.10553_147.1126_9.556_ExRate4										1601442.2440	6362009.9820	3321462.3040										2135333.5270	905754.1290	679778.3897																2092883.1840	758713.5545	1028867.0250										254753.3255	474313.8082	520495.9698																																												2131601.1270	4943855.5410	4549364.2950										3010327.1720	1394186.8610	2247847.3020						
Pos_DL-Serine_105.04259_106.0497_8.674_ExRate0	554517.8475	657039.8124	2234494.3390	180248120.7000	164564216.9000	260064776.3000	2247978.3250	480634.5581	2305753.6760	72283729.6700	267494768.7000	167852483.3000	4105842.2980	2353008.4380	4044950.9910	97329275.3900	128941813.5000	136700113.9000	1482262.5660	3602107.5390	1301568.5700	357899279.6000	91599823.7000	66962656.0800	1144213.3030	13964117.3700	1185283.6470	103393729.2000	241489716.0000	231447577.4000	1359924.9940	1553607.8380	1226373.6410	120858430.6000	187432334.7000	80578435.0400	1716649.6480	3053417.2830	2679757.6340	155501926.4000	66304612.3200	92875332.4400	6077040.4650	4905258.9410	5384747.1520	99631874.1800	113628848.7000	137551372.2000	2640840.2710	7164027.0790	3295781.1580	67652691.2900	113278079.6000	104784940.9000	1272953.9980	2758018.4490	4279926.1890	87142156.8400	338235957.1000	423827330.6000		203442.1842	64231.8728	52078.2131	323307.1633	645312.6722	236166.7389	269522.4564	1064838.0560	3539842.6630	203346264.8000	330381830.2000	2073437.1280	1618307.2650	338947409.4000	106350130.0000	1121255.1050	2222650.4810	373971132.4000	698027591.6000	619869.8001	2314655.0690	377464797.2000	358093727.5000	6153307.9900	4543607.9440	239525251.0000	423131571.7000	3283183.1300	3394204.9230	1245240.5310	175677531.6000	59199893.9700	442046892.6000	2841292.5660	1478015.5700	573544.8407	118794716.4000	260078728.3000	440346698.5000	7861096.5390	5094950.2530	7985768.8940	121594853.0000	81870184.9700	91078317.6900	1253382.7790	2388298.8080	4646672.1470	230070292.8000	140896560.0000	219191943.6000	1983826.9360	720676.4505	1458140.9990	320458128.4000	83461262.8800	125877146.3000
Pos_DL-Serine_105.04259_106.0497_8.674_ExRate1					69467.2063																																																																		94176.8563																																															
Pos_DL-Serine_105.04259_106.0497_8.674_ExRate2										90233.8224	473818.4808	273050.2645										358760.9989	141953.7794	94643.8272																389332.8679	210083.4286	253555.4888										76731.6115	150835.1781	163911.6242																																												243724.6789	481875.9614	1024624.8760										344004.8566	205032.9993	338241.8565						
Pos_DL-Tryptophan_204.08988_205.0969_6.87_ExRate0	300636.4344	69360.2349	1909902.3990	119670373.5000	94933792.1100	157111428.1000	2106484.1600	307548.5649	1891683.5510	17381848.0600	238041778.1000	106702709.1000	4449383.9360	2244868.9940	3573547.6660	55380300.8800	77222142.8500	80598817.0600	1137051.0950	2849476.3870	1102464.8060	339858968.4000	56089744.3400	47500907.6800	512248.0014	16395402.1200	704906.0018	62704910.6900	192792048.5000	143772478.0000	1221856.5720	836101.7199	1173733.0100	62331289.6900	108918885.1000	50998512.2400	1340766.2140	2785657.2430	2654082.2060	102024562.0000	49267164.3200	64739193.2800	5143291.5820	4819403.6700	4919253.4430	71551186.6500	73605291.4400	96457604.2600	2640792.6800	5899904.4950	2950105.9240	47143538.9000	74521687.1100	75694415.4000	585439.7045	2245636.9840	3768645.7320	55488139.8600	326082947.2000	395735739.0000									435686.5143	2844936.8530	109371963.0000	183629037.0000	1678971.2860	1252960.3430	287570788.5000	56866076.5200	678568.6042	1537363.6350	180617295.8000	582792502.3000	260337.1632	1804439.4060	279385244.8000	165486645.0000	5099166.3220	4051771.6690	137457674.0000	260261954.4000	2448967.8220	2833222.8030	1102120.7920	109858702.1000	36620013.0200	403727088.5000	2310185.4050	1233607.2850	424546.2935	74376378.6500	187515129.7000	500510024.3000	7018591.5540	4408482.0480	6980790.2370	73883907.1400	44575576.6000	49441437.3300	969890.1813	1978786.8200	4460103.0630	143263456.4000	86192485.6500	139541475.7000	1639103.6850	472185.1797	887771.6574	192534933.7000	48603819.6600	77414076.7600
Pos_DL-Tryptophan_204.08988_205.0969_6.87_ExRate7																													2.8641																														4.7171																																																											
Pos_DL-Tryptophan_204.08988_205.0969_6.87_ExRate8																													57618.5487																														94896.6525																																																											
Pos_D-(+)-Proline_115.06333_116.0704_7.783_ExRate0	19429326.1500	51288281.4400	77432318.6200	2952001413.0000	2442611958.0000	3399805699.0000	50086661.0000	8406228.4960	37754557.0600	434009440.1000	3595853036.0000	2047852335.0000	76460380.4300	35680899.3200	78618838.0400	1341479788.0000	1728641988.0000	1775396067.0000	19758759.8200	47374482.1200	22188500.6400	5460694555.0000	1321511448.0000	1102244574.0000	15555456.6400	207254514.2000	29197927.0500	1519809195.0000	3372668539.0000	2887451134.0000	57201451.7300	41778451.5000	28458366.1800	1756494076.0000	2792026293.0000	1237358567.0000	51069353.0800	50732967.4200	56873187.3900	2167233252.0000	1190186913.0000	1544494196.0000	111580899.7000	83682804.5300	105301266.7000	1705172169.0000	1873998281.0000	2235216024.0000	41278782.5700	100392331.0000	42012633.6500	1181791216.0000	1950939431.0000	1944212774.0000	33058749.2400	38695086.9000	56936261.8300	1427068576.0000	5557952376.0000	5982692965.0000	22048578.8200	30224164.3300	11813562.3700	15997924.1400	36173075.6200	48325228.3100	27885267.9500		11722211.6400	52822671.0600	2809995044.0000	4184104313.0000	43073610.3500	39826749.5400	4232310063.0000	1314158452.0000	21135253.0500	48596599.3300	4120007658.0000	6586184045.0000	33107543.6900	36963226.7900	4363523308.0000	3690711279.0000	119986209.9000	88501828.7800	2897340467.0000	4156025486.0000	38328225.8600	79002415.0800	52859750.4800	2248734681.0000	886887812.7000	5903066071.0000	56095705.6600	37814225.4000	11334643.8100	1593198344.0000	2972925495.0000	6782302752.0000	114897792.7000	79382588.5200	106290734.5000	1591381460.0000	1168985052.0000	1226794360.0000	44196016.3500	60990990.4400	61195815.4900	2704868709.0000	1874150680.0000	2686556493.0000	39126923.0000	41831921.1400	28125785.0200	3356379066.0000	1239173009.0000	1695629511.0000
Pos_D-(+)-Proline_115.06333_116.0704_7.783_ExRate3																																																																																																												25452.3724										
Pos_Guanine_151.04941_152.0566_6.497_ExRate0																													62264.8751													38904.9489																	229637.4096	277452.4549											1402582.3710	2291884.7870			2969709.4400	627520.8194			2763860.4410	6505006.6190			3471513.5890	2659676.0030	39489.1197		1620971.5910	3252893.9600				1225152.6510	430785.7586	5185985.6950				989098.7755	2139373.3820	6009448.6170			51746.5784	793851.0533	534282.5528	700755.2646				1701376.2640	1027099.5210	1739583.6800				2457439.8130	576008.9374	1056729.3290
Pos_Guanine_151.04941_152.0566_6.497_ExRate1																																																																																																				59311.7878																		
Pos_Histamine_111.07965_112.0868_8.272_ExRate0	160148.4672			5658716.8240	5168587.1560	6466698.6200			116227.8757	2029495.2050	11260309.3100	4414410.5540	489791.1411	85477.5079		3104940.3200	3036203.1800	3530134.6960		284646.4516	235059.3395	12218490.1800	2752034.9380	1971959.4890		549124.1886	138762.6783	3294788.6730	7829280.5040	6744637.3310				3392996.7650	6018489.7260	2322077.4320	124200.4919	313788.7319	130091.6532	5645264.5550	2435334.7980	3232411.9510	304419.9548	189177.1171	235920.7634	3189275.4530	4072413.8020	4581661.5130	262886.5727	326080.4419	249346.3397	2262710.9440	4324201.3600	3715171.4850		254315.7128	224500.4273	2676937.4330	11909209.6800	10690014.2900						86096.6083	118152.9094	109863.4340		203781.4815	4549219.1100	7572439.2420	324850.2535		10464033.4100	2300346.9790		413015.8378	9039911.7920	11825697.4700		220871.8966	9669077.9030	7790270.4820	233852.7325		5215028.0430	11068212.5100				4424370.2530	1539086.2460	11847787.0800	200097.3338			3284892.4380	7998698.4920	14572510.9500	271575.6967		319044.0398	3409621.0480	2337788.2410	3026301.3560		173338.9034	259901.9524	5850050.2110	4314245.7630	6214191.5460				7709516.9840	2691160.6830	3931645.2600
Pos_Histamine_111.07965_112.0868_8.272_ExRate1												796.4616																																																																																																										
Pos_L-(+)-Citrulline_175.09569_176.1027_8.839_ExRate0	11671798.5200	2741366.9000	39646532.3600	1164664193.0000	1079990837.0000	1128967449.0000	156844043.6000	8603755.6020	127351094.6000	351408699.0000	2328192369.0000	1354142976.0000	105905916.2000	96091184.3800	140010326.7000	850110959.7000	1242338865.0000	1086162587.0000	109592028.0000	191814285.1000	176430187.8000	1928738111.0000	1164461628.0000	1065282287.0000	29015191.9200	211878805.6000	21286125.0000	1150963894.0000	1527526285.0000	1419353552.0000	89549694.1500	71842991.2300	65806760.6800	1196111170.0000	1151911254.0000	739081012.8000	234241666.6000	298280812.2000	255853896.6000	2062615770.0000	1633684673.0000	1643717777.0000	212101980.1000	188670813.9000	175985357.8000	1525492378.0000	1650270239.0000	1420246470.0000	261844222.0000	306150450.7000	172099944.8000	1720314957.0000	1815775230.0000	1787035789.0000	122926783.0000	132206611.8000	120307413.4000	1732855367.0000	3146322246.0000	3131434956.0000		174859.7213	181936.1876		51372.8892	3192098.0780	793455.8769	63536.7690	370279.4871	171910.0716	2328384.3270	2222866.0810	53835.5794	105159.7047	13748260.9900	1188765.3510	454256.8631	103511.4570	4390159.6710	306235869.6000	881308.0704	62427.0241	4049340.2850	3202181.3310	2917898.9910		2428392.1140	4062303.9020	41177675.0200	48074824.7200	34474869.1100	745346819.9000	618112881.9000	1071185897.0000	169725865.9000	117578847.6000	114377804.2000	1359861657.0000	1652980761.0000	3091483800.0000	98328482.0800	125248670.5000	132776236.9000	1090496477.0000	1194239521.0000	1421323815.0000	32477072.5300	82647663.9900	112678714.3000	1628000813.0000	1554911334.0000	1496065829.0000	84271998.6500	23440120.8600	22176659.3900	1413462643.0000	1233285233.0000	1500920069.0000
Pos_L-Cysteine-S-sulfate_200.97656_201.9837_8.024_ExRate0				332076.6738	417529.2301	1879441.6660				585341.4853	17060945.7300	8859182.1210	132527.7026	45725.2989	440728.8864	1002979.5610	5734016.8550	822637.7524				8492517.8360	3920082.2240	1714132.4960		526948.6581		1082195.2410	870867.7280	2242280.2370				4242696.3540	660952.1073	3881472.6990	66688.9215		230646.4999	8724279.6480	1493257.2310	3629110.2890	433766.3870	386173.1900	353686.5878	5304290.6750	3017596.7140	627532.0884				2188485.0580	2967673.5240	2696464.7420		54944.7936	227926.5388	1107138.7920	2867708.1410	10692459.9100										95834.4444	1447845.6510	3915020.7080			11132307.8700	4309927.7190		53307.5608	863175.1645	4625045.9360			25522683.3000	6777365.8850	603575.5359	150661.3039	16669513.5600	11110817.6800	156731.7526	189219.7748		10139112.6900	1385939.2170	8897449.2970		173794.6278		4254325.3590	15902048.9000	13823489.4000	764340.7488	388069.5801	432355.1951	2939242.0640	1017881.4530	4549033.1040				9731831.2800	5343097.4170	6280567.9890				3871386.4840	2439654.3650	759488.4606
Pos_L-Cystine_240.02385_241.0309_9.93_ExRate0	365621.0790			42291189.1200	39931707.2400	93209812.2700	517695.0380		574478.6468	26707542.1800	58651453.7500	26255566.6700	432546.1260		482360.6173	24731464.8000	19324245.4600	54130473.2300	270064.2987	875128.0137	212720.5186	91586112.8900	16198934.2600	14404869.7500		3304271.4480	271497.1773	28138239.7400	61896371.9600	85226163.5300				21641952.6500	66079477.2900	25865955.5900		854149.0550	148371.9533	21952210.1300	8709369.1270	11981082.5500	277635.8423	462409.5968	889658.7428	31102686.7700	19234056.4500	50900653.0200	520089.3826	2064858.9060	574923.6713	7773098.2790	19533609.1900	16312479.8200		793548.3002	900222.4301	15276348.5300	129710915.3000	159544761.6000					407997.5905	1154004.9590	176520.6373	57383.3928			53118512.1800	92422432.7400	556472.1428	382368.5287	49561877.0400	16592321.6300			88445978.6600	328881409.7000		454878.9913	77802533.2300	76443491.3800	522043.9605		63618066.1300	169569056.5000	115669.2322			28296645.6900	13865153.7500	208156666.4000	766480.5854			20523767.2600	45767545.6700	116362992.6000	471570.8116		1497134.8370	25536599.9500	17804688.2400	24437527.9200	288578.9548	838053.3849	1784515.7680	41929989.9500	26698692.4400	42472700.5100			228517.8462	69073060.4600	17018519.9800	46256574.3000
Pos_Leucine_131.09463_132.1017_7.035_ExRate0	20424239.4700	184.0930	47157340.2800	1979982727.0000	1938439885.0000	2680705401.0000	38687249.7600	7770969.7070	33818458.3100	413835726.3000	3643181247.0000	1923125738.0000	98151757.6500	54276619.9800	118649676.4000	1059791752.0000	1414876119.0000	1461513653.0000	21825928.6500	52075756.4000	22215753.6200	4725707169.0000	1091552663.0000	863269920.2000	16205073.8000	272991804.2000	25990185.6600	1271206818.0000	3000099584.0000	2495895345.0000	32600772.3100	19347406.4900	37265255.4800	1293554632.0000	2043458935.0000	969407848.3000	29373658.9100	47024340.1100	62688259.7800	2011149483.0000	923137213.6000	1248385899.0000	116640509.4000	102114383.6000	131387380.9000	1312727915.0000	1447458592.0000	1796892710.0000	42586777.8000	104551771.6000	54405783.0400	955562842.3000	1524003025.0000	1510300415.0000	20061035.5200	41987768.4200	79095280.0800	1095634698.0000	4233384485.0000	4814685439.0000	62.9967	167.8281	6531216.2610	165.4414	83.6161		116.1743		13641546.9900	68032612.5800	1964831065.0000	2943481249.0000	35556498.7300	26070385.9700	4109068313.0000	1117336141.0000	26321836.4700	50314278.8700	3068501261.0000	5679688584.0000	10141562.7400	32837074.5800	4235382390.0000	2858541735.0000	101460066.3000	80026559.7000	2354510382.0000	3893968543.0000	59224289.4200	58306672.9800	24423640.4500	1869383072.0000	698757331.6000	4780099369.0000	52005407.1300	27080002.5700	15759917.8600	1307084867.0000	2998803939.0000	5970204442.0000	148434835.5000	106160925.6000	163621253.7000	1387641604.0000	929160030.0000	1119057103.0000	22734808.5700	42674726.5200	79658910.3300	2652838823.0000	1592284459.0000	2312193636.0000	41113772.8000	12908469.9100	22660759.8600	2705247658.0000	952485156.0000	1403721339.0000
Pos_L-Glutamic acid_147.05316_148.0603_8.786_ExRate0	505635.4178	55559.9795	1897177.6710	16416497.2800	14917579.4000	11822803.2300	978860.1073	62905.3614	1012540.8040	1498212.8110	15314465.5700	8686184.5330	3847905.7680	3078202.3890	3878207.8880	21158066.5900	38919649.3600	35344658.4700	1152535.8470	1957146.7240	1894872.4680		12799035.5800	12457828.9400	1324100.4800	6060602.1780	1030604.0950	23845087.7400	29063442.7700	31181319.7100	3531110.8950	3129461.0750	2995672.4740	23632909.4600	13701833.1500	12553954.0900	2825217.7990	3485814.3950	2825455.0610	13796836.4700	20139886.3100	19279676.0600	6033942.9120	5153780.6410	4802738.0390	54904184.2600	54062816.1700	54560913.1700	3934833.1090	4650527.5650	2392140.9230				5128914.7700	4220160.7590	3359259.3880	56745544.9800	36161827.5100	51815300.2900						56491.6742	34518.3921				2780415.9170	1114004.9050			5825737.3410	1417675.9010			5149361.7080	5298999.8300			5818395.6930	4639732.3570	182115.1932		707886.9615	1289487.7280	1498139.8430	1446970.0040	1246036.8080	9600545.0270	9128104.9320	6447509.0100	1754503.4270	1359651.7690	946471.4495	12140666.9500	6803258.9720	10106135.8200	3443469.4160	4808242.2630	3769236.2860	31530563.7900	36116415.8800	60346920.8800	475728.0211	1066245.3760	1155884.3250	12219227.8200	17619954.0400	13135956.9100	3614940.8510	1120728.9280	683572.8450	38441501.7500	48413754.1200	68273618.8700
Pos_L-Glutamic acid_147.05316_148.0603_8.786_ExRate1											37983.5047												229584.5651	128775.6764																41404.5507	61590.3135	97508.0862																																																																				239853.2623	365956.0947	219164.0279						
Pos_L-Glutamic acid_147.05316_148.0603_8.786_ExRate2							599302.8348	58586.6777	531651.4411	565444.2958	8813707.9750	4908455.6320							1182244.3480	2179498.9190	2112945.6350		14083310.6300	12979704.6700													1037337.2290	1120532.6880	992879.0630	14439928.1500	21982915.1700	21102428.8900							2016007.5270	2063267.0750	1317084.9210																																												451355.5742	403975.8128	243505.8847	8006735.4300	3834670.5640	5265715.2170							178590.3389	738936.8583	831834.0541	11737915.5700	17032655.1300	12112026.9300						
Pos_L-Glutamic acid_147.05316_148.0603_8.786_ExRate3							42165.3668		59997.9670	15638.1177	898180.8128	447945.5777							41120.4446	97459.7335	123790.5351		344716.2274	387662.9444													46087.1872	68101.4750	36376.2281	406816.6726	659665.9966	632534.5897							86452.0052	37691.3418	30803.4557																																												47915.9445			837699.8395	324083.4615	455139.2163								30755.7010	27336.7265	503208.2825	562396.0861	420248.9346						
Pos_L-Glutamic acid_147.05316_148.0603_8.786_ExRate4							2668939.6120	185241.9768	2446014.3420	2024307.6310	30040536.3300	16553968.0200							1899837.3640	3553422.6110	3023585.5970		8543803.3370	8312868.4350													2639643.1600	3143242.9290	2380355.0630	17411696.4100	22636083.6300	23603733.9900							2258824.4420	1711171.6680	1755351.7740																								113631.4654																				2595692.6340	2251533.2960	1339242.4610	24443074.3000	12212443.9500	17757016.0100							477027.5487	1308515.9870	1348250.5880	8252659.3080	11211647.3900	7825542.1510						
Pos_L-Glutamic acid_147.05316_148.0603_8.786_ExRate5											234244.4638	115719.7323											69889.5883	64325.3894																172988.6919	214733.3759	226969.6724																																																						29077.8162		239592.2011	117078.2378	119115.6578										77901.6275	97908.2296	78231.0709						
Pos_L-Histidine_155.06948_156.0766_9.565_ExRate0	3192808.0900	798841.3033	1103694.6050	168948326.5000	173006076.9000	275339822.2000	2217763.5210		2114504.4090	128372484.6000	370462067.5000	204077484.6000	3029212.2830	1040279.2610	3830163.0770	105179394.7000	164540316.0000	150241647.5000	1185889.5530	3419923.6180	1271158.6950	533066873.7000	108373294.8000	133393243.6000	393468.2860	22048330.6300	848890.1762	162037129.1000	321212474.6000	217031764.4000	770292.7450		955208.0089	150514207.4000	227225584.8000	122211808.5000	1054192.4830	3025773.8160	2133132.8800	127478796.1000	129532288.3000	163937537.4000	4134802.6560	4087148.6830	5470716.3050	164594882.5000	173234120.5000	206395911.4000	2805735.2570	10200880.7400	3508670.7680	123065077.9000	105414585.0000	189796215.3000	624335.0014	2448061.5830	4099998.3490	140323538.1000	303219826.1000	510767305.7000				25676.1724	3087894.0730	7818258.1970	1579333.8530	1270137.6570		1703764.5070	207514515.2000	321914788.8000	1765215.0630	1479089.9330	341796813.7000	108612348.3000	163821.1432	661327.3713	325963258.0000	613108541.1000	369515.4805	1595390.3990	328273674.3000	293705490.6000	4707923.7000	2351378.2320	234793412.3000	194817718.5000	1611254.1750	1919589.6490	520630.0950	189308264.9000	104385360.0000	294213367.4000	2361896.4650	654539.8303	40615.1277	187211005.7000	347123185.4000	639348824.7000	8293029.0610	4221890.7570	8159222.3570	180593194.4000	138165779.0000	157980058.3000	897006.3486	5389195.2210	6397296.6160	224889031.7000	175241158.4000	276506304.8000	1280393.7450	599697.3453	811721.8289	275482644.4000	121421554.4000	150345872.4000
Pos_L-Isoleucine_131.09463_132.1017_7.219_ExRate0	32235871.6800	62841858.7600	16753941.3200	703298436.8000	684876129.3000	990075159.3000	17613753.4600	6138883.2960	15562573.6500	134572961.7000	1304133241.0000	661439716.8000	25214895.9200	19992049.5500	21094509.3400	347251438.7000	478811170.2000	463925475.5000	9433420.0280	19852856.9600	15390884.7000	1758009796.0000	348019914.0000	298392554.4000	8006788.3420	82604417.6600	16844165.6700	445208675.1000	1115389753.0000	899886783.0000	46811786.5900	53705237.4200	38387216.8500	462712228.0000	750227713.8000	269951848.7000	15500049.0200	17718071.5300	24187616.7500	699622019.0000	296992245.7000	398418866.3000	44199531.3800	29286415.7400	42910666.3800	401524809.2000	430958096.0000	574397614.0000	17920780.8300	58368182.1000	31679378.8800	281450331.9000	543130295.9000	470966949.8000	11207291.9600	12782548.6300	38328561.0400	356655500.1000	1724174324.0000	2268434770.0000		167.8281	6531216.2610			50479157.1700			13858047.4100	28514868.3600	726266949.2000	1290415570.0000	17371931.5600	9274737.8050	1862547466.0000	375421132.1000	20845018.8700	20779753.5400	1305478548.0000	2596550070.0000	10141562.7400	25190571.3800	1603355127.0000	1206240147.0000	39196657.6400	63783609.1400	790835649.9000	1547441339.0000	25754664.2700	37121751.0800	23292039.4600	660963294.0000	217652310.6000	2263082405.0000	24633959.9800	14245616.8300	16071158.6700	502597481.6000	1216954272.0000	2548819772.0000	45984244.6000	31441279.6400	45384503.4000	453492258.9000	282422938.8000	407368893.4000	9020749.1730	23709423.1400	32028556.5300	882408703.0000	529874963.9000	862928596.4000	35380108.8700	8808794.7340	63715583.0400	1418846050.0000	319776432.6000	450805757.8000
Pos_L-(-)-Methionine_149.05105_150.0581_7.447_ExRate0	1081942.2860		2839261.3270	124638269.2000	113437848.8000	214616190.5000	2081244.8630	260191.9718	1937957.7920	22439593.4700	359938044.3000	154328677.4000	4910230.2570	2715727.1800	4972162.0460	75270041.1100	107489662.5000	98302693.1500	1226433.0220	2934744.9770	1069133.5460	485519221.9000	78378592.7400	64827284.2400	779301.9055	14972931.7300	960336.4610	85430161.6100	192968798.4000	167145752.3000	1930156.4980	1689857.0190	1801462.5340	100039591.4000	156787698.0000	66789889.6500	1422638.0430	2609928.0700	2901852.4680	154431450.9000	63137481.6500	97302479.7600	6130945.3470	5514382.9490	6313645.5960	94302004.6900	117222543.7000	120781038.9000	2362480.0650	6268197.1270	3025247.3430	67879194.4500	108552080.9000	99578239.3400	526310.5639	2315333.7480	4765639.2470	76365145.4500	376981643.6000	540773556.0000		47562.3956			994231.8792	2129917.0340	675318.0061	599461.3031	988529.3594	3585250.7140	138225358.4000	277989329.8000	1577831.1220	1147193.8320	433665624.3000	80917424.0100	1010284.4610	1958279.6540	259973396.2000	595298868.0000	588505.0541	2025722.2880	433659303.7000	280866195.3000	6535324.0060	5060095.4950	190841449.4000	382601183.7000	3771380.1840	3407146.4860	1580534.4030	146723282.5000	46714647.2400	524519882.6000	2410207.4870	1335590.6800	462629.1370	106288954.3000	238538103.2000	761345621.6000	8520877.9470	5247078.5500	8429810.3640	102343276.0000	61611328.9400	82797265.2300	1020386.4280	2457904.1070	4608199.0020	185797906.0000	124520523.0000	207545401.5000	1605488.4550	527966.3253	1009858.2790	256496400.7000	67095319.2700	91140150.3100
Pos_L-(-)-Methionine_149.05105_150.0581_7.447_ExRate1																												77136.5192																																												440857.5789																						1054319.7320																								
Pos_L-(-)-Methionine_149.05105_150.0581_7.447_ExRate2																						48559.6992																																						155161.9454																																								318894.6476																		
Pos_L-Methionine sulfoxide_165.04596_166.0531_8.668_ExRate0				30897157.5900	33419051.5900	37689814.1700				717081.4549	13687429.4400	2407649.5900				1956798.0740	1222191.0750	8555450.7080				32345934.8800	548027.6430	417386.1322		42120.5576		2021644.3230	78973830.0300	44087535.8600				1714243.6920	38893051.6900	654781.9249		66891.5712		3908516.5650	858361.4475	975094.2299	84064.1410			1599549.6690	2025608.8420	15627047.3300	43187.9046	174151.0168	39004.8715	670405.9791	3423946.8070	3649221.9310				1880919.5890	123963488.9000	108334200.7000										161868.4937	22393419.8800	28559577.9000	133784.1003		35209116.3500	4428320.8820			96517449.8900	256109136.0000		100754.1592	34724150.7600	46784412.6300	349984.6858		4982796.8330	70300557.6800	46630.6484			3014364.8920	368971.9564	97274125.8700	47421.1754			1240191.8300	8942026.6080	68396859.1700	49851.8462	55007.6959		3167759.1010	976408.5977	320993.7714			59521.7683	9929997.0110	2984647.6380	12009636.1000				42015237.6700	659787.6673	13923779.5300
Pos_L-Methionine sulfoxide_165.04596_166.0531_8.668_ExRate1																4046.6303																																																																																			28061.7886																			
Pos_L-Methionine sulfoxide_165.04596_166.0531_8.668_ExRate2																1284.9280												2191.7929																		2353.4255	1804.1571											3664.3224																																															1666.7734											3063.5251		1704.2096
Pos_L(+)-Ornithine_132.08988_133.097_9.604_ExRate0	5394817.8610	663095.8230	2522199.5770	738543416.7000	818951618.8000	758133593.7000	8544393.4180	726554.7612	9437310.7480	911402099.5000	1052735428.0000	940047579.2000	8915988.8860	2417764.6710	8733232.9840	686260137.5000	882871939.5000	730996739.8000	16718817.1200	60380373.3000	24189976.4200	378073628.0000	742059228.8000	642428018.5000	2176922.4940	87702765.3600	3925880.1400	748018313.8000	1185459578.0000	779987779.9000	1929095.2700	1126699.4720	3210327.9740	682044247.9000	628952902.4000	293531319.1000	6498004.5410	26006002.2000	8173201.8680	1645528881.0000	1203255100.0000	1212054858.0000	26536589.8800	16910969.0300	23427854.9800	1122320755.0000	1488421721.0000	777311607.9000	52356667.8900	105183079.6000	46319640.6800	1039420275.0000	1070785908.0000	1166441822.0000	6567331.7820	32871338.5200	42632939.3900	1390813011.0000	656286644.1000	795410498.2000		226193.8816			214315.6770	11233495.1500	3750311.2150	231080.8622	97902.2055	153906.6320	3285523.7990	853345.1771	24332.6196	125285.4085	7650513.6050	1297646.7050	143921.1473	54454.7578	740823.2658	222576675.3000	48410.5790		2526217.5040	1624511.8210	841067.8972	49015.7955	1351615.4180	2609984.7030	2480788.7000	2463571.2140	1454640.6520	437501127.0000	268956098.0000	686108720.7000	8378986.0920	2378026.6080	224797.1589	750901381.3000	966157226.3000	532530419.9000	17172775.4600	5231517.1610	11317914.5700	735779254.6000	705716796.2000	768054915.4000	6508825.8630	20485596.1000	41106747.5300	936239409.9000	941569627.3000	1275232084.0000	10402741.0100	1972182.0670	4273999.9810	1225803833.0000	821478006.4000	1029618158.0000
Pos_L(+)-Ornithine_132.08988_133.097_9.604_ExRate2				375649.8494	571830.7633	463667.4976				403586.8741	759280.9998	310921.9753				333801.5720	440541.2566	420223.5381		40662.7107		213956.8113	590497.1826	417640.2997				483990.1251	733304.5428	478795.5392				365952.3635	296060.9406	150148.3407				1297083.6020	680260.1289	863223.9221				768309.5672	849889.0616	750089.4801		50901.2106		676666.3031	831112.0159	938940.3335				923391.8516	381338.4845	483150.8661																																210183.7506	158744.4718	379792.5371				510449.4907	464857.4846	289719.3340				300642.0541	447140.1065	437747.4497				757049.9771	715287.0638	611008.3401				1294907.8340	547029.5525	542527.7024
Pos_L-Phenylalanine_165.07898_166.086_6.896_ExRate0	4712915.0410	10241322.6300	13860514.8000	686736492.6000	660223131.4000	934872278.8000	14600646.2000	2948493.3340	11692638.2400	117206547.4000	1214150001.0000	662351914.4000	25978346.8100	14468493.4400	23487428.9700	370148553.3000	463143295.7000	405360417.3000	8691694.9170	18666591.7300	8224642.8920	1645715410.0000	364462139.8000	331857813.6000	6165730.0840	85803545.4300	6285554.3380	411828379.3000	1129141622.0000	909434766.1000	12847502.7200	8198279.8970	10308321.3600	445968375.1000	747696328.3000	323191557.3000	9704003.5870	18424085.5700	19017557.5900	676131837.4000	314876490.2000	400432738.7000	33742093.9800	28793917.7200	32784403.8800	449275617.3000	491142420.9000	598302593.3000	16114976.9000	39014105.0300	17794893.9500	308779188.7000	487650607.8000	459676585.2000	3685473.2400	16029386.6700	26398066.1500	361149291.2000	1748289872.0000	2232206258.0000			1013633.7230	361920.1027	6625112.3590		1656104.2430		6281529.4380	22352102.8600	702569252.7000	979311195.8000	12943733.2700	10459779.8200	1382974623.0000	348184322.4000	9890979.9170	12034294.5200	981862938.8000	2238364307.0000	2662171.2170	15609294.9900	1590237140.0000	927433931.3000	34761510.1200	26420546.2100	844680215.4000	1280926958.0000	18055090.0400	21395667.2100	10026857.0900	645045964.7000	240796961.0000	2099003621.0000	17248097.5300	9720989.4330	3470885.9080	452770889.1000	1103285281.0000	1821646425.0000	46990752.4800	28467812.5000	41671565.1900	447865870.4000	297323811.9000	342352965.2000	7936593.3610	14735762.2300	30586838.5000	888056346.2000	540002910.7000	895439619.9000	11867239.4900	5308111.6260	6378720.8750	1184817818.0000	321787340.0000	498017281.6000
Pos_L-Phenylalanine_165.07898_166.086_6.896_ExRate3					234407.9733		249773.4453	238425.3254											320134.8828		277489.5183																					113707.5523	277943.5887	236524.9977																			290271.9477	339059.6989		570965.6577							566175.5470																										126754.9596	586823.6380		235797.7748	254546.8043				268461.7800	328153.1219										
Pos_L-Phenylalanine_165.07898_166.086_6.896_ExRate8																											57897.1637				139280.5944																										38777.6197											34209.8942		43426.8279																					117805.6626									51160.2059		38182.6592				35530.8253								78528.3722				
Pos_L(-)-Pipecolinic acid_129.07898_130.0862_9.556_ExRate0	653415.5071	376968.4228	754138.7226	88053641.4100	88810776.8400	111595051.3000	1291445.5950	857184.0693	1268072.4960	46997469.2900	165965692.5000	75285249.4300	2501185.4060	1000289.2390	1889052.5890	45207189.0200	59703051.2600	58056223.3300	747217.4300	1908101.6620	709344.6157	95086294.3100	45474470.1400	35138373.8500	615604.8474	9701712.2960	553957.8389	54966804.2000	124014048.6000	110402558.3000	601063.5787	322311.8714	660163.7025	58862961.7200	90722726.4100	35077041.3100	493390.6827	1378980.6400	1298860.3050	98845984.2100	40044389.6000	56729106.3000	2894589.7480	2859318.2850	2806780.4880	53913849.1500	56363599.2900	66319689.2400	1748905.5470	4396227.5410	2845340.6450	36014595.5200	64810017.2200	57525717.0500	337314.1820	1447149.5840	2630727.2820	48830911.6900	125201067.6000	160436088.3000	142058.1523	131519.0882	132865.8022	64809.0430	645536.5911	1002472.3520	581119.3715	407019.4650	114589.2589	1028430.9740	62395636.8000	63414988.6100	1208721.6350	936714.2968	53544549.1700	34572714.5000	163142.2126	426341.1022	93517644.6700	240073250.0000	403553.3036	1128888.6310	152823927.5000	108687351.9000	3176866.4570	1496804.3750	70919124.4800	168192537.0000	1403369.4710	992972.0845	338713.8379	74559908.4600	28017043.5000	195897087.7000	1500213.5010	547940.1883	302731.2280	54450650.2500	122968326.9000	117890257.9000	3879173.3450	1906382.0550	3371586.7050	59482334.7900	45354929.9700	45943021.0100	842574.0449	1435901.6340	3207925.7980	113862149.9000	72992689.2500	106775348.8000	639015.5036	341392.2639	595592.2361	168628648.7000	43861064.3400	59600865.4600
Pos_L(-)-Pipecolinic acid_129.07898_130.0862_9.556_ExRate1						348774.1729						211450.1113										260372.8729																							25470.8675											9246.1370	2506.9862																			65884.1321										20042.1469												26027.0363			20816.2979		16085.6738															
Pos_L(-)-Pipecolinic acid_129.07898_130.0862_9.556_ExRate2								17.8351		8.8007	868764.1981	341429.5452			6.1207							739757.7376	351687.4827	244426.5981																483350.7653	179242.7310	279396.8553	3.0471									130518.5726	357575.6637	341058.6524					25.6473						4.6394						120.0563	7.9381			4.3794				13.8135									7.6891									5.1850	187082.1328	477422.1075	402476.7668										766556.7206	510063.8731	733073.1621						
Pos_L(-)-Pipecolinic acid_129.07898_130.0862_9.556_ExRate5																																								156919.1297	60341.4455																																																										19475.5219																			
Pos_L-Tyrosine_181.07389_182.081_7.707_ExRate0	102953.8851	55654.7232	298787.9841	35020732.9900	33025224.0600	45770390.7300	380873.2812	90558.1761	464440.5434	6756549.7610	61612206.6400	33956851.3100	787317.9307	514888.4478	861294.2412	18479400.1200	25277417.5200	26012031.8100	271638.6674	592657.2492	280195.5987	100839546.6000	19320675.2600	15475396.3200	169351.3523	2605744.7010	176672.8557	22955050.4100	56821812.1700	42101304.2900	217735.3562	194231.2921	217019.9432	23519650.6000	35330363.4000	15478007.4200	315235.9863	686881.4802	600310.1796	34952833.3100	15867629.2700	24085520.0800	1164714.4520	870982.4883	1104758.6220	21521200.5400	26025659.2300	30127105.9600	462438.7407	1396238.9180	605550.7766	16465409.5400	27082750.1000	24499844.9600	168208.2224	480363.2421	789549.7536	19442802.1800	92401830.1000	121658220.9000									129860.3367	659798.1512	37560400.8300	57347335.1500	398695.4476	336764.6476	78625681.5300	17342417.7700	125447.2656	298902.2833	59918507.5100	129031193.0000	98407.5501	300093.3840	75781488.7000	56881672.3500	1117764.8440	882401.3541	41434383.3500	70171953.8900	487008.1342	637143.4184	194553.2709	32103565.5000	12477049.8400	90164213.1100	479833.2332	311578.2841	140274.7665	25121856.2700	49487332.3400	133106620.4000	1549410.6060	991408.3242	1459615.2490	25334814.5000	16466642.2600	20048472.8000	291921.9362	489862.3324	939560.2159	45287097.1200	29708806.8900	42446492.6500	340325.7160	146869.4733	216897.4683	57711201.4900	17760777.4900	24731247.5600
Pos_L-Tyrosine_181.07389_182.081_7.707_ExRate2																	9.7286										12.2775			20.2010																					10.9338																							8.7218																		14.2552																										
Pos_L-Tyrosine_181.07389_182.081_7.707_ExRate3																	28947.5439										36531.8655			60108.3759																					32533.7714																							25951.9157																		42416.5816																										
Pos_Maltitol_344.12599_367.1209_8.738_ExRate15												27.0631				4.3765	17.9232	21.7642				5.3962	4.3062					8.0566		13.9036				3.7629						24.4701						11.4689	6.7436						18.7111	34.1138																																						10.6684								15.8303				8.3428							9.1899							15.5937
Pos_Maltitol_344.12599_367.1209_8.738_ExRate17				53457.8936	135461.3656	273916.7070					502234.3009																		706791.8305						103446.8447													36196.7607												165397.7956																				66622.5516														666583.2362					391431.2794											396740.7764		631500.9015				676679.4017		
Pos_Maltitol_344.12599_367.1209_8.738_ExRate18																																																																																																																				39417.3440		
Pos_N3_N4-Dimethyl-L-arginine_202.14298_203.1501_8.98_ExRate0				45089591.5300	44418203.4500	70484129.3600				3122531.8970	119675320.4000	52183174.8700				23412712.5400	38224411.9700	34732885.2200		277970.1613		177924160.1000	23955289.0900	17318451.6200		1567467.0540		33603062.3500	88807327.1100	77041970.8100				32124574.3900	53886028.9100	16370447.8000				56496710.2100	22495103.6800	32066003.0600	268128.4616	321406.4590	306134.0924	33757781.0500	40736632.9700	50616731.2600	235586.7969	696979.5038		23635770.7300	39131618.0400	38386185.0500				29816052.1100	181773212.2000	238820658.7000											20702772.7600	35523736.8800			91900369.4500	8741977.7150			71108005.8700	224859458.2000			112703246.4000	72873320.7000	132592.3253		22955784.8000	94032593.4800				37277343.8100	8901212.3280	186519252.5000				38596179.8000	93454540.6300	269504790.8000	326773.4063	163559.7271	431070.9151	36760017.5500	19711403.0800	28434613.3200			269356.7187	72976941.4200	48262770.0500	70238367.9000				106794421.9000	24927741.8600	39620608.2500
Pos_N3_N4-Dimethyl-L-arginine_202.14298_203.1501_8.98_ExRate2																						53703.2900																																					97241.8762																49056.5864					110919.3631								41043.8573												120677.9799																54938.3646		
Pos_N-Acetylornithine_174.10044_175.1076_8.4_ExRate0	131517.4079		298500.4874	1183338.5170	1412646.4740	933293.7876	28517.6686			39000.9088	1701986.8950	467307.1916	653280.6619	473644.6004	796268.7977	1592511.4080	3637599.8150	2931582.9920	462976.1417	922352.8482	935810.4076	3681693.6090	897314.6530	441309.1610	526135.3767	1118893.7660	506180.8434	1456092.5360	3921886.9560	4771030.2410	371126.8351	293779.3255	482065.3731	705717.7400	657845.7989	370428.5545	93899.1377	77652.6652	66833.6594	854726.0051	190949.4279	335222.6124	788748.5130	975542.3543	713440.8972	3292661.6540	4983108.7830	3397222.2800	953772.0447	799858.7999	441325.0905	923674.4635	1388140.0510	792053.6071	2929405.2040	1970924.2990	1504110.5190	2246545.6900	7092081.7160	11515817.5400											184510.2974	198972.5625			793940.4308	144692.6058			300641.1705	3378409.6680			956283.8538	351171.1452	54835.0195		225645.2682	455601.6548	153604.3978	138566.1626	234669.5239	655751.3959	143892.1169	1691443.7250				443381.1991	1237349.9370	3305621.9030	382909.1176	187222.4943	213209.7611	2788365.8470	1985252.1470	4721378.2900	88808.8481	173142.7960	243373.2853	1086590.9810	875100.7611	1069534.0820	1977305.5160	295881.8729	262237.9379	2879719.6330	1211458.9070	2191975.9910
Pos_N-Acetylornithine_174.10044_175.1076_8.4_ExRate1									103.1894		96409.9475										50581.1389	81788.9663																		45418.8790		41664.9150							23626.9477	22383.2473		1486.8856																																											93.6096	57.5946	68.8085	7546.0333	2149.9478	232627.0534					5209.6813					6721.0936								
Pos_N-Acetylornithine_174.10044_175.1076_8.4_ExRate2							760279.3098		512291.4565	298783.0003	7752971.4140	2728843.3890							1532809.5860	2990831.1710	2895912.1940	6513416.9250	1006738.2840	565036.4350													1105440.3280	1150501.9980	666352.1985	4712615.0620	1511756.4770	2268677.7540							1865612.4130	1529612.6540	1151673.6130	580244.7187	993839.2447	749359.7669																					124494.7602																				464731.6792	285932.4103	341604.6962	2221676.3400	4151216.0840	15028315.9800							257585.2209	464041.1697	562271.1787	1540985.1460	1075750.9460	1267388.3050						
Pos_N-Acetylornithine_174.10044_175.1076_8.4_ExRate3																																																																																																													4213.0408									
Pos_N-Acetylornithine_174.10044_175.1076_8.4_ExRate4																						94294.7244																																																																																																
Pos_N-Acetylornithine_174.10044_175.1076_8.4_ExRate6											81061.4759	37331.3671										61800.2156																																																																													57791.7175	500774.3105																		
Pos_Nicotinamide_122.04801_123.0552_1.732_ExRate0				16880867.4600	17654412.8600	17784720.5400	621059.9014		493835.1718	4296718.4490	57389926.0500	17520830.4600	532321.4874	144456.4854	755342.1513	8965320.0910	13014344.6000	15366387.2700	460567.7700	999732.8584	759273.0003	19884001.1600	8114870.9630	7163001.1320		2442761.5410		9000185.3320	31329332.9800	32670809.2300	141373.9724			10175403.4000	15685046.8800	5115423.5350	631539.1605	790598.6669	859489.8916	13863200.0300	6031779.4380	7483368.2260	1026175.0510	1278510.2070	1159957.1860	11471377.1000	10008723.7100	16733617.9500	1130582.1310	1417371.1170	942981.0003	5982632.8300	9607490.6580	11258052.3800	581589.3266	908024.4707	846190.4178	6569215.4210	36771781.1900	42512967.8300											2161314.7610	4966159.8420			3736031.9250	682267.4792			3451775.6310	12036584.7800			5891865.5870	3764841.9140			2994756.2360	7550533.4930				8399733.9050	3137021.6420	22208024.6300	321469.8488	115908.8016		9698437.0010	22162552.9800	31494090.8600	447672.5548	181568.8900	196377.9048	11465680.2500	7489804.0280	10558743.8800		152017.6310	493130.6204	24723390.2000	12285192.5000	23334900.1100				34858325.4300	6980952.7990	13369254.6900
Pos_Nicotinamide adenine dinucleotide (NAD+)_663.10912_664.1163_9.798_ExRate0				370126.4438	377552.6523								275344.6149	100985.7908	192910.4985	467290.1073	566709.4012	796288.7471		287.9630			357.8475	156.9333		680590.1751		319463.3349	191254.4340	552071.4777	140486.9832		33584.7001	157056.0151	360530.0092	336828.4230							372798.6031	479334.5092	486693.9331	418639.8000	368692.2845	428299.0524		457.5973	314.2546	236.1542	149.7117		176348.1563	396204.8687	410897.0690	206646.4468	149431.9749	80706.4253															49248.9123									53961.6142					30358.6534			135295.5507	99302.1406								99363.8275		59711.3737	428533.0948	316071.0592	681703.9370							40533.0222			305508.9909	559467.7690	362596.8279
Pos_Nicotinamide adenine dinucleotide (NAD+)_663.10912_664.1163_9.798_ExRate2							152.4146					104.9946							105.0457	93735.3994	331.5507		118349.9298	53134.5976														149.7249				293.4745							156687.8083	145543.4730	94700.5614	71165.0400	45115.5856	107.3086																																																																
Pos_Nicotinamide adenine dinucleotide (NAD+)_663.10912_664.1163_9.798_ExRate3											242.1097																												95.8146										7105.9493																																																																					
Pos_Nicotinamide adenine dinucleotide (NAD+)_663.10912_664.1163_9.798_ExRate4							60252.9445				148909.2187	41506.7342							41526.9463	44856.2159	131069.5402		94024.6055	66515.3155														59189.6424	65755.7180			116017.1214							105847.8681	141793.8524				42421.5103																																																																
Pos_Nicotinamide adenine dinucleotide (NAD+)_663.10912_664.1163_9.798_ExRate5											59170.5305																												21742.2670											10915.0359																																																																				
Pos_Nicotinamide adenine dinucleotide (NAD+)_663.10912_664.1163_9.798_ExRate6																																																	32360.9301																																																																					
Pos_N-Methylaniline_[M+H]+_AFBPFSWMIHJQDM-UHFFFAOYSA-N_107.0735_108.0807_1.15_ExRate0	2415754.0490	1882322.3540	2834891.7810	4314455.2870	1860415.6190	5337256.5900	3060174.2740	2655132.3220	2961861.1300	5136764.1150	3723750.1740	3145459.5110	3027933.6840	3164545.0750	2993025.2650	1561817.5420	3977997.7930	1485487.0120	1462710.1140	3018054.9860	2822334.6730	4081237.2520	2299925.7030	3718856.3620	3537354.7380	3774086.9340	3708867.0000	2871618.2510	1961188.8200	4843860.1520	3524185.4970	3273639.4070	1667918.6180	1682708.7770	5448977.3520	3814497.4160	3010278.2770	3986516.2650	3089824.2730	1536679.1200	3684022.4630	3495241.3590	3096054.5140	1660891.2120	3758103.5890	3395683.6150	1813228.3700	3983791.9100	3543931.2180	4836692.2860	1652168.3110	1754469.5350	3817198.0390	1560870.3200	1216316.4430	2921111.4070	2913446.4950	1389147.2800	1718463.8920	2270490.6220	594330.5669	627233.6405	779093.6218	1272531.6330	1829108.2460	1755832.7870	1308035.4360	2312025.5470	1612785.1400	3155591.7110	3178821.1570	3245969.9840	2846419.9320	2534584.2980	1380156.4860	2761378.5860	2871203.0480	1719854.0090	3410240.0770	3127253.6190	2930518.1620	2847536.2550	4187666.2660	3717010.4780	2803578.1340	1623153.6470	3626250.5730	4061923.0400	2660644.8720	3919055.7910	2074062.3620	4092725.8920	3824929.5440	1673416.2960	2896570.1360	3106485.0160	2655188.1120	1430919.1820	2297095.4730	3750388.0790	1522529.2480	3336246.3620	2134432.7500	3302162.1520	1654131.8800	2745252.9180	3651241.7790	3014533.4070	1544951.1710	4279337.5590	3894144.1910	4006555.8200	1273870.1670	3074413.4320	1292081.7480	3973456.5350	2828536.1300	2722608.1700
Pos_N-Methylaniline_[M+H]+_AFBPFSWMIHJQDM-UHFFFAOYSA-N_107.0735_108.0807_1.15_ExRate1						205373.5060																																																																										71842.6294																									42599.9531													
Pos_PEG n5_238.14164_239.1488_1.733_ExRate0	13285284.7700	7517839.0160	7430822.7600	22055235.3300	15044109.7900	43852101.5600	8541982.7640	6252220.2840	7772610.1830	5382496.2300	16689467.5400	12088490.6500	12384210.8100	2842655.2650	7651400.7140	6158760.0660	7324984.4480	7867986.9190	6736596.0190	52557455.5900	9139073.1780	16874881.4600	7901638.5780	6661748.9410	8624478.4090	20320944.9700	5099574.8680	13239288.4700	10808175.7700	22739391.8900	7091410.9230	8532115.8860	8022815.1360	9958671.2010	14292763.0300	9095226.9550	5889815.1430	12978676.5400	8662389.0440	12465871.5900	9864342.1290	19251385.4100	7674059.9780	12032773.0700	5355078.4820	10053087.1300	8024441.5000	7818916.6410	7911233.3630	12366127.9100	9395956.2090	8376024.3560	6503883.7280	6093904.2390	18742101.4500	7625021.4750	10173779.9800	8666362.9530	11144432.4400	12409458.3400	3607112.2170	3621984.4310	1497474.8100	1955024.4420	5101580.3010		2353159.9300	4448540.7240	13418726.8700	9287044.7430	15942727.9400	13649733.7000	24358854.5200	8905061.9770	12659524.0300	8948274.4150	7640194.7760	11046952.9900	12888536.9900	22445801.8900	8731505.9050	9581068.1020	22875522.4800	11930889.1600	7774370.7100	6985299.8360	13887782.7700	16429730.2100	3272635.2660	12282734.0200	11080945.3800	11161929.7100	8400060.4280	13264134.1700	7628872.2580	4019056.9480	8570889.0200	9492377.2400	20448611.3400	17382320.9500	8899140.0590	2414303.3540	8281833.3190	8667954.6940	8508137.1010	5996379.5100	8633277.1330	12875058.0800	12156199.4300	18747158.6000	11135156.2700	18100472.9800	10536972.1600	8875643.2420	9741225.0630	31388932.7000	5999319.2170	9784801.8270
Pos_Prolinamide_114.07931_115.0865_7.238_ExRate0				113014811.2000	89607122.5600	134061114.3000	96.1114	3103985.4490	5847914.8240	33671477.6200	337067735.6000	133721556.8000		6433246.6410	2445814.6120	49764382.3200	132213170.0000	64125193.8900	64.0509	59.9291	15566471.5800	113252383.7000	72717801.1700	52331279.8900		7606578.9200	106.2108	68719883.7700	335670441.5000	218013647.2000	161.2114	71.6849	152771779.9000	57322649.3100	101952758.1000	28914886.3100	75.0617	57.4659	19.2393	266647440.6000	62195569.9700	108946728.4000	6276560.9430	8489888.0360	10704740.5800	101319832.9000	109053812.0000	107172142.0000	64712551.0000	7371205.2220	112.2184	93898117.9700	160657398.1000	186593989.2000		67.5040	6875951.9410	65333112.1500	312506729.4000	200727964.7000					122.3412						27958961.1400	40386522.9500	27.0870	21.5438	46837375.0800	11966259.0900	110690696.6000		55143869.1600	104945059.7000	88.1057	88216875.7500	65115119.7100	50429170.3100			26398747.0800	55061203.1300	247793978.8000			77842989.4500	20374647.8700	166294335.8000	53.3336	14264817.7300	3519253.3640	72345162.5300	398784468.5000	157255715.4000	9476077.9120	9645643.1920		85398789.1900	39880244.3200	114958395.3000		75.9103	68.9630	355054868.0000	91829656.2800	264611564.6000		126.8384	151.2851	339053693.8000	56812835.5400	68839065.3500
Pos_Prolinamide_114.07931_115.0865_7.238_ExRate2				73050.3883	71630.6042	106238.6879					245919.5116	69899.3015																	236314.0910	141017.3770					49657.6378					229404.1603		64830.7578				30807.3996	65539.8843						98295.0836	129073.9357					218699.0907																																								319758.4121	101149.1734				52127.9625		89419.5913				290894.9944	80099.8281	21314.7969				156568.7036		
Pos_Pyridoxamine_168.08988_169.097_8.241_ExRate0	1512751.2920	176484.8280	3598878.2660	346558137.3000	323883490.3000	423199427.7000	4423231.1280	345232.0515	4170907.7350	67877343.8900	629526236.3000	336007918.9000	8384694.9010	4243497.9820	9186757.7230	185409750.2000	261781671.2000	284743057.7000	2541177.7470	6758509.0070	2764881.6380	855680637.7000	189303378.2000	150502808.3000	1448404.6900	28497623.6100	1999663.9110	231794448.7000	490091461.6000	463577215.0000	2094401.4810	1887049.7240	2672774.8490	237041251.8000	388350395.7000	185293756.8000	3951969.2190	6359655.5610	5982079.7060	363397088.5000	162368869.1000	239655806.3000	12559286.0300	11309087.4500	12129682.8900	260262944.0000	259369845.0000	327931048.3000	5637882.3570	15159592.9600	6427545.7100	167214137.4000	274664024.2000	261604739.1000	1997743.9540	6092558.5370	8871455.3760	215388996.8000	870117504.3000	1029340936.0000						3059614.0670	133776.6829	603397.7675	1519518.8160	6015889.5220	331063622.0000	487895196.8000	4253697.5950	2928453.3150	602753962.4000	175281520.8000	1584765.3000	4051905.4210	561837257.6000	1076177018.0000	501836.2559	4190414.8330	683189703.3000	541009294.5000	11397961.1300	11560497.6400	391491156.8000	697976318.4000	4852601.8040	5866356.7850	2179866.5680	314573092.2000	111732884.3000	909883550.9000	5612527.8170	2628458.1560	1131404.4500	234321551.8000	505646647.1000	1094169544.0000	14757342.0200	9621964.9720	15669301.8600	228511476.4000	160489323.7000	221706403.9000	2333668.8860	5067407.7980	8597908.8020	445496582.9000	293440406.3000	425867083.1000	4199095.3400	1155439.4140	2073785.1640	511876365.2000	177414982.5000	260021272.1000
Pos_Pyridoxamine_168.08988_169.097_8.241_ExRate1																																																	37015.2393																																								50073.1485																													
Pos_Pyridoxamine_168.08988_169.097_8.241_ExRate2				5.8741		131142.1019					284608.1231	88936.2800						35.1642				483253.1927	44047.7383						203870.4549	131208.8585					74630.3881					182243.9897	90.9236	350.6174				45212.7882		98318.1201					60964.1613	113596.9651					524725.1309	879571.6409											50033.9489	132538.4989			264665.0392				277526.7217	39.2538			95160.9383				36014.3004	195669.3123						519960.4901					107839.2723	575173.5514										253012.6672	40319.0898	243667.9692				120574.6936		
Pos_Pyridoxamine_168.08988_169.097_8.241_ExRate3				29660.5857							89370.6087							177556.8550				150726.7612							201746.2260	233139.6416											459106.3228	1770394.7500											33489.9549	197963.2268						142395.9289												1378683.7130								198206.6821														906228.1022					257826.1768	154888.9938										73290.5604		269862.4253				310535.3676		
Pos_Triethanolamine_149.10519_150.1124_6.591_ExRate0	3237765.7880	3263552.0420	1168399.0840	1374654.1200	1169281.4580	1653288.4710	2324108.0800	1172252.4260	1104856.8220	1974852.8170	1909383.6380	29466602.7200	1983206.0450	1227699.9000	1278046.1010	1915219.9500	1997753.6040	2100230.9720	2088547.0360	1863852.8230	5305454.1250	2144399.0420	3177866.1590	1706464.1340	3655191.3140	2972796.4290	2317082.4050	8029653.9270	1433403.8170	1289553.5520	2459171.0120	2126015.4700	1228345.1610	3871367.4080	1488349.6260	2074646.1730	1184277.7550	1883401.8090	1874324.4130	1959845.0660	2360183.2950	3666754.3580	3655650.8300	2242889.9720	2135458.7970	2174922.6720	2840400.8480	2179612.8990	3062853.4740	2303697.8760	1245698.9890	1653740.9680	2146149.0740	1521358.6330	3478200.8310	2123947.9150	2247209.3550	5657893.4110	1779727.4330	2387058.9730	584473.9538	418753.1259	564318.4634	951859.2525	885839.1642	839331.0009	473299.8860	2668762.8100	14709568.3200	2749926.0950	2827493.0520	2341924.7520	1568331.1050	1918608.4780	2902249.1150	2640683.7840	1108217.3730	1226277.7310	2411679.2310	2631931.8020	2490818.1300	2725582.4910	1539908.0130	2570236.8000	3408276.8620	2302211.7620	2650528.1450	6418664.8210	4234211.0230	2452323.2810	2553613.4500	1304536.7400	2291287.9650	2544254.8080	1149074.4950	2111252.0140	885013.6711	2524846.9150	2066177.5520	2071530.5100	2367576.1840	1625403.5850	2328584.6320	1847158.2980	1768119.8640	3043845.6660	2427749.2490	1240376.8700	2672942.9800	1769491.5540	1491933.7910	2006506.2650	1948278.8090	2237054.0640	2555861.1440	2579814.7840	2403027.8590	2555763.6920
Pos_UDP-N-acetylglucosamine_607.08157_608.0884_9.921_ExRate0				357736.6445	341993.8923	141894.8507							224399.4796	141953.7637	287872.0333	565546.7771	1297632.0770	871650.1833					0.0499			348205.5793		1133887.5050	990707.1969	823845.2492	204243.3505	119791.2729	111988.8004	482900.1781	287173.5381	271915.5152							523432.7563	620625.5381	611535.7064	1404052.7780	2219117.0090	1646074.5970				208431.9560	143970.8863	246162.0141	324857.6063	358136.5080	275758.8081	1735912.4240	830702.3212	739727.1750																															54277.9976			71159.4142							216339.6430	228196.9328	412993.6077	1239104.4890	1141891.5390	1947433.8050							139073.7484		47751.2093	776808.0539	1146681.7840	1314799.1790
Pos_UDP-N-acetylglucosamine_607.08157_608.0884_9.921_ExRate1																							5.9021																													7172.9215																																																																		
Pos_UDP-N-acetylglucosamine_607.08157_608.0884_9.921_ExRate10										36517.2757	162878.6831																										135577.6956	196320.1199	131737.4579	67890.5259	154917.0184	176281.9333							72922.5696	33455.4930																																													52263.7410	52218.1315		243757.6417	51211.4880	39379.9701																		
Pos_UDP-N-acetylglucosamine_607.08157_608.0884_9.921_ExRate12																																						28545.4097	58532.5409																																																											58099.0488																				
Pos_UDP-N-acetylglucosamine_607.08157_608.0884_9.921_ExRate2											53.6986												254179.7998	184790.7083																141.0211	205.8511								74.0850			583643.2033	336510.7681	369534.8265																																												56.2255												159.3202		119.2898						
Pos_UDP-N-acetylglucosamine_607.08157_608.0884_9.921_ExRate3																							49183.4801	10429.7946																												48660.4554		18580.2990																																																																
Pos_UDP-N-acetylglucosamine_607.08157_608.0884_9.921_ExRate4										45.8701	52717.6619	115.4349									30.7193		378062.2531	366594.1872														36.0038	32.8494	124552.7523	167644.8476	269380.8445							63622.5599	119.8926	46.3276	404426.6393	368449.2479	251646.9570																																												45163.4674		66.0368										134379.0396	240679.7940	102584.1486						
Pos_UDP-N-acetylglucosamine_607.08157_608.0884_9.921_ExRate5																							76593.3303	58512.1689																		27973.3522																																																																					10101.4865							
Pos_UDP-N-acetylglucosamine_607.08157_608.0884_9.921_ExRate6										56314.4977	254333.4908	135051.1058									32485.3438		363099.7637	273750.1991													82.9763	45987.6445	43470.8826	283825.3304	363771.5315	424461.8270							99170.5164	144021.5471	57966.1187	153436.9425	97413.6724	64994.6371																																									26.3785	25.0182		192594.7318	118.2949	83769.5844										119296.9102	286424.4073	139973.6565						
Pos_UDP-N-acetylglucosamine_607.08157_608.0884_9.921_ExRate7																								24282.9469																	117333.4599	27921.5349																																																								28417.3544																				
Pos_UDP-N-acetylglucosamine_607.08157_608.0884_9.921_ExRate8										93430.9941	435777.9452	144924.1866											51563.8608	61138.7251													149255.9471	134699.5669	169764.2197	277752.7890	409500.1524	426320.5236							190704.8599	141187.2193	113513.1047	37108.4507																																											47744.7458	45368.1411		312394.2078	208201.5826	220017.3250											133075.0609							
Pos_UDP-N-acetylglucosamine_607.08157_608.0884_9.921_ExRate9											55058.2556	30718.4666																													5162.0000	53932.2037																																																																												
Pos_Valine_117.07898_118.086_7.78_ExRate0	88578022.1900			1054148164.0000	739422083.5000	983550506.9000	202880605.6000			222917241.6000	1666274466.0000	718178622.7000				551617056.5000	646594763.5000	531162616.4000	173264221.5000	130459326.4000	163126969.5000	1771705623.0000	486994167.2000	435484207.7000	92543294.6300	219732372.2000	153772348.0000	515021002.2000	1323589447.0000	1124517817.0000				636950711.8000	773968059.7000	424075668.2000	190185602.2000	169137258.9000	169851636.7000	778862808.2000	435601970.3000	584040914.6000	204554544.5000	242592575.2000	212242460.3000	768016063.1000	629007018.2000	673712762.2000	311975312.9000	144606334.5000		432481333.9000	604962096.4000	615667119.9000	112174073.8000	201527181.4000		465347282.5000	2175390172.0000	1796382378.0000	236144274.4000					138848014.0000	192420170.5000		202430100.8000		810758066.3000	1190027149.0000	122943616.3000	177051834.5000	1237325052.0000	505520157.3000	190332557.5000		1284575593.0000	2304942344.0000		136267515.1000	1450261548.0000	1205217023.0000	182822434.4000	262147394.4000	938800602.9000	1484308479.0000	223454738.2000	149690470.5000		733744375.2000	295701545.4000	1919855101.0000	150004409.7000	171025419.0000	205390809.8000	674744364.6000	1226634640.0000	2859927912.0000	246816219.4000	212998737.7000	145001355.7000	592804097.1000	397539981.2000	555583240.9000	126872934.2000	177019267.4000	149494083.1000	965042585.9000	770355134.6000	989010013.8000	145502564.5000		209544564.5000	1371613776.0000	406174759.4000	578077857.3000
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	pubchem_id	inchi_key	kegg_id	other_id	other_id_type	ri	ri_type	moverz_quant	
Pos_1-Methyl-1,3-dihydro-2H-benzimidazole-2-thione_164.04082_165.048_1.195_ExRate0									
Pos_1-Methyl-1,3-dihydro-2H-benzimidazole-2-thione_164.04082_165.048_1.195_ExRate1									
Pos_1-Methyl-1,3-dihydro-2H-benzimidazole-2-thione_164.04082_165.048_1.195_ExRate2									
Pos_3-(2-methylpropyl)-octahydropyrrolo[1,2-a]pyrazine-1,4-dione_210.13683_211.144_6.261_ExRate0									
Pos_3-(2-methylpropyl)-octahydropyrrolo[1,2-a]pyrazine-1,4-dione_210.13683_211.144_6.261_ExRate10									
Pos_3-(2-methylpropyl)-octahydropyrrolo[1,2-a]pyrazine-1,4-dione_210.13683_211.144_6.261_ExRate2									
Pos_3-(2-methylpropyl)-octahydropyrrolo[1,2-a]pyrazine-1,4-dione_210.13683_211.144_6.261_ExRate3									
Pos_3-(2-methylpropyl)-octahydropyrrolo[1,2-a]pyrazine-1,4-dione_210.13683_211.144_6.261_ExRate4									
Pos_4-Guanidinobutyric acid_145.08513_146.0922_7.674_ExRate0									
Pos_4-Guanidinobutyric acid_145.08513_146.0922_7.674_ExRate1									
Pos_4-Guanidinobutyric acid_145.08513_146.0922_7.674_ExRate2									
Pos_4-IMIDAZOLEACETIC ACID__PRJKNHOMHKJCEJ-UHFFFAOYSA-N_126.04293_127.0501_7.992_ExRate0									
Pos_Acetylarginine_216.12224_217.1293_8.109_ExRate0									
Pos_Acetylarginine_216.12224_217.1293_8.109_ExRate1									
Pos_Acetylarginine_216.12224_217.1293_8.109_ExRate2									
Pos_Acetylarginine_216.12224_217.1293_8.109_ExRate3									
Pos_Adenosine_267.09675_268.1038_5.004_ExRate0									
Pos_Adenosine_267.09675_268.1038_5.004_ExRate1									
Pos_Adenosine_267.09675_268.1038_5.004_ExRate2									
Pos_Adenosine_267.09675_268.1038_5.004_ExRate3									
Pos_Adenosine_267.09675_268.1038_5.004_ExRate4									
Pos_Adenosine_267.09675_268.1038_5.004_ExRate5									
Pos_Adenosine_267.09675_268.1038_5.004_ExRate6									
Pos_Agmatine_130.12185_131.1291_8.897_ExRate0									
Pos_[Alanine_[M+H]+_QNAYBMKLOCPYGJ-REOHCLBHSA-N]_89.04768_90.0549_8.107_ExRate0									
Pos_[Alanine_[M+H]+_QNAYBMKLOCPYGJ-REOHCLBHSA-N]_89.04768_90.0549_8.107_ExRate1									
Pos_[Alanine_[M+H]+_QNAYBMKLOCPYGJ-REOHCLBHSA-N]_89.04768_90.0549_8.107_ExRate2									
Pos_Choline_103.09971_104.1069_5.175_ExRate0									
Pos_DL-Arginine_174.11168_175.1186_9.478_ExRate0									
Pos_DL-Glutamine_146.06914_147.0763_8.666_ExRate0									
Pos_DL-Glutamine_146.06914_147.0763_8.666_ExRate1									
Pos_DL-Glutamine_146.06914_147.0763_8.666_ExRate2									
Pos_DL-Glutamine_146.06914_147.0763_8.666_ExRate3									
Pos_DL-Glutamine_146.06914_147.0763_8.666_ExRate4									
Pos_DL-Glutamine_146.06914_147.0763_8.666_ExRate5									
Pos_DL-Homoserine_119.05824_120.0654_8.285_ExRate0									
Pos_DL-Homoserine_119.05824_120.0654_8.285_ExRate1									
Pos_DL-Homoserine_119.05824_120.0654_8.285_ExRate2									
Pos_DL-Lysine_146.10553_147.1126_9.556_ExRate0									
Pos_DL-Lysine_146.10553_147.1126_9.556_ExRate1									
Pos_DL-Lysine_146.10553_147.1126_9.556_ExRate2									
Pos_DL-Lysine_146.10553_147.1126_9.556_ExRate3									
Pos_DL-Lysine_146.10553_147.1126_9.556_ExRate4									
Pos_DL-Serine_105.04259_106.0497_8.674_ExRate0									
Pos_DL-Serine_105.04259_106.0497_8.674_ExRate1									
Pos_DL-Serine_105.04259_106.0497_8.674_ExRate2									
Pos_DL-Tryptophan_204.08988_205.0969_6.87_ExRate0									
Pos_DL-Tryptophan_204.08988_205.0969_6.87_ExRate7									
Pos_DL-Tryptophan_204.08988_205.0969_6.87_ExRate8									
Pos_D-(+)-Proline_115.06333_116.0704_7.783_ExRate0									
Pos_D-(+)-Proline_115.06333_116.0704_7.783_ExRate3									
Pos_Guanine_151.04941_152.0566_6.497_ExRate0									
Pos_Guanine_151.04941_152.0566_6.497_ExRate1									
Pos_Histamine_111.07965_112.0868_8.272_ExRate0									
Pos_Histamine_111.07965_112.0868_8.272_ExRate1									
Pos_L-(+)-Citrulline_175.09569_176.1027_8.839_ExRate0									
Pos_L-Cysteine-S-sulfate_200.97656_201.9837_8.024_ExRate0									
Pos_L-Cystine_240.02385_241.0309_9.93_ExRate0									
Pos_Leucine_131.09463_132.1017_7.035_ExRate0									
Pos_L-Glutamic acid_147.05316_148.0603_8.786_ExRate0									
Pos_L-Glutamic acid_147.05316_148.0603_8.786_ExRate1									
Pos_L-Glutamic acid_147.05316_148.0603_8.786_ExRate2									
Pos_L-Glutamic acid_147.05316_148.0603_8.786_ExRate3									
Pos_L-Glutamic acid_147.05316_148.0603_8.786_ExRate4									
Pos_L-Glutamic acid_147.05316_148.0603_8.786_ExRate5									
Pos_L-Histidine_155.06948_156.0766_9.565_ExRate0									
Pos_L-Isoleucine_131.09463_132.1017_7.219_ExRate0									
Pos_L-(-)-Methionine_149.05105_150.0581_7.447_ExRate0									
Pos_L-(-)-Methionine_149.05105_150.0581_7.447_ExRate1									
Pos_L-(-)-Methionine_149.05105_150.0581_7.447_ExRate2									
Pos_L-Methionine sulfoxide_165.04596_166.0531_8.668_ExRate0									
Pos_L-Methionine sulfoxide_165.04596_166.0531_8.668_ExRate1									
Pos_L-Methionine sulfoxide_165.04596_166.0531_8.668_ExRate2									
Pos_L(+)-Ornithine_132.08988_133.097_9.604_ExRate0									
Pos_L(+)-Ornithine_132.08988_133.097_9.604_ExRate2									
Pos_L-Phenylalanine_165.07898_166.086_6.896_ExRate0									
Pos_L-Phenylalanine_165.07898_166.086_6.896_ExRate3									
Pos_L-Phenylalanine_165.07898_166.086_6.896_ExRate8									
Pos_L(-)-Pipecolinic acid_129.07898_130.0862_9.556_ExRate0									
Pos_L(-)-Pipecolinic acid_129.07898_130.0862_9.556_ExRate1									
Pos_L(-)-Pipecolinic acid_129.07898_130.0862_9.556_ExRate2									
Pos_L(-)-Pipecolinic acid_129.07898_130.0862_9.556_ExRate5									
Pos_L-Tyrosine_181.07389_182.081_7.707_ExRate0									
Pos_L-Tyrosine_181.07389_182.081_7.707_ExRate2									
Pos_L-Tyrosine_181.07389_182.081_7.707_ExRate3									
Pos_Maltitol_344.12599_367.1209_8.738_ExRate15									
Pos_Maltitol_344.12599_367.1209_8.738_ExRate17									
Pos_Maltitol_344.12599_367.1209_8.738_ExRate18									
Pos_N3,N4-Dimethyl-L-arginine_202.14298_203.1501_8.98_ExRate0									
Pos_N3,N4-Dimethyl-L-arginine_202.14298_203.1501_8.98_ExRate2									
Pos_N-Acetylornithine_174.10044_175.1076_8.4_ExRate0									
Pos_N-Acetylornithine_174.10044_175.1076_8.4_ExRate1									
Pos_N-Acetylornithine_174.10044_175.1076_8.4_ExRate2									
Pos_N-Acetylornithine_174.10044_175.1076_8.4_ExRate3									
Pos_N-Acetylornithine_174.10044_175.1076_8.4_ExRate4									
Pos_N-Acetylornithine_174.10044_175.1076_8.4_ExRate6									
Pos_Nicotinamide_122.04801_123.0552_1.732_ExRate0									
Pos_Nicotinamide adenine dinucleotide (NAD+)_663.10912_664.1163_9.798_ExRate0									
Pos_Nicotinamide adenine dinucleotide (NAD+)_663.10912_664.1163_9.798_ExRate2									
Pos_Nicotinamide adenine dinucleotide (NAD+)_663.10912_664.1163_9.798_ExRate3									
Pos_Nicotinamide adenine dinucleotide (NAD+)_663.10912_664.1163_9.798_ExRate4									
Pos_Nicotinamide adenine dinucleotide (NAD+)_663.10912_664.1163_9.798_ExRate5									
Pos_Nicotinamide adenine dinucleotide (NAD+)_663.10912_664.1163_9.798_ExRate6									
Pos_N-Methylaniline_[M+H]+_AFBPFSWMIHJQDM-UHFFFAOYSA-N_107.0735_108.0807_1.15_ExRate0									
Pos_N-Methylaniline_[M+H]+_AFBPFSWMIHJQDM-UHFFFAOYSA-N_107.0735_108.0807_1.15_ExRate1									
Pos_PEG n5_238.14164_239.1488_1.733_ExRate0									
Pos_Prolinamide_114.07931_115.0865_7.238_ExRate0									
Pos_Prolinamide_114.07931_115.0865_7.238_ExRate2									
Pos_Pyridoxamine_168.08988_169.097_8.241_ExRate0									
Pos_Pyridoxamine_168.08988_169.097_8.241_ExRate1									
Pos_Pyridoxamine_168.08988_169.097_8.241_ExRate2									
Pos_Pyridoxamine_168.08988_169.097_8.241_ExRate3									
Pos_Triethanolamine_149.10519_150.1124_6.591_ExRate0									
Pos_UDP-N-acetylglucosamine_607.08157_608.0884_9.921_ExRate0									
Pos_UDP-N-acetylglucosamine_607.08157_608.0884_9.921_ExRate1									
Pos_UDP-N-acetylglucosamine_607.08157_608.0884_9.921_ExRate10									
Pos_UDP-N-acetylglucosamine_607.08157_608.0884_9.921_ExRate12									
Pos_UDP-N-acetylglucosamine_607.08157_608.0884_9.921_ExRate2									
Pos_UDP-N-acetylglucosamine_607.08157_608.0884_9.921_ExRate3									
Pos_UDP-N-acetylglucosamine_607.08157_608.0884_9.921_ExRate4									
Pos_UDP-N-acetylglucosamine_607.08157_608.0884_9.921_ExRate5									
Pos_UDP-N-acetylglucosamine_607.08157_608.0884_9.921_ExRate6									
Pos_UDP-N-acetylglucosamine_607.08157_608.0884_9.921_ExRate7									
Pos_UDP-N-acetylglucosamine_607.08157_608.0884_9.921_ExRate8									
Pos_UDP-N-acetylglucosamine_607.08157_608.0884_9.921_ExRate9									
Pos_Valine_117.07898_118.086_7.78_ExRate0									
METABOLITES_END
#END