#METABOLOMICS WORKBENCH METADATA_Williams et al_24Sept2014.xlsm DATATRACK_ID:157 STUDY_ID:ST000102 ANALYSIS_ID:AN000169
VERSION                          	1
CREATED_ON                       	08-08-2023
#PROJECT
PR:PROJECT_TITLE                 	Cold adaptation shapes the robustness of metabolic networks in Drosophila
PR:PROJECT_TITLE                 	melanogaster
PR:PROJECT_TYPE                  	Genetic study
PR:PROJECT_SUMMARY               	Flies that had been selected for fast and slow recovery from a cold-coma (2
PR:PROJECT_SUMMARY               	replicates of each type) were sampled before, during (at the end of a 3h cold
PR:PROJECT_SUMMARY               	exposure at 0 degC), and after 5 min recovery from cold exposure. We tested the
PR:PROJECT_SUMMARY               	hypothesis that cold adaptation remodelled metabolic networks to make them more
PR:PROJECT_SUMMARY               	robust to the effects of cold.
PR:INSTITUTE                     	University of Florida
PR:DEPARTMENT                    	Entomology and Nematology
PR:LABORATORY                    	Daniel A. Hahn
PR:LAST_NAME                     	Hahn
PR:FIRST_NAME                    	Daniel
PR:EMAIL                         	dahahn@ufl.edu
PR:FUNDING_SOURCE                	NSF IOS-1051890
PR:DOI                           	http://dx.doi.org/10.21228/M8X309
#STUDY
ST:STUDY_TITLE                   	Cold adaptation shapes the robustness of metabolic networks in Drosophila
ST:STUDY_TITLE                   	melanogaster
ST:STUDY_TYPE                    	Time course during cold exposure for four genetic lines of flies
ST:STUDY_SUMMARY                 	Metabolites of cold hardy versus cold susceptible flies were compared using N
ST:STUDY_SUMMARY                 	less than R-based metabolomics. We used 8 replicates per line (2 hardy lines,
ST:STUDY_SUMMARY                 	two susceptible lines), and sampled each line at three time points (before,
ST:STUDY_SUMMARY                 	during and after cold), giving rise to 96 samples total.
ST:INSTITUTE                     	University of Florida
ST:DEPARTMENT                    	Entomology and Nematology
ST:LAST_NAME                     	Williams
ST:FIRST_NAME                    	Caroline
ST:EMAIL                         	cmw@berkeley.edu
ST:SUBMIT_DATE                   	2014-09-26
#SUBJECT
SU:SUBJECT_TYPE                  	Insect
SU:SUBJECT_SPECIES               	Drosophila melanogaster
SU:TAXONOMY_ID                   	7227
SU:GENOTYPE_STRAIN               	Originating from same base population as Drosophila melanogaster genetic
SU:GENOTYPE_STRAIN               	reference panel, selected for fast (hardy) and slow (susceptible) recovery from
SU:GENOTYPE_STRAIN               	chill coma.
SU:AGE_OR_AGE_RANGE              	5-7 day-old adults (mated)
SU:WEIGHT_OR_WEIGHT_RANGE        	0.17-0.77mg
SU:HEIGHT_OR_HEIGHT_RANGE        	NA
SU:GENDER                        	Female
SU:ANIMAL_HOUSING                	25 degC
SU:ANIMAL_LIGHT_CYCLE            	12L:12D
SU:ANIMAL_FEED                   	Standard cornmeal molasses medium
SU:ANIMAL_WATER                  	in diet only
SU:SPECIES_GROUP                 	Insect
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	231	time:after | hardiness:hardy | population replicate:1	mass(mg)=4.8
SUBJECT_SAMPLE_FACTORS           	-	232	time:after | hardiness:hardy | population replicate:1	mass(mg)=5
SUBJECT_SAMPLE_FACTORS           	-	233	time:after | hardiness:hardy | population replicate:1	mass(mg)=6.1
SUBJECT_SAMPLE_FACTORS           	-	234	time:after | hardiness:hardy | population replicate:1	mass(mg)=5.4
SUBJECT_SAMPLE_FACTORS           	-	235	time:after | hardiness:hardy | population replicate:1	mass(mg)=5.8
SUBJECT_SAMPLE_FACTORS           	-	236	time:after | hardiness:hardy | population replicate:1	mass(mg)=5.2
SUBJECT_SAMPLE_FACTORS           	-	237	time:after | hardiness:hardy | population replicate:1	mass(mg)=5.1
SUBJECT_SAMPLE_FACTORS           	-	238	time:after | hardiness:hardy | population replicate:1	mass(mg)=4.3
SUBJECT_SAMPLE_FACTORS           	-	531	time:after | hardiness:hardy | population replicate:2	mass(mg)=3.5
SUBJECT_SAMPLE_FACTORS           	-	532	time:after | hardiness:hardy | population replicate:2	mass(mg)=4.2
SUBJECT_SAMPLE_FACTORS           	-	533	time:after | hardiness:hardy | population replicate:2	mass(mg)=3.7
SUBJECT_SAMPLE_FACTORS           	-	534	time:after | hardiness:hardy | population replicate:2	mass(mg)=4.1
SUBJECT_SAMPLE_FACTORS           	-	535	time:after | hardiness:hardy | population replicate:2	mass(mg)=3.9
SUBJECT_SAMPLE_FACTORS           	-	536	time:after | hardiness:hardy | population replicate:2	mass(mg)=3.5
SUBJECT_SAMPLE_FACTORS           	-	537	time:after | hardiness:hardy | population replicate:2	mass(mg)=3.9
SUBJECT_SAMPLE_FACTORS           	-	538	time:after | hardiness:hardy | population replicate:2	mass(mg)=3.7
SUBJECT_SAMPLE_FACTORS           	-	331	time:after | hardiness:susceptible | population replicate:1	mass(mg)=6.9
SUBJECT_SAMPLE_FACTORS           	-	332	time:after | hardiness:susceptible | population replicate:1	mass(mg)=6.1
SUBJECT_SAMPLE_FACTORS           	-	333	time:after | hardiness:susceptible | population replicate:1	mass(mg)=5.6
SUBJECT_SAMPLE_FACTORS           	-	334	time:after | hardiness:susceptible | population replicate:1	mass(mg)=5.2
SUBJECT_SAMPLE_FACTORS           	-	335	time:after | hardiness:susceptible | population replicate:1	mass(mg)=5.8
SUBJECT_SAMPLE_FACTORS           	-	336	time:after | hardiness:susceptible | population replicate:1	mass(mg)=5.3
SUBJECT_SAMPLE_FACTORS           	-	337	time:after | hardiness:susceptible | population replicate:1	mass(mg)=6.1
SUBJECT_SAMPLE_FACTORS           	-	338	time:after | hardiness:susceptible | population replicate:1	mass(mg)=5.3
SUBJECT_SAMPLE_FACTORS           	-	631	time:after | hardiness:susceptible | population replicate:2	mass(mg)=6.1
SUBJECT_SAMPLE_FACTORS           	-	632	time:after | hardiness:susceptible | population replicate:2	mass(mg)=6.1
SUBJECT_SAMPLE_FACTORS           	-	633	time:after | hardiness:susceptible | population replicate:2	mass(mg)=7.1
SUBJECT_SAMPLE_FACTORS           	-	634	time:after | hardiness:susceptible | population replicate:2	mass(mg)=6.3
SUBJECT_SAMPLE_FACTORS           	-	635	time:after | hardiness:susceptible | population replicate:2	mass(mg)=5.9
SUBJECT_SAMPLE_FACTORS           	-	636	time:after | hardiness:susceptible | population replicate:2	mass(mg)=6.3
SUBJECT_SAMPLE_FACTORS           	-	637	time:after | hardiness:susceptible | population replicate:2	mass(mg)=6.7
SUBJECT_SAMPLE_FACTORS           	-	638	time:after | hardiness:susceptible | population replicate:2	mass(mg)=6
SUBJECT_SAMPLE_FACTORS           	-	211	time:before | hardiness:hardy | population replicate:1	mass(mg)=1.7
SUBJECT_SAMPLE_FACTORS           	-	212	time:before | hardiness:hardy | population replicate:1	mass(mg)=2.1
SUBJECT_SAMPLE_FACTORS           	-	213	time:before | hardiness:hardy | population replicate:1	mass(mg)=2.5
SUBJECT_SAMPLE_FACTORS           	-	214	time:before | hardiness:hardy | population replicate:1	mass(mg)=2.8
SUBJECT_SAMPLE_FACTORS           	-	215	time:before | hardiness:hardy | population replicate:1	mass(mg)=3.7
SUBJECT_SAMPLE_FACTORS           	-	216	time:before | hardiness:hardy | population replicate:1	mass(mg)=2.8
SUBJECT_SAMPLE_FACTORS           	-	217	time:before | hardiness:hardy | population replicate:1	mass(mg)=3.7
SUBJECT_SAMPLE_FACTORS           	-	218	time:before | hardiness:hardy | population replicate:1	mass(mg)=3.3
SUBJECT_SAMPLE_FACTORS           	-	511	time:before | hardiness:hardy | population replicate:2	mass(mg)=3.9
SUBJECT_SAMPLE_FACTORS           	-	512	time:before | hardiness:hardy | population replicate:2	mass(mg)=4.2
SUBJECT_SAMPLE_FACTORS           	-	513	time:before | hardiness:hardy | population replicate:2	mass(mg)=4.5
SUBJECT_SAMPLE_FACTORS           	-	514	time:before | hardiness:hardy | population replicate:2	mass(mg)=3.9
SUBJECT_SAMPLE_FACTORS           	-	515	time:before | hardiness:hardy | population replicate:2	mass(mg)=3.3
SUBJECT_SAMPLE_FACTORS           	-	516	time:before | hardiness:hardy | population replicate:2	mass(mg)=3.5
SUBJECT_SAMPLE_FACTORS           	-	517	time:before | hardiness:hardy | population replicate:2	mass(mg)=3.6
SUBJECT_SAMPLE_FACTORS           	-	518	time:before | hardiness:hardy | population replicate:2	mass(mg)=3.2
SUBJECT_SAMPLE_FACTORS           	-	311	time:before | hardiness:susceptible | population replicate:1	mass(mg)=3.9
SUBJECT_SAMPLE_FACTORS           	-	312	time:before | hardiness:susceptible | population replicate:1	mass(mg)=4
SUBJECT_SAMPLE_FACTORS           	-	313	time:before | hardiness:susceptible | population replicate:1	mass(mg)=4
SUBJECT_SAMPLE_FACTORS           	-	314	time:before | hardiness:susceptible | population replicate:1	mass(mg)=4.3
SUBJECT_SAMPLE_FACTORS           	-	315	time:before | hardiness:susceptible | population replicate:1	mass(mg)=3.8
SUBJECT_SAMPLE_FACTORS           	-	316	time:before | hardiness:susceptible | population replicate:1	mass(mg)=4.3
SUBJECT_SAMPLE_FACTORS           	-	317	time:before | hardiness:susceptible | population replicate:1	mass(mg)=3.9
SUBJECT_SAMPLE_FACTORS           	-	318	time:before | hardiness:susceptible | population replicate:1	mass(mg)=4.1
SUBJECT_SAMPLE_FACTORS           	-	611	time:before | hardiness:susceptible | population replicate:2	mass(mg)=4.6
SUBJECT_SAMPLE_FACTORS           	-	612	time:before | hardiness:susceptible | population replicate:2	mass(mg)=4.5
SUBJECT_SAMPLE_FACTORS           	-	613	time:before | hardiness:susceptible | population replicate:2	mass(mg)=4.4
SUBJECT_SAMPLE_FACTORS           	-	614	time:before | hardiness:susceptible | population replicate:2	mass(mg)=4
SUBJECT_SAMPLE_FACTORS           	-	615	time:before | hardiness:susceptible | population replicate:2	mass(mg)=4.3
SUBJECT_SAMPLE_FACTORS           	-	616	time:before | hardiness:susceptible | population replicate:2	mass(mg)=4.5
SUBJECT_SAMPLE_FACTORS           	-	617	time:before | hardiness:susceptible | population replicate:2	mass(mg)=4.8
SUBJECT_SAMPLE_FACTORS           	-	618	time:before | hardiness:susceptible | population replicate:2	mass(mg)=4.5
SUBJECT_SAMPLE_FACTORS           	-	221	time:during | hardiness:hardy | population replicate:1	mass(mg)=4.8
SUBJECT_SAMPLE_FACTORS           	-	222	time:during | hardiness:hardy | population replicate:1	mass(mg)=4.9
SUBJECT_SAMPLE_FACTORS           	-	223	time:during | hardiness:hardy | population replicate:1	mass(mg)=5.3
SUBJECT_SAMPLE_FACTORS           	-	224	time:during | hardiness:hardy | population replicate:1	mass(mg)=4.9
SUBJECT_SAMPLE_FACTORS           	-	225	time:during | hardiness:hardy | population replicate:1	mass(mg)=5.1
SUBJECT_SAMPLE_FACTORS           	-	226	time:during | hardiness:hardy | population replicate:1	mass(mg)=4.9
SUBJECT_SAMPLE_FACTORS           	-	227	time:during | hardiness:hardy | population replicate:1	mass(mg)=4.9
SUBJECT_SAMPLE_FACTORS           	-	228	time:during | hardiness:hardy | population replicate:1	mass(mg)=3.7
SUBJECT_SAMPLE_FACTORS           	-	521	time:during | hardiness:hardy | population replicate:2	mass(mg)=3.8
SUBJECT_SAMPLE_FACTORS           	-	522	time:during | hardiness:hardy | population replicate:2	mass(mg)=3.7
SUBJECT_SAMPLE_FACTORS           	-	523	time:during | hardiness:hardy | population replicate:2	mass(mg)=4.2
SUBJECT_SAMPLE_FACTORS           	-	524	time:during | hardiness:hardy | population replicate:2	mass(mg)=3.6
SUBJECT_SAMPLE_FACTORS           	-	525	time:during | hardiness:hardy | population replicate:2	mass(mg)=3.7
SUBJECT_SAMPLE_FACTORS           	-	526	time:during | hardiness:hardy | population replicate:2	mass(mg)=4
SUBJECT_SAMPLE_FACTORS           	-	527	time:during | hardiness:hardy | population replicate:2	mass(mg)=3.5
SUBJECT_SAMPLE_FACTORS           	-	528	time:during | hardiness:hardy | population replicate:2	mass(mg)=3.9
SUBJECT_SAMPLE_FACTORS           	-	321	time:during | hardiness:susceptible | population replicate:1	mass(mg)=7
SUBJECT_SAMPLE_FACTORS           	-	322	time:during | hardiness:susceptible | population replicate:1	mass(mg)=7.7
SUBJECT_SAMPLE_FACTORS           	-	323	time:during | hardiness:susceptible | population replicate:1	mass(mg)=5.9
SUBJECT_SAMPLE_FACTORS           	-	324	time:during | hardiness:susceptible | population replicate:1	mass(mg)=5.5
SUBJECT_SAMPLE_FACTORS           	-	325	time:during | hardiness:susceptible | population replicate:1	mass(mg)=5.6
SUBJECT_SAMPLE_FACTORS           	-	326	time:during | hardiness:susceptible | population replicate:1	mass(mg)=5.7
SUBJECT_SAMPLE_FACTORS           	-	327	time:during | hardiness:susceptible | population replicate:1	mass(mg)=5.8
SUBJECT_SAMPLE_FACTORS           	-	328	time:during | hardiness:susceptible | population replicate:1	mass(mg)=5.7
SUBJECT_SAMPLE_FACTORS           	-	621	time:during | hardiness:susceptible | population replicate:2	mass(mg)=6.5
SUBJECT_SAMPLE_FACTORS           	-	622	time:during | hardiness:susceptible | population replicate:2	mass(mg)=6.2
SUBJECT_SAMPLE_FACTORS           	-	623	time:during | hardiness:susceptible | population replicate:2	mass(mg)=6.2
SUBJECT_SAMPLE_FACTORS           	-	624	time:during | hardiness:susceptible | population replicate:2	mass(mg)=5.7
SUBJECT_SAMPLE_FACTORS           	-	625	time:during | hardiness:susceptible | population replicate:2	mass(mg)=4.3
SUBJECT_SAMPLE_FACTORS           	-	626	time:during | hardiness:susceptible | population replicate:2	mass(mg)=6
SUBJECT_SAMPLE_FACTORS           	-	627	time:during | hardiness:susceptible | population replicate:2	mass(mg)=6.1
SUBJECT_SAMPLE_FACTORS           	-	628	time:during | hardiness:susceptible | population replicate:2	mass(mg)=5.5
#COLLECTION
CO:COLLECTION_SUMMARY            	Flies are snap-frozen in liquid nitrogen, counted into pools of 10, and stored
CO:COLLECTION_SUMMARY            	at -80 degC until extraction.
CO:COLLECTION_PROTOCOL_FILENAME  	Fly_rearing_and_sample_collection_24Sept2014.docx
CO:SAMPLE_TYPE                   	whole bodies
CO:COLLECTION_METHOD             	Snap-freeze in liquid nitrogen
CO:COLLECTION_LOCATION           	University of Florida
CO:STORAGE_CONDITIONS            	-80 degC
CO:COLLECTION_VIALS              	2mL eppendorf tubes
CO:STORAGE_VIALS                 	2mL eppendorf tubes
#TREATMENT
TR:TREATMENT_SUMMARY             	Flies are exposed to 3h in an ice slurry, then allowed to recover at room
TR:TREATMENT_SUMMARY             	temperature for 5min.
TR:TREATMENT_PROTOCOL_FILENAME   	Fly_rearing_and_sample_collection_24Sept2014.docx
TR:TREATMENT                     	abiotic - cold exposure, 3h in ice slurry
TR:TREATMENT_DOSE                	ice slurry
TR:TREATMENT_DOSEDURATION        	3h
TR:ANIMAL_ENDP_TISSUE_COLL_LIST  	10 whole flies/sample
#SAMPLEPREP
SP:SAMPLEPREP_PROTOCOL_FILENAME  	sample_prep_protocol_24Sept2014.docx;sample_spiking_protocol_24Sept2014.docx
SP:SAMPLEPREP_PROTOCOL_COMMENTS  	Bligh EG, Dyer WJ (1959) A rapid method of total lipid extraction and
SP:SAMPLEPREP_PROTOCOL_COMMENTS  	purification. Can J Biochem Physiol  37: 911-7.
SP:PROCESSING_METHOD             	lyophilization, homogenization, solvent extraction
SP:PROCESSING_STORAGE_CONDITIONS 	store at -20C
SP:EXTRACTION_METHOD             	modified Bligh and Dyer protocol
SP:EXTRACT_CONCENTRATION_DILUTION	2:2:1.8 (methanol:chloroform:water)
SP:EXTRACT_STORAGE               	-20C
SP:SAMPLE_RESUSPENSION           	Samples were re-suspended in 620 ?l buffer (100 mM potassium phosphate [pH 7.3],
SP:SAMPLE_RESUSPENSION           	0.1% sodium azide, 1 mM trimethylsilylproprionate [TMSP] in D2O)
SP:SAMPLE_SPIKING                	6 internal standards (proline, ?-alanine, tyrosine, histidine, phosphocholine,
SP:SAMPLE_SPIKING                	and 3-hydroxykynurenine) added: 6 ?L of standards were added to a concentration
SP:SAMPLE_SPIKING                	of 2x the Chenomx-determined concentration for each metabolite
#CHROMATOGRAPHY
#ANALYSIS
AN:LABORATORY_NAME               	Molecular Science Research Center (MSRC), Claflin University, Orangeburg, SC
AN:ANALYSIS_TYPE                 	NMR
AN:ANALYSIS_COMMENTS             	NMR: 1D presaturation 1H
AN:ACQUISITION_DATE              	Summer 2012
AN:ACQUISITION_PARAMETERS_FILE   	nmr_data_acquisition_and_processing_protocol.doc
AN:INSTRUMENT_PARAMETERS_FILE    	Cold_adaptation_in_Drosophila_melanogaster.zip
AN:SOFTWARE_VERSION              	TOPSPIN 2.1
AN:OPERATOR_NAME                 	Miki Watanabe and Arezue Boroujerdi
#NMR
NM:INSTRUMENT_NAME               	Bruker Avance III
NM:INSTRUMENT_TYPE               	FT-NMR
NM:NMR_EXPERIMENT_TYPE           	1D 1H
NM:FIELD_FREQUENCY_LOCK          	-6958.1
NM:STANDARD_CONCENTRATION        	1 mM TMSP
NM:SPECTROMETER_FREQUENCY        	700 MHz
NM:NMR_PROBE                     	Room Temperature 5-mm triple resonance probe
NM:NMR_SOLVENT                   	D2O
NM:NMR_TUBE_SIZE                 	5 mm
NM:SHIMMING_METHOD               	topshim (automatic shimming)
NM:PULSE_SEQUENCE                	noesypr1d
NM:WATER_SUPPRESSION             	presaturation
NM:PULSE_WIDTH                   	9.4-9.6 ?s
NM:POWER_LEVEL                   	-1.00 dB
NM:RECEIVER_GAIN                 	200
NM:OFFSET_FREQUENCY              	3294.98 Hz
NM:PRESATURATION_POWER_LEVEL     	53.64 dB
NM:CHEMICAL_SHIFT_REF_CPD        	TMSP
NM:TEMPERATURE                   	298 K
NM:NUMBER_OF_SCANS               	120
NM:DUMMY_SCANS                   	4
NM:ACQUISITION_TIME              	2.9 s
NM:RELAXATION_DELAY              	4 s
NM:SPECTRAL_WIDTH                	16.0872 ppm
NM:NUM_DATA_POINTS_ACQUIRED      	65536
NM:REAL_DATA_POINTS              	32768
NM:LINE_BROADENING               	0.3 Hz
NM:ZERO_FILLING                  	2x
NM:APODIZATION                   	exponential multiply (em)
NM:BASELINE_CORRECTION_METHOD    	abs (automatic baseline correction with integration (1D))
NM:CHEMICAL_SHIFT_REF_STD        	0.00 ppm
#NMR_METABOLITE_DATA
NMR_METABOLITE_DATA:UNITS        	Peak area
NMR_METABOLITE_DATA_START
Samples	231	232	233	234	235	236	237	238	531	532	533	534	535	536	537	538	331	332	333	334	335	336	337	338	631	632	633	634	635	636	637	638	211	212	213	214	215	216	217	218	511	512	513	514	515	516	517	518	311	312	313	314	315	316	317	318	611	612	613	614	615	616	617	618	221	222	223	224	225	226	227	228	521	522	523	524	525	526	527	528	321	322	323	324	325	326	327	328	621	622	623	624	625	626	627	628
Factors	time:after | hardiness:hardy | population replicate:1	time:after | hardiness:hardy | population replicate:1	time:after | hardiness:hardy | population replicate:1	time:after | hardiness:hardy | population replicate:1	time:after | hardiness:hardy | population replicate:1	time:after | hardiness:hardy | population replicate:1	time:after | hardiness:hardy | population replicate:1	time:after | hardiness:hardy | population replicate:1	time:after | hardiness:hardy | population replicate:2	time:after | hardiness:hardy | population replicate:2	time:after | hardiness:hardy | population replicate:2	time:after | hardiness:hardy | population replicate:2	time:after | hardiness:hardy | population replicate:2	time:after | hardiness:hardy | population replicate:2	time:after | hardiness:hardy | population replicate:2	time:after | hardiness:hardy | population replicate:2	time:after | hardiness:susceptible | population replicate:1	time:after | hardiness:susceptible | population replicate:1	time:after | hardiness:susceptible | population replicate:1	time:after | hardiness:susceptible | population replicate:1	time:after | hardiness:susceptible | population replicate:1	time:after | hardiness:susceptible | population replicate:1	time:after | hardiness:susceptible | population replicate:1	time:after | hardiness:susceptible | population replicate:1	time:after | hardiness:susceptible | population replicate:2	time:after | hardiness:susceptible | population replicate:2	time:after | hardiness:susceptible | population replicate:2	time:after | hardiness:susceptible | population replicate:2	time:after | hardiness:susceptible | population replicate:2	time:after | hardiness:susceptible | population replicate:2	time:after | hardiness:susceptible | population replicate:2	time:after | hardiness:susceptible | population replicate:2	time:before | hardiness:hardy | population replicate:1	time:before | hardiness:hardy | population replicate:1	time:before | hardiness:hardy | population replicate:1	time:before | hardiness:hardy | population replicate:1	time:before | hardiness:hardy | population replicate:1	time:before | hardiness:hardy | population replicate:1	time:before | hardiness:hardy | population replicate:1	time:before | hardiness:hardy | population replicate:1	time:before | hardiness:hardy | population replicate:2	time:before | hardiness:hardy | population replicate:2	time:before | hardiness:hardy | population replicate:2	time:before | hardiness:hardy | population replicate:2	time:before | hardiness:hardy | population replicate:2	time:before | hardiness:hardy | population replicate:2	time:before | hardiness:hardy | population replicate:2	time:before | hardiness:hardy | population replicate:2	time:before | hardiness:susceptible | population replicate:1	time:before | hardiness:susceptible | population replicate:1	time:before | hardiness:susceptible | population replicate:1	time:before | hardiness:susceptible | population replicate:1	time:before | hardiness:susceptible | population replicate:1	time:before | hardiness:susceptible | population replicate:1	time:before | hardiness:susceptible | population replicate:1	time:before | hardiness:susceptible | population replicate:1	time:before | hardiness:susceptible | population replicate:2	time:before | hardiness:susceptible | population replicate:2	time:before | hardiness:susceptible | population replicate:2	time:before | hardiness:susceptible | population replicate:2	time:before | hardiness:susceptible | population replicate:2	time:before | hardiness:susceptible | population replicate:2	time:before | hardiness:susceptible | population replicate:2	time:before | hardiness:susceptible | population replicate:2	time:during | hardiness:hardy | population replicate:1	time:during | hardiness:hardy | population replicate:1	time:during | hardiness:hardy | population replicate:1	time:during | hardiness:hardy | population replicate:1	time:during | hardiness:hardy | population replicate:1	time:during | hardiness:hardy | population replicate:1	time:during | hardiness:hardy | population replicate:1	time:during | hardiness:hardy | population replicate:1	time:during | hardiness:hardy | population replicate:2	time:during | hardiness:hardy | population replicate:2	time:during | hardiness:hardy | population replicate:2	time:during | hardiness:hardy | population replicate:2	time:during | hardiness:hardy | population replicate:2	time:during | hardiness:hardy | population replicate:2	time:during | hardiness:hardy | population replicate:2	time:during | hardiness:hardy | population replicate:2	time:during | hardiness:susceptible | population replicate:1	time:during | hardiness:susceptible | population replicate:1	time:during | hardiness:susceptible | population replicate:1	time:during | hardiness:susceptible | population replicate:1	time:during | hardiness:susceptible | population replicate:1	time:during | hardiness:susceptible | population replicate:1	time:during | hardiness:susceptible | population replicate:1	time:during | hardiness:susceptible | population replicate:1	time:during | hardiness:susceptible | population replicate:2	time:during | hardiness:susceptible | population replicate:2	time:during | hardiness:susceptible | population replicate:2	time:during | hardiness:susceptible | population replicate:2	time:during | hardiness:susceptible | population replicate:2	time:during | hardiness:susceptible | population replicate:2	time:during | hardiness:susceptible | population replicate:2	time:during | hardiness:susceptible | population replicate:2	
3-Hydroxykynurenine	0.0003	0.0003	0.0003	0.0003	0.0003	0.0002	0.0001	0.0003	0.0001	0.0001	0.0001	0.0000	-0.0000	0.0001	0.0001	-0.0000	0.0004	0.0003	0.0004	0.0004	0.0004	0.0003	0.0003	0.0001	0.0002	0.0004	0.0004	0.0003	0.0003	0.0004	0.0004	0.0003	0.0000	0.0002	0.0002	0.0002	0.0002	0.0001		0.0003		0.0001	0.0001	-0.0000	0.0001	0.0001	0.0000	0.0000	0.0004	0.0008	0.0007	0.0007	0.0004	0.0006	0.0005	0.0006	0.0003	0.0005	0.0005	0.0005	0.0004	0.0003	0.0003	0.0004	0.0002	0.0003	0.0003	0.0002	0.0003	0.0001	0.0002	0.0001	0.0001	0.0001	0.0001	-0.0000	0.0000	-0.0000	0.0000	0.0001	0.0004	0.0005	0.0004	0.0005	0.0004	0.0005	0.0005	0.0005	0.0003	0.0004	0.0003	0.0006	0.0004	0.0005	0.0005	0.0002
Acetate	0.0059	0.0060	0.0076	0.0068	0.0054	0.0069	0.0070	0.0054	0.0122	0.0100	0.0105	0.0138	0.0083	0.0050	0.0089	0.0070	0.0072	0.0077	0.0068	0.0087	0.0092	0.0093	0.0106	0.0083	0.0121	0.0157	0.0117	0.0094	0.0095	0.0120	0.0126	0.0110	0.0047	0.0053	0.0061	0.0071	0.0090	0.0067	0.0089	0.0090	0.0081	0.0117	0.0074	0.0066	0.0059	0.0092	0.0114	0.0104	0.0062	0.0056	0.0074	0.0069	0.0065	0.0093	0.0065	0.0079	0.0109	0.0128	0.0115	0.0114	0.0114	0.0088	0.0119	0.0107	0.0093	0.0101	0.0106	0.0096	0.0093	0.0085	0.0115	0.0062	0.0121	0.0117	0.0133	0.0130	0.0104	0.0125	0.0134	0.0130	0.0085	0.0085	0.0079	0.0080	0.0069	0.0076	0.0085	0.0099	0.0098	0.0117	0.0125	0.0134	0.0089	0.0120	0.0132	0.0093
ADP	0.0008	0.0012	0.0015	0.0013	0.0011	0.0012	0.0011	0.0012	0.0005	0.0005	0.0005	0.0008	0.0007	0.0006	0.0005	0.0003	0.0009	0.0009	0.0011	0.0014	0.0014	0.0011	0.0009	0.0004	0.0008	0.0009	0.0013	0.0010	0.0010	0.0011	0.0015	0.0004	0.0008	0.0013	0.0014	0.0016	0.0016	0.0012	0.0015	0.0014	0.0007	0.0010	0.0003	0.0009	0.0008	0.0009	0.0008	0.0005	0.0011	0.0017	0.0018	0.0018	0.0015	0.0017	0.0017	0.0015	0.0009	0.0012	0.0012	0.0008	0.0010	0.0013	0.0009	0.0008	0.0015	0.0012	0.0011	0.0019	0.0014	0.0014	0.0013	0.0013	0.0006	0.0008	0.0006	0.0007	0.0009	0.0008	0.0006	0.0006	0.0015	0.0018	0.0016	0.0018	0.0020	0.0015	0.0016	0.0008	0.0013	0.0006	0.0015	0.0018	0.0009	0.0014	0.0011	0.0003
Alanine	0.0147	0.0154	0.0167	0.0132	0.0144	0.0135	0.0171	0.0134	0.0204	0.0195	0.0215	0.0235	0.0231	0.0221	0.0189	0.0276	0.0192	0.0193	0.0170	0.0223	0.0217	0.0194	0.0232	0.0314	0.0225	0.0203	0.0184	0.0204	0.0223	0.0208	0.0166	0.0188	0.0176	0.0164	0.0125	0.0147	0.0158	0.0173	0.0169	0.0180	0.0190	0.0161	0.0127	0.0186	0.0157	0.0156	0.0206	0.0208	0.0190	0.0174	0.0211	0.0170	0.0171	0.0190	0.0170	0.0238	0.0183	0.0213	0.0210	0.0240	0.0237	0.0164	0.0214	0.0231	0.0180	0.0162	0.0214	0.0210	0.0155	0.0154	0.0196	0.0190	0.0211	0.0207	0.0225	0.0221	0.0183	0.0213	0.0205	0.0256	0.0185	0.0158	0.0179	0.0205	0.0160	0.0194	0.0186	0.0239	0.0165	0.0182	0.0204	0.0174	0.0159	0.0204	0.0202	0.0172
AMP	0.0024	0.0024	0.0023	0.0022	0.0022	0.0023	0.0022	0.0022	0.0024	0.0019	0.0021	0.0022	0.0021	0.0019	0.0019	0.0015	0.0025	0.0023	0.0019	0.0024	0.0026	0.0022	0.0026	0.0020	0.0037	0.0030	0.0026	0.0029	0.0028	0.0031	0.0024	0.0030	0.0023	0.0027	0.0026	0.0021	0.0026	0.0027	0.0026	0.0030	0.0021	0.0019	0.0020	0.0021	0.0018	0.0015	0.0020	0.0021	0.0019	0.0017	0.0021	0.0019	0.0017	0.0025	0.0022	0.0024	0.0028	0.0028	0.0028	0.0030	0.0032	0.0017	0.0027	0.0032	0.0022	0.0022	0.0026	0.0027	0.0021	0.0024	0.0025	0.0024	0.0025	0.0024	0.0021	0.0023	0.0015	0.0023	0.0019	0.0025	0.0020	0.0015	0.0018	0.0021	0.0014	0.0023	0.0022	0.0025	0.0025	0.0033	0.0029	0.0022	0.0024	0.0027	0.0028	0.0027
Arginine	0.0048	0.0062	0.0066	0.0057	0.0051	0.0055	0.0048	0.0049	0.0055	0.0074	0.0098	0.0061	0.0055	0.0073	0.0068	0.0068	0.0050	0.0050	0.0049	0.0060	0.0056	0.0046	0.0055	0.0049	0.0072	0.0083	0.0066	0.0095	0.0083	0.0088	0.0079	0.0060	0.0045	0.0056	0.0053	0.0053	0.0052	0.0046	0.0066	0.0054	0.0053	0.0052	0.0090	0.0054	0.0060	0.0113	0.0066	0.0076	0.0059	0.0059	0.0068	0.0053	0.0052	0.0057	0.0054	0.0063	0.0068	0.0096	0.0068	0.0096	0.0077	0.0101	0.0089	0.0080	0.0054	0.0047	0.0067	0.0060	0.0047	0.0054	0.0053	0.0048	0.0054	0.0059	0.0092	0.0063	0.0076	0.0054	0.0062	0.0065	0.0053	0.0058	0.0060	0.0057	0.0059	0.0054	0.0075	0.0051	0.0093	0.0079	0.0071	0.0082	0.0048	0.0096	0.0070	0.0116
Asparagine	0.0007	0.0012	0.0013	0.0012	0.0009	0.0008	0.0008	0.0006	0.0002	0.0006	0.0002	-0.0001	0.0001	0.0008	0.0006	-0.0000	0.0003	0.0006	0.0005	0.0014	0.0003	0.0006	0.0010	0.0005	0.0005	0.0003	0.0009	0.0008	0.0014	0.0008	0.0007	0.0010	0.0001	0.0010	0.0003	0.0010	0.0006	-0.0001	0.0011	0.0005	0.0007	0.0004	0.0005	0.0002	0.0003	0.0010	0.0003	0.0003	0.0003	0.0010	0.0008	0.0006	0.0006	0.0011	0.0008	0.0012	0.0008	0.0010	0.0006	0.0007	0.0010	0.0008	0.0003	0.0005	0.0012	0.0007	0.0012	0.0011	0.0008	0.0009	0.0006	0.0013	0.0002	0.0001	0.0007	-0.0001	0.0007	-0.0001	-0.0005	0.0005	0.0007	0.0009	0.0007	0.0010	0.0008	0.0008	0.0006	0.0007	0.0013	0.0010	0.0008	0.0010	0.0002	0.0006	0.0005	0.0012
Aspartate	0.0003	0.0008	0.0014	0.0010	0.0004	0.0009	0.0004	0.0008	-0.0002	0.0003	0.0001	0.0000	-0.0004	0.0001	0.0002	-0.0008	0.0004	0.0004	0.0005	0.0008	0.0001	0.0003	0.0003	-0.0003	0.0006	0.0009	0.0013	0.0010	0.0008	0.0010	0.0014	0.0012	-0.0005	0.0001	0.0006	0.0005	0.0006	-0.0001	0.0005	-0.0003	-0.0001	0.0000	0.0010	-0.0000	-0.0001	0.0007	-0.0000	-0.0001	0.0001	0.0012	0.0007	0.0007	0.0006	0.0006	0.0008	0.0004	0.0007	0.0007	0.0005	0.0004	0.0005	0.0010	0.0002	0.0002	0.0011	0.0004	0.0005	0.0006	0.0010	0.0015	0.0007	0.0010	-0.0000	0.0002	0.0002	-0.0003	0.0008	-0.0002	-0.0006	-0.0001	0.0012	0.0019	0.0019	0.0013	0.0023	0.0014	0.0018	0.0002	0.0026	0.0022	0.0020	0.0026	0.0010	0.0021	0.0012	0.0018
Dimethylamine	0.0003	0.0006	0.0006	0.0007	0.0004	0.0005	0.0004	0.0005	0.0001	0.0003	0.0002	0.0002	0.0001	0.0004	0.0002	0.0001	0.0001	0.0001	0.0003	0.0004	0.0002	0.0001	0.0002	0.0001	0.0003	0.0003	0.0003	0.0003	0.0002	0.0004	0.0004	0.0004	0.0009	0.0009	0.0007	0.0010	0.0009	0.0011	0.0008	0.0018	0.0001	0.0000	0.0003	0.0002	0.0001	0.0004	0.0001	0.0002	0.0003	0.0003	0.0003	0.0003	0.0002	0.0005	0.0004	0.0005	0.0004	0.0002	0.0001	0.0001	0.0003	0.0001	0.0000	0.0002	0.0011	0.0013	0.0014	0.0011	0.0007	0.0009	0.0006	0.0010	0.0002	0.0001	0.0002	0.0000	0.0004	0.0001	0.0001	0.0002	0.0003	0.0002	0.0002	0.0003	0.0003	0.0005	0.0003	0.0005	0.0004	0.0002	0.0004	0.0006	0.0003	0.0003	0.0003	0.0004
Formate	0.0005	0.0005	0.0006	0.0005	0.0005	0.0006	0.0005	0.0005	0.0006	0.0005	0.0006	0.0006	0.0007	0.0006	0.0005	0.0005	0.0004	0.0004	0.0004	0.0007	0.0006	0.0004	0.0004	0.0004	0.0007	0.0007	0.0006	0.0007	0.0005	0.0009	0.0006	0.0005	0.0006	0.0004	0.0004	0.0004	0.0005	0.0004	0.0006	0.0007	0.0005	0.0004	0.0003	0.0004	0.0006	0.0004	0.0004	0.0005	0.0004	0.0003	0.0004	0.0004	0.0003	0.0004	0.0004	0.0005	0.0005	0.0007	0.0006	0.0006	0.0006	0.0005	0.0006	0.0006	0.0006	0.0005	0.0005	0.0006	0.0005	0.0005	0.0006	0.0006	0.0005	0.0006	0.0004	0.0008	0.0005	0.0005	0.0005	0.0006	0.0004	0.0003	0.0004	0.0004	0.0004	0.0004	0.0006	0.0005	0.0007	0.0007	0.0006	0.0007	0.0005	0.0007	0.0007	0.0006
Fructose	0.0053	0.0040	0.0049	0.0051	0.0057	0.0063	0.0050	0.0050	0.0045	0.0046	0.0043	0.0049	0.0042	0.0043	0.0048	0.0062	0.0043	0.0045	0.0041	0.0038	0.0052	0.0035	0.0044	0.0052	0.0041	0.0041	0.0043	0.0029	0.0031	0.0042	0.0042	0.0045	0.0080	0.0047	0.0042	0.0049	0.0045	0.0045	0.0045	0.0057	0.0064	0.0056	0.0050	0.0058	0.0052	0.0042	0.0050	0.0045	0.0052	0.0044	0.0040	0.0042	0.0043	0.0046	0.0040	0.0040	0.0042	0.0035	0.0036	0.0044	0.0044	0.0032	0.0033	0.0042	0.0044	0.0054	0.0053	0.0052	0.0052	0.0037	0.0056	0.0053	0.0045	0.0042	0.0044	0.0049	0.0053	0.0041	0.0069	0.0045	0.0035	0.0035	0.0038	0.0041	0.0034	0.0039	0.0038	0.0044	0.0044	0.0033	0.0045	0.0038	0.0070	0.0035	0.0039	0.0037
Fumarate	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0000	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0000	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	-0.0000	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0000	0.0001	0.0001	0.0001	0.0002	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0002	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0002	0.0001	0.0002	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0000	0.0000	0.0001	-0.0001	0.0001	0.0002	0.0001	0.0001	0.0001	0.0002	0.0001	0.0001	0.0001	0.0000	0.0001	0.0000	0.0001	0.0001	0.0001	0.0001	0.0000	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001
Glucose	0.0095	0.0082	0.0081	0.0080	0.0093	0.0095	0.0093	0.0087	0.0104	0.0099	0.0101	0.0119	0.0110	0.0091	0.0110	0.0129	0.0122	0.0111	0.0117	0.0142	0.0123	0.0110	0.0142	0.0152	0.0125	0.0104	0.0115	0.0106	0.0109	0.0123	0.0106	0.0132	0.0110	0.0088	0.0074	0.0081	0.0078	0.0077	0.0089	0.0091	0.0118	0.0112	0.0081	0.0113	0.0101	0.0080	0.0106	0.0101	0.0086	0.0075	0.0091	0.0090	0.0080	0.0112	0.0096	0.0114	0.0104	0.0111	0.0120	0.0120	0.0130	0.0092	0.0094	0.0110	0.0075	0.0092	0.0107	0.0105	0.0080	0.0068	0.0083	0.0093	0.0111	0.0116	0.0097	0.0101	0.0103	0.0103	0.0103	0.0121	0.0109	0.0096	0.0092	0.0107	0.0101	0.0110	0.0118	0.0135	0.0107	0.0125	0.0118	0.0092	0.0112	0.0104	0.0118	0.0111
Glutamate	0.0109	0.0118	0.0145	0.0116	0.0110	0.0123	0.0123	0.0110	0.0116	0.0126	0.0121	0.0164	0.0141	0.0126	0.0117	0.0112	0.0111	0.0108	0.0109	0.0140	0.0123	0.0112	0.0123	0.0096	0.0143	0.0134	0.0134	0.0141	0.0132	0.0156	0.0138	0.0134	0.0122	0.0138	0.0137	0.0139	0.0152	0.0139	0.0159	0.0143	0.0135	0.0144	0.0128	0.0141	0.0127	0.0127	0.0146	0.0129	0.0137	0.0163	0.0174	0.0156	0.0144	0.0158	0.0160	0.0164	0.0169	0.0179	0.0180	0.0173	0.0178	0.0153	0.0165	0.0164	0.0123	0.0103	0.0121	0.0140	0.0117	0.0113	0.0126	0.0122	0.0133	0.0134	0.0132	0.0135	0.0123	0.0135	0.0112	0.0138	0.0118	0.0116	0.0123	0.0123	0.0132	0.0113	0.0135	0.0103	0.0126	0.0129	0.0132	0.0138	0.0113	0.0140	0.0126	0.0112
Glutamine	0.0151	0.0137	0.0181	0.0169	0.0146	0.0174	0.0145	0.0132	0.0130	0.0131	0.0129	0.0156	0.0147	0.0143	0.0119	0.0123	0.0137	0.0149	0.0129	0.0163	0.0146	0.0152	0.0141	0.0113	0.0209	0.0174	0.0188	0.0198	0.0182	0.0219	0.0190	0.0180	0.0126	0.0125	0.0121	0.0136	0.0138	0.0112	0.0142	0.0128	0.0132	0.0148	0.0104	0.0158	0.0142	0.0122	0.0144	0.0128	0.0121	0.0155	0.0143	0.0131	0.0133	0.0146	0.0125	0.0131	0.0147	0.0156	0.0153	0.0155	0.0145	0.0121	0.0131	0.0158	0.0165	0.0126	0.0145	0.0170	0.0149	0.0157	0.0176	0.0163	0.0143	0.0145	0.0139	0.0141	0.0156	0.0133	0.0129	0.0133	0.0156	0.0164	0.0153	0.0187	0.0168	0.0148	0.0159	0.0114	0.0187	0.0186	0.0201	0.0219	0.0176	0.0191	0.0169	0.0147
Glycine	0.0047	0.0046	0.0051	0.0043	0.0047	0.0056	0.0050	0.0049	0.0051	0.0044	0.0046	0.0056	0.0052	0.0045	0.0048	0.0066	0.0055	0.0057	0.0052	0.0066	0.0061	0.0048	0.0060	0.0063	0.0055	0.0055	0.0052	0.0044	0.0045	0.0051	0.0057	0.0050	0.0070	0.0044	0.0038	0.0045	0.0046	0.0046	0.0049	0.0053	0.0055	0.0053	0.0039	0.0052	0.0045	0.0041	0.0047	0.0046	0.0050	0.0048	0.0057	0.0051	0.0051	0.0054	0.0053	0.0060	0.0046	0.0046	0.0046	0.0049	0.0051	0.0037	0.0040	0.0048	0.0049	0.0050	0.0055	0.0056	0.0049	0.0045	0.0053	0.0055	0.0051	0.0050	0.0046	0.0047	0.0047	0.0046	0.0054	0.0053	0.0047	0.0045	0.0049	0.0052	0.0053	0.0054	0.0053	0.0060	0.0047	0.0045	0.0051	0.0047	0.0053	0.0043	0.0054	0.0038
Histidine	0.0030	0.0037	0.0043	0.0038	0.0034	0.0039	0.0037	0.0034	0.0029	0.0026	0.0028	0.0032	0.0029	0.0027	0.0027	0.0027	0.0019	0.0020	0.0019	0.0023	0.0023	0.0021	0.0022	0.0019	0.0034	0.0027	0.0036	0.0030	0.0032	0.0033	0.0029	0.0026	0.0031	0.0038	0.0040	0.0039	0.0040	0.0038	0.0042	0.0037	0.0028	0.0032	0.0027	0.0032	0.0026	0.0022	0.0030	0.0026	0.0017	0.0019	0.0019	0.0017	0.0017	0.0017	0.0018	0.0020	0.0025	0.0031	0.0036	0.0030	0.0036	0.0029	0.0033	0.0033	0.0040	0.0034	0.0039	0.0049	0.0036	0.0040	0.0038	0.0039	0.0028	0.0032	0.0025	0.0029	0.0031	0.0029	0.0024	0.0031	0.0014	0.0017	0.0017	0.0016	0.0017	0.0017	0.0026	0.0019	0.0033	0.0034	0.0037	0.0033	0.0025	0.0033	0.0033	0.0028
Isoleucine	0.0009	0.0009	0.0013	0.0009	0.0008	0.0011	0.0010	0.0009	0.0010	0.0015	0.0023	0.0013	0.0014	0.0015	0.0015	0.0021	0.0011	0.0010	0.0009	0.0012	0.0010	0.0010	0.0011	0.0013	0.0017	0.0017	0.0014	0.0023	0.0017	0.0021	0.0017	0.0014	0.0008	0.0008	0.0008	0.0006	0.0008	0.0007	0.0009	0.0010	0.0011	0.0009	0.0013	0.0010	0.0009	0.0037	0.0014	0.0017	0.0010	0.0011	0.0009	0.0010	0.0008	0.0008	0.0009	0.0010	0.0014	0.0019	0.0014	0.0019	0.0017	0.0026	0.0022	0.0018	0.0010	0.0009	0.0012	0.0010	0.0009	0.0010	0.0010	0.0010	0.0010	0.0011	0.0024	0.0013	0.0014	0.0013	0.0014	0.0014	0.0010	0.0011	0.0012	0.0010	0.0011	0.0010	0.0013	0.0011	0.0019	0.0016	0.0017	0.0018	0.0013	0.0022	0.0017	0.0019
Kynurenate	0.0001	0.0002	0.0002	0.0002	0.0001	0.0001	0.0002	0.0002	0.0001	0.0001	0.0001	0.0002	0.0002	0.0001	0.0002	0.0001	0.0001	0.0001	0.0001	0.0002	0.0002	0.0002	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0002	0.0002	0.0001	0.0001	0.0001	0.0001	0.0002	0.0001	0.0002	0.0001	0.0001	0.0002	0.0000	0.0001	0.0002	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0002	0.0002	0.0001	0.0001	0.0002	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0002	0.0002	0.0002	0.0002	0.0001	0.0001	0.0002	0.0001	0.0001	0.0001	0.0001	0.0001	0.0000	0.0001	0.0001	0.0002	0.0001	0.0002	0.0001	0.0002	0.0001	0.0002	0.0002	0.0001	0.0001	0.0002	0.0001	0.0001	0.0001	0.0001	0.0001
Kynurenine	0.0005	0.0006	0.0006	0.0005	0.0004	0.0004	0.0005	0.0006	0.0002	0.0003	0.0003	0.0003	0.0004	0.0002	0.0003	0.0000	0.0004	0.0004	0.0004	0.0004	0.0004	0.0003	0.0004	0.0003	0.0003	0.0003	0.0004	0.0003	0.0003	0.0002	0.0003	0.0002	0.0002	0.0006	0.0005	0.0006	0.0004	0.0005	0.0005	0.0005	0.0002	0.0005	0.0006	0.0003	0.0002	0.0003	0.0004	0.0004	0.0003	0.0008	0.0006	0.0005	0.0005	0.0006	0.0005	0.0004	0.0003	0.0003	0.0003	0.0002	0.0004	0.0003	0.0002	0.0001	0.0005	0.0003	0.0003	0.0006	0.0006	0.0005	0.0004	0.0005	0.0003	0.0003	0.0001	0.0003	0.0003	0.0003	0.0001	0.0004	0.0004	0.0005	0.0004	0.0004	0.0005	0.0004	0.0005	0.0004	0.0005	0.0005	0.0003	0.0003	0.0002	0.0002	0.0003	0.0004
Lactate	0.0013	0.0011	0.0013	0.0015	0.0010	0.0013	0.0014	0.0013	0.0020	0.0020	0.0018	0.0017	0.0023	0.0025	0.0026	0.0038	0.0017	0.0018	0.0016	0.0021	0.0024	0.0015	0.0024	0.0037	0.0019	0.0016	0.0015	0.0017	0.0017	0.0019	0.0015	0.0014	0.0062	0.0015	0.0013	0.0015	0.0017	0.0014	0.0015	0.0016	0.0024	0.0012	0.0020	0.0016	0.0015	0.0018	0.0017	0.0018	0.0026	0.0012	0.0016	0.0011	0.0012	0.0012	0.0013	0.0021	0.0016	0.0020	0.0017	0.0022	0.0022	0.0016	0.0019	0.0019	0.0015	0.0013	0.0017	0.0018	0.0013	0.0009	0.0015	0.0018	0.0017	0.0017	0.0019	0.0019	0.0033	0.0017	0.0021	0.0024	0.0009	0.0007	0.0008	0.0011	0.0009	0.0010	0.0017	0.0029	0.0011	0.0013	0.0012	0.0013	0.0028	0.0014	0.0014	0.0018
?Leucine	0.0039	0.0041	0.0047	0.0039	0.0035	0.0044	0.0040	0.0037	0.0038	0.0062	0.0060	0.0058	0.0051	0.0056	0.0058	0.0076	0.0043	0.0037	0.0041	0.0047	0.0043	0.0037	0.0046	0.0050	0.0062	0.0055	0.0052	0.0066	0.0058	0.0070	0.0056	0.0049	0.0043	0.0035	0.0037	0.0031	0.0036	0.0034	0.0044	0.0040	0.0044	0.0044	0.0078	0.0043	0.0051	0.0090	0.0053	0.0058	0.0040	0.0040	0.0041	0.0040	0.0034	0.0037	0.0039	0.0043	0.0050	0.0051	0.0043	0.0056	0.0056	0.0060	0.0051	0.0048	0.0038	0.0038	0.0045	0.0048	0.0037	0.0037	0.0042	0.0041	0.0046	0.0053	0.0059	0.0053	0.0060	0.0049	0.0051	0.0054	0.0044	0.0046	0.0047	0.0042	0.0049	0.0040	0.0048	0.0046	0.0068	0.0067	0.0055	0.0057	0.0042	0.0063	0.0051	0.0083
Lysine	0.0022	0.0035	0.0034	0.0039	0.0027	0.0026	0.0022	0.0026	0.0013	0.0019	0.0018	0.0019	0.0014	0.0018	0.0021	0.0012	0.0015	0.0017	0.0024	0.0025	0.0018	0.0018	0.0019	0.0012	0.0016	0.0018	0.0022	0.0020	0.0024	0.0021	0.0025	0.0017	0.0019	0.0028	0.0024	0.0029	0.0027	0.0025	0.0036	0.0031	0.0014	0.0017	0.0020	0.0018	0.0012	0.0021	0.0012	0.0011	0.0016	0.0018	0.0021	0.0026	0.0018	0.0032	0.0027	0.0030	0.0018	0.0023	0.0021	0.0018	0.0023	0.0016	0.0013	0.0018	0.0035	0.0026	0.0035	0.0034	0.0023	0.0033	0.0019	0.0037	0.0019	0.0021	0.0020	0.0016	0.0027	0.0016	0.0011	0.0020	0.0018	0.0021	0.0020	0.0025	0.0019	0.0035	0.0029	0.0028	0.0024	0.0026	0.0020	0.0027	0.0015	0.0017	0.0018	0.0023
Malate	0.0011	0.0012	0.0015	0.0012	0.0010	0.0013	0.0011	0.0011	0.0009	0.0010	0.0010	0.0012	0.0010	0.0009	0.0008	0.0004	0.0009	0.0008	0.0010	0.0012	0.0010	0.0009	0.0009	0.0003	0.0010	0.0011	0.0013	0.0011	0.0011	0.0013	0.0013	0.0012	0.0006	0.0011	0.0011	0.0012	0.0013	0.0011	0.0012	0.0011	0.0007	0.0011	0.0011	0.0009	0.0010	0.0010	0.0009	0.0007	0.0010	0.0013	0.0014	0.0013	0.0011	0.0013	0.0014	0.0011	0.0014	0.0014	0.0014	0.0013	0.0014	0.0014	0.0012	0.0012	0.0012	0.0011	0.0012	0.0013	0.0013	0.0014	0.0013	0.0012	0.0011	0.0011	0.0011	0.0012	0.0013	0.0012	0.0008	0.0010	0.0013	0.0012	0.0014	0.0011	0.0013	0.0013	0.0015	0.0009	0.0015	0.0015	0.0015	0.0015	0.0015	0.0015	0.0014	0.0013
Maltose	0.0068	0.0040	0.0050	0.0062	0.0071	0.0067	0.0053	0.0059	0.0098	0.0118	0.0080	0.0092	0.0081	0.0089	0.0102	0.0129	0.0109	0.0108	0.0121	0.0109	0.0111	0.0115	0.0143	0.0165	0.0030	0.0058	0.0046	0.0020	0.0059	0.0028	0.0058	0.0048	0.0084	0.0045	0.0055	0.0045	0.0045	0.0037	0.0081	0.0073	0.0089	0.0089	0.0128	0.0103	0.0176	0.0091	0.0086	0.0117	0.0133	0.0095	0.0089	0.0124	0.0108	0.0108	0.0101	0.0116	0.0061	0.0038	0.0031	0.0039	0.0043	0.0076	0.0027	0.0033	0.0028	0.0041	0.0042	0.0047	0.0041	0.0038	0.0044	0.0041	0.0080	0.0128	0.0064	0.0096	0.0135	0.0088	0.0099	0.0085	0.0120	0.0127	0.0118	0.0114	0.0104	0.0112	0.0120	0.0125	0.0079	0.0062	0.0050	0.0031	0.0034	0.0025	0.0030	0.0070
methionine sulfoxide	0.0046	0.0083	0.0086	0.0108	0.0072	0.0060	0.0043	0.0065	0.0036	0.0054	0.0057	0.0066	0.0038	0.0044	0.0052	0.0047	0.0028	0.0028	0.0054	0.0038	0.0049	0.0029	0.0024	0.0021	0.0037	0.0042	0.0046	0.0038	0.0037	0.0054	0.0057	0.0036	0.0054	0.0072	0.0077	0.0076	0.0081	0.0087	0.0093	0.0090	0.0024	0.0042	0.0030	0.0050	0.0025	0.0043	0.0035	0.0022	0.0035	0.0036	0.0040	0.0064	0.0035	0.0074	0.0062	0.0058	0.0038	0.0044	0.0048	0.0047	0.0053	0.0030	0.0034	0.0049	0.0094	0.0075	0.0089	0.0095	0.0060	0.0092	0.0055	0.0082	0.0049	0.0050	0.0052	0.0054	0.0059	0.0048	0.0045	0.0053	0.0030	0.0032	0.0034	0.0052	0.0033	0.0089	0.0067	0.0063	0.0040	0.0050	0.0041	0.0063	0.0042	0.0038	0.0042	0.0030
NAD+	0.0004	0.0004	0.0004	0.0004	0.0004	0.0005	0.0004	0.0004	0.0004	0.0003	0.0003	0.0004	0.0005	0.0003	0.0004	0.0003	0.0004	0.0005	0.0004	0.0006	0.0005	0.0004	0.0005	0.0004	0.0005	0.0004	0.0006	0.0005	0.0004	0.0005	0.0005	0.0004	0.0004	0.0004	0.0004	0.0004	0.0004	0.0004	0.0004	0.0004	0.0004	0.0004	0.0004	0.0004	0.0003	0.0003	0.0004	0.0003	0.0003	0.0004	0.0005	0.0004	0.0004	0.0005	0.0004	0.0005	0.0004	0.0005	0.0005	0.0004	0.0005	0.0004	0.0004	0.0005	0.0004	0.0004	0.0004	0.0005	0.0004	0.0004	0.0004	0.0004	0.0004	0.0004	0.0003	0.0005	0.0003	0.0004	0.0004	0.0004	0.0004	0.0004	0.0005	0.0005	0.0005	0.0004	0.0005	0.0004	0.0004	0.0004	0.0005	0.0005	0.0003	0.0004	0.0005	0.0003
O-Phosphocholine	0.0120	0.0133	0.0158	0.0126	0.0134	0.0155	0.0138	0.0128	0.0123	0.0113	0.0130	0.0138	0.0121	0.0116	0.0095	0.0113	0.0078	0.0077	0.0074	0.0090	0.0100	0.0081	0.0076	0.0075	0.0089	0.0082	0.0089	0.0082	0.0076	0.0107	0.0081	0.0085	0.0134	0.0145	0.0144	0.0145	0.0142	0.0148	0.0139	0.0150	0.0109	0.0114	0.0111	0.0135	0.0122	0.0097	0.0119	0.0106	0.0086	0.0106	0.0095	0.0088	0.0092	0.0085	0.0087	0.0080	0.0084	0.0083	0.0081	0.0095	0.0090	0.0067	0.0075	0.0087	0.0135	0.0134	0.0149	0.0174	0.0141	0.0141	0.0165	0.0141	0.0128	0.0117	0.0123	0.0141	0.0105	0.0129	0.0120	0.0112	0.0086	0.0088	0.0093	0.0100	0.0088	0.0085	0.0089	0.0068	0.0086	0.0085	0.0094	0.0097	0.0090	0.0090	0.0085	0.0076
Proline	0.0069	0.0063	0.0079	0.0077	0.0068	0.0080	0.0066	0.0068	0.0072	0.0080	0.0079	0.0085	0.0074	0.0073	0.0067	0.0094	0.0064	0.0062	0.0061	0.0060	0.0081	0.0058	0.0062	0.0066	0.0070	0.0065	0.0070	0.0057	0.0057	0.0077	0.0064	0.0074	0.0094	0.0081	0.0083	0.0084	0.0085	0.0089	0.0086	0.0099	0.0089	0.0075	0.0081	0.0079	0.0077	0.0071	0.0092	0.0081	0.0084	0.0085	0.0078	0.0083	0.0075	0.0085	0.0077	0.0075	0.0082	0.0079	0.0083	0.0091	0.0091	0.0072	0.0079	0.0085	0.0071	0.0071	0.0079	0.0083	0.0073	0.0066	0.0081	0.0060	0.0072	0.0069	0.0066	0.0080	0.0076	0.0073	0.0094	0.0073	0.0059	0.0058	0.0064	0.0065	0.0070	0.0059	0.0068	0.0060	0.0069	0.0061	0.0069	0.0062	0.0075	0.0069	0.0066	0.0057
Propionate	0.0021	0.0017	0.0029	0.0026	0.0018	0.0022	0.0023	0.0018	0.0026	0.0032	0.0043	0.0038	0.0021	0.0023	0.0039	0.0036	0.0027	0.0030	0.0028	0.0023	0.0030	0.0016	0.0025	0.0020	0.0033	0.0055	0.0045	0.0035	0.0029	0.0033	0.0059	0.0041	0.0015	0.0013	0.0022	0.0023	0.0031	0.0019	0.0028	0.0027	0.0028	0.0049	0.0024	0.0027	0.0021	0.0080	0.0036	0.0042	0.0029	0.0022	0.0021	0.0026	0.0020	0.0026	0.0022	0.0021	0.0037	0.0043	0.0033	0.0043	0.0031	0.0049	0.0040	0.0041	0.0024	0.0036	0.0032	0.0021	0.0028	0.0025	0.0034	0.0018	0.0026	0.0022	0.0058	0.0031	0.0041	0.0027	0.0048	0.0029	0.0021	0.0022	0.0024	0.0020	0.0023	0.0026	0.0024	0.0030	0.0039	0.0027	0.0038	0.0040	0.0023	0.0040	0.0036	0.0031
Serine	0.0317	0.0273	0.0329	0.0314	0.0338	0.0349	0.0303	0.0295	0.0308	0.0315	0.0290	0.0323	0.0281	0.0286	0.0284	0.0343	0.0306	0.0314	0.0313	0.0307	0.0351	0.0293	0.0335	0.0338	0.0269	0.0256	0.0276	0.0214	0.0259	0.0276	0.0253	0.0256	0.0348	0.0291	0.0295	0.0297	0.0294	0.0288	0.0336	0.0348	0.0320	0.0318	0.0324	0.0339	0.0374	0.0254	0.0310	0.0303	0.0342	0.0322	0.0309	0.0337	0.0312	0.0337	0.0316	0.0324	0.0264	0.0246	0.0256	0.0277	0.0296	0.0264	0.0256	0.0264	0.0270	0.0294	0.0300	0.0334	0.0290	0.0266	0.0320	0.0294	0.0301	0.0312	0.0267	0.0332	0.0342	0.0293	0.0352	0.0291	0.0315	0.0325	0.0334	0.0327	0.0312	0.0327	0.0339	0.0314	0.0298	0.0276	0.0304	0.0263	0.0296	0.0257	0.0261	0.0257
ß-Alanine	0.0215	0.0233	0.0270	0.0237	0.0219	0.0273	0.0231	0.0227	0.0223	0.0180	0.0197	0.0257	0.0228	0.0190	0.0191	0.0175	0.0204	0.0205	0.0191	0.0246	0.0220	0.0196	0.0198	0.0162	0.0219	0.0190	0.0210	0.0207	0.0190	0.0227	0.0225	0.0188	0.0189	0.0233	0.0245	0.0246	0.0254	0.0235	0.0250	0.0226	0.0186	0.0221	0.0174	0.0220	0.0208	0.0179	0.0207	0.0187	0.0197	0.0237	0.0254	0.0220	0.0213	0.0244	0.0233	0.0246	0.0189	0.0220	0.0228	0.0204	0.0212	0.0177	0.0193	0.0203	0.0242	0.0204	0.0236	0.0259	0.0244	0.0251	0.0254	0.0247	0.0236	0.0226	0.0205	0.0211	0.0193	0.0232	0.0182	0.0203	0.0217	0.0223	0.0227	0.0234	0.0238	0.0223	0.0242	0.0187	0.0205	0.0220	0.0226	0.0228	0.0174	0.0239	0.0209	0.0169
Succinate	0.0051	0.0050	0.0050	0.0041	0.0046	0.0043	0.0056	0.0054	0.0071	0.0060	0.0066	0.0066	0.0074	0.0067	0.0063	0.0083	0.0052	0.0054	0.0049	0.0061	0.0060	0.0054	0.0063	0.0081	0.0062	0.0053	0.0048	0.0046	0.0051	0.0056	0.0041	0.0061	0.0060	0.0057	0.0045	0.0050	0.0049	0.0055	0.0059	0.0071	0.0069	0.0047	0.0034	0.0059	0.0051	0.0047	0.0062	0.0062	0.0042	0.0038	0.0046	0.0045	0.0038	0.0053	0.0042	0.0061	0.0062	0.0058	0.0063	0.0065	0.0069	0.0038	0.0060	0.0062	0.0051	0.0050	0.0072	0.0059	0.0048	0.0044	0.0058	0.0066	0.0075	0.0057	0.0067	0.0066	0.0054	0.0072	0.0064	0.0086	0.0040	0.0024	0.0035	0.0044	0.0027	0.0045	0.0041	0.0063	0.0034	0.0044	0.0050	0.0035	0.0041	0.0045	0.0051	0.0043
Sucrose	0.0024	0.0024	0.0032	0.0027	0.0026	0.0025	0.0021	0.0022	0.0019	0.0023	0.0025	0.0028	0.0016	0.0016	0.0018	0.0025	0.0027	0.0029	0.0022	0.0022	0.0028	0.0023	0.0027	0.0023	0.0033	0.0043	0.0042	0.0021	0.0023	0.0032	0.0048	0.0038	0.0028	0.0026	0.0028	0.0029	0.0030	0.0031	0.0027	0.0034	0.0019	0.0022	0.0026	0.0026	0.0023	0.0023	0.0026	0.0025	0.0034	0.0043	0.0035	0.0032	0.0036	0.0025	0.0027	0.0024	0.0036	0.0032	0.0034	0.0040	0.0034	0.0031	0.0028	0.0037	0.0024	0.0028	0.0023	0.0033	0.0025	0.0026	0.0032	0.0022	0.0018	0.0013	0.0021	0.0028	0.0024	0.0021	0.0027	0.0018	0.0031	0.0036	0.0034	0.0034	0.0036	0.0026	0.0029	0.0018	0.0042	0.0026	0.0040	0.0036	0.0039	0.0032	0.0032	0.0026
Taurine	0.0142	0.0154	0.0169	0.0148	0.0146	0.0157	0.0143	0.0143	0.0155	0.0151	0.0149	0.0172	0.0151	0.0144	0.0149	0.0163	0.0154	0.0156	0.0157	0.0175	0.0178	0.0157	0.0168	0.0163	0.0203	0.0180	0.0191	0.0182	0.0176	0.0209	0.0182	0.0188	0.0143	0.0158	0.0148	0.0155	0.0159	0.0160	0.0164	0.0167	0.0141	0.0138	0.0128	0.0156	0.0138	0.0110	0.0142	0.0133	0.0146	0.0157	0.0173	0.0167	0.0145	0.0172	0.0171	0.0177	0.0170	0.0183	0.0204	0.0200	0.0212	0.0164	0.0183	0.0192	0.0156	0.0149	0.0170	0.0186	0.0151	0.0152	0.0162	0.0153	0.0155	0.0157	0.0141	0.0167	0.0147	0.0157	0.0140	0.0159	0.0155	0.0161	0.0160	0.0167	0.0171	0.0169	0.0184	0.0160	0.0183	0.0204	0.0208	0.0200	0.0183	0.0203	0.0195	0.0166
Threonine	0.0010	0.0011	0.0017	0.0011	0.0008	0.0011	0.0013	0.0010	0.0016	0.0019	0.0014	0.0012	0.0018	0.0020	0.0021	0.0023	0.0009	0.0007	0.0007	0.0010	0.0010	0.0007	0.0010	0.0014	0.0009	0.0010	0.0008	0.0010	0.0009	0.0009	0.0010	0.0009	0.0019	0.0012	0.0014	0.0009	0.0014	0.0012	0.0014	0.0012	0.0016	0.0008	0.0014	0.0008	0.0009	0.0014	0.0016	0.0012	0.0010	0.0007	0.0008	0.0007	0.0008	0.0007	0.0009	0.0011	0.0009	0.0011	0.0009	0.0011	0.0012	0.0012	0.0011	0.0011	0.0010	0.0009	0.0010	0.0011	0.0010	0.0012	0.0013	0.0011	0.0013	0.0016	0.0014	0.0017	0.0024	0.0014	0.0013	0.0015	0.0007	0.0006	0.0008	0.0006	0.0013	0.0009	0.0009	0.0011	0.0010	0.0009	0.0010	0.0009	0.0010	0.0010	0.0010	0.0010
Trehalose	0.0116	0.0148	0.0170	0.0150	0.0145	0.0176	0.0121	0.0140	0.0087	0.0066	0.0080	0.0103	0.0105	0.0062	0.0081	0.0008	0.0100	0.0121	0.0120	0.0109	0.0094	0.0093	0.0104	0.0005	0.0108	0.0157	0.0186	0.0115	0.0130	0.0124	0.0208	0.0075	0.0060	0.0098	0.0098	0.0125	0.0117	0.0109	0.0114	0.0110	0.0083	0.0136	0.0068	0.0108	0.0095	0.0081	0.0058	0.0033	0.0117	0.0162	0.0198	0.0153	0.0140	0.0134	0.0143	0.0101	0.0106	0.0142	0.0128	0.0103	0.0090	0.0103	0.0139	0.0087	0.0172	0.0158	0.0151	0.0115	0.0170	0.0184	0.0154	0.0153	0.0103	0.0082	0.0102	0.0109	0.0074	0.0112	0.0125	0.0059	0.0149	0.0158	0.0216	0.0168	0.0194	0.0165	0.0137	0.0084	0.0148	0.0086	0.0147	0.0210	0.0138	0.0156	0.0141	0.0037
Tyrosine	0.0008	0.0007	0.0008	0.0006	0.0006	0.0008	0.0009	0.0006	0.0006	0.0004	0.0006	0.0005	0.0004	0.0004	0.0003	0.0004	0.0009	0.0009	0.0009	0.0011	0.0011	0.0011	0.0011	0.0010	0.0010	0.0008	0.0010	0.0008	0.0009	0.0010	0.0008	0.0008	0.0005	0.0007	0.0004	0.0006	0.0005	0.0007	0.0006	0.0007	0.0008	0.0006	0.0006	0.0006	0.0006	0.0002	0.0006	0.0004	0.0008	0.0012	0.0012	0.0010	0.0009	0.0009	0.0010	0.0009	0.0008	0.0009	0.0009	0.0008	0.0010	0.0008	0.0009	0.0010	0.0007	0.0007	0.0008	0.0008	0.0008	0.0006	0.0007	0.0008	0.0005	0.0005	0.0004	0.0004	0.0003	0.0004	0.0004	0.0006	0.0010	0.0010	0.0008	0.0008	0.0007	0.0010	0.0011	0.0008	0.0011	0.0010	0.0011	0.0009	0.0008	0.0010	0.0009	0.0007
Valine	0.0017	0.0017	0.0023	0.0016	0.0015	0.0017	0.0016	0.0015	0.0016	0.0026	0.0029	0.0026	0.0024	0.0024	0.0024	0.0033	0.0021	0.0017	0.0018	0.0022	0.0020	0.0017	0.0020	0.0023	0.0028	0.0029	0.0027	0.0034	0.0028	0.0033	0.0027	0.0024	0.0016	0.0014	0.0015	0.0012	0.0016	0.0014	0.0021	0.0018	0.0020	0.0017	0.0023	0.0018	0.0018	0.0047	0.0027	0.0025	0.0019	0.0019	0.0019	0.0019	0.0017	0.0017	0.0018	0.0021	0.0024	0.0030	0.0024	0.0031	0.0029	0.0035	0.0032	0.0028	0.0018	0.0015	0.0018	0.0019	0.0014	0.0019	0.0019	0.0019	0.0020	0.0021	0.0033	0.0023	0.0027	0.0022	0.0022	0.0024	0.0019	0.0019	0.0021	0.0018	0.0023	0.0019	0.0024	0.0022	0.0030	0.0029	0.0028	0.0030	0.0020	0.0034	0.0025	0.0028
NMR_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	pubchem_id	inchi_key	kegg_id	other_id	other_id_type	ri	ri_type	moverz_quant	
3-Hydroxykynurenine	89		C03227	L-3-Hydroxykynurenine	UF_Caroline_Lab				
Acetate	176		C00033	Acetic acid	UF_Caroline_Lab				
ADP	6022		C00008	ADP	UF_Caroline_Lab				
Alanine	5950		C00041	L-Alanine	UF_Caroline_Lab				
AMP	6083		C00020	Adenosine monophosphate	UF_Caroline_Lab				
Arginine	6322		C00062	L-Arginine	UF_Caroline_Lab				
Asparagine	6267		C00152	L-Asparagine	UF_Caroline_Lab				
Aspartate	5960		C00049	L-Aspartic acid	UF_Caroline_Lab				
Dimethylamine	674		C00543	Dimethylamine	UF_Caroline_Lab				
Formate	284		C00058	Formic acid	UF_Caroline_Lab				
Fructose	5984		C02336	D-Fructose	UF_Caroline_Lab				
Fumarate	444972		C00122	Fumaric acid	UF_Caroline_Lab				
Glucose	5793		C00031	D-Glucose	UF_Caroline_Lab				
Glutamate	23327		C00217	D-Glutamic acid	UF_Caroline_Lab				
Glutamine	5961		C00064	L-Glutamine	UF_Caroline_Lab				
Glycine	750		C00037	Glycine	UF_Caroline_Lab				
Histidine	6274		C00135	L-Histidine	UF_Caroline_Lab				
Isoleucine	6306		C00407	L-Isoleucine	UF_Caroline_Lab				
Kynurenate	3845		C01717	Kynurenic acid	UF_Caroline_Lab				
Kynurenine	161166		C00328	L-Kynurenine	UF_Caroline_Lab				
Lactate	107689		C00186	L-Lactic acid	UF_Caroline_Lab				
?Leucine	6106		C00123	L-Leucine	UF_Caroline_Lab				
Lysine	5962		C00047	L-Lysine	UF_Caroline_Lab				
Malate	222656		C00711	Malic acid	UF_Caroline_Lab				
Maltose	439186		C00208	D-Maltose	UF_Caroline_Lab				
methionine sulfoxide	847		C02989	L-Methionine S-oxide	UF_Caroline_Lab				
NAD+	10897651		C00003	NAD	UF_Caroline_Lab				
O-Phosphocholine	135437		C00588	Phosphorylcholine	UF_Caroline_Lab				
Proline	145742		C00148	L-Proline	UF_Caroline_Lab				
Propionate	1032		C00163	Propionic acid	UF_Caroline_Lab				
Serine	5951		C00065	L-Serine	UF_Caroline_Lab				
ß-Alanine	239		C00099	Beta-Alanine	UF_Caroline_Lab				
Succinate	1110		C00042	Succinic acid	UF_Caroline_Lab				
Sucrose	5988		C00089	Sucrose	UF_Caroline_Lab				
Taurine	1123		C00245	Taurine	UF_Caroline_Lab				
Threonine	6288		C00188	L-Threonine	UF_Caroline_Lab				
Trehalose	7427		C01083	Trehalose	UF_Caroline_Lab				
Tyrosine	6057		C00082	L-Tyrosine	UF_Caroline_Lab				
Valine	6287		C00183	L-Valine	UF_Caroline_Lab				
METABOLITES_END
#END