#METABOLOMICS WORKBENCH huntermoseley_20180831_195709 DATATRACK_ID:1489 STUDY_ID:ST001044 ANALYSIS_ID:AN001708 PROJECT_ID:PR000700
VERSION             	1
CREATED_ON             	September 4, 2018, 11:37 am
#PROJECT
PR:PROJECT_TITLE                 	PGC1-A induces TCA enzymes
PR:PROJECT_SUMMARY               	Demonstrate the experimental protocol of stable isotope tracer based metabolomic
PR:PROJECT_SUMMARY               	investigation of cell metabolism
PR:INSTITUTE                     	Univ. of Alabama at Birmingham
PR:DEPARTMENT                    	Urology
PR:LAST_NAME                     	Sudarshan
PR:FIRST_NAME                    	Sunil
PR:ADDRESS                       	NA
PR:EMAIL                         	sudarshan@uab.edu
PR:PHONE                         	000-000-0000
#STUDY
ST:STUDY_TITLE                   	PGC1-A effect on TCA enzymes
ST:STUDY_TYPE                    	Tracer time course in medium
ST:STUDY_SUMMARY                 	13C6-glucose used to track the effects of PGC1-A on RCC4 and Caki-1 metabolism
ST:INSTITUTE                     	University of Alabama, Birmingham
ST:DEPARTMENT                    	Urology
ST:LAST_NAME                     	Sudarshan
ST:FIRST_NAME                    	Sunil
ST:ADDRESS                       	NA
ST:EMAIL                         	sudarshan@uab.edu
ST:PHONE                         	000-000-0000
#SUBJECT
SU:SUBJECT_TYPE                  	Animal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	10_Caki-1_adGFP_13CGlc_rep2-cells-polar_GCMS_A	cell_type:Caki-1 | protocol.id:adGFP_13CGlc	lineage_1=10_Caki-1_adGFP_13CGlc_rep2; cell_type=Caki-1; plate_media_tare=-1; plate_media_tare%units=g; protocol.id=adGFP_13CGlc; replicate=2; replicate%type=biological; species=Mus musculus; species_type=Animal; taxonomy_id=10090; lineage_2=10_Caki-1_adGFP_13CGlc_rep2-cells; cell_type=Caki-1; protocol.id=cell_quench_collection; lineage_3=10_Caki-1_adGFP_13CGlc_rep2-cells-polar_GCMS_A; protocol.id=polar_extraction; replicate=1; replicate%type=analytical; type=polar; weight=0.2187; weight%units=g
SUBJECT_SAMPLE_FACTORS           	-	11_Caki-1_adPGC1A_13CGlc_rep1-cells-polar_GCMS_A	cell_type:Caki-1 | protocol.id:adPGC1A_13CGlc	lineage_1=11_Caki-1_adPGC1A_13CGlc_rep1; cell_type=Caki-1; plate_media_tare=-1; plate_media_tare%units=g; protocol.id=adPGC1A_13CGlc; replicate=1; replicate%type=biological; species=Mus musculus; species_type=Animal; taxonomy_id=10090; lineage_2=11_Caki-1_adPGC1A_13CGlc_rep1-cells; cell_type=Caki-1; protocol.id=cell_quench_collection; lineage_3=11_Caki-1_adPGC1A_13CGlc_rep1-cells-polar_GCMS_A; protocol.id=polar_extraction; replicate=1; replicate%type=analytical; type=polar; weight=0.2178; weight%units=g
SUBJECT_SAMPLE_FACTORS           	-	12_Caki-1_adPGC1A_13CGlc_rep2-cells-polar_GCMS_A	cell_type:Caki-1 | protocol.id:adPGC1A_13CGlc	lineage_1=12_Caki-1_adPGC1A_13CGlc_rep2; cell_type=Caki-1; plate_media_tare=-1; plate_media_tare%units=g; protocol.id=adPGC1A_13CGlc; replicate=2; replicate%type=biological; species=Mus musculus; species_type=Animal; taxonomy_id=10090; lineage_2=12_Caki-1_adPGC1A_13CGlc_rep2-cells; cell_type=Caki-1; protocol.id=cell_quench_collection; lineage_3=12_Caki-1_adPGC1A_13CGlc_rep2-cells-polar_GCMS_A; protocol.id=polar_extraction; replicate=1; replicate%type=analytical; type=polar; weight=0.2149; weight%units=g
SUBJECT_SAMPLE_FACTORS           	-	3_RCC4_adGFP_13CGlc_rep1-cells-polar_GCMS_A	cell_type:RCC4 | protocol.id:adGFP_13CGlc	lineage_1=3_RCC4_adGFP_13CGlc_rep1; cell_type=RCC4; plate_media_tare=-1; plate_media_tare%units=g; protocol.id=adGFP_13CGlc; replicate=1; replicate%type=biological; species=Mus musculus; species_type=Animal; taxonomy_id=10090; lineage_2=3_RCC4_adGFP_13CGlc_rep1-cells; cell_type=RCC4; protocol.id=cell_quench_collection; lineage_3=3_RCC4_adGFP_13CGlc_rep1-cells-polar_GCMS_A; protocol.id=polar_extraction; replicate=1; replicate%type=analytical; type=polar; weight=0.227; weight%units=g
SUBJECT_SAMPLE_FACTORS           	-	4_RCC4_adGFP_13CGlc_rep2-cells-polar_GCMS_A	cell_type:RCC4 | protocol.id:adGFP_13CGlc	lineage_1=4_RCC4_adGFP_13CGlc_rep2; cell_type=RCC4; plate_media_tare=-1; plate_media_tare%units=g; protocol.id=adGFP_13CGlc; replicate=2; replicate%type=biological; species=Mus musculus; species_type=Animal; taxonomy_id=10090; lineage_2=4_RCC4_adGFP_13CGlc_rep2-cells; cell_type=RCC4; protocol.id=cell_quench_collection; lineage_3=4_RCC4_adGFP_13CGlc_rep2-cells-polar_GCMS_A; protocol.id=polar_extraction; replicate=1; replicate%type=analytical; type=polar; weight=0.2295; weight%units=g
SUBJECT_SAMPLE_FACTORS           	-	5_RCC4_adPGC1A_13CGlc_rep1-cells-polar_GCMS_A	cell_type:RCC4 | protocol.id:adPGC1A_13CGlc	lineage_1=5_RCC4_adPGC1A_13CGlc_rep1; cell_type=RCC4; plate_media_tare=-1; plate_media_tare%units=g; protocol.id=adPGC1A_13CGlc; replicate=1; replicate%type=biological; species=Mus musculus; species_type=Animal; taxonomy_id=10090; lineage_2=5_RCC4_adPGC1A_13CGlc_rep1-cells; cell_type=RCC4; protocol.id=cell_quench_collection; lineage_3=5_RCC4_adPGC1A_13CGlc_rep1-cells-polar_GCMS_A; protocol.id=polar_extraction; replicate=1; replicate%type=analytical; type=polar; weight=0.2317; weight%units=g
SUBJECT_SAMPLE_FACTORS           	-	6_RCC4_adPGC1A_13CGlc_rep2-cells-polar_GCMS_A	cell_type:RCC4 | protocol.id:adPGC1A_13CGlc	lineage_1=6_RCC4_adPGC1A_13CGlc_rep2; cell_type=RCC4; plate_media_tare=-1; plate_media_tare%units=g; protocol.id=adPGC1A_13CGlc; replicate=2; replicate%type=biological; species=Mus musculus; species_type=Animal; taxonomy_id=10090; lineage_2=6_RCC4_adPGC1A_13CGlc_rep2-cells; cell_type=RCC4; protocol.id=cell_quench_collection; lineage_3=6_RCC4_adPGC1A_13CGlc_rep2-cells-polar_GCMS_A; protocol.id=polar_extraction; replicate=1; replicate%type=analytical; type=polar; weight=0.2302; weight%units=g
SUBJECT_SAMPLE_FACTORS           	-	9_Caki-1_adGFP_13CGlc_rep1-cells-polar_GCMS_A	cell_type:Caki-1 | protocol.id:adGFP_13CGlc	lineage_1=9_Caki-1_adGFP_13CGlc_rep1; cell_type=Caki-1; plate_media_tare=-1; plate_media_tare%units=g; protocol.id=adGFP_13CGlc; replicate=1; replicate%type=biological; species=Mus musculus; species_type=Animal; taxonomy_id=10090; lineage_2=9_Caki-1_adGFP_13CGlc_rep1-cells; cell_type=Caki-1; protocol.id=cell_quench_collection; lineage_3=9_Caki-1_adGFP_13CGlc_rep1-cells-polar_GCMS_A; protocol.id=polar_extraction; replicate=1; replicate%type=analytical; type=polar; weight=0.23; weight%units=g
#COLLECTION
CO:COLLECTION_SUMMARY            	Collection and quench of cells in tissue culture Media is extracted from plate.
CO:COLLECTION_PROTOCOL_ID        	cell_quench_collection cells_media
CO:COLLECTION_PROTOCOL_FILENAME  	WS_Fan_Quench_cell_tissue.pdf
CO:SAMPLE_TYPE                   	Cultured cells
#TREATMENT
TR:TREATMENT_SUMMARY             	Grown in unlabeled glucose and infected with adGFP. Grown in labeled glucose and
TR:TREATMENT_SUMMARY             	infected with adGFP. Grown in unlabeled glucose and infected with adPGC1A. Grown
TR:TREATMENT_SUMMARY             	in labeled glucose and infected with adPGC1A.
TR:TREATMENT_PROTOCOL_ID         	adGFP_12CGlc adGFP_13CGlc adPGC1A_12CGlc adPGC1A_13CGlc
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Lipid extraction from cells. Polar extraction from cells. Protein extraction and
SP:SAMPLEPREP_SUMMARY            	quantification.
SP:SAMPLEPREP_PROTOCOL_ID        	lipid_extraction polar_extraction protein_extraction
SP:SAMPLEPREP_PROTOCOL_FILENAME  	WS_Fan_Extract_Polar_Lipid_Prot.pdf;WS_Fan_Prot_Quant.pdf
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Targeted GC
CH:CHROMATOGRAPHY_TYPE           	GC
CH:INSTRUMENT_NAME               	GC-EI-MS, Thermo ITQ
CH:COLUMN_NAME                   	SGE 0.15 mm i.d. x 50 m fused silica open-tubular column, coated with 0.25 µm BPX-5 (5% phenylmethyl- phenylsiloxane)
CH:COLUMN_NAME                   	BPX-5 (5% phenylmethyl- phenylsiloxane)
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo ITQ
MS:INSTRUMENT_TYPE               	GC-ITQ
MS:MS_TYPE                       	EI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	GCMS Analytical Experiment with detection of compounds by comparison to
MS:MS_COMMENTS                   	standards. Derivitization is done with MTBSTFA
MS:MS_COMMENTS                   	(N-methyl-N-[tert-butyldimethylsilyl]trifluoroacetamide).
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	normalized peak area
MS_METABOLITE_DATA_START
Samples	10_Caki-1_adGFP_13CGlc_rep2-cells-polar_GCMS_A	11_Caki-1_adPGC1A_13CGlc_rep1-cells-polar_GCMS_A	12_Caki-1_adPGC1A_13CGlc_rep2-cells-polar_GCMS_A	3_RCC4_adGFP_13CGlc_rep1-cells-polar_GCMS_A	4_RCC4_adGFP_13CGlc_rep2-cells-polar_GCMS_A	5_RCC4_adPGC1A_13CGlc_rep1-cells-polar_GCMS_A	6_RCC4_adPGC1A_13CGlc_rep2-cells-polar_GCMS_A	9_Caki-1_adGFP_13CGlc_rep1-cells-polar_GCMS_A
Factors	cell_type:Caki-1 | protocol.id:adGFP_13CGlc	cell_type:Caki-1 | protocol.id:adPGC1A_13CGlc	cell_type:Caki-1 | protocol.id:adPGC1A_13CGlc	cell_type:RCC4 | protocol.id:adGFP_13CGlc	cell_type:RCC4 | protocol.id:adGFP_13CGlc	cell_type:RCC4 | protocol.id:adPGC1A_13CGlc	cell_type:RCC4 | protocol.id:adPGC1A_13CGlc	cell_type:Caki-1 | protocol.id:adGFP_13CGlc
Ala-13C0	6.4241897825466925	7.8984270757927995	6.477316580437009	2.606917612615109	2.732416528959684	3.8906340687749443	3.4772305246282134	6.100082394400357
Ala-13C1	0.5415827848124741	0.5052095885206913	0.4013179790110141	0.07271960083128713	0.17115011688621878	0.26834066137804624	0.17142532181227485	0.3321264297940224
Ala-13C2	0.5481474487242058	0.8555650402577313	0.6604617654147859	0.20206167288490154	0.24876109072182162	0.510354490949757	0.3328981764180146	0.5745610421486419
Ala-13C3	7.071030370347523	9.391343353938804	8.503726311322726	1.2315921845199949	1.3012762865580982	2.0189998407601433	1.8366556948717396	6.696928163785559
Ala-ALL	14.584950386430895	18.650545058510026	16.042822636185534	4.113291070851293	4.4536040231258225	6.68832906186289	5.818209717730243	13.703698030128582
Arg-13C0	3.505529135957547	2.2474615951404275	3.451258443992942	8.752813466570425	10.793528680847086	9.856335019614388	7.309463946820814	3.7556172992241352
Arg-13C1	1.174582637600387	0.8022578815379406	1.5225215256790112	4.377409610675915	3.244813222223054	3.7312286016530067	2.5566195151104596	1.0694695175332167
Arg-13C2	0.04095235031058458	0.13184586585958774	0.05999809320207791	0.2859380816782349	0.14865559019309812	0.1963506708953054	0	0.1286677876427191
Arg-13C3	0	0	0	0.6350448065421972	0.29032729791652867	0.23164103160302657	0.0865685493371539	0
Arg-13C4	0	0.07702497352632288	0.23070018711750856	0	0	0.06127066722781767	0.18494867243197938	0.1270579597610428
Arg-13C5	0.033587810486157964	0	0.008726476897332056	0	0.0052173577419808576	0	0	0.016279921459258842
Arg-13C6	0.04423553599118488	0	0.0003658332735852013	0.02683389175180624	0.1789124619539947	0.015707774763382767	0	0.010393618199038345
Arg-ALL	4.798887470345862	3.258590316064279	5.273570560162458	14.07803985721858	14.661454610875742	14.092533765756928	10.137600683700406	5.1074861038194115
Asn-13C0	0	0	0	0.5054186396064334	0.19646258900335625	0.4166992123451204	0.08753585975778568	0
Asn-13C1	0	0	0	0.09392881669769325	0	0.05050865995998671	0.02265148142732979	0
Asn-13C2	0	0	0	0.0598456724002138	0.009929331586579679	0.07226456607203673	0.07248058761723968	0
Asn-13C3	0	0	0	0.10661198498562693	0.011095216632778147	0.0376450522415922	0.000760307171695659	0
Asn-13C4	0	0	0	0.010541882903527543	0.00390276845103775	0	0	0
Asn-ALL	0	0	0	0.7763469965934949	0.22138990567375186	0.5771174906187361	0.1834282359740508	0
Asp-13C0	2.844540414959296	1.1779692894391756	1.8265203750158405	8.819732977480182	9.037803921860162	8.535316967690699	6.4056996048979915	2.271122392362369
Asp-13C1	0.6000375489314064	0.37022871941264124	0.4267005222766708	1.895916974234645	1.9759981151619679	2.347081363392022	1.5987903613567076	0.4643755892373683
Asp-13C2	1.0932484299798622	0.6691088441596066	0.9580439713394864	3.5098190437067815	3.499799149783983	2.9543880365283663	2.2801682748270156	1.0932987171533624
Asp-13C3	0.6214686609640341	0.38228725059911584	0.5003969198283916	1.9604145002972693	1.7205431805408886	2.019467889582305	1.7807076418289476	0.33286410474304906
Asp-13C4	0.08059239606702685	0.10270036678780248	0.16761940548546053	0.3525766632658911	0.5735789125662182	0.46919734173493305	0.38499896927218574	0.10036914222199844
Asp-ALL	5.239887450901625	2.702294470398342	3.8792811939458494	16.53846015898477	16.807723279913223	16.325451598928325	12.450364852182847	4.2620299457181465
Cys-13C0	0	0	0	0	0	0	0	0
Cys-13C1	0	0	0	0	0	0	0	0
Cys-13C2	0	0	0	0	0	0	0	0
Cys-13C3	0	0	0	0	0	0	0	0
Cys-ALL	0	0	0	0	0	0	0	0
GAB-13C0	0.8774974542469792	0.7108764960273364	1.043419460399405	0.25618947544460424	0.6489836784347504	0.4470376153854258	0.4163123934960861	1.2867178697938066
GAB-13C1	0.09189230640525238	0.11643402163594971	0.0649696627329931	0.06774102643177426	0.0897027016163429	0.1416710727499081	0.026395843624956505	0.09226995010376213
GAB-13C2	0.0013524493795698737	0	0.036407716257856194	0	0	0.001952066648146779	1.767312434585429e-05	0.06005550479398978
GAB-13C3	0.015088010072226552	0.01300240878284364	0.028513470293165883	0.014271301499187195	0.004946911087520955	0.03266256085026209	0.04617595801020998	0
GAB-13C4	0.04647934378557484	0.021495826585920683	0.016195815085865442	0.026441314155582162	0.03284935671505774	0.047115900793263936	0	0.01562963840405879
GAB-ALL	1.032309563889603	0.8618087530320504	1.1895061247692855	0.36464311753114786	0.7764826478536719	0.6704392164270065	0.48890186825559845	1.4546729630956172
Gln-13C0	0	0	0.15150554760977777	266.3375333897749	308.29908739089456	332.3811021875823	203.06731645789765	0.14736128533911422
Gln-13C1	0	0	0.18399750205653906	19.575354012494124	17.583587149122184	22.601119859617587	13.417491842212836	0.020972139856083077
Gln-13C2	0	0	0	5.970586988946018	11.032789443832455	10.057783297628752	5.427079314140976	0.03926515528060838
Gln-13C3	0	0	0.08774343722927268	3.7251059910285704	2.0909752019574155	1.729069052632655	1.3836555697671258	0
Gln-13C4	0	0	0	0.15283786105689673	0.7571574310978819	1.7253517420903504	2.0044418829971504	0
Gln-13C5	0	0	0.08173031917103202	0.7379603538780631	1.1199901308070794	0.7438883782135941	0.7105679388323711	0.14148039354804162
Gln-ALL	0	0	0.5049768060666215	296.4993785971786	340.88358674771155	369.2383145177653	226.0105530058481	0.34907897402384724
Glu-13C0	61.69263549408798	40.58472864863848	44.24194990902047	125.82596806842928	114.44438565626956	132.073388047629	109.8801355406134	58.51308977946178
Glu-13C1	14.023642557730982	11.881616141257618	12.635812498673285	24.624519554114347	22.269430987862233	30.42703978574028	24.11655614218638	13.551149207312996
Glu-13C2	37.427184171856794	29.03468090663991	35.06974468212436	62.658435411225646	57.20113147005486	69.19310656746704	59.345854903606174	37.502433801032176
Glu-13C3	15.260352499650299	16.57099271847665	15.323877837649285	24.486538809327445	21.799716415418953	28.80928337945665	22.73385682628452	15.36034345222309
Glu-13C4	10.146745366819143	11.412761716406333	11.808712251947314	15.895411684553771	15.754212537261068	16.726931023949017	15.527956351374444	10.836989786589017
Glu-13C5	2.7776612039182407	4.1339889118569975	5.4909398594441035	5.3106800633201106	4.769180553677118	5.736307111329126	6.4190457148163365	3.6574956372021843
Glu-ALL	141.32822129406344	113.61876904327599	124.57103703885882	258.80155359097057	236.23805762054377	282.96605591557113	238.02340547888127	139.42150166382123
Gly-13C0	28.632921413757938	26.8565809573345	26.583192348411327	6.773990170371663	8.73319243025593	7.056811796180525	6.082620465739552	26.159351813855263
Gly-13C1	1.0016922604905278	0.5910048269929925	1.187899252729677	0.17218942146443875	0.10335060126357139	0.15547726173021245	0.21186796289714097	0.9427460927798673
Gly-13C2	3.5055211679157625	2.7846248389699815	2.767660585125859	0.06762506787973083	0.1044948665109249	0	0.10026575681522451	3.4859473196422686
Gly-ALL	33.14013484216423	30.232210623297476	30.538752186266862	7.013804659715833	8.941037898030425	7.212289057910737	6.394754185451918	30.588045226277398
His-13C0	0	0	0	0	0	0	0	0
His-13C1	0	0	0	0	0	0	0	0
His-13C2	0	0	0	0	0	0	0	0
His-13C3	0	0	0	0	0	0	0	0
His-13C4	0	0	0	0	0	0	0	0
His-13C5	0	0	0	0	0	0	0	0
His-13C6	0	0	0	0	0	0	0	0
His-ALL	0	0	0	0	0	0	0	0
Ile-13C0	22.381410788508937	23.589720000524608	22.42265770099172	10.583609067724334	11.111363519040202	13.945542357234087	11.892142931829676	19.79980362572641
Ile-13C1	1.6566510502331782	1.8952631298495362	1.7273121149518402	1.0206990610203823	0.7028279931768139	0.7590546559620936	0.790707936002473	2.167597539373306
Ile-13C2	0.20510656705681882	0.16761692437194747	0.27342994890812167	0.025549217078801457	0.15668301620737973	0.28070804402839583	0.2958847579643366	0.3051473886706259
Ile-13C3	0.19438869493612396	0.0543521720088034	0.060081968573868175	0.007781620668806561	0.001972388866173548	0	0	0
Ile-13C4	0	0.008466531798418098	0.026468811004450924	0.007036752452661601	0.016104456816520785	0	0.022634066458942812	0
Ile-13C5	0.017768426709398374	0.04947339826145996	0	0.03391770981338948	0.01441988412096817	0.04016465379429046	5.617949501728962e-05	0.018406766865314988
Ile-13C6	0.0350438139476334	0.017229519563570907	0.003802142881317502	0.003865957147458332	0.019617785405753447	0.032310905321856154	0	0.03615721153698307
Ile-ALL	24.490369341392093	25.782121676378345	24.513752687311317	11.682459385905831	12.022989043633812	15.057780616340724	13.001425871750445	22.32711253217264
Isocitrate-13C0	0	0	0.07907115112856704	0	0	0	0	0
Isocitrate-13C1	0	0	0	0	0	0	0	0
Isocitrate-13C2	0	0	0	0	0	0	0	0
Isocitrate-13C3	0	0	0	0	0	0	0	0
Isocitrate-13C4	0	0	0	0	0	0	0	0
Isocitrate-13C5	0	0	0	0	0	0	0	0
Isocitrate-13C6	0	0	0.03350634808445214	0	0	0	0	0
Isocitrate-ALL	0	0	0.11257749921301918	0	0	0	0	0
Itaconate-13C0	0.022241895359461732	0.02729988099055179	0.034948891901552995	0.010371413596682194	0.008269923053663508	0.05283423035333263	0.009683038406276852	0.03777538599782734
Itaconate-13C1	0.019671071217197657	0.01254926501219689	0.053266110647475176	0.03292955142324625	0.02027525342952924	0.017198926606696165	0.02491328958723681	0.04122613136156069
Itaconate-13C2	0.012771046687808285	0.004909814312478597	0	0.027833500034031938	0.010771326216063607	0.012539810058902577	0.00782899179813377	0.001128132878740538
Itaconate-13C3	0.019804331804757047	0.04312784098090638	0.02373431469978498	0.014339393603431087	0.020999411026048333	0.015600916518527207	0.021308454830602532	0.04578566366019623
Itaconate-13C4	0.015848650489359038	0.10264490922285463	0.1854335201228581	0.06824133466264282	0.019884594306756143	0.06803278259853232	0.02096105290043537	0.01796754284153007
Itaconate-ALL	0.09033699555858377	0.1905317105189883	0.29738283737167126	0.1537151933200343	0.08020050803206083	0.1662066661359909	0.08469482752268534	0.14388285673985488
Kynurenic_acid-13C0	0.039950390042758056	0.028113063293454907	0.03331009560468932	0.008497590293452656	0.013594246002981201	0.010587869911124315	0.007360156815254449	0.032229607346865086
Kynurenic_acid-13C1	0.01724800845198077	0.01904407531516333	0.0022276877716871104	0	0.000915273043627623	0	0.0027380360494102165	0.011203979251848744
Kynurenic_acid-13C10	0.0015950388313824458	0	0.01731005105825364	0.013140996365550488	0.003627468295237944	0	0.012758157217862753	0.003268846327695282
Kynurenic_acid-13C2	0	0	0.005512762417663975	0.009165595801024858	0.006097538162304635	0.021328256137363336	0.01596137883800515	0
Kynurenic_acid-13C3	0.0038919428183419734	0.0030223678362414396	0.004399003879039864	0.008991493104865632	0	0.010853172025750653	0.0036444916904833824	0.0028723384120459745
Kynurenic_acid-13C4	0.01395144620591531	0	0.006451333775978623	0.002446958030344902	0	0.007743819200760411	0.005301461096074279	0.004506818971417649
Kynurenic_acid-13C5	0.004649626291397246	0	0.008972031299784387	0.02754643293825707	0.018817681477466968	0.030015796304191714	0.012430511294640942	0.012494958257703364
Kynurenic_acid-13C6	0.013756833155824488	0	0.0049507861147341115	0.007117028933015657	0.0011583997897757963	0.005218060184264901	0.0021399551027248137	0.012809143924330968
Kynurenic_acid-13C7	0	0.013154280947689882	0.0036031379834622996	0.01398930455847275	0.004123595650364357	0.029614700547716814	0.009211851955055923	0.008402094847299613
Kynurenic_acid-13C8	0.009962473187416072	0.009270493753767352	0.004904154230023162	0.007292680042316967	0	0.018125324617920366	0.0029248049474300147	0.012178750868997097
Kynurenic_acid-13C9	0.024263965493134015	0.019072578343800033	0.056391577575991725	0.015470148192804024	0.019380746547714392	0.009264073533954979	0.007258957085905141	0.011447614504888225
Kynurenic_acid-ALL	0	0	0	0	0	0	0	0
Kynurenine-13C0	0	0	0	0	0	0	0	0
Kynurenine-13C1	0	0	0	0	0	0	0	0
Kynurenine-13C2	0	0	0	0	0	0	0	0
Kynurenine-13C3	0	0	0	0	0	0	0	0
Kynurenine-13C4	0	0	0	0	0	0	0	0
Kynurenine-13C5	0	0	0	0	0	0	0	0
Kynurenine-13C6	0	0	0	0	0	0	0	0
Kynurenine-13C7	0	0	0	0	0	0	0	0
Kynurenine-13C8	0	0	0	0	0	0	0	0
Kynurenine-ALL	0	0	0	0	0	0	0	0
Leu-13C0	23.20509173183813	22.252241360172643	21.457830386538102	10.34965780324084	10.443175033982236	13.062478191211548	10.657075299966246	20.12767731302189
Leu-13C1	1.9091643433061642	1.0970115555133297	1.4217793788582658	1.1825368310318762	0.8938310162364682	1.206886175328573	1.0823380901790418	1.5074447922719705
Leu-13C2	0.16129023331447057	0.2170345591841399	0.09829829502100919	0	0.23954708484356385	0.036846540588335634	0.140305489059793	0.24500752577709115
Leu-13C3	0.18025431974971484	0.010835847201056894	0.07560549962434628	0.014599496949054156	0	0.032135358875266216	0.12143505695659597	0.1712039716554551
Leu-13C4	0.047362638900827626	0.00578771386759231	0	0.037029367513151834	0	0.009355114120935676	0	0
Leu-13C5	0	0.06536155965656906	0.026141526902585786	0	0	0.005864857438839672	0.016113523607784605	0
Leu-13C6	0	0.0056997580238184195	0.10864113969480471	0.04058061070013741	0.013150528779760274	0.0286427611723525	0	0.02373681083617809
Leu-ALL	25.503163267109308	23.65397235361915	23.18829622663911	11.62440410943506	11.589703663842029	14.38220899873585	12.017267459769462	22.075070413562585
Lys-13C0	0.014716626923097534	0.006190975991086919	0.012726116562476533	0.45931766237949273	0.3518938338895389	0.46398182188105186	0.35344471903403424	0.007075832226275825
Lys-13C1	0.0025502595258176126	0.0026057469071169783	0.00705802378640743	0	0.04835147343673745	0.06708963474080253	0.04189974246796732	0.007683587673893441
Lys-13C2	0.001453186699954053	0.0028814460649207235	0	0.022358517783540414	0.0274589121114633	0	0.00499052602431447	0
Lys-13C3	0	0.006426300964971275	0.0022425731922200943	0.0029127497323271074	0	0.002240851058902364	0.005578848259297415	0
Lys-13C4	0.007313898522851826	0	0	0.0016251744877398616	0	0.005667771560707041	0.00013976840935078666	0
Lys-13C5	0	0	0	0.010733813729543514	0.003094437175538937	0	0	0
Lys-13C6	0	0	0	0.0006126862938450652	0.0052416165395026675	0.01218507151751462	0.0033633384781011125	0.004145205623855278
Lys-ALL	0.026033971671721026	0.018104469928095897	0.022026713541104057	0.4975606044064887	0.4360402731527812	0.5511651507589784	0.40941694267306533	0.018904625524024544
Malate-13C0	0.03006324502557714	0	0	8.183851486708534	4.3705493750963695	5.644511971242502	2.5704316551894286	0.0311650534904545
Malate-13C1	0	0	0	1.7128067145539598	1.2620893154263206	1.6441994449349198	0.4452219508157674	0.007564125451324622
Malate-13C2	0	0	0	3.647184874162032	1.527220345120646	2.8426934539779025	1.264267938502097	0
Malate-13C3	0	0	0	1.6235019747055324	1.2335374728558415	1.3445455654450438	0.6828327582206749	0
Malate-13C4	0	0	0	0.6480537553331372	0.13473728416308464	0.5174570925601737	0.13956379629997617	0
Malate-ALL	0.03006324502557714	0	0	15.815398805463197	8.528133792662263	11.99340752816054	5.102318099027944	0.03872917894177912
Met-13C0	1.8344517747567726	1.8343134292124343	1.9893439818644185	0.7679251624590441	0.6785017523434248	0.8759285091930037	0.7389717042123296	1.7660114910004427
Met-13C1	0.1478246036148515	0.0788687654011665	0.1281377809538357	0.04384641344443671	0.07376476360716297	0.05883142140590744	0.10544631086145372	0.06531697183410032
Met-13C2	0.10435022333428302	0.16385665980570074	0.05060998886164774	0.047061579983911986	0.07829301535323972	0.10411992048873471	0.06377889234669498	0.07105214051162756
Met-13C3	0.017130836687402323	0.04647454428799782	0.015646107850978728	7.696140599741788e-05	0.018575695903714644	0.024448191824745696	0.0035888965111303063	0.02449539414759466
Met-13C4	0.07251556302306462	0.06652589181531031	0.12674584023817972	0.08296173800299833	0.0960641423180745	0.13670951702500728	0.06551864003834221	0.06388115098126229
Met-13C5	0.03584486454377616	0.013606662198651438	0.019616084225262804	0	0	0	0.00475911606434712	0.02939780555405181
Met-ALL	2.2121178659601504	2.203645952721261	2.330099783994323	0.9418718552963886	0.9451993695256167	1.2000375599373987	0.9820635600342978	2.0201549540290795
N-Ace-Asp-13C0	0.004855162882956955	0.007603623220216473	0	0	0	0	0	0
N-Ace-Asp-13C1	0	0.004736546382033127	0	0	0	0	0	0
N-Ace-Asp-13C2	0	0.0008728045388239562	0	0	0	0	0	0
N-Ace-Asp-13C3	0.007373043039777277	0	0	0	0	0	0	0
N-Ace-Asp-13C4	0	0	0	0	0	0	0	0
N-Ace-Asp-13C5	0	0	0	0	0	0	0	0
N-Ace-Asp-13C6	0	0	0	0	0	0	0	0
N-Ace-Asp-ALL	0.012228205922734232	0.013212974141073554	0	0	0	0	0	0
OHPro-13C0	0.940511803805175	1.0217649649385234	1.0329450275823233	0.3477714639586111	0.27662047113957977	0.40508850452192935	0.35608967472372594	0.8589899518835976
OHPro-13C1	0.04510768521131068	0.07748997322268567	0.05218431797483306	0.02551113080545511	0.0633525095820925	0.023429270966498408	0.016805878276831786	0.08535605598943724
OHPro-13C2	0.008317546874879692	0.020438280939960154	0.05458926583302697	0.051265660999306795	0.03373162767591245	0.048287210192070454	0.022006125464133785	0.04694027228597787
OHPro-13C3	0.027092923476578087	0.006572927880409001	0	0	0.0048269570614865726	0.007566878767109043	0.029663444850705458	0
OHPro-13C4	0.005354427919666147	0.005470959842040084	0.009617062478546823	0	0	0	0	0
OHPro-13C5	0	0	0.001226869207001403	0.0026568207740918833	0.0015949758562726906	0.0009326522760029356	0	0
OHPro-ALL	1.0263843872876097	1.1317371068236184	1.1505625430757316	0.42720507653746487	0.38012654131534396	0.48530451672361014	0.4245651233153969	0.9912862801590127
Orn-13C0	5.330812686205289	3.71278768022381	3.6278178507782814	10.855689009887675	9.950709829627161	11.27151787214806	8.648366549448815	5.757003565695237
Orn-13C1	1.047154791767797	0.40485685260546117	1.7045735431099462	1.2017698863059807	1.9790945107040918	2.4404792460584415	2.657441232128243	0.8028328494370517
Orn-13C2	2.67017842866742	3.1755237320280445	2.9190419560708	4.498068694099338	4.036648673215592	5.554154525397898	5.1975010655098535	2.577634850755823
Orn-13C3	1.1270632146473194	1.2774267374296233	1.3414236372858208	2.224495174274937	1.9917198790738044	2.054626501730457	1.2155717675727042	1.6116187629427048
Orn-13C4	1.3654144623212796	1.0473476581745522	0.6461327789084876	1.5575014117236365	0.6844341653862231	1.7059714605234981	2.02576888318002	1.0525449736885033
Orn-13C5	0.12410002408514666	0.32984969565581795	0.6025326337253324	0	0.26472206242592705	0	0	0
Orn-ALL	11.664723607694253	9.94779235611731	10.841522399878668	20.337524176291566	18.907329120432802	23.026749605858353	19.744649497839635	11.80163500251932
Phe-13C0	16.054991720281755	15.422205118090911	16.318641623911102	6.387042007827729	6.879796866192592	8.560989804788383	7.6160201614098515	14.901755278159577
Phe-13C1	1.785193127031414	2.280313630247674	2.24124339944302	1.0797280692211149	0.9798481698803063	0.7492223107929843	0.6560843408508211	1.484228336941065
Phe-13C2	0.26715208275824626	0.011873006870392961	0	0.05602000650226777	0.09754192151310204	0.1373870960333493	0.09925350118682302	0.3125441677467373
Phe-13C3	0.11923531945006169	0.19050794044805505	0.1335957167218183	0.13218787035759888	0.07408050801630975	0	0.08063594071358283	0.004453283062015376
Phe-13C4	0.02130194100520036	0.052257775951003546	0.07088880457564446	0	0	0.006312300688887061	0	0
Phe-13C5	0.7123190869466469	0.6558688006391432	0.15424649791322617	0.05969006129247716	0.022562372188317217	0.14152437719075947	0.09355535171038822	0.5551188432335928
Phe-13C6	0	0	0.07145327087057615	0.11526460620900737	0.03797283446233711	0.004053197462615296	0.016376997298963757	0
Phe-13C7	0.029064610713710946	0.05521066817712212	0.03776070798059762	0	0.03271262617019949	0	0.03900907652547495	0
Phe-13C8	0.08148035987209551	0.06387236074616247	0.05414208943721166	0.012346401859636787	0.03289083731347032	0.027771483974021356	0.013513897197765985	0.0752590938464004
Phe-13C9	0	0.015897603344556283	0.09037372073700527	0.032653139754133316	0.028152905733818703	0.05988134996740881	0.02745169717182377	0.0230538530030594
Phe-ALL	19.070738248059133	18.748006904515016	19.172345831590203	7.874932163023965	8.185559041470453	9.687141920898407	8.641900964065497	17.35641285599245
Pro-13C0	8.751810200216337	8.519691602333094	8.42207616774452	2.12480669858493	2.0428708244472946	1.8746716298679835	1.6873636933884189	8.393457211154383
Pro-13C1	1.0830380667903845	0.9073504115899541	0.6946625818358528	0.3236627169176912	0.35289444511025875	0.3103569801459963	0.19749614527990633	1.0326242854390681
Pro-13C2	1.8420155678669492	1.7204232511080122	1.823225052992425	0.45331684311156784	0.6337741164564324	0.544210851415159	0.504228700797984	2.1106148586721263
Pro-13C3	0.7105619628508436	0.9891886823909168	0.7006070218264584	0.15640940265141698	0.19265566749767157	0.2345671650347816	0.1912472242355339	0.8550470236777484
Pro-13C4	0.4715727689371904	0.7151013456581873	0.6822967128585758	0.14818169288950206	0.19475256437962424	0.1594224536525902	0.12426583304996053	0.34135058776405003
Pro-13C5	0.11759757033571304	0.09609685242463512	0.23135458896655664	0.04656456207512153	0.042982403171134796	0.04613109014546149	0.052138462533638165	0.12109373880041746
Pro-ALL	12.976596136997417	12.9478521455048	12.55422212622439	3.2529419162302293	3.4599300210624166	3.1693601702619723	2.7567400592854416	12.854187705507792
Ser-13C0	4.181398592462283	4.245002670876063	4.348559630140014	1.688676617236228	1.963282825388124	2.0210268034358863	1.9698966231845059	3.8246797215243795
Ser-13C1	0.6566247594593644	0.6056052561666571	0.6892355464882015	0.02627442956468377	0.034170810930205964	0.050849908335972305	0.14039583344051257	0.6597854196123326
Ser-13C2	0.4082354112012918	0.301250276684884	0.4661909246851556	0.03214052637509096	0.00767516861920534	0.0964629371972828	0.0029757313135406176	0.3560922659737977
Ser-13C3	0.5125823762370023	0.3888739040051064	0.38449829699723675	0.018878304850327054	0.014067761185960237	0.00708632424693433	0.006123108534232093	0.40172359571272026
Ser-ALL	5.758841139359943	5.540732107732711	5.888484398310607	1.7659698780263298	2.0191965661234956	2.1754259732160754	2.119391296472791	5.242281002823231
Succinate-13C0	4.547023248420243	3.8361366850393686	4.120549726291443	5.924910338973729	5.1978016116667956	7.615194110499301	3.9175059187106673	4.469545578278993
Succinate-13C1	1.7635388481793872	2.0965822641546255	1.7570139108164393	0.9187456918251419	0.9243336786903211	1.4820440171390137	0.595818468667149	2.2594147890037743
Succinate-13C2	1.5089429993346561	1.0034994593883444	1.3775557359191957	0.8014634490906177	1.3380509429646694	1.2175360996789124	0.9130756517614241	1.164732232478569
Succinate-13C3	0.6260451787406582	0.3416385696725793	0.5808181115425834	0.5012640383443523	0.38879100033788216	0.7262504202226767	0.1615386221310515	0.9340149853671775
Succinate-13C4	0.24561631520100535	0.2854682169559523	0.33829508778087025	0.2013761169930924	0.3241010661423685	0.06614598572365686	0.17834267269929494	0.5488143731910698
Succinate-ALL	8.69116658987595	7.5633251952108695	8.174232572350531	8.347759635226932	8.173078299802036	11.10717063326356	5.766281333969587	9.376521958319582
Thr-13C0	70.46033375803881	81.86127121683903	74.35251836518425	25.809256460372815	27.45772134258969	33.350004314056505	29.54552545295397	64.03077159117181
Thr-13C1	3.1091806717730113	3.163311344206833	4.500819720483824	1.7615938081057954	1.881588051371831	1.7793594320795372	0.5502414952918575	3.505026871561821
Thr-13C2	0.9572480749375902	0.11061893243193989	0	0	0	0.46915822150657294	0.4036297391460384	0.34325352039211054
Thr-13C3	0	0	0	0	0	0.07236025590116181	0	0
Thr-13C4	0	0.02036361074979938	0.1022011900027917	0	0.07881257763268606	0	0.022357399962534098	0
Thr-ALL	74.52676250474943	85.15556510422759	78.95553927567086	27.570850268478612	29.418121971594207	35.67088222354378	30.5217540873544	67.87905198312575
Trp-13C0	0	0	0	0	0	0	0	0
Trp-13C1	0	0	0	0	0	0	0	0
Trp-13C10	0	0	0	0	0	0	0	0
Trp-13C11	0	0	0	0	0	0	0	0
Trp-13C2	0	0	0	0	0	0	0	0
Trp-13C3	0	0	0	0	0	0	0	0
Trp-13C4	0	0	0	0	0	0	0	0
Trp-13C5	0	0	0	0	0	0	0	0
Trp-13C6	0	0	0	0	0	0	0	0
Trp-13C7	0	0	0	0	0	0	0	0
Trp-13C8	0	0	0	0	0	0	0	0
Trp-13C9	0	0	0	0	0	0	0	0
Trp-ALL	0	0	0	0	0	0	0	0
Tyr-13C0	4.801007519822977	4.0945084216859025	4.795256806695602	2.106923241366564	2.4119495130372677	2.608576541621458	2.1267598735650215	4.519903430689307
Tyr-13C1	0.47402612281779716	0.4696169148602224	0.5195642142980256	0.2565551336423312	0.18938790794928656	0.30222411373799346	0.15567923782409576	0.42426084546303544
Tyr-13C2	0.005988383385510845	0.020738115906979368	0.0348770020431065	0.05766700164675411	0.025064872450591722	0.02763159250271296	0.01495346824335586	0.0920478185490419
Tyr-13C3	0.05357908916745818	0.03289657193975037	0.03153825299810301	0	0.019037479599858038	0	0.014270274852013149	0.0027463529900812462
Tyr-13C4	0	0	0	0.0012213044254090982	0.025919019999027477	0.0039964021333653305	0.01575432411061098	0
Tyr-13C5	0.0054308296664397045	0.005301845822816293	0	0	0.010159432515039184	0.004887387458144303	0.006728903911819899	0
Tyr-13C6	0	0.0023912299561800543	0.006201876020573801	0.003466034627397656	0	0.003489440605639962	0.0008191385982198473	0.0027750754639507802
Tyr-13C7	0.0002957806421432132	0.0004911438773423199	0.001276886928784508	0.0007652210881098918	0.0009051800492039206	0.0009086688573610322	0.0005729866435078507	0.0003808844972989547
Tyr-13C8	0.008765630679910201	0.004117840680534733	0.0024627400614448476	0.00624966799555704	0	0.005981607800899357	0	0.008222894348385164
Tyr-13C9	0.009418851178796595	0.013498299755370096	0.023629415798582538	0.013860159229210293	0.006122685637559967	0.012441662164332285	0.002959162132181897	0.028854522994199494
Tyr-ALL	5.358512207361034	4.643560384485099	5.414807194844223	2.4467077640213337	2.6885460912378343	2.9701374168819066	2.3384973698808267	5.0791918249953
Val-13C0	4.14649603351939	4.196303367343201	4.038908811323453	1.8402785049817996	1.8913052324564095	2.3028079135764266	1.8662328294335375	3.7715381323627257
Val-13C1	0.22252151767658998	0.1978185740770903	0.1901533836367499	0.10815181513470386	0.08609179398578735	0.09631550621357327	0.13859481442973945	0.40500844584012663
Val-13C2	0.033707286694953036	0.082891411120286	0.031423859536220546	0.002073515884460832	0.024120881974901483	0.017195887160224334	0.006520062824549799	0.0052308079910471685
Val-13C3	0.008792106712487166	0.006901956300205898	0.01669420822802103	0	0.032263666714537814	0.01138913259044528	0	0.01044593551756503
Val-13C4	0	0.0024491653290339634	0.003009514628339738	0.0024918264761120685	0	0	0.00603064227362378	0.021337783700866277
Val-13C5	0.005292067298797373	0.0003234292180578045	0.0010363626741467943	0.005150996774059706	0.0012119174595844747	0.004817265854468012	0.0028735688526456476	0.014563171392670767
Val-ALL	4.416809011902218	4.4866879033878755	4.28122614002693	1.958146659251136	2.0349934925912203	2.4325257053951375	2.020251917814096	4.228124276805002
a-glycerol-3P_#1-13C0	4.1852216286876365	5.324284479789141	6.208901025448149	11.516592482752172	15.251081778865858	12.582202426318279	8.663572441787949	4.029897289907452
a-glycerol-3P_#1-13C1	0	0.021845643534802207	0.16846315022512065	0.21697346261196648	0.0027301050159930446	0.2721099148201166	0.02858881820321543	0
a-glycerol-3P_#1-13C2	0.1071851852082799	0.13229376659832956	0.19406410832635917	0	0.6110586543949806	0.20563265951690907	0.15745679337359142	0.04943797827637404
a-glycerol-3P_#1-13C3	0.8240931901755545	1.289478763887505	1.4489556048407206	1.330712102096561	2.289751423471521	1.8506236971281822	1.298243748140427	0.8091868495016643
a-glycerol-3P_#1-ALL	5.116500004071471	6.767902653809778	8.02038388884035	13.064278047460698	18.154621961748354	14.910568697783486	10.147861801505181	4.88852211768549
a-glycerol-3P_#2-13C0	4.6420184557230995	5.731145201120968	7.511624186417674	14.15745365481825	18.943839613541478	15.623524918643005	9.455244386053582	4.866491715066
a-glycerol-3P_#2-13C1	0.2148417013688185	0.13804880384126061	0.211983788102692	1.5312968888770015	1.3571035558322382	5.974181029613306	1.6213784537004663	0
a-glycerol-3P_#2-13C2	0.09000661198367176	0.19532994407207838	0.17177782446593992	0.5163087408683534	0.4657791313850144	0.42445256604699283	0.43640517434264803	0
a-glycerol-3P_#2-13C3	0.8507442379168569	1.7732510104849404	2.0197262202431965	1.9761356724412467	3.190331060478766	2.586414352522148	1.8889239280441252	0.7998118416919584
a-glycerol-3P_#2-ALL	5.7976110069924465	7.837774959519247	9.9151120192295	18.18119495700485	23.9570533612375	24.60857286682545	13.40195194214082	5.666303556757958
a-ketoglutarate-13C0	0.05548693776485656	0.026291587438672364	0.025261634296191188	0.2194643142604469	0.2251260780148908	0.19939416941157165	0.08848530182023095	0.03298668254339476
a-ketoglutarate-13C1	0	0	0	0.04628134833344347	0.05143317861600193	0.02373179987464476	0	0
a-ketoglutarate-13C2	0.022147731483817514	0.031006246733718133	0.041958514901773616	0.13329523360234738	0.12461304466230294	0.022779060493075435	0.06563893756444289	0.05176799448037616
a-ketoglutarate-13C3	0	0	0.011601191236015664	0.058714530131764094	0.10498068293382347	0.06509502433613479	0.023037300876995317	0.005747366982616541
a-ketoglutarate-13C4	0.06318801171611355	0.07700201110095463	0.00978870391491339	0	0	0.05762457664448309	0.021921089284284802	0.02159150730808241
a-ketoglutarate-13C5	0	0.02259799404546099	0	0.03724863334403787	0.023858309677112374	0	0.015779990306546695	0.023160811756484666
a-ketoglutarate-ALL	0.14082268096478762	0.1568978393188061	0.08861004434889386	0.4950040596720397	0.5300112939041315	0.3686246307599097	0.21486261985250066	0.13525436307095454
aOHglutarate-13C0	0.16501521701660382	0.15135596746605073	0.1953240559446042	0.30221549560978644	0.48737840865697607	0.49490112847510875	0.45406514882055193	0.20234645522847264
aOHglutarate-13C1	0.02791029017367481	0.030450652289027175	0.012959636481579835	0.07785611110576497	0.08596563604828791	0.15634527235209125	0.08081027718691841	0.010162406135344514
aOHglutarate-13C2	0.0982969662095272	0.11697771461634779	0.10288204163026814	0.15691105407953568	0.2224497855617477	0.2100307853649205	0.21341275464592493	0.08828964386176195
aOHglutarate-13C3	0.03653788051049405	0.04504041242455856	0.0501680832130335	0.040770869921382326	0.11174853239149468	0.10882288345622335	0.07741173097685479	0.02104617865022662
aOHglutarate-13C4	0.02885237008028159	0.03806300212612486	0.037307170321762145	0.05473325038716531	0.06258393668594814	0.08550589022410063	0.09108832747429411	0.04204851798362925
aOHglutarate-13C5	0.020497346147684906	0.035327626622877584	0.016594585896044938	0.009923007894924032	0.007446487238557862	0.022130744592925966	0.016269671189075692	0.003970536197703745
aOHglutarate-ALL	0.37711007013826636	0.4172153755449867	0.41523557348729273	0.6424097889985588	0.9775727865830125	1.0777367044653705	0.93305791029362	0.36786373805713873
ascorbate-13C0	0	0	0	0	0	0	0.010479694288028403	0
ascorbate-13C1	0	0	0	0	0	0	0	0
ascorbate-13C2	0	0	0	0	0	0	0.011845900371152346	0
ascorbate-13C3	0	0	0	0	0	0	0	0
ascorbate-13C4	0	0	0	0	0	0	0	0
ascorbate-13C5	0	0	0	0	0	0	0	0
ascorbate-13C6	0	0	0	0	0	0	0	0
ascorbate-ALL	0	0	0	0	0	0	0.02232559465918075	0
bOHbutyrate-13C0	0.5306392663968663	0.49626319071290953	0.46055008001455366	0.26087833843174196	0.15781723316514684	0.1746645441087936	0.17226524724737852	0.49040836489538914
bOHbutyrate-13C1	0.11697846666461104	0.1529645441030062	0.14925780430833901	0.044105311616620964	0.0524968759255281	0.11247871430493513	0.03177453260891765	0.13004350315403157
bOHbutyrate-13C2	0	0.02408128110338123	0	0	0.043437982137593464	0.05184783254093263	0.08163483001563365	0
bOHbutyrate-13C3	0	0.05328481306547716	0.013732533193948404	0	0	0.01926969840885051	0.013559968276734618	0.023856864133366604
bOHbutyrate-13C4	0.141697062404491	0.12972198864018178	0.06407941123228086	0.07666836542964386	0.0682006370068937	0.09959684801135299	0.05189740908969456	0.1017677461148861
bOHbutyrate-ALL	0.7893147954659684	0.8563158176249559	0.687619828749122	0.38165201547800676	0.32195272823516213	0.45785763737486485	0.35113198723835903	0.7460764782976734
citrate-13C0	0.2779496579861718	0.13863441688680048	0.09213178142658247	5.684987318387211	2.985511105597032	3.7859554246019584	2.0342696197052117	0.3484551272232561
citrate-13C1	0.14818298049284384	0.030577133173188133	0.11935099079771831	2.029132202260944	1.0641311895226053	1.0383646631449552	0.583140097903248	0.09799997114942464
citrate-13C2	0.5927225823561292	0.24417594089371994	0.2147035948657235	5.5667744120954525	2.800537916750436	3.844285659000627	2.4630285876506837	0.5077467390001745
citrate-13C3	0.09420659272877577	0.0533575537643503	0.0952002028288213	2.165933731469343	1.132391200823348	1.484763842331322	0.8189547177711228	0.20457087454788994
citrate-13C4	0.2193803809018791	0.14068777465429652	0.13712636268813683	2.0473484684968755	1.1311743368269094	1.154678169607386	0.689627521815347	0.11562053420825222
citrate-13C5	0.06562159622065575	0.03107040288781877	0.07668406923897648	0.9269094173751627	0.2990062436227119	0.6555300267104535	0.4808991741539704	0.12875045986142952
citrate-13C6	0	0.03549130420574201	0.03355869437253012	0.24055757259969404	0.2558730607863037	0.11749005938973515	0	0
citrate-ALL	1.3980637906864555	0.6739945264659162	0.768755696218489	18.661643122684687	9.668625053929347	12.081067844786439	7.069919718999584	1.403143705990427
fumarate-13C0	2.391358666193458	1.4345724527057775	1.9447296765994533	11.260058076504665	6.697093435080156	9.827517446060348	6.3415906715384525	2.203259187385984
fumarate-13C1	0.7079511418389366	0.37742078231562626	0.55407537748952	2.2903345361354757	1.4523453204427637	2.100770430809286	1.6566360937089823	0.6532539986717998
fumarate-13C2	0.9518654578347929	0.4997346822396363	0.7307075172887537	3.6187633873109766	2.3487471594885347	3.486128055464797	2.5263076103332955	0.8030045650063272
fumarate-13C3	0.6735871835968354	0.24725435815737512	0.3718559627682092	2.172799800054687	1.5120020340832865	1.9920152503084705	1.5527936903411759	0.6712169341096967
fumarate-13C4	0	0.07765602799640207	0	0.5181801179356037	0.2183331369213838	0.5152456605269485	0.6281264565645385	0.16842410107715444
fumarate-ALL	4.7247624494640235	2.6366383034148178	3.6013685341459363	19.860135917941406	12.228521086016125	17.92167684316985	12.705454522486445	4.4991587862509625
lactate-13C0	12.713040435468008	0.03428494370845257	0.030069108279425855	8.329230632426894	8.31199696555217	12.536111786657418	8.825849732308487	7.599306045826538
lactate-13C1	0.3332526494587886	3.204908216950901	2.2521908063147733	0.22283059624539756	0.5138976243091773	0.7086271227240852	0.32586675314762553	0.3663508750975669
lactate-13C2	0.34730619364655196	0.7218795156623612	0.8606004959807332	0.49305375079636826	0.7104309143653396	0.4112215622088752	0.3961488168019599	0.3170905988512346
lactate-13C3	3.820543772415537	3.187087731529289	2.538655488236514	3.3691757902965915	4.719355785098682	7.011967929285586	3.0725881097969334	2.1902257451078295
lactate-ALL	17.214143050988888	7.1481604078510035	5.681515898811447	12.414290769765252	14.25568128932537	20.667928400875965	12.620453412055006	10.472973264883167
pyroGlu-13C0	5.528376900765587	3.246917425479666	4.801830843032206	15.536865808406118	14.931504438089245	17.779880708539483	11.333700924383898	5.658085582550981
pyroGlu-13C1	1.2831469273290312	0.6264419426188965	1.3168655552296749	1.982647317874155	2.174234361980855	2.7883219414641185	2.531492651928656	1.041493642805571
pyroGlu-13C2	2.5469677191892304	2.254326684036648	2.4948106891632467	5.767152863478629	6.23913136868483	7.260950447319016	5.736271341477321	2.6456992322931887
pyroGlu-13C3	0.8784459740939643	1.0774153560885047	1.446791604005952	2.0192511569972535	2.25928039492141	2.021606746492863	1.6335826195375225	1.1453618682366682
pyroGlu-13C4	0.8245259792116263	0.62977275146955	0.8005071128071904	1.3620050158258388	1.44106408238552	1.659244384498511	1.0377839837641583	0.679965286536141
pyroGlu-13C5	0.24598104935249757	0.46528490378058207	0.3300427004314164	0.4272082815914828	0.4186431727305934	0.6032383748183558	0.4793275910242419	0.4524939755499521
pyroGlu-ALL	11.307444549941936	8.37685227313183	11.25655878489543	27.106072127494503	27.463857818792455	32.11324260313235	22.752159112115798	11.67738279506105
t-aconitate-13C0	0.07844337837169284	0.19019683663303735	0.05173142607276012	1.0394051238491218	0.6113508299215139	0.5262075945895416	0.28285731981830176	0
t-aconitate-13C1	0.07225141270991518	0.10649004363806205	0.13284896307216965	0.24270923086718585	0.0662377311944243	0.2884691523374347	0.1516568152220754	0
t-aconitate-13C2	0.037697571798386446	0	0.01433033691954275	0.9999223036666827	0.43847757988457775	0.35504731256850863	0.07022683488318554	0
t-aconitate-13C3	0.06763375465665153	0.1370533098769395	0.0036919554994668106	0.4182993051037177	0.17129217912040892	0.3043731131711623	0.23405549016704014	0
t-aconitate-13C4	0.012801704754108141	0	0	0.27208929684009386	0	0.41617788553312496	0.09202347695825781	0
t-aconitate-13C5	0.01935487695827183	0.14487615445396582	0.11407808808975659	0.1432597823824857	0.21378357816218946	0	0.10497977068828555	0
t-aconitate-13C6	0.03081777128130397	0.006804485645220998	0	0	0	0	0.02654532349446122	0
t-aconitate-ALL	0.3190004705303299	0.5854208302472257	0.3166807696536959	3.1156850427092877	1.5011418982831144	1.890275058199772	0.9623450312316076	0
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	compound	isotopologue	isotopologue%type
Ala-13C0	Ala	13C0	13C
Ala-13C1	Ala	13C1	13C
Ala-13C2	Ala	13C2	13C
Ala-13C3	Ala	13C3	13C
Ala-ALL	Ala	ALL	13C
Arg-13C0	Arg	13C0	13C
Arg-13C1	Arg	13C1	13C
Arg-13C2	Arg	13C2	13C
Arg-13C3	Arg	13C3	13C
Arg-13C4	Arg	13C4	13C
Arg-13C5	Arg	13C5	13C
Arg-13C6	Arg	13C6	13C
Arg-ALL	Arg	ALL	13C
Asn-13C0	Asn	13C0	13C
Asn-13C1	Asn	13C1	13C
Asn-13C2	Asn	13C2	13C
Asn-13C3	Asn	13C3	13C
Asn-13C4	Asn	13C4	13C
Asn-ALL	Asn	ALL	13C
Asp-13C0	Asp	13C0	13C
Asp-13C1	Asp	13C1	13C
Asp-13C2	Asp	13C2	13C
Asp-13C3	Asp	13C3	13C
Asp-13C4	Asp	13C4	13C
Asp-ALL	Asp	ALL	13C
Cys-13C0	Cys	13C0	13C
Cys-13C1	Cys	13C1	13C
Cys-13C2	Cys	13C2	13C
Cys-13C3	Cys	13C3	13C
Cys-ALL	Cys	ALL	13C
GAB-13C0	GAB	13C0	13C
GAB-13C1	GAB	13C1	13C
GAB-13C2	GAB	13C2	13C
GAB-13C3	GAB	13C3	13C
GAB-13C4	GAB	13C4	13C
GAB-ALL	GAB	ALL	13C
Gln-13C0	Gln	13C0	13C
Gln-13C1	Gln	13C1	13C
Gln-13C2	Gln	13C2	13C
Gln-13C3	Gln	13C3	13C
Gln-13C4	Gln	13C4	13C
Gln-13C5	Gln	13C5	13C
Gln-ALL	Gln	ALL	13C
Glu-13C0	Glu	13C0	13C
Glu-13C1	Glu	13C1	13C
Glu-13C2	Glu	13C2	13C
Glu-13C3	Glu	13C3	13C
Glu-13C4	Glu	13C4	13C
Glu-13C5	Glu	13C5	13C
Glu-ALL	Glu	ALL	13C
Gly-13C0	Gly	13C0	13C
Gly-13C1	Gly	13C1	13C
Gly-13C2	Gly	13C2	13C
Gly-ALL	Gly	ALL	13C
His-13C0	His	13C0	13C
His-13C1	His	13C1	13C
His-13C2	His	13C2	13C
His-13C3	His	13C3	13C
His-13C4	His	13C4	13C
His-13C5	His	13C5	13C
His-13C6	His	13C6	13C
His-ALL	His	ALL	13C
Ile-13C0	Ile	13C0	13C
Ile-13C1	Ile	13C1	13C
Ile-13C2	Ile	13C2	13C
Ile-13C3	Ile	13C3	13C
Ile-13C4	Ile	13C4	13C
Ile-13C5	Ile	13C5	13C
Ile-13C6	Ile	13C6	13C
Ile-ALL	Ile	ALL	13C
Isocitrate-13C0	Isocitrate	13C0	13C
Isocitrate-13C1	Isocitrate	13C1	13C
Isocitrate-13C2	Isocitrate	13C2	13C
Isocitrate-13C3	Isocitrate	13C3	13C
Isocitrate-13C4	Isocitrate	13C4	13C
Isocitrate-13C5	Isocitrate	13C5	13C
Isocitrate-13C6	Isocitrate	13C6	13C
Isocitrate-ALL	Isocitrate	ALL	13C
Itaconate-13C0	Itaconate	13C0	13C
Itaconate-13C1	Itaconate	13C1	13C
Itaconate-13C2	Itaconate	13C2	13C
Itaconate-13C3	Itaconate	13C3	13C
Itaconate-13C4	Itaconate	13C4	13C
Itaconate-ALL	Itaconate	ALL	13C
Kynurenic_acid-13C0	Kynurenic_acid	13C0	13C
Kynurenic_acid-13C1	Kynurenic_acid	13C1	13C
Kynurenic_acid-13C10	Kynurenic_acid	13C10	13C
Kynurenic_acid-13C2	Kynurenic_acid	13C2	13C
Kynurenic_acid-13C3	Kynurenic_acid	13C3	13C
Kynurenic_acid-13C4	Kynurenic_acid	13C4	13C
Kynurenic_acid-13C5	Kynurenic_acid	13C5	13C
Kynurenic_acid-13C6	Kynurenic_acid	13C6	13C
Kynurenic_acid-13C7	Kynurenic_acid	13C7	13C
Kynurenic_acid-13C8	Kynurenic_acid	13C8	13C
Kynurenic_acid-13C9	Kynurenic_acid	13C9	13C
Kynurenic_acid-ALL	Kynurenic_acid	ALL	13C
Kynurenine-13C0	Kynurenine	13C0	13C
Kynurenine-13C1	Kynurenine	13C1	13C
Kynurenine-13C2	Kynurenine	13C2	13C
Kynurenine-13C3	Kynurenine	13C3	13C
Kynurenine-13C4	Kynurenine	13C4	13C
Kynurenine-13C5	Kynurenine	13C5	13C
Kynurenine-13C6	Kynurenine	13C6	13C
Kynurenine-13C7	Kynurenine	13C7	13C
Kynurenine-13C8	Kynurenine	13C8	13C
Kynurenine-ALL	Kynurenine	ALL	13C
Leu-13C0	Leu	13C0	13C
Leu-13C1	Leu	13C1	13C
Leu-13C2	Leu	13C2	13C
Leu-13C3	Leu	13C3	13C
Leu-13C4	Leu	13C4	13C
Leu-13C5	Leu	13C5	13C
Leu-13C6	Leu	13C6	13C
Leu-ALL	Leu	ALL	13C
Lys-13C0	Lys	13C0	13C
Lys-13C1	Lys	13C1	13C
Lys-13C2	Lys	13C2	13C
Lys-13C3	Lys	13C3	13C
Lys-13C4	Lys	13C4	13C
Lys-13C5	Lys	13C5	13C
Lys-13C6	Lys	13C6	13C
Lys-ALL	Lys	ALL	13C
Malate-13C0	Malate	13C0	13C
Malate-13C1	Malate	13C1	13C
Malate-13C2	Malate	13C2	13C
Malate-13C3	Malate	13C3	13C
Malate-13C4	Malate	13C4	13C
Malate-ALL	Malate	ALL	13C
Met-13C0	Met	13C0	13C
Met-13C1	Met	13C1	13C
Met-13C2	Met	13C2	13C
Met-13C3	Met	13C3	13C
Met-13C4	Met	13C4	13C
Met-13C5	Met	13C5	13C
Met-ALL	Met	ALL	13C
N-Ace-Asp-13C0	N-Ace-Asp	13C0	13C
N-Ace-Asp-13C1	N-Ace-Asp	13C1	13C
N-Ace-Asp-13C2	N-Ace-Asp	13C2	13C
N-Ace-Asp-13C3	N-Ace-Asp	13C3	13C
N-Ace-Asp-13C4	N-Ace-Asp	13C4	13C
N-Ace-Asp-13C5	N-Ace-Asp	13C5	13C
N-Ace-Asp-13C6	N-Ace-Asp	13C6	13C
N-Ace-Asp-ALL	N-Ace-Asp	ALL	13C
OHPro-13C0	OHPro	13C0	13C
OHPro-13C1	OHPro	13C1	13C
OHPro-13C2	OHPro	13C2	13C
OHPro-13C3	OHPro	13C3	13C
OHPro-13C4	OHPro	13C4	13C
OHPro-13C5	OHPro	13C5	13C
OHPro-ALL	OHPro	ALL	13C
Orn-13C0	Orn	13C0	13C
Orn-13C1	Orn	13C1	13C
Orn-13C2	Orn	13C2	13C
Orn-13C3	Orn	13C3	13C
Orn-13C4	Orn	13C4	13C
Orn-13C5	Orn	13C5	13C
Orn-ALL	Orn	ALL	13C
Phe-13C0	Phe	13C0	13C
Phe-13C1	Phe	13C1	13C
Phe-13C2	Phe	13C2	13C
Phe-13C3	Phe	13C3	13C
Phe-13C4	Phe	13C4	13C
Phe-13C5	Phe	13C5	13C
Phe-13C6	Phe	13C6	13C
Phe-13C7	Phe	13C7	13C
Phe-13C8	Phe	13C8	13C
Phe-13C9	Phe	13C9	13C
Phe-ALL	Phe	ALL	13C
Pro-13C0	Pro	13C0	13C
Pro-13C1	Pro	13C1	13C
Pro-13C2	Pro	13C2	13C
Pro-13C3	Pro	13C3	13C
Pro-13C4	Pro	13C4	13C
Pro-13C5	Pro	13C5	13C
Pro-ALL	Pro	ALL	13C
Ser-13C0	Ser	13C0	13C
Ser-13C1	Ser	13C1	13C
Ser-13C2	Ser	13C2	13C
Ser-13C3	Ser	13C3	13C
Ser-ALL	Ser	ALL	13C
Succinate-13C0	Succinate	13C0	13C
Succinate-13C1	Succinate	13C1	13C
Succinate-13C2	Succinate	13C2	13C
Succinate-13C3	Succinate	13C3	13C
Succinate-13C4	Succinate	13C4	13C
Succinate-ALL	Succinate	ALL	13C
Thr-13C0	Thr	13C0	13C
Thr-13C1	Thr	13C1	13C
Thr-13C2	Thr	13C2	13C
Thr-13C3	Thr	13C3	13C
Thr-13C4	Thr	13C4	13C
Thr-ALL	Thr	ALL	13C
Trp-13C0	Trp	13C0	13C
Trp-13C1	Trp	13C1	13C
Trp-13C10	Trp	13C10	13C
Trp-13C11	Trp	13C11	13C
Trp-13C2	Trp	13C2	13C
Trp-13C3	Trp	13C3	13C
Trp-13C4	Trp	13C4	13C
Trp-13C5	Trp	13C5	13C
Trp-13C6	Trp	13C6	13C
Trp-13C7	Trp	13C7	13C
Trp-13C8	Trp	13C8	13C
Trp-13C9	Trp	13C9	13C
Trp-ALL	Trp	ALL	13C
Tyr-13C0	Tyr	13C0	13C
Tyr-13C1	Tyr	13C1	13C
Tyr-13C2	Tyr	13C2	13C
Tyr-13C3	Tyr	13C3	13C
Tyr-13C4	Tyr	13C4	13C
Tyr-13C5	Tyr	13C5	13C
Tyr-13C6	Tyr	13C6	13C
Tyr-13C7	Tyr	13C7	13C
Tyr-13C8	Tyr	13C8	13C
Tyr-13C9	Tyr	13C9	13C
Tyr-ALL	Tyr	ALL	13C
Val-13C0	Val	13C0	13C
Val-13C1	Val	13C1	13C
Val-13C2	Val	13C2	13C
Val-13C3	Val	13C3	13C
Val-13C4	Val	13C4	13C
Val-13C5	Val	13C5	13C
Val-ALL	Val	ALL	13C
a-glycerol-3P_#1-13C0	a-glycerol-3P_#1	13C0	13C
a-glycerol-3P_#1-13C1	a-glycerol-3P_#1	13C1	13C
a-glycerol-3P_#1-13C2	a-glycerol-3P_#1	13C2	13C
a-glycerol-3P_#1-13C3	a-glycerol-3P_#1	13C3	13C
a-glycerol-3P_#1-ALL	a-glycerol-3P_#1	ALL	13C
a-glycerol-3P_#2-13C0	a-glycerol-3P_#2	13C0	13C
a-glycerol-3P_#2-13C1	a-glycerol-3P_#2	13C1	13C
a-glycerol-3P_#2-13C2	a-glycerol-3P_#2	13C2	13C
a-glycerol-3P_#2-13C3	a-glycerol-3P_#2	13C3	13C
a-glycerol-3P_#2-ALL	a-glycerol-3P_#2	ALL	13C
a-ketoglutarate-13C0	a-ketoglutarate	13C0	13C
a-ketoglutarate-13C1	a-ketoglutarate	13C1	13C
a-ketoglutarate-13C2	a-ketoglutarate	13C2	13C
a-ketoglutarate-13C3	a-ketoglutarate	13C3	13C
a-ketoglutarate-13C4	a-ketoglutarate	13C4	13C
a-ketoglutarate-13C5	a-ketoglutarate	13C5	13C
a-ketoglutarate-ALL	a-ketoglutarate	ALL	13C
aOHglutarate-13C0	aOHglutarate	13C0	13C
aOHglutarate-13C1	aOHglutarate	13C1	13C
aOHglutarate-13C2	aOHglutarate	13C2	13C
aOHglutarate-13C3	aOHglutarate	13C3	13C
aOHglutarate-13C4	aOHglutarate	13C4	13C
aOHglutarate-13C5	aOHglutarate	13C5	13C
aOHglutarate-ALL	aOHglutarate	ALL	13C
ascorbate-13C0	ascorbate	13C0	13C
ascorbate-13C1	ascorbate	13C1	13C
ascorbate-13C2	ascorbate	13C2	13C
ascorbate-13C3	ascorbate	13C3	13C
ascorbate-13C4	ascorbate	13C4	13C
ascorbate-13C5	ascorbate	13C5	13C
ascorbate-13C6	ascorbate	13C6	13C
ascorbate-ALL	ascorbate	ALL	13C
bOHbutyrate-13C0	bOHbutyrate	13C0	13C
bOHbutyrate-13C1	bOHbutyrate	13C1	13C
bOHbutyrate-13C2	bOHbutyrate	13C2	13C
bOHbutyrate-13C3	bOHbutyrate	13C3	13C
bOHbutyrate-13C4	bOHbutyrate	13C4	13C
bOHbutyrate-ALL	bOHbutyrate	ALL	13C
citrate-13C0	citrate	13C0	13C
citrate-13C1	citrate	13C1	13C
citrate-13C2	citrate	13C2	13C
citrate-13C3	citrate	13C3	13C
citrate-13C4	citrate	13C4	13C
citrate-13C5	citrate	13C5	13C
citrate-13C6	citrate	13C6	13C
citrate-ALL	citrate	ALL	13C
fumarate-13C0	fumarate	13C0	13C
fumarate-13C1	fumarate	13C1	13C
fumarate-13C2	fumarate	13C2	13C
fumarate-13C3	fumarate	13C3	13C
fumarate-13C4	fumarate	13C4	13C
fumarate-ALL	fumarate	ALL	13C
lactate-13C0	lactate	13C0	13C
lactate-13C1	lactate	13C1	13C
lactate-13C2	lactate	13C2	13C
lactate-13C3	lactate	13C3	13C
lactate-ALL	lactate	ALL	13C
pyroGlu-13C0	pyroGlu	13C0	13C
pyroGlu-13C1	pyroGlu	13C1	13C
pyroGlu-13C2	pyroGlu	13C2	13C
pyroGlu-13C3	pyroGlu	13C3	13C
pyroGlu-13C4	pyroGlu	13C4	13C
pyroGlu-13C5	pyroGlu	13C5	13C
pyroGlu-ALL	pyroGlu	ALL	13C
t-aconitate-13C0	t-aconitate	13C0	13C
t-aconitate-13C1	t-aconitate	13C1	13C
t-aconitate-13C2	t-aconitate	13C2	13C
t-aconitate-13C3	t-aconitate	13C3	13C
t-aconitate-13C4	t-aconitate	13C4	13C
t-aconitate-13C5	t-aconitate	13C5	13C
t-aconitate-13C6	t-aconitate	13C6	13C
t-aconitate-ALL	t-aconitate	ALL	13C
METABOLITES_END
#END