#METABOLOMICS WORKBENCH juliehaines_20241125_131224 DATATRACK_ID:5396 STUDY_ID:ST003604 ANALYSIS_ID:AN005922 PROJECT_ID:PR002231
VERSION             	1
CREATED_ON             	December 5, 2024, 7:19 pm
#PROJECT
PR:PROJECT_TITLE                 	Macrophages recycle phagocytosed bacteria to fuel immunometabolic responses
PR:PROJECT_SUMMARY               	Macrophages specialize in phagocytosis, a cellular process that eliminates
PR:PROJECT_SUMMARY               	extracellular matter, including microbes, through internalization and
PR:PROJECT_SUMMARY               	degradation. Despite the critical role of phagocytosis during bacterial
PR:PROJECT_SUMMARY               	infection, the fate of phagocytosed microbial cargo and its impact on host cell
PR:PROJECT_SUMMARY               	is poorly understood. Here, we reveal that ingested bacteria constitute an
PR:PROJECT_SUMMARY               	alternative nutrient source that skews immunometabolic host responses. Tracing
PR:PROJECT_SUMMARY               	stable isotope-labelled bacteria, we found that phagolysosomal degradation of
PR:PROJECT_SUMMARY               	bacteria provides carbon atoms and amino acids that are recycled into various
PR:PROJECT_SUMMARY               	metabolic pathways, including glutathione and itaconate biosynthesis, and
PR:PROJECT_SUMMARY               	satisfy macrophage bioenergetic needs. Metabolic recycling of
PR:PROJECT_SUMMARY               	microbially-derived nutrients is regulated by the nutrient sensing mTORC1 and
PR:PROJECT_SUMMARY               	intricately tied to microbial viability. Dead bacteria, as opposed to live ones,
PR:PROJECT_SUMMARY               	are enriched in cyclic- adenosine monophosphate (AMP), sustain the cellular AMP
PR:PROJECT_SUMMARY               	pool and subsequently activate AMP protein kinase (AMPK) to inhibit mTORC1.
PR:PROJECT_SUMMARY               	Consequently, killed bacteria strongly fuel metabolic recycling and support
PR:PROJECT_SUMMARY               	macrophage survival, but elicit decreased reactive oxygen species (ROS)
PR:PROJECT_SUMMARY               	production and a reduced IL-1β secretion compared to viable bacteria. These
PR:PROJECT_SUMMARY               	results reveal a novel insight into the fate of engulfed microbes and highlights
PR:PROJECT_SUMMARY               	a microbial viability-associated metabolite that triggers host metabolic and
PR:PROJECT_SUMMARY               	immune responses. Our findings hold promise for shaping immunometabolic
PR:PROJECT_SUMMARY               	intervention in various immune-related pathologies.
PR:INSTITUTE                     	University of Colorado Anschutz Medical Campus
PR:LABORATORY                    	Lab of Angelo D'Alessandro in collaboration with lab of Johan Garaude (INSERM,
PR:LABORATORY                    	Fr)
PR:LAST_NAME                     	Haines
PR:FIRST_NAME                    	Julie
PR:ADDRESS                       	12801 E 17th Ave, Room 1303, Aurora, Colorado, 80045, USA
PR:EMAIL                         	julie.haines@cuanschutz.edu
PR:PHONE                         	3037243339
#STUDY
ST:STUDY_TITLE                   	Investigation of global metabolites and E coli-derived metabolites following
ST:STUDY_TITLE                   	engulfment of dead bacteria by wild type or RagAGTP-expressing bone marrow
ST:STUDY_TITLE                   	derived macrophages.
ST:STUDY_SUMMARY                 	Global metabolomics and 13C-tracing analysis of wild type or RagAGTP-expressing
ST:STUDY_SUMMARY                 	bone marrow derived macrophages exposed to heat-killed uniformly 13C-labelled E.
ST:STUDY_SUMMARY                 	coli in a trans-well system for 6h or 18h.
ST:INSTITUTE                     	University of Colorado Anschutz Medical Campus
ST:LAST_NAME                     	Haines
ST:FIRST_NAME                    	Julie
ST:ADDRESS                       	12801 E 17th Ave, Room 1303, Aurora, Colorado, 80045, USA
ST:EMAIL                         	julie.haines@cuanschutz.edu
ST:PHONE                         	3037243339
#SUBJECT
SU:SUBJECT_TYPE                  	Cultured cells
SU:SUBJECT_SPECIES               	Mus musculus
SU:GENDER                        	Not applicable
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	-	CT WT 1	time (h):0 | Dead E coli treatment:no | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-01-
SUBJECT_SAMPLE_FACTORS           	-	CT WT 2	time (h):0 | Dead E coli treatment:no | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-02-
SUBJECT_SAMPLE_FACTORS           	-	CT WT 3	time (h):0 | Dead E coli treatment:no | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-03-
SUBJECT_SAMPLE_FACTORS           	-	CT WT 4	time (h):0 | Dead E coli treatment:no | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-04-
SUBJECT_SAMPLE_FACTORS           	-	WT 1 6h	time (h):6 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-05-
SUBJECT_SAMPLE_FACTORS           	-	WT 2 6h	time (h):6 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-06-
SUBJECT_SAMPLE_FACTORS           	-	WT 3 6h	time (h):6 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-07-
SUBJECT_SAMPLE_FACTORS           	-	WT 4 6h	time (h):6 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-08-
SUBJECT_SAMPLE_FACTORS           	-	WT 1 18h	time (h):18 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-09-
SUBJECT_SAMPLE_FACTORS           	-	WT 2 18h	time (h):18 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-10-
SUBJECT_SAMPLE_FACTORS           	-	WT3 18h	time (h):18 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-11-
SUBJECT_SAMPLE_FACTORS           	-	WT 4 18h	time (h):18 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-12-
SUBJECT_SAMPLE_FACTORS           	-	CT RagA GTP 1	time (h):0 | Dead E coli treatment:no | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:RagA GTP mutant	RAW_FILE_NAME(raw file name)=F2-64-13-
SUBJECT_SAMPLE_FACTORS           	-	CT RagA GTP 2	time (h):0 | Dead E coli treatment:no | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:RagA GTP mutant	RAW_FILE_NAME(raw file name)=F2-64-14-
SUBJECT_SAMPLE_FACTORS           	-	CT RagA GTP 3	time (h):0 | Dead E coli treatment:no | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:RagA GTP mutant	RAW_FILE_NAME(raw file name)=F2-64-15-
SUBJECT_SAMPLE_FACTORS           	-	CT RagA GTP 4	time (h):0 | Dead E coli treatment:no | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:RagA GTP mutant	RAW_FILE_NAME(raw file name)=F2-64-16-
SUBJECT_SAMPLE_FACTORS           	-	RagA GTP 1 6h	time (h):6 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:RagA GTP mutant	RAW_FILE_NAME(raw file name)=F2-64-17-
SUBJECT_SAMPLE_FACTORS           	-	RagA GTP 2 6h	time (h):6 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:RagA GTP mutant	RAW_FILE_NAME(raw file name)=F2-64-18-
SUBJECT_SAMPLE_FACTORS           	-	RagA GTP 3 6h	time (h):6 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:RagA GTP mutant	RAW_FILE_NAME(raw file name)=F2-64-19-
SUBJECT_SAMPLE_FACTORS           	-	RagA GTP 4 6h	time (h):6 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:RagA GTP mutant	RAW_FILE_NAME(raw file name)=F2-64-20-
SUBJECT_SAMPLE_FACTORS           	-	RagA GTP 1 18h	time (h):18 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:RagA GTP mutant	RAW_FILE_NAME(raw file name)=F2-64-21-
SUBJECT_SAMPLE_FACTORS           	-	RagA GTP 2 18h	time (h):18 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:RagA GTP mutant	RAW_FILE_NAME(raw file name)=F2-64-22-
SUBJECT_SAMPLE_FACTORS           	-	RagA GTP 3 18h	time (h):18 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:RagA GTP mutant	RAW_FILE_NAME(raw file name)=F2-64-23-
SUBJECT_SAMPLE_FACTORS           	-	RagA GTP 4 18h	time (h):18 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:RagA GTP mutant	RAW_FILE_NAME(raw file name)=F2-64-24-
SUBJECT_SAMPLE_FACTORS           	-	CT WT 1 + Conca	time (h):0 | Dead E coli treatment:no | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-25-
SUBJECT_SAMPLE_FACTORS           	-	CT WT 2 + Conca	time (h):0 | Dead E coli treatment:no | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-26-
SUBJECT_SAMPLE_FACTORS           	-	CT WT 3 + Conca	time (h):0 | Dead E coli treatment:no | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-27-
SUBJECT_SAMPLE_FACTORS           	-	CT WT 4 + Conca	time (h):0 | Dead E coli treatment:no | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-28-
SUBJECT_SAMPLE_FACTORS           	-	WT 1 6h + Conca	time (h):6 | Dead E coli treatment:yes | inhibitor:150 nM concanamycin A | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-29-
SUBJECT_SAMPLE_FACTORS           	-	WT 2 6h + Conca	time (h):6 | Dead E coli treatment:yes | inhibitor:150 nM concanamycin A | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-30-
SUBJECT_SAMPLE_FACTORS           	-	WT 3 6h + Conca	time (h):6 | Dead E coli treatment:yes | inhibitor:150 nM concanamycin A | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-31-
SUBJECT_SAMPLE_FACTORS           	-	WT 4 6h + Conca	time (h):6 | Dead E coli treatment:yes | inhibitor:150 nM concanamycin A | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-32-
SUBJECT_SAMPLE_FACTORS           	-	WT 1 18h + Conca	time (h):18 | Dead E coli treatment:yes | inhibitor:150 nM concanamycin A | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-33-
SUBJECT_SAMPLE_FACTORS           	-	WT 2 18h + Conca	time (h):18 | Dead E coli treatment:yes | inhibitor:150 nM concanamycin A | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-34-
SUBJECT_SAMPLE_FACTORS           	-	WT3 18h + Conca	time (h):18 | Dead E coli treatment:yes | inhibitor:150 nM concanamycin A | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-35-
SUBJECT_SAMPLE_FACTORS           	-	WT 4 18h + Conca	time (h):18 | Dead E coli treatment:yes | inhibitor:150 nM concanamycin A | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-36-
SUBJECT_SAMPLE_FACTORS           	-	WT 1 6h + Bafilo	time (h):6 | Dead E coli treatment:yes | inhibitor:50 nM bafilomycin A1 | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-37-
SUBJECT_SAMPLE_FACTORS           	-	WT 2 6h + Bafilo	time (h):6 | Dead E coli treatment:yes | inhibitor:50 nM bafilomycin A1 | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-38-
SUBJECT_SAMPLE_FACTORS           	-	WT 3 6h + Bafilo	time (h):6 | Dead E coli treatment:yes | inhibitor:50 nM bafilomycin A1 | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-39-
SUBJECT_SAMPLE_FACTORS           	-	WT 4 6h + Bafilo	time (h):6 | Dead E coli treatment:yes | inhibitor:50 nM bafilomycin A1 | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-40-
SUBJECT_SAMPLE_FACTORS           	-	WT 1 18h + Bafilo	time (h):18 | Dead E coli treatment:yes | inhibitor:50 nM bafilomycin A1 | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-41-
SUBJECT_SAMPLE_FACTORS           	-	WT 2 18h + Bafilo	time (h):18 | Dead E coli treatment:yes | inhibitor:50 nM bafilomycin A1 | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-42-
SUBJECT_SAMPLE_FACTORS           	-	WT3 18h + Bafilo	time (h):18 | Dead E coli treatment:yes | inhibitor:50 nM bafilomycin A1 | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-43-
SUBJECT_SAMPLE_FACTORS           	-	WT 4 18h + Bafilo	time (h):18 | Dead E coli treatment:yes | inhibitor:50 nM bafilomycin A1 | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-44-
#COLLECTION
CO:COLLECTION_SUMMARY            	BMDMs were seeded at 2.5E6 cell/well in a non-tissue treated 6-well plate (2
CO:COLLECTION_SUMMARY            	wells per condition) the day before the experiment. To harvest, BMDMs were
CO:COLLECTION_SUMMARY            	washed with cold PBS and harvested with 5 mM EDTA in PBS, frozen as dry cell
CO:COLLECTION_SUMMARY            	pellet, and stored at -80˚C until processing.
CO:SAMPLE_TYPE                   	Macrophages
#TREATMENT
TR:TREATMENT_SUMMARY             	Preparation of macrophages: Murine bone marrow-derived macrophages (BMDMs) were
TR:TREATMENT_SUMMARY             	generated as described previously, in RPMI 1640 supplemented with M-CSF (30%
TR:TREATMENT_SUMMARY             	mycoplasma-free L929 cell supernatant, NCBI Biosample accession # SAMN00155972)
TR:TREATMENT_SUMMARY             	and 10% FBS, plus 100 µg/ml penicillin, 100 µg/ml streptomycin, 10 mM HEPES, 1
TR:TREATMENT_SUMMARY             	nM sodium pyruvate and 50 µM 2-mercaptoethanol (all from Gibco). BMDMs were
TR:TREATMENT_SUMMARY             	used on day 5 to 7 after seeding. Period of differentiation of the cells,
TR:TREATMENT_SUMMARY             	concentration of cells when replating and time-lapse between replating and
TR:TREATMENT_SUMMARY             	stimulation with bacteria were important parameters to maintain metabolic
TR:TREATMENT_SUMMARY             	backgrounds homogenous between experiments. Preparation of viable and killed
TR:TREATMENT_SUMMARY             	U-[13C]Bacteria: ThyA- E. coli were grown overnight with shaking in LB
TR:TREATMENT_SUMMARY             	supplemented with thymidine (500 µg/ml) and trimethoprim (50 µg/ml), diluted
TR:TREATMENT_SUMMARY             	1/40, and grown until log-phase [optical density at 600 nm (OD600) of 0.8-1.2].
TR:TREATMENT_SUMMARY             	Bacteria were washed with phosphate buffer saline (PBS) to remove LB salts
TR:TREATMENT_SUMMARY             	before addition to cells. For labeling of bacteria, 10 µl of an overnight
TR:TREATMENT_SUMMARY             	cultured of thyA- E. coli was added to 20 ml of a filtered M9 minimal medium
TR:TREATMENT_SUMMARY             	salts (Life Technologies) supplemented with 1 mM thiamine, 1 mM MgSO4, 0.1 M
TR:TREATMENT_SUMMARY             	CaCl2, 500 µg/ml thymidine, 50 µg/ml trimethoprim, and 0.5% U-[13C6] glucose
TR:TREATMENT_SUMMARY             	(Campro Scientific). Bacteria were grown for 72h, washed with PBS and subjected
TR:TREATMENT_SUMMARY             	to heat-killing by re-suspension in PBS and subsequently incubation at 60˚C for
TR:TREATMENT_SUMMARY             	60-90 min. For antibiotic killing, bacteria were incubated for 6h to 12h with
TR:TREATMENT_SUMMARY             	Streptomycin or Gentamycin (50 µg/ml). Bacteria were kept at 4˚C until use.
TR:TREATMENT_SUMMARY             	Efficient killing was confirmed by overnight plating on LB-agar plates.
TR:TREATMENT_SUMMARY             	Treatment of macrophages: 2E6 BMDMs were plated 12-16h prior stimulation in
TR:TREATMENT_SUMMARY             	non-tissue cultured treated 6-well plate (BD Falcons). Cells were then
TR:TREATMENT_SUMMARY             	stimulated with killed labelled-E. coli at MOI 50, centrifuged at 2000 rpm for
TR:TREATMENT_SUMMARY             	5min. BMDMs were incubated for 5 min and washed with PBS to remove non-ingested
TR:TREATMENT_SUMMARY             	bacteria and further incubated for 6h or 18h. To inhibit lysosomal degradation,
TR:TREATMENT_SUMMARY             	cells were treated with 50 nM Bafilomycin A1. To inhibit v-ATPase, cells were
TR:TREATMENT_SUMMARY             	treated with 150 nM concanamycin A. All the above inhibitors were added to the
TR:TREATMENT_SUMMARY             	cultured medium at least 2h before stimulation of the BMDMs.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Metabolites from frozen pellets were extracted at 4e6 cells per mL using ice
SP:SAMPLEPREP_SUMMARY            	cold 5:3:2 methanol:acetonitrile:water (v/v/v) with vigorous vortexing at 4
SP:SAMPLEPREP_SUMMARY            	degrees C followed by centrifugation as described for 10 min at 18,000 g.
SP:SAMPLEPREP_SUMMARY            	Supernatants were maintained at 4°C until analysis that same day.
SP:PROCESSING_STORAGE_CONDITIONS 	4℃
SP:EXTRACT_STORAGE               	-80℃
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Positive C18
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Thermo Vanquish
CH:COLUMN_NAME                   	Phenomenex Kinetex C18 (150 x 2.1mm,1.7um)
CH:SOLVENT_A                     	100% water; 0.1% formic acid
CH:SOLVENT_B                     	100% acetonitrile; 0.1% formic acid
CH:FLOW_GRADIENT                 	0-0.5 min 5% B, 0.5-1.1 min 5-95% B, 1.1-2.75 min hold at 95% B, 2.75-3 min
CH:FLOW_GRADIENT                 	95-5% B, 3-5 min hold at 5% B
CH:FLOW_RATE                     	450 uL/min
CH:COLUMN_TEMPERATURE            	45
CH:SAMPLE_INJECTION              	6 uL
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	Resolution 70,000, scan range 65-900 m/z, maximum injection time 200 ms,
MS:MS_COMMENTS                   	microscans 2, automatic gain control (AGC) 3 x 10^6 ions, source voltage 4.0 kV,
MS:MS_COMMENTS                   	capillary temperature 320 C, and sheath gas 45, auxiliary gas 15, and sweep gas
MS:MS_COMMENTS                   	0 (all nitrogen). Data converted to mzXML using RawConverter. Metabolites were
MS:MS_COMMENTS                   	annotated and integrated using Maven in conjunction with the KEGG database.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	peak area
MS_METABOLITE_DATA_START
Samples	CT WT 1	CT WT 2	CT WT 3	CT WT 4	WT 1 6h	WT 2 6h	WT 3 6h	WT 4 6h	WT 1 18h	WT 2 18h	WT3 18h	WT 4 18h	CT RagA GTP 1	CT RagA GTP 2	CT RagA GTP 3	CT RagA GTP 4	RagA GTP 1 6h	RagA GTP 2 6h	RagA GTP 3 6h	RagA GTP 4 6h	RagA GTP 1 18h	RagA GTP 2 18h	RagA GTP 3 18h	RagA GTP 4 18h	CT WT 1 + Conca	CT WT 2 + Conca	CT WT 3 + Conca	CT WT 4 + Conca	WT 1 6h + Conca	WT 2 6h + Conca	WT 3 6h + Conca	WT 4 6h + Conca	WT 1 18h + Conca	WT 2 18h + Conca	WT3 18h + Conca	WT 4 18h + Conca	WT 1 6h + Bafilo	WT 2 6h + Bafilo	WT 3 6h + Bafilo	WT 4 6h + Bafilo	WT 1 18h + Bafilo	WT 2 18h + Bafilo	WT3 18h + Bafilo	WT 4 18h + Bafilo
Factors	time (h):0 | Dead E coli treatment:no | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):0 | Dead E coli treatment:no | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):0 | Dead E coli treatment:no | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):0 | Dead E coli treatment:no | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):6 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):6 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):6 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):6 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):18 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):18 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):18 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):18 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):0 | Dead E coli treatment:no | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:RagA GTP mutant	time (h):0 | Dead E coli treatment:no | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:RagA GTP mutant	time (h):0 | Dead E coli treatment:no | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:RagA GTP mutant	time (h):0 | Dead E coli treatment:no | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:RagA GTP mutant	time (h):6 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:RagA GTP mutant	time (h):6 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:RagA GTP mutant	time (h):6 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:RagA GTP mutant	time (h):6 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:RagA GTP mutant	time (h):18 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:RagA GTP mutant	time (h):18 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:RagA GTP mutant	time (h):18 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:RagA GTP mutant	time (h):18 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:RagA GTP mutant	time (h):0 | Dead E coli treatment:no | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):0 | Dead E coli treatment:no | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):0 | Dead E coli treatment:no | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):0 | Dead E coli treatment:no | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):6 | Dead E coli treatment:yes | inhibitor:150 nM concanamycin A | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):6 | Dead E coli treatment:yes | inhibitor:150 nM concanamycin A | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):6 | Dead E coli treatment:yes | inhibitor:150 nM concanamycin A | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):6 | Dead E coli treatment:yes | inhibitor:150 nM concanamycin A | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):18 | Dead E coli treatment:yes | inhibitor:150 nM concanamycin A | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):18 | Dead E coli treatment:yes | inhibitor:150 nM concanamycin A | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):18 | Dead E coli treatment:yes | inhibitor:150 nM concanamycin A | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):18 | Dead E coli treatment:yes | inhibitor:150 nM concanamycin A | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):6 | Dead E coli treatment:yes | inhibitor:50 nM bafilomycin A1 | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):6 | Dead E coli treatment:yes | inhibitor:50 nM bafilomycin A1 | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):6 | Dead E coli treatment:yes | inhibitor:50 nM bafilomycin A1 | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):6 | Dead E coli treatment:yes | inhibitor:50 nM bafilomycin A1 | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):18 | Dead E coli treatment:yes | inhibitor:50 nM bafilomycin A1 | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):18 | Dead E coli treatment:yes | inhibitor:50 nM bafilomycin A1 | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):18 | Dead E coli treatment:yes | inhibitor:50 nM bafilomycin A1 | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):18 | Dead E coli treatment:yes | inhibitor:50 nM bafilomycin A1 | Sample source:murine bone marrow derived macrophages | genotype:WT
L-alanine	8388805	10821440	10659070	9481837	8927137	11527780	12397570	10415410	27528170	17921080	15796310	17727980	17446460	13142740	12182750	6237980	12578520	14539130	14035690	7603118	27749100	23600980	27661940	11547300	12647880	13086780	12833120	15278450	12932820	11324820	18012160	15793180	21424930	10060080	25337300	33462330	7914716	7790308	6211872	9519207	4450578	3151321	5035226	4907696
L-arginine	2730558	2838388	2621865	2138638	2504908	1539459	2259208	1524562	4182437	2432184	906706	1473723	3193514	2742951	5056814	1666932	1918251	3689634	2016978	1063429	2776749	6258934	4724733	1337032	618667	685522	732824	820460	638564	703368	897472	849436	1357975	108838	452078	1243267	775958	777122	725013	1575263	327585	199693	345442	248327
L-asparagine	904648	1049418	870329	1053401	1117268	919700	1435882	831383	3656331	2232398	1631009	1390939	1734270	1219610	2000925	651055	774500	1394084	1071612	446436	1882336	1806049	2712486	1558174	990136	859969	715891	732485	776322	796397	811765	651812	1072290	504898	922038	1119666	478077	472396	234470	569822	279676	144567	220522	267179
L-aspartate	2701537	4244160	2287852	3197569	4124442	3567604	4065193	2754584	3105240	2670231	2068126	1408054	5188996	4735642	5138405	4656068	2018305	3493532	4412594	2305174	6001300	3952874	4921258	3502369	5784886	8113554	5153232	5774552	5666642	6274220	6227442	5421108	4619240	2335654	4525170	6023278	6464788	7380610	4309642	3708447	2685322	2251818	4172430	4004788
L-cysteine	1478168	2418984	1313167	1942622	2697690	2563829	2527244	2116580	8927877	8100306	3402101	5698126	2881163	2252166	5599016	763859	3286227	3137909	4345658	1340579	5423376	4767522	10192780	5609120	1071379	1353870	871716	704995	941878	801623	1064818	828055	1533238	889115	1363563	1487792	490777	598924	296640	471356	155854	102232	205760	139865
L-glutamate	29077130	43319630	47861610	54992900	46114280	43382600	71956650	48886660	22507940	25577160	35667780	43352050	58450500	35531670	60421420	48935640	44323950	53428430	52564360	38411560	25155440	25502230	26615680	28230480	51664130	65632000	58355920	63735390	55800140	54422280	76988150	59197190	58943680	28132980	49405920	74804520	47012860	55323120	29887240	39546770	16384390	12622350	20119600	24342980
L-glutamine	6040888	8238820	6788126	7795670	4342649	4980248	6827034	4328003	14389640	8510538	9666094	7393368	10250400	7051714	16533760	4467110	3428345	6964068	6807946	2469100	6669086	5700436	14682070	7742622	3979316	5348408	4220154	5646516	3396229	2980389	4538924	3478920	6053608	2989103	4572272	9185137	2512492	2775719	1543237	3902081	1499991	756520	1594344	1623138
L-histidine	375280	438887	308743	399687	341366	305218	374138	389105	2156950	922572	444954	512924	709097	624734	881631	395474	348684	673898	610832	207570	1035667	1140681	1212630	598096	820717	703609	414149	612043	754913	475703	480665	562040	678345	293898	631130	803183	586623	480343	224298	458549	166977	181875	164539	184883
L-leucine	24417130	23470910	18146240	18789870	16658000	17080860	15905960	14424260	89163460	50202190	20810720	28195770	46568140	41684460	77131970	19335350	35272380	51331440	54200030	16400460	75630100	69022460	131195000	42797020	11027980	12121550	8812289	10451180	9574393	9558289	11641820	11437460	25160500	9739357	20138910	28756020	4871088	4771448	3471238	6652090	3300345	2033584	3630550	2432872
L-lysine	2021120	1916859	1252721	1654608	1587758	1206322	1358127	976947	8697425	3391946	1215086	1641286	2611839	2276711	4335272	1173608	1279102	3303299	3127888	650212	3975045	3871110	6979706	1894724	902573	1049574	681347	686646	917942	755868	775789	650869	1656625	597443	1162514	1200930	570626	488529	253791	444347	163241	115003	182284	218942
L-methionine	5982102	5338784	3894193	4414524	2129585	2102308	1893318	1986163	24888930	11541020	4155211	5199142	6409476	6064158	10897480	1960142	4685302	9618760	7771868	2032440	13367460	14837390	23760030	8271216	1330789	1538639	990540	1142598	1128354	1081539	1499216	1236774	2431504	1007956	1957952	2877406	572335	481283	368167	636705	226436	152306	317181	163394
L-phenylalanine	5593366	7144422	4050418	5024960	3251624	3339287	3337881	2966541	26965750	14409550	5765152	6758070	8260496	7696000	14014590	3604611	5534842	7762374	9451824	2641655	17363550	12808710	29819030	10929630	1797040	1760081	1137121	1480243	1342668	978966	1709109	1647657	3338741	1016161	2257973	3741027	856733	835081	466743	646280	399987	359887	484363	343534
L-proline	7451342	10292790	10459270	8635265	11388750	11357400	10058050	10088570	33306270	23139040	14172400	14780480	16377320	11980750	14296460	5057927	11487360	14163820	10388110	5176450	27285080	23925120	22798340	11544680	12370240	14341100	12317090	12459750	12698770	12436770	15907050	13174350	23836680	11575360	21444340	28383430	6761916	6235048	3969949	5825792	2640677	2300197	3525299	3013258
L-serine	1173211	1113204	741086	1027238	847587	819966	965115	798207	6546974	2762638	1872206	1449313	1695366	1564897	2589113	930985	616675	1500645	1153774	441064	2590293	3231025	3400743	2149624	1334725	1270916	774771	1114212	957620	1099525	1229625	973367	1523454	866307	1094265	1490944	1639011	940133	448990	879968	615204	579501	446370	604877
L-threonine	1721597	2318852	1640288	1623705	1452557	1633734	1674958	1304654	9899872	4007473	2109702	2734410	3241790	2862448	3660783	1528492	1595309	2838622	2810375	783204	4714218	4931188	7005594	2816099	2136436	2471446	1561942	1898393	2086578	1993799	2124157	1800199	2732534	1299861	2161182	2614334	1608556	1422293	783257	1311468	535755	456006	490110	543028
L-tryptophan	643603	891406	596244	562848	647073	815446	495124	722612	4179879	1900657	754789	955405	1439813	1509330	2174187	513589	1249829	1386768	1669571	500935	2125124	2474162	4140086	1624850	652658	664415	537120	472649	439995	367591	517168	654468	723781	366236	837831	951952	325863	232534	212032	354166	141666	94178	124071	85026
L-tyrosine	2871604	2661596	1989125	2250860	2057642	1931627	1863808	1695330	20841780	8771151	3426111	3150794	6274454	6279642	11247050	2978530	4321282	6580084	6937320	1908761	11894110	11930340	20696220	8943396	1862948	1898216	1060742	1566342	1406618	1195070	1837237	1690561	3501499	1568525	2802353	4189071	831202	846079	508371	952048	470627	339217	442023	364015
L-valine	10446480	11068210	9027383	9324004	10373750	9793396	11083230	9991813	42880510	25868760	16872580	16530150	21848260	19354850	31562360	13029700	16378700	22683700	23032930	9629896	34007840	33220480	53565950	27749130	9116035	10126520	7375576	8089988	10091940	9939913	11575290	11528120	18804120	8713024	17420600	26036720	8015454	7946710	5852984	6843438	4713804	4382427	5187344	4936764
AMP	4573732	7095966	6204500	6656660	5793410	5460672	5353518	5135002	6159712	8523457	6240248	9289069	20186360	13622930	18435880	6254784	9569828	10332230	8987360	6701820	15593830	16703310	13859900	6652454	8174680	9225091	6564100	6627060	3959961	3921187	5216126	3913357	3820716	3160561	6255334	6849632	4219448	5271182	1741123	5186148	932684	593033	994427	1011472
dAMP	14708	8763	19896	8360	162077	89546	67159	135219	53350	80670	66923	81882	27796	22147	10862	31706	148316	126486	92794	166370	82935	88118	77314	67166	26143	19257	36254	36221	51907	51923	45481	48095	52970	22265	57373	45748	30556	18662	74215	38529	5321	6854	5578	4172
Adenosine	8148984	7988904	5004394	5168028	2392860	2175455	1333747	1241974	1820480	3333335	2318642	2485852	3473717	3115096	4611098	1204694	2591379	10310830	4295098	734057	2540710	3319314	4511383	3605792	1261468	1590209	619302	770360	945660	557524	1035107	608371	888239	683759	1287566	1198055	1210802	663351	166607	657391	287207	168830	226071	286417
Adenine	1271713	1446262	891372	967788	926600	949916	691053	655083	776557	647820	738244	892685	1227638	996705	1236707	655395	892701	1954420	1254564	523585	1121985	1325206	1584207	881220	643868	749034	453351	560212	617133	612386	839691	602228	857049	614859	878353	846940	835008	641211	315403	546918	328253	277634	306548	288745
GMP	279081	794230	351288	507174	238497	158247	246278	186856	1737522	1648315	1038923	1221580	1024929	627718	685530	213587	496262	641893	341927	344573	1658255	2234545	1718856	870399	313421	497520	344396	225368	361836	277055	547329	239903	815187	264900	992966	1082117	226434	211854	80024	267272	49477	37064	47895	42324
Guanine	203888	193856	128872	132605	48389	88801	41622	72084	690820	387682	121949	134836	268774	223645	300371	68981	191020	321771	269291	63879	459664	437223	782430	289453	43476	61793	93535	93359	117891	122823	126801	117824	67196	38175	71696	95763	49499	64832	46927	41063	29800	29291	49266	77610
CMP	284014	381210	379786	366535	232022	279186	271265	197975	378753	426804	291940	399330	495517	372841	430591	234230	225526	242610	204125	151394	297106	397997	485691	396535	387749	528113	395850	345224	206903	188570	273549	225226	220522	147460	369511	387639	137842	139633	92174	151385	24678	18997	27054	17168
Cytidine	174953	417788	226164	242097	71269	114653	111701	73311	1665474	1512862	625713	691961	264240	147853	294816	222003	124477	264991	94222	58030	1042655	996436	966742	707959	686371	806579	404346	393082	92502	29649	51930	44516	144715	50454	171632	121118	33529	30449	33226	20299	11382	4627	20238	4580
Inosine	1452131	2433946	859586	1913649	343469	507091	423831	491363	4548018	3822259	1733183	2428965	674625	457245	941474	332431	680034	1565520	862758	89490	2867553	3527761	6671234	2734454	452566	558210	274683	416634	260213	232905	412984	207302	565047	621344	1077804	911116	261258	100127	33996	248289	43778	14811	30609	46433
Hypoxanthine	12446560	18840650	7450388	15538130	4495704	5906536	6028152	5221774	52544760	43763460	21216100	27860580	6703046	5250148	8638140	3357483	6666448	13153850	10374830	2013713	39508900	42146730	69979740	24035940	6238524	6720398	4285132	5104690	5135804	4278652	7847188	4854950	14495410	11063600	18233800	16454220	2887508	1902126	915775	3342623	715660	555391	827497	963247
Allantoate	86180	87884	65626	67571	271768	149437	155355	135138	589695	308416	145924	241092	123350	110653	67717	59726	111383	150388	108367	88246	454164	537304	528654	267947	192498	148415	104378	129001	266992	161510	219618	168934	1300678	663807	1115713	704438	152226	100206	58540	92577	168795	122437	155810	182101
5-Hydroxyisourate	112427	152330	174634	121073	73779	71168	104362	105575	227330	200945	155567	153740	389398	169331	359172	77078	125706	166379	90260	45452	220027	102260	301160	170489	95443	192601	109880	180917	93149	51637	140274	63560	122167	12670	153103	276680	36315	77385	20688	85393	6343	3185	5408	14977
2',3'-Cyclic CMP	0	6332	0	0	35260	10662	32083	18420	14918	16914	16984	57099	14148	0	5445	0	42120	45637	33101	32893	3702	17017	35608	35792	0	15385	0	0	9644	8316	9230	5809	14887	4303	20011	21175	18732	9330	9422	17673	7475	6501	6786	4053
5-6-Dihydrothymine	171951	207512	208725	232775	190943	232829	236866	233211	607325	592051	382016	685901	472732	400604	293141	246257	356369	433519	505283	279797	1229724	1062720	1500165	603894	287643	361177	284853	319106	303133	261159	301184	334058	1167003	398663	1376340	1541199	234807	307105	206071	228884	239040	168028	261335	274440
Pyridoxal	155979	122810	73891	76757	122205	159525	93109	108408	231068	153555	164460	185513	92127	63614	179096	84456	70125	121115	147697	56359	175010	98418	225990	64745	75590	67959	44836	74002	91530	57488	91199	73564	94997	50333	91017	118364	61693	47132	34950	63539	35461	36439	24713	33727
Nicotinamide	8040062	13978040	5296324	9778779	6831882	8879872	4156962	7236104	35434370	50825060	23717560	37715940	13771140	12549830	17985190	5720348	12016700	16980930	17217900	6922462	32854100	38224400	49761920	14857480	7592060	15177880	5516910	6232252	7740494	6003742	4839948	5188092	12742580	5582986	16501040	21176190	2458379	2167453	1054944	2235846	638112	660528	755639	665907
NAD+	205263	269378	373915	417278	247906	334092	321650	421382	39051	44617	36949	59834	1061681	707784	1035312	724960	520782	618938	426095	354106	73432	49622	141747	14117	417576	519936	530870	615997	261405	157100	439785	339433	19403	4028	118774	108308	156180	164137	158001	234456	37750	26346	61353	28182
Glutathione	15055960	19428380	14434540	17049780	16232500	16069090	15280180	14280020	22812800	30228160	21398950	30018840	32715950	25797330	37135660	23430780	19669300	24132660	22635190	18060190	32481350	31089090	35584900	20456970	22557420	24422960	18672310	23821000	14315110	13047290	16426310	13913240	19996130	8167302	19960290	33521570	9877283	13755600	10554450	11557270	3315045	2477409	4586681	3188627
Glutathione disulfide	27567	17729	29696	5876	14614	15859	20983	23751	53604	67804	100529	77015	40154	20669	17093	52491	17816	17287	6761	22333	133279	63768	58488	62946	76375	103170	114715	176630	117160	60273	91679	43875	115202	55190	93448	121598	77913	89209	59335	90858	31640	15795	33477	29098
5-Oxoproline	12107150	16490500	18932780	20137990	15558940	14913680	24187370	16405980	15143160	12558690	16316840	16953630	23061790	13583510	26772670	16383080	13116760	17868660	18966190	12464190	11272920	9532512	14568260	11271330	17363060	21748390	19335060	21169350	17612590	17232740	24274980	18290530	19129700	9600949	16421990	24643920	14786230	17754570	8646869	13805960	5729792	3977751	6460334	7512650
S-Glutathionyl-L-cysteine	125116	116298	116233	116990	63173	63568	53041	57064	75693	113978	236834	112683	77866	107391	55234	124968	20391	89512	54834	38117	77694	264508	100328	173600	199233	144796	126303	139595	121977	100862	106010	89559	483691	245937	632754	537350	58831	94627	44353	53829	61654	11409	78085	58520
Cys-Gly	180100	222758	116451	141615	164905	215008	142631	121989	217237	251078	178940	212869	300565	327104	424652	171985	196531	389918	291746	116481	255423	340442	486989	146912	144127	176131	114726	149644	101259	70644	119304	96886	124808	57199	136651	233925	87551	103056	67774	61313	22805	22166	26702	23980
gamma-Glutamyl-Se-methylselenocysteine	47017	31544	30828	28091	105768	60885	77515	47944	298133	259757	126364	157590	36602	34093	30916	9142	20784	67810	61143	21098	186952	178623	204390	114818	76690	33122	38126	54696	120600	76791	90969	78355	478160	256695	375863	256812	68539	41669	22231	28710	88356	66671	83248	78758
gamma-L-Glutamyl-D-alanine	418978	542391	291875	478359	436626	554815	396186	367403	554573	632614	385412	564069	750860	722014	1125957	295453	503572	1216125	982565	347665	513718	977219	984242	400615	136217	130794	104830	132278	121105	82713	110047	117235	198845	51171	179806	258236	102499	104580	71050	79354	36312	44722	76775	37852
gamma-Glutamyl-gamma-aminobutyrate	610769	723187	463599	415855	663783	737963	523121	524044	920309	827723	379968	473988	1172777	1260177	2015552	504057	818474	1267777	1579476	501370	690447	1131472	1946866	652482	96647	116558	70654	68590	66467	50982	74051	56170	47200	14330	30300	60983	39813	41236	20918	24355	0	0	4588	8674
gamma-L-Glutamylputrescine	428252	300113	191524	336447	249296	203531	156555	210297	297442	172806	47772	143887	511529	462701	641984	112792	383543	671122	620030	171102	148747	291279	720542	119992	2037	0	0	1759	0	6940	2286	3837	0	0	0	3226	535	2243	0	21902	3131	0	0	2828
(5-L-Glutamyl)-L-glutamine	157160	199365	125306	145011	164766	185700	165311	153506	180747	198157	125368	182511	264794	340013	450243	115570	129749	422739	392411	106098	145602	307112	436268	126188	85086	68543	57921	93251	59880	42331	98423	77642	109194	59216	116959	158954	70307	52114	35219	50104	29412	32830	31569	32344
L-Homocysteine	35252	17893	33026	7568	31275	35066	51881	33393	67758	32000	6231	19015	69116	47211	70456	21750	40512	72111	61108	22353	61929	73095	102292	33697	23318	14828	35291	20660	37307	18310	23368	26197	0	9032	1779	24256	0	6043	0	0	0	0	0	0
Cystathionine	65838	107150	49918	74294	103865	106547	68266	65624	51127	85040	33559	68049	86868	118365	256620	18861	111850	271875	202839	41090	34420	123834	162112	27983	30198	24507	7664	5140	1463	0	7012	7927	23653	7537	18563	32075	5489	0	5382	7134	3525	0	6728	5546
Dimethylglycine	848738	1357672	945121	1141119	14945020	7859634	12625150	9477931	4293250	3343201	3997074	6123040	2027271	1212820	829907	548394	8951067	11295640	6550606	6310338	8394184	6577930	8510986	3265058	1484679	1496332	1297568	2214519	1006290	908183	1228051	1337562	1500199	681668	1993941	3056451	890092	1119428	798558	1105639	414698	293438	497480	473387
Phosphoserine	0	78994	146104	80930	65378	60264	136030	131169	55477	71451	71260	40285	192410	62501	88578	102053	148825	161158	96998	66525	49141	45277	21938	80727	137602	231197	184089	240797	199625	97835	227983	126813	100107	61604	103459	191429	88153	127699	73433	158623	63749	87687	81624	133810
S-Adenosyl-L-methionine	17401	68943	24704	47554	50124	58168	34311	53677	180225	141995	73015	123194	72320	45678	91116	31697	60634	92056	86448	30662	260892	372575	204804	64164	58480	20689	42156	49582	50112	28853	58805	19930	61518	38445	91041	87515	42756	47700	12524	50893	11082	10054	20769	30548
L-Homoserine	1721597	2318852	1640288	1623705	1452557	1633734	1674958	1304654	9899872	4007473	2109702	2734410	3241790	2862448	3660783	1528492	1595309	2838622	2810375	783204	4714218	4931188	7005594	2816099	2136436	2471446	1561942	1898393	2086578	1993799	2124157	1800199	2732534	1299861	2161182	2614334	1608556	1422293	783257	1311468	535755	456006	490110	543028
Ornithine	160049	149208	139103	120119	462991	264844	284811	146007	1687498	684108	322516	591515	233082	212597	194735	86817	154864	261690	282646	164350	864466	1084450	1373698	422363	362353	281026	201703	224320	485436	283925	421388	293033	2623759	1015400	2003018	1610676	280688	191220	80039	144627	192942	169821	220716	306949
L-Citrulline	1891744	2100952	1695789	1852795	5854706	3412461	3994882	2605518	18622170	12478440	11521970	8865239	7081442	4251057	6454868	3618261	4136036	7821962	5869730	2126268	10185670	11626260	12081350	12353690	4656500	6289862	4024379	4338868	7954910	6699754	8220668	4313544	53133490	13751030	37560570	28410570	4254824	4486198	2378766	4232124	2118050	1388144	2014252	2469656
Argininosuccinate	81040	115924	97567	85527	308370	168914	247718	73176	93538	164048	413366	126603	116149	109649	132554	73840	131142	184761	84653	54066	103551	143484	112050	238170	62994	130170	103521	77641	82028	121779	147559	88970	167380	55107	186488	245898	49759	68371	45426	79950	14782	23675	25362	42876
Cadaverine	9812	0	0	0	144617	104954	96112	100098	255452	372734	72236	207447	0	0	0	6311	87410	123823	74589	113138	155946	303858	458316	120415	1633	5261	0	0	323324	460811	407494	338336	1451108	654830	1082447	656683	223825	297223	418164	259197	273368	305292	301767	214723
Putrescine	138902	272371	147814	157646	557559	827090	520162	806604	1102757	1468574	430945	1005139	386477	250819	400402	357942	1355096	843679	705028	1004104	1671228	1613671	1892394	1049988	236482	500595	209884	333965	640202	1192006	905113	947304	1431942	1048277	1415704	1239606	723952	880782	644554	793830	266029	185512	232971	200455
Spermidine	13030600	14601720	12786280	15359020	10656950	16608410	10134350	10617580	16326230	17221780	12588180	11534750	10170300	11171260	18130860	9481277	14643620	8958908	12709670	10223740	12069380	12122240	15908210	9483373	14357920	13000720	8979482	10051410	4333640	4102470	3084286	3584595	3501604	5852960	4979336	7180130	2146663	4170674	3773150	1761363	1048060	524072	1392602	945324
Spermine	1578057	665174	1890067	1407252	356685	475205	354326	452834	218046	160692	223682	81848	247624	393341	653594	313994	330996	315641	372183	326318	114962	240176	262732	376301	869465	371460	754383	529283	141557	75624	367652	367598	114692	161112	250261	159056	142992	108432	136125	181797	86307	31130	114968	58360
Carnosine	61019	62408	48804	59815	55122	38327	49835	47969	108099	86770	37378	83079	115818	95470	148301	23903	67543	114643	129947	26133	111166	72590	217579	63759	9253	27239	12143	29708	14585	0	15331	5094	6357	0	6184	7656	4994	5905	5860	11496	0	0	0	0
5-Guanidino-2-oxopentanoate	2618	2349	4536	2774	29199	5979	12971	4466	13637	16545	13001	2677	2341	2141	2476	5178	11370	11633	39438	23140	16719	52039	16813	13857	2396	9136	3115	2162	69108	128277	104682	85574	415518	74922	187972	264195	108876	118975	87474	47339	17333	21874	17368	27631
Phosphocreatine	965326	492349	346088	548709	205755	592367	182574	578625	1289876	1436925	875182	1617443	1172484	1300649	815686	1116239	1145289	2356543	2404188	650222	982502	1314492	2128617	1097320	472495	717472	229769	908847	279349	131997	121400	300647	5207592	4135629	4228976	6355802	271486	293293	286608	281025	421457	286039	385946	316246
Creatine	19657720	37657610	25650200	35613380	30858090	33692180	30970460	33203660	128235500	146369300	111067500	186778200	67265470	71246860	73802100	46868760	54556910	61870180	71204230	44747540	145510400	233251100	247759000	129814900	49305190	59135450	42064480	59630960	43406060	33061700	36632230	49118860	306108500	100415300	401655300	453405700	46628930	51207720	39333980	36085330	39177800	28825410	45523310	40798910
Creatinine	833905	1063924	1066594	884436	1162008	1181450	1107365	1243754	2129313	2171232	1506122	2090380	1893469	1412809	1474917	973777	1791194	1719498	1532145	987590	2659923	2692291	3570027	1912134	1293665	1437541	1188058	1587405	1368731	1050066	1347016	1375594	1784972	1059574	2388677	3121100	885384	994821	1299251	1367523	693307	355582	583474	565188
4-Acetamidobutanoate	68957	75074	66642	58536	63167	63051	61331	53174	82982	68969	61447	75439	99548	117159	101683	39283	57733	92672	86039	33182	60794	70214	99390	34415	60877	62786	49850	73695	54871	34172	61898	60500	53271	46679	52896	57428	34537	44644	62371	49191	39949	38649	46026	43088
N-Acetyl-L-citrulline	345658	393797	238209	322760	182606	190233	165705	152678	377287	282661	92203	166908	344601	373306	566995	94610	274264	606317	586411	97553	210017	440146	637488	175200	0	13006	12925	5733	8117	7811	7901	7085	13138	2789	1960	3050	13288	11736	17195	6156	8261	2818	13391	4094
N-Acetylornithine	1434420	1553091	925232	805657	787062	937509	668904	699526	1514386	904783	517186	645506	1487239	1787421	2771344	469003	1284044	2709891	2482929	522118	930242	1735462	3679787	944661	142778	135523	82107	104909	98444	78913	150084	93377	223429	177370	275476	344554	82390	75365	31311	76507	56380	63343	82686	61460
Guanidinoacetate	1553310	2718378	2785209	2782319	1267392	2372044	2733730	2561652	1331601	1679221	3417603	2463550	6383238	4671890	5877532	2914669	3115061	4010464	4682666	2272795	3497954	2542373	4201784	1380783	1923211	2747928	3531165	3405359	1648357	1573867	3629500	2800851	1080522	495998	2630722	3107453	473199	601898	391606	522648	123873	75285	171850	146576
5-Aminopentanoate	10446480	11068210	9027383	9324004	10373750	9793396	11083230	9991813	42880510	25868760	16872580	16530150	21848260	19354850	31562360	13029700	16378700	22683700	23032930	9629896	34007840	33220480	53565950	27749130	9116035	10126520	7375576	8089988	10091940	9939913	11575290	11528120	18804120	8713024	17420600	26036720	8015454	7946710	5852984	6843438	4713804	4382427	5187344	4936764
Pantetheine	50817	43142	18397	42726	21151	39178	7913	18772	24208	24205	0	15075	43836	69016	63174	18347	39382	108592	75204	7604	13653	17613	134489	51846	0	0	0	0	0	0	0	0	0	6588	0	0	0	0	0	0	0	0	0	0
Pantetheine 4--phosphate	67932	42560	39659	44354	60930	106364	65746	66182	76035	80593	15992	57704	84536	72842	146174	47949	97947	131381	134299	50437	71965	91597	158491	23259	77051	33646	14176	40606	39521	16445	5009	15109	19585	3687	19613	16296	3673	23547	25819	1534	0	623	0	4711
Hypotaurine	1354273	1732965	1455278	2037817	1318892	1499910	1718793	1341650	2066643	3080737	2342971	2916090	3916340	2875577	2911742	1910751	1615220	2822247	1793363	979420	3055917	2626304	2348462	1661197	2310636	3087801	2034573	2992208	1949265	1552516	2123670	1698041	1872853	951812	2956154	3606908	1854741	2045068	917852	1536771	835722	562740	917152	1292645
L-Methionine S-oxide	61384	56212	48507	46777	93019	91896	84156	66483	177835	109432	71154	99645	177943	136549	181742	138341	89522	131411	137272	39389	163487	166670	223949	157754	79708	84841	58443	54261	73452	83008	89332	71197	174628	110605	177576	206839	68205	43629	22569	47921	23955	20196	13235	15461
5-Hydroxyindoleacetate	0	0	802437	648465	1129763	0	0	573790	0	747296	0	442402	0	0	556271	503375	1458000	267310	1862944	677558	950314	0	2091934	669604	887613	589004	0	1232082	1055978	0	563025	278621	342181	0	1107164	0	350120	538393	0	663763	169575	181631	292373	124210
3-Methyldioxyindole	37689	43694	41898	44221	38520	54314	32383	48566	172137	99461	61609	56168	74339	78269	100523	34970	68905	70503	86184	33616	104828	107836	175078	74418	36796	37361	41710	34380	29219	28826	34871	38811	43818	34942	49989	52105	22812	25226	24417	31509	21911	25826	39610	24129
Indole	66265	68490	46655	76997	51017	40140	42394	56746	314197	148711	59411	103157	76563	73921	146670	70830	57304	82721	130263	37015	154537	94205	351806	110390	41881	41046	26496	25591	38922	33564	21658	29833	43439	23306	22036	68731	24346	24550	20926	18991	19813	22003	24722	28205
Indole-3-acetaldehyde	44053	36095	8624	21550	27908	19636	18991	1924	60149	55320	49167	44933	37347	65230	35558	16911	37895	51372	49307	1814	72740	22146	61417	76772	2921	4109	1952	3502	26133	19010	30517	7284	185159	52376	132336	69114	7762	5695	6341	16822	3989	4859	4209	4323
Indole-3-acetate	186316	261121	293074	177652	184737	168950	193444	166167	260695	161049	124886	201453	288437	179415	485933	245555	240763	162941	157681	99452	470146	296665	436586	153020	280442	265618	330618	320099	134499	74927	90481	235765	67953	81319	104403	144284	128208	110003	130745	191136	86526	36265	71635	45606
Indolepyruvate	53516	33238	43238	35353	32774	26787	17201	52787	163506	90801	46322	30126	52846	79545	131100	37707	98367	143485	65513	56026	159565	162143	101157	100303	20611	8631	28969	25757	47623	25723	22034	37783	60582	34005	19334	55409	7041	21337	26729	16372	5886	6830	4781	3191
kynurenine	24694	24493	13392	14218	8116	20167	4089	25815	0	31755	8948	11716	11530	19542	31168	6573	36064	57994	48661	24605	17040	20579	17020	2466	17868	2399	6900	12123	6546	7086	2244	6232	13785	11619	11335	16452	12211	5633	10494	3031	8861	6318	4919	8825
N-formyl kynurenine	210634	242791	142556	205019	213880	213382	178792	171440	218962	221732	101955	125817	249227	328578	514756	104815	253403	497760	532625	109698	143654	186681	441038	69636	36907	20536	22005	14116	11245	23176	29248	11169	13017	27967	3716	33969	26601	20556	7643	11924	4874	3158	5751	8369
Anthranilate	192969	225583	347774	173451	244894	251652	1082047	305368	808422	493453	281333	396360	232798	246178	244232	106453	474392	296285	253053	173360	778769	571983	511548	304174	237259	299017	265316	250216	321506	195457	213134	326381	339174	127323	311289	323967	113617	110419	133425	98712	91715	65697	87668	69006
Picolinic acid	2361627	4737989	2484112	3782658	3864340	4916821	4960205	2760273	9138543	7722552	5668882	6730444	5589876	5264800	5401505	3628098	3749568	2204342	5449444	3173614	8726556	6587232	9619095	2945747	3734925	3938830	4500480	3202755	2830480	4003522	4307046	3311013	4046785	2963088	4581396	5114036	2555497	2893388	1003094	1431098	473186	664374	1099618	760713
g-Oxalo-crotonate	980551	1011319	883487	1108029	496896	524901	607031	823098	3046236	2962167	1858838	1902561	438062	424405	387074	225211	1116356	834942	564684	358770	4212404	2705233	3620509	1496161	592429	627958	586914	570857	741862	413627	867440	620698	1267305	728797	1461118	888526	231680	157975	152005	339699	61607	62151	88489	58230
2-Aminomuconate	16786	29316	28511	19485	18260	17043	20379	20393	29743	24053	15938	23876	22595	26190	51372	29299	30937	18115	15263	3712	59294	32234	40030	19757	38885	42573	34116	35962	10050	0	7961	21358	7792	4514	12662	21392	14505	3892	15214	17554	5351	0	5401	3581
L-Adrenaline	372850	392747	330235	396284	128897	165412	175139	181518	285444	252635	316698	287311	447074	468109	520946	373751	339734	258230	381061	276561	403219	421152	324187	144057	278614	250332	240347	297004	190807	264267	340491	356686	268096	189766	352940	309596	230971	171141	178993	134518	57212	22021	67066	54501
Dopamine	64794	47787	49655	18491	35770	28583	9601	40719	158405	84036	27572	43056	59235	79546	116687	9516	111482	151895	137606	38900	167499	159828	191416	87408	10363	0	19678	23586	22357	9568	19906	28736	59172	0	15601	15528	16534	8980	19724	18623	23228	15807	17067	16100
Serotonin	12665	16759	10793	15667	42984	22643	24261	19968	167720	123766	104760	55126	57521	47556	45458	24513	38461	57934	40779	17846	90925	77838	117526	97591	40750	42140	24558	47751	61661	44572	57370	44843	483719	118943	276442	264406	46075	47022	19856	33865	17360	5406	18671	27388
Acetylcholine	2087065	2646918	2636060	2539066	1689763	1909333	1723514	2578755	865556	837566	608129	1183031	4367664	4808858	4432238	1357631	2854431	2979915	2552589	1143556	1063073	922485	2774995	627701	1940533	2373007	1884621	2646468	1727058	1195162	1300296	1838343	726608	491335	849037	1457663	1185424	1257313	1033959	1040608	273492	269508	292655	222477
acetyl-carnitine (acyl-C2)	2135438	1636020	2983373	2715783	3876849	4003563	4127935	5227362	4436736	6235156	4911474	8505363	4949876	3660221	4282454	2774347	5684316	4847290	4229576	2992806	9300791	9269833	13041400	4628198	6205314	6357786	5563978	8851679	4018553	1604866	3908514	3288418	2859274	853167	4703394	5473094	2010219	2929969	1680324	2664706	373129	258432	609970	316872
butanoyl-l-carnitine (acyl-C4)	34837	45494	17386	22121	17464	11203	12046	20732	16461	44699	12302	23005	213708	67374	48615	56495	70172	36517	19928	18973	51166	50687	0	31097	35342	11308	17409	36013	14803	7988	13165	10225	13631	8460	8063	35439	19905	22744	13901	20501	11662	10016	9404	16265
acyl-C4-OH (Hydroxybutyrylcarnitine)	55439	27783	84260	47270	242821	182235	252825	216256	80390	37049	121392	59639	109056	91109	102037	79149	163607	209082	100365	82615	60954	89310	141639	120623	297847	263490	259373	384474	262604	107708	262824	228317	150693	39316	183785	281461	89380	150608	90340	102461	11823	15848	19230	26680
acyl-C5-OH (hydroxyisovalerylcarnitine)	43629	32349	44392	50144	42093	45648	35270	20973	44044	40940	35439	72048	82332	62326	112077	53468	48282	80478	69958	26412	58224	46293	106331	23942	25355	47666	19630	69713	24519	15807	28718	35570	29722	5084	53033	65279	11319	26129	15145	10856	4931	10477	5664	13839
O-dodecanoyl-carnitine (acyl-C12)	13505	21069	11962	7773	8033	18797	10762	5208	9459	21032	3194	3919	96681	42083	30733	48845	31957	19812	21026	18383	11699	11464	5052	17320	8870	12383	11998	10996	5438	9912	5777	4707	4218	3509	9074	9901	7628	3847	5815	10719	8336	2956	3679	5066
O-tetradecanoyl-L-carnitine (acyl-C14)	82369	97968	69514	59576	33596	68544	40656	39434	43542	76205	26954	60651	381913	212469	176139	142704	149645	107595	124569	77069	49440	128717	120494	49155	53644	62058	67482	70865	40639	35172	34050	39531	15178	4303	42576	43241	34863	31261	34304	27248	15339	5933	10519	12745
Tetradecenoyl Carnitine (acyl-C14:1)	17094	28678	7218	4509	8530	16220	2840	6261	2783	12139	2304	2854	136144	73814	53150	77351	42854	28152	55887	20645	15799	18664	36299	17295	10585	10997	2816	14222	12655	12392	3817	3173	3123	3086	1672	0	8047	4841	5541	8801	2734	2844	1417	4374
L-Palmitoylcarnitine (acyl-C16)	309459	422193	225011	365675	196509	362582	240885	150407	196138	366280	159758	282961	764619	711551	763374	322395	239143	447833	435840	233343	248687	351545	673526	191672	319905	449119	377442	301899	191010	186098	280136	284173	121119	96635	220787	280385	225463	240031	214373	100779	64966	95232	121398	90951
Hexadecenoyl-carnitine (acyl-C16:1)	48933	64138	40302	52314	56159	76043	54858	60683	35215	36746	20934	37145	284370	260301	208656	120084	151729	139001	156526	82102	40306	74758	113147	41652	53665	68717	60065	75578	38290	48931	51016	65083	22176	9228	20684	39433	39720	51921	39011	39295	28591	26818	29406	22020
O-octadecenoyl-L-carnitine (acyl-C18:1)	143213	217175	96694	150269	119557	160661	96290	79956	60245	85126	44548	102406	433370	455855	608638	198451	161050	323410	370487	111424	123682	130869	313205	67450	125354	144867	140342	159206	85690	106829	125319	153242	34183	21193	52974	79210	95872	72073	97845	29149	33346	46331	48220	36030
acyl-C18:2 (Linoleoyl-CoA)	14188	10642	9915	7800	9011	9353	8927	10607	1729	0	0	1083	28859	44490	30658	19025	19736	21718	22385	11518	2348	1151	1991	0	9381	9082	10110	7398	4389	7215	6203	8935	459	0	1199	0	5430	2162	2786	2196	1141	0	2506	0
Alanine 13C3	0	0	0	0	414472	230516	322415	225594	81779	48395	47957	23341	0	6236	0	0	118052	160772	155325	117872	28542	35639	89433	56492	0	0	0	0	329312	502399	566332	379133	303187	76065	243297	266195	396744	401227	338946	335684	48759	47204	48203	47549
Arginine 13C6	0	0	0	0	112967	19205	81988	48366	9279	0	0	0	0	0	0	0	19064	25130	53096	34762	0	9959	11194	9658	0	0	0	0	36746	61236	51009	39574	10746	0	6795	11190	25370	30572	17481	28349	0	0	0	6338
Asparagine 13C5	7311	0	6414	4013	296332	95103	145684	87705	33238	16299	19582	12388	3515	7326	7233	7028	27968	56919	57026	51250	11408	13182	14943	26300	6619	7701	9411	21313	288052	421944	387098	306578	306516	112222	206625	221754	445588	520579	392925	317507	54934	86362	83893	97735
Cysteine 13C3	2973432	5484074	3045842	4507438	4410765	5541639	5924400	3363013	10576470	9079226	6681022	8761923	6799182	6067228	6649060	4299590	4505238	2572949	6336978	3709007	9214987	7710990	11299810	3516151	4425558	4691462	5275668	3828193	3210180	4756452	5103596	3901055	4725742	3448535	5443392	5944642	2878043	3433256	1281598	1896997	621616	821268	1356885	903432
Glutamate 13C5	7111	8165	6870	3833	1343546	604473	1197837	558013	59120	85665	135632	169284	4929	6006	4588	4516	222467	297167	248940	350550	68549	66354	83459	110730	5691	6886	7175	7783	1709605	3120184	2455490	1430761	2590366	778395	1580590	2102249	1845351	2258407	1416477	1744796	270685	300748	284750	410580
Histidine 13C6	54773	60918	42460	49756	61405	39172	44315	45487	53132	38203	13400	26466	85454	89532	139656	24719	61033	143427	106642	22822	40810	57837	75945	38736	0	1486	0	0	96430	144166	104728	83813	89623	13619	37247	106348	88783	90953	54854	80636	7178	7204	4731	15310
Leucine/isoleucine 13C6	0	0	0	0	2914179	1225082	1569938	983150	550110	291112	185138	304795	0	0	0	0	1188387	1681399	2344032	1248122	418959	420119	733824	525566	0	0	0	0	703344	956475	1233646	808671	1169656	204341	557841	646047	268375	371647	253086	292851	32854	39835	36425	44194
Lysine 13C6	0	0	0	0	151287	79575	83764	66802	34993	29619	17133	36994	0	0	0	0	38574	69247	76368	35410	23096	24725	35448	24396	0	0	0	0	57006	87837	79236	59375	36987	0	23555	45914	40337	23597	16223	39390	4482	0	0	0
Methionine 13C5	0	0	0	8221	334986	135448	158337	110426	134330	98381	74456	105930	10502	0	12197	0	145737	178136	248345	147871	163207	186827	179376	46655	0	6830	0	0	106480	226992	168700	156634	114693	39579	95859	76866	57494	60628	32032	40207	6140	0	0	6492
Proline 13C5	4124	0	0	7465	1028731	607756	687386	498139	209544	163471	124240	159524	0	0	0	0	270343	373605	266102	246800	158867	150282	104400	127862	0	3944	6043	4322	557456	947137	1127597	691476	583648	168033	356800	469657	394600	556407	372925	348170	48770	60221	50963	37506
Serine 13C3	0	0	0	0	62123	22997	48991	24969	16961	0	0	0	0	0	0	0	8257	10600	29099	5616	0	0	0	0	0	0	0	0	74134	117554	89022	70877	89065	8828	67702	53526	84766	103774	53842	78699	9246	15312	5282	20848
Tryptophan 13C11	15689	16320	21086	21193	118292	62764	58482	36216	24794	22705	19810	24365	20414	15394	20017	26321	50358	49265	58467	34120	22100	23483	32257	22797	28761	17705	20251	21642	22674	35910	37352	30601	24392	26354	24269	16977	29392	24409	24309	15748	24782	27970	26233	16898
Hypoxanthine 13C5	16181	8465	10302	5864	1809636	1214130	1602060	1177491	6603964	5667306	4909314	5546089	17103	4331	8902	5976	920036	1984714	1267624	461586	4109505	4744350	6478172	4803073	8338	7230	10676	7496	761187	1093157	1487221	981316	2208994	688169	1765994	1825831	538624	451160	244583	764489	79941	81581	72463	99305
Xanthine 13C5	5584	1491	2011	2137	153004	59982	143850	26811	84001	81630	72969	96638	2730	6358	10652	0	26851	70102	63961	34280	23586	28162	39226	73653	4233	2249	2591	1852	163871	436489	402390	284694	235555	71050	151221	196107	81543	74709	51795	69769	2509	13088	4001	8052
5-Oxoproline 13C5	19981	6204	9826	17001	419146	169497	336931	161508	18952	22201	52410	28370	10457	29804	14447	14120	75813	120533	52812	95449	14156	16776	37775	25338	7795	8997	8637	11655	472474	723185	631115	475971	566315	206407	447923	543589	491095	595688	360867	424923	82969	83379	84303	103821
S-Adenosyl-L-methionine 13C15	56392	46577	40437	63772	267350	97526	141993	97300	2043743	1296144	569858	686507	447469	160657	450187	75872	132210	353338	414351	36828	988564	1110100	1856033	785774	161001	224651	62340	88473	227752	149565	254776	113139	1463425	159695	1351984	1035462	102407	115472	24302	108385	12520	0	0	17841
Citrulline 13C6	0	4347	0	0	324612	147366	226882	117611	58397	22195	28030	0	3718	0	0	0	103726	146513	182484	102819	5761	42595	33432	60146	0	0	0	5513	333664	524274	451583	322190	202999	105582	171731	244760	251368	331525	232121	299043	37749	31693	40166	49047
Cadaverine 13C5	0	8831	0	0	47114	8181	31535	18911	0	0	4942	0	0	0	0	0	9007	35800	28751	25134	0	0	13320	6758	0	0	0	0	358293	449163	350003	361927	207000	137355	182207	222776	314356	317980	455331	284462	70344	104327	69786	58887
Putrescine 13C4	0	0	0	0	59112	40399	44765	49282	62823	78821	32035	45234	0	0	0	0	34683	41804	8887	51462	47781	114900	89620	48400	0	0	0	0	109742	189663	143748	121345	141214	79325	101673	146307	90475	119079	111760	100608	29417	29658	25536	33915
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	KEGG ID	m/z	RT
L-alanine	C00041	90.0550	0.62
L-arginine	C00062	175.1189	0.60
L-asparagine	C00152	133.0608	0.62
L-aspartate	C00049	134.0449	0.64
L-cysteine	C00097	122.0270	0.63
L-glutamate	C00025	148.0605	0.63
L-glutamine	C00064	147.0764	0.63
L-histidine	C00135	156.0770	0.59
L-leucine	C00123	132.1019	0.65
L-lysine	C00047	147.1129	0.59
L-methionine	C00073	150.0580	0.65
L-phenylalanine	C00079	166.0863	0.71
L-proline	C00148	116.0706	0.64
L-serine	C00065	106.0498	0.63
L-threonine	C00188	120.0655	0.63
L-tryptophan	C00078	205.0972	1.69
L-tyrosine	C00082	182.0811	0.65
L-valine	C00183	118.0863	0.64
AMP	C00020	348.0702	0.66
dAMP	C00360	332.0780	0.67
Adenosine	C00212	268.1035	0.65
Adenine	C00147	136.0619	0.65
GMP	C00144	364.0647	0.82
Guanine	C00242	152.0562	0.65
CMP	C00055	324.0585	0.69
Cytidine	C00475	244.0926	0.64
Inosine	C00294	269.0878	0.65
Hypoxanthine	C00262	137.0459	0.67
Allantoate	C00499	177.0609	0.59
5-Hydroxyisourate	C11821	185.0310	0.62
2',3'-Cyclic CMP	C02354	306.0486	0.66
5-6-Dihydrothymine	C00906	129.0659	0.63
Pyridoxal	C00250	168.0652	0.64
Nicotinamide	C00153	123.0552	0.65
NAD+	C00003	664.1152	0.65
Glutathione	C00051	308.0908	0.67
Glutathione disulfide	C00127	613.1585	0.82
5-Oxoproline	C01879	130.0499	0.63
S-Glutathionyl-L-cysteine	C05526	427.0905	0.63
Cys-Gly	C01419	179.0479	0.64
gamma-Glutamyl-Se-methylselenocysteine	C05695	313.0315	0.60
gamma-L-Glutamyl-D-alanine	C03738	219.0972	0.64
gamma-Glutamyl-gamma-aminobutyrate	C15767	233.1130	0.65
gamma-L-Glutamylputrescine	C15699	218.1503	0.79
(5-L-Glutamyl)-L-glutamine	C05283	276.1188	0.64
L-Homocysteine	C00155	136.0428	0.64
Cystathionine	C00542	223.0742	0.65
Dimethylglycine	C01026	104.0706	0.62
Phosphoserine	C02532	186.0182	0.61
S-Adenosyl-L-methionine	C00019	399.1443	0.59
L-Homoserine	C00263	120.0655	0.64
Ornithine	C01602	133.0972	0.59
L-Citrulline	C00327	176.1029	0.63
Argininosuccinate	C03406	291.1294	0.63
Cadaverine	C01672	103.1230	0.61
Putrescine	C00134	89.1074	0.58
Spermidine	C00315	146.1652	0.58
Spermine	C00750	203.2229	0.58
Carnosine	C00386	227.1136	0.59
5-Guanidino-2-oxopentanoate	C03771	174.0873	0.66
Phosphocreatine	C02305	212.0427	0.73
Creatine	C00300	132.0768	0.63
Creatinine	C00791	114.0663	0.63
4-Acetamidobutanoate	C02946	146.0811	0.63
N-Acetyl-L-citrulline	C15532	218.1142	0.92
N-Acetylornithine	C00437	175.1077	0.65
Guanidinoacetate	C00581	118.0610	0.62
5-Aminopentanoate	C00431	118.0863	0.65
Pantetheine	C00831	279.1336	0.65
Pantetheine 4--phosphate	C01134	359.1059	1.85
Hypotaurine	C00519	110.0270	0.63
L-Methionine S-oxide	C02989	166.0521	0.64
5-Hydroxyindoleacetate	C05635	192.0622	0.62
3-Methyldioxyindole	C05834	146.0601	1.69
Indole	C00463	118.0650	0.65
Indole-3-acetaldehyde	C00637	160.0751	0.64
Indole-3-acetate	C00954	176.0705	1.90
Indolepyruvate	C00331	204.0635	0.65
kynurenine	C00328	209.0912	0.65
N-formyl kynurenine	C02700	237.0902	0.64
Anthranilate	C00108	138.0547	0.64
Picolinic acid	C10164	124.0394	0.57
g-Oxalo-crotonate	C03453	159.0278	0.65
2-Aminomuconate	C02220	161.0459	1.90
L-Adrenaline	C00788	184.0946	0.62
Dopamine	C03758	154.0861	0.64
Serotonin	C00780	177.1002	0.63
Acetylcholine	C01996	146.1176	0.64
acetyl-carnitine (acyl-C2)	C02571	204.1230	0.65
butanoyl-l-carnitine (acyl-C4)	C02862	232.1542	0.66
acyl-C4-OH (Hydroxybutyrylcarnitine)	HMDB13127	248.1492	0.65
acyl-C5-OH (hydroxyisovalerylcarnitine)	ac107	262.1646	0.65
O-dodecanoyl-carnitine (acyl-C12)	HMDB02250	344.2792	1.94
O-tetradecanoyl-L-carnitine (acyl-C14)	HMDB05066	372.3105	1.99
Tetradecenoyl Carnitine (acyl-C14:1)	HMDB13329	370.2949	1.97
L-Palmitoylcarnitine (acyl-C16)	C02990	400.3416	2.07
Hexadecenoyl-carnitine (acyl-C16:1)	HMDB06317	398.3264	2.01
O-octadecenoyl-L-carnitine (acyl-C18:1)	HMDB06351	426.3574	2.09
acyl-C18:2 (Linoleoyl-CoA)	HMDB01064	424.3416	2.03
Alanine 13C3	C00041	93.065	0.625515
Arginine 13C6	C00062	181.1391	0.6000713
Asparagine 13C5	C00152	138.0582	0.6336378
Cysteine 13C3	C00097	125.038	0.5613309
Glutamate 13C5	C00025	153.0772	0.643826
Histidine 13C6	C00135	162.0965	0.6293598
Leucine/isoleucine 13C6	C00123	138.1221	0.6467489
Lysine 13C6	C00047	153.1329	0.5781466
Methionine 13C5	C00073	155.0745	0.6357743
Proline 13C5	C00148	121.0871	0.649991
Serine 13C3	C00065	109.0599	0.6274108
Tryptophan 13C11	C00078	216.1366	1.696053
Hypoxanthine 13C5	C00262	142.0622	0.6580078
Xanthine 13C5	C00385	158.0572	0.6606593
5-Oxoproline 13C5	C01879	135.0668	0.638048
S-Adenosyl-L-methionine 13C15	C00019	414.2011	0.6258777
Citrulline 13C6	C00327	182.1234	0.6376935
Cadaverine 13C5	C01672	108.1397	0.577841
Putrescine 13C4	C00134	93.12082	0.5828735
METABOLITES_END
#END