#METABOLOMICS WORKBENCH huntermoseley_20180831_201836 DATATRACK_ID:1490 STUDY_ID:ST001045 ANALYSIS_ID:AN001709 PROJECT_ID:PR000701
VERSION             	1
CREATED_ON             	September 4, 2018, 12:14 pm
#PROJECT
PR:PROJECT_TITLE                 	The role of Fatty Acid Synthase (FASN) in Colorectal Cancer (CRC) metastasis
PR:PROJECT_SUMMARY               	Determine the mechansims ( including alterations in metabolic pathways) that
PR:PROJECT_SUMMARY               	mediate the effect of FASN on metastasis in CRC
PR:INSTITUTE                     	University of Kentucky
PR:DEPARTMENT                    	Markey Cancer Center
PR:LAST_NAME                     	Zaytseva
PR:FIRST_NAME                    	Kate
PR:ADDRESS                       	B336-42, BBSRB 741 South Limestone Lexington, Kentucky 40536
PR:EMAIL                         	yyzayt2@uky.edu
PR:PHONE                         	000-000-0000
#STUDY
ST:STUDY_TITLE                   	FASN effect on HCT116 metabolism probed by 13C6-glucose tracer
ST:STUDY_TYPE                    	compare the metabolic pathways in control and stable FASN knockdown HCT116 cells
ST:STUDY_TYPE                    	using 13C Glc tracer
ST:STUDY_SUMMARY                 	13C6-glucose tracer used to track the effects of FASN on HCT116 CRC cells
ST:STUDY_SUMMARY                 	metabolism
ST:INSTITUTE                     	University of Kentucky
ST:DEPARTMENT                    	Markey Cancer Center
ST:LAST_NAME                     	Zaytseva
ST:FIRST_NAME                    	Kate
ST:ADDRESS                       	B336-42, BBSRB 741 South Limestone Lexington, Kentucky 40536
ST:EMAIL                         	yyzayt2@uky.edu
ST:PHONE                         	000-000-0000
#SUBJECT
SU:SUBJECT_TYPE                  	Animal
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	1_ NTC _no label Glc	protocol.id:12CGlc_NTC_shRNA	lineage_1=1_ HCT116 NTC _no label Glc_plate; cell_type=HCT116; plate_media_tare=28.448; protocol.id=12CGlc_NTC_shRNA; replicate=1; species=Homo sapiens; species_type=Animal; taxonomy_id=9606; lineage_2=1_ HCT116 NTC _no label Glc_plate-cells; cell_type=HCT116; protocol.id=cell_quench_collection; lineage_3=1_ HCT116 NTC _no label Glc_plate-cells-polar-GCMS_A; protocol.id=polar_extraction; replicate=1; type=polar; weight=0.1405; weight%units=g
SUBJECT_SAMPLE_FACTORS           	-	2_ NTC _13C Glc_1	protocol.id:13CGlc_NTC_shRNA	lineage_1=2_ HCT116 NTC _13C Glc_1 plate; cell_type=HCT116; plate_media_tare=28.608; protocol.id=13CGlc_NTC_shRNA; replicate=2; species=Homo sapiens; species_type=Animal; taxonomy_id=9606; lineage_2=2_ HCT116 NTC _13C Glc_1 plate-cells; cell_type=HCT116; protocol.id=cell_quench_collection; lineage_3=2_ HCT116 NTC _13C Glc_1 plate-cells-polar-GCMS_A; protocol.id=polar_extraction; replicate=1; type=polar; weight=0.1419; weight%units=g
SUBJECT_SAMPLE_FACTORS           	-	3_ NTC _13C Glc_2	protocol.id:13CGlc_NTC_shRNA	lineage_1=3_ HCT116 NTC _13C Glc_2 plate; cell_type=HCT116; plate_media_tare=28.661; protocol.id=13CGlc_NTC_shRNA; replicate=3; species=Homo sapiens; species_type=Animal; taxonomy_id=9606; lineage_2=3_ HCT116 NTC _13C Glc_2 plate-cells; cell_type=HCT116; protocol.id=cell_quench_collection; lineage_3=3_ HCT116 NTC _13C Glc_2 plate-cells-polar-GCMS_A; protocol.id=polar_extraction; replicate=1; type=polar; weight=0.1416; weight%units=g
SUBJECT_SAMPLE_FACTORS           	-	4_ NTC _13C Glc_3	protocol.id:13CGlc_NTC_shRNA	lineage_1=4_ HCT116 NTC _13C Glc_3 plate; cell_type=HCT116; plate_media_tare=28.539; protocol.id=13CGlc_NTC_shRNA; replicate=1; species=Homo sapiens; species_type=Animal; taxonomy_id=9606; lineage_2=4_ HCT116 NTC _13C Glc_3 plate-cells; cell_type=HCT116; protocol.id=cell_quench_collection; lineage_3=4_ HCT116 NTC _13C Glc_3 plate-cells-polar-GCMS_A; protocol.id=polar_extraction; replicate=1; type=polar; weight=0.1408; weight%units=g
SUBJECT_SAMPLE_FACTORS           	-	5_ FASNsh_ no label Glc	protocol.id:12CGlc_FASN_shRNA	lineage_1=5_HCT116 FASNsh_ no label Glc_plate; cell_type=HCT116; plate_media_tare=29.037; protocol.id=12CGlc_FASN_shRNA; replicate=2; species=Homo sapiens; species_type=Animal; taxonomy_id=9606; lineage_2=5_HCT116 FASNsh_ no label Glc_plate-cells; cell_type=HCT116; protocol.id=cell_quench_collection; lineage_3=5_HCT116 FASNsh_ no label Glc_plate-cells-polar-GCMS_A; protocol.id=polar_extraction; replicate=1; type=polar; weight=0.1456; weight%units=g
SUBJECT_SAMPLE_FACTORS           	-	6_ FASNsh _13C Glc_1	protocol.id:13CGlc_FASN_shRNA	lineage_1=6_ HCT116 FASNsh _13C Glc_1plate; cell_type=HCT116; plate_media_tare=27.944; protocol.id=13CGlc_FASN_shRNA; replicate=3; species=Homo sapiens; species_type=Animal; taxonomy_id=9606; lineage_2=6_ HCT116 FASNsh _13C Glc_1plate-cells; cell_type=HCT116; protocol.id=cell_quench_collection; lineage_3=6_ HCT116 FASNsh _13C Glc_1plate-cells-polar-GCMS_A; protocol.id=polar_extraction; replicate=1; type=polar; weight=0.1421; weight%units=g
SUBJECT_SAMPLE_FACTORS           	-	7_ FASNsh _13C Glc_2	protocol.id:13CGlc_FASN_shRNA	lineage_1=7_ HCT116 FASNsh _13C Glc_2plate; cell_type=HCT116; plate_media_tare=28.963; protocol.id=13CGlc_FASN_shRNA; replicate=1; species=Homo sapiens; species_type=Animal; taxonomy_id=9606; lineage_2=7_ HCT116 FASNsh _13C Glc_2plate-cells; cell_type=HCT116; protocol.id=cell_quench_collection; lineage_3=7_ HCT116 FASNsh _13C Glc_2plate-cells-polar-GCMS_A; protocol.id=polar_extraction; replicate=1; type=polar; weight=0.134; weight%units=g
SUBJECT_SAMPLE_FACTORS           	-	8_ FASNsh _13C Glc_3	protocol.id:13CGlc_FASN_shRNA	lineage_1=8_ HCT116 FASNsh _13C Glc_3plate; cell_type=HCT116; plate_media_tare=28.948; protocol.id=13CGlc_FASN_shRNA; replicate=1; species=Homo sapiens; species_type=Animal; taxonomy_id=9606; lineage_2=8_ HCT116 FASNsh _13C Glc_3plate-cells; cell_type=HCT116; protocol.id=cell_quench_collection; lineage_3=8_ HCT116 FASNsh _13C Glc_3plate-cells-polar-GCMS_A; protocol.id=polar_extraction; replicate=1; type=polar; weight=0.1414; 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 transfected with FASN shRNA. Grown in unlabeled
TR:TREATMENT_SUMMARY             	glucose and transfected with non targeted shRNA. Grown in labeled glucose and
TR:TREATMENT_SUMMARY             	transfected with FASN shRNA. Grown in labeled glucose and transfected with non
TR:TREATMENT_SUMMARY             	targeted shRNA.
TR:TREATMENT_PROTOCOL_ID         	12CGlc_FASN_shRNA 12CGlc_NTC_shRNA 13CGlc_FASN_shRNA 13CGlc_NTC_shRNA
#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	1_ NTC _no label Glc	2_ NTC _13C Glc_1	3_ NTC _13C Glc_2	4_ NTC _13C Glc_3	5_ FASNsh_ no label Glc	6_ FASNsh _13C Glc_1	7_ FASNsh _13C Glc_2	8_ FASNsh _13C Glc_3
Factors	protocol.id:12CGlc_NTC_shRNA	protocol.id:13CGlc_NTC_shRNA	protocol.id:13CGlc_NTC_shRNA	protocol.id:13CGlc_NTC_shRNA	protocol.id:12CGlc_FASN_shRNA	protocol.id:13CGlc_FASN_shRNA	protocol.id:13CGlc_FASN_shRNA	protocol.id:13CGlc_FASN_shRNA
Ala-13C0	22.303530813562823	8.666848207164694	9.793566181146451	10.550741405476002	21.398110064741683	10.881191707426648	14.888443594098959	12.791532477753663
Ala-13C1	1.305907454933121	0.44842177305496583	0.07524926789890499	0.9477565776260733	0.2915992713087601	1.6755855876482633	0.307913203657911	0.9460497537184269
Ala-13C2	0.44554500722280627	1.1491066660775555	1.058550180518483	2.457823911708892	0.4490018030903961	1.5441287045456478	1.7178304003180087	2.277906222551047
Ala-13C3	0	12.846806985314549	13.47409720059808	16.033147287754456	0	12.93617400327418	16.14050914243129	17.27951715461871
Ala-ALL	24.054983275718747	23.111183631611766	24.40146283016192	29.989469182565422	22.13871113914084	27.03708000289474	33.05469634050617	33.295005608641844
Arg-13C0	11.50526175439568	15.636982957069193	16.269799054506986	21.49677785521408	11.851224433945378	21.96630431814519	24.808023460658028	28.25943719588181
Arg-13C1	1.4864472753949836	1.5322299282555978	2.898007415915064	4.122315414188443	2.372709621109968	2.5374483939074697	1.9671507234121075	3.543251838339393
Arg-13C2	0.29914189505445576	0.26134554042344704	0.9502900717407978	1.6915741394178683	0.2205484816220982	0.3793492647948578	1.1124094032031608	0
Arg-13C3	0.48348631789671187	0.5819737585915711	0.594257153934309	0.2686477514506049	0.44387329897627276	0.12501286173595902	0	0
Arg-13C4	0.3837081149569703	0	0.005278122133417606	0.31874599811763454	0	0.13965582882831276	0	0.4071273653505295
Arg-13C5	0.06295863231642139	0	0	0	0	0	0	0
Arg-13C6	0	0	0	0.2312685597032441	0	0	0	0
Arg-ALL	14.221003990015223	18.012532184339808	20.717631818230576	28.129329718091874	14.888355835653716	25.14777066741179	27.887583587273294	32.209816399571736
Asn-13C0	10.396182658106143	5.835435529811785	7.891737966705321	9.718135259093792	9.57141652228173	7.491920532312119	8.95256673000361	9.321871668169347
Asn-13C1	0.38610717966097435	0.9158013821508543	0.8571456792843788	0.6274897767992698	0.1360725250838961	0.9256753262119496	0.4482874054110169	1.284806060674869
Asn-13C2	0.04666185865058711	2.1331178577644896	2.519527691159688	2.6202791582777816	0	2.187129370251289	2.5171622828885485	2.5494427778425766
Asn-13C3	0	1.2185426918343336	1.5550140420536376	1.6592995891229456	0.06318880440300885	1.1609151455841809	1.8804438222783282	2.0404634228192973
Asn-13C4	0.014855543594528415	0.41137097446597276	0.45633321483829575	0.2001373861967084	0.037881043812541614	0.5020892262280783	0.340704782429852	0.4028582632389049
Asn-ALL	10.843807240012234	10.514268436027434	13.27975859404132	14.825341169490496	9.808558895581177	12.267729600587616	14.139165023011357	15.599442192744995
Asp-13C0	81.53946795647249	45.858021707055016	45.28810560569654	48.681992054259	65.46193508773374	53.324037849003325	54.633793271163505	55.22087937895932
Asp-13C1	3.588744496646095	6.28774716883767	6.1697699985630505	6.453116634786341	3.9662337869821322	3.835402318126685	8.0603760342177	6.8130512186114895
Asp-13C2	0.3418365435733453	15.060807071626861	13.623884968009898	19.369148989623618	0.020113235033377714	15.106076100277415	20.203016378495658	18.173149397221895
Asp-13C3	0.5619307090982407	9.85219199750911	11.945181931004146	11.87967184430744	0.4720532934721679	10.738118786088808	10.831327508301895	12.680240934189154
Asp-13C4	0.17320426232417144	4.4744753011818155	5.088193614805226	5.761232248989954	0	3.4014743043007143	3.714809343711836	4.3177982313051855
Asp-ALL	86.20518396811435	81.53324324621047	82.11513611807885	92.14516177196634	69.92033540322142	86.40510935779695	97.4433225358906	97.20511916028705
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	6.778293815517882	5.974518135391836	7.109898563518472	7.649171127323358	8.193713179300396	10.710298001187729	12.293075999932874	10.100513132147256
GAB-13C1	0.24017286528876708	0.8318752700600636	0.617943957915303	0.385538433695521	0.81607985151711	1.3972529555767108	0.6551459269899367	1.049169489522504
GAB-13C2	0.0006156284683345207	0	0.2504435565386023	0.23461237288467424	0.4383403890176528	0.3055211498279312	0.7842138732270102	0.7782402090157674
GAB-13C3	0.32087553408730535	0.007971892764156488	0.05421807819284853	0.24092428044566058	0.0615587753069378	0.07987353010898512	0.13046225622394847	0
GAB-13C4	0	0	0	0	0	0.07260939281864565	0	0.1451443062281421
GAB-ALL	7.339957843362289	6.814365298216056	8.032504156165226	8.510246214349214	9.509692195142096	12.565555029520002	13.86289805637377	12.073067136913668
Gln-13C0	1519.9284180762977	1459.2727810737686	1640.7463087808705	1859.292256192867	1503.0954593473607	2114.558537301453	2406.67522934978	2121.4566153835035
Gln-13C1	96.04256973001647	82.39705086837914	83.75631137147914	136.2203411535109	66.09795033308241	151.09450024675627	156.16899133506269	142.6583942900145
Gln-13C2	7.203358334764002	15.409122440095759	32.260737162325015	33.35175237309917	32.816675073159686	31.280208406436568	37.33371203210245	45.7943965837972
Gln-13C3	0	7.631374660266362	13.299942895584419	0	0	10.311161857420164	0	2.875154864103359
Gln-13C4	1.9823396031939462	5.339828326110893	2.218590314829746	11.166030007825102	0	1.0723854284436858	9.528019895198065	5.564300693588655
Gln-13C5	1.2723354397706546	0	2.869853959327303	4.662074241327652	0.05820482804781188	1.9612678209753986	0	0
Gln-ALL	1626.4290211840428	1570.0501573686208	1775.151744484416	2044.6924539686297	1602.0682895816508	2310.278061061485	2609.7059526121434	2318.3488618150077
Glu-13C0	711.8334211549161	378.92055705692	389.4112398627214	434.5676877415511	611.9468936139303	481.2004256117177	572.2003597149463	503.37788619644454
Glu-13C1	58.452101828987644	44.6295018757544	46.377245101433	48.392734606909585	40.410243736305766	58.596176183860656	61.17816064573363	77.99534061779781
Glu-13C2	7.263176087899607	148.2101719475312	181.38760866310477	184.55640756568704	9.01500768025479	201.39403196074323	230.79718989199088	183.79028010495645
Glu-13C3	0	60.429314357158496	50.34231433372889	82.7658229871854	2.142769893423579	59.369745949941525	76.46691503219881	88.45462559980986
Glu-13C4	0.7364870143523778	58.271665031852905	59.19219712221442	76.74325920920714	0	61.642927617384814	61.715686707200014	77.08634526536643
Glu-13C5	1.4004933080599202	23.485765919705617	32.48467710792341	33.85322825201365	0	21.99980230957797	35.569265887860055	31.708024354462417
Glu-ALL	779.6856793942158	713.9469761889227	759.1952821911259	860.8791403625539	663.5149149239146	884.2031096332258	1037.9275778799297	962.4125021388375
Gly-13C0	50.38001007945187	48.40741627839122	50.09214659330109	58.799459898256096	49.123794697444325	60.75614486354046	71.75866385669708	72.18496045013877
Gly-13C1	2.01499214877294	1.0557788715179444	0.7700138292559935	1.8617689178223376	3.64801555048541	2.1973456397041393	2.117548374310217	2.0066497380201107
Gly-13C2	0.43692835639990707	0.7108182565735672	0.8133862584543998	1.238821850178624	0	0.44566513361554577	0.4012712900785448	0.16755003912542382
Gly-ALL	52.83193058462472	50.17401340648273	51.67554668101148	61.90005066625706	52.771810247929736	63.39915563686015	74.27748352108584	74.35916022728432
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	39.63488679512392	39.424107291763754	44.7744706343405	55.89152178716458	40.45904018688292	50.8159149091221	73.7553527650388	68.46817879699145
Ile-13C1	3.3203667746116157	2.5680210827677183	2.1312605408069527	6.881298552148223	4.627015333331813	4.983196185590917	3.6959520347322097	1.0817577717145528
Ile-13C2	0.10060011327854693	0.6788077022709872	1.0176271234491152	0	0.1562342733457856	0.6773913582413171	0	0.8113310091743711
Ile-13C3	0.7030335599762205	0.01866685447452973	0.4320817178247549	0.33820172652510966	0.12109952288599952	0	0	0.010686832609094182
Ile-13C4	0	0	0	0.0015091713705621915	0.040556942606572235	0	0	0.033456118542319085
Ile-13C5	0.11280515574486592	0.21233929709402596	0.3631586957884	0.060650861419173197	0	0.23957735233238953	0	0.06850989111768997
Ile-13C6	0	0	0.04896220195382319	0.15278679010338614	0	0	0	0
Ile-ALL	43.87169239873516	42.90194222837102	48.76756091416355	63.32596888873103	45.40394625905309	56.716079805286725	77.45130479977101	70.47392042014947
Leu-13C0	40.29268938296937	40.112787760556	44.58122564453502	54.62943805997885	39.22296612711657	52.72451653339931	63.57825302526679	60.36835396418281
Leu-13C1	2.5604485200911875	4.417774349296423	3.237466246015179	4.496358042981257	1.7224609572188103	5.260713418555829	6.18125004517901	9.042500970106914
Leu-13C2	0	0	0	0	0.029302222473217128	1.7749783038903928	1.3146520255225196	1.0120147247721922
Leu-13C3	0	1.4368932516531454	1.6532839325408146	1.148908501629564	0.9189403938512267	0.15386467802142303	1.4148627073734465	0.04098491451610405
Leu-13C4	0.2102214210374539	0	0.3379831163204062	0.182016849728007	0	0.21840221127187162	0	0.7104464032408087
Leu-13C5	0	0.016373262819891238	0	0	0	0.6815885808235455	0.5512095252697122	0
Leu-13C6	0	0	0	0.0769245936609392	0.06528748087211586	0	0	0.29167415067556834
Leu-ALL	43.06335932409801	45.98382862432546	49.80995893941142	60.53364604797862	41.95895718153194	60.81406372596237	73.04022732861148	71.46597512749437
Lys-13C0	0.41265207886697663	0.5884139076641873	0.4821750334370597	0.6851165319744581	0.3233570871154373	0.6788629590626758	0.9113419926225171	0.5760595366761543
Lys-13C1	0.07727380050394417	0.0836015156546554	0.04388321652862698	0	0.012778561794811731	0.02725957392002061	0	0.13971405567360298
Lys-13C2	0.022397782973387688	0	0	0	0.024250975215828023	0	0.05244393799638283	0
Lys-13C3	0	0.0037793825875324003	0	0	0	0	0	0.016454932368211262
Lys-13C4	0.028696403473067778	0	0	0	0	0	0	0.04696286749346939
Lys-13C5	0	0	0	0	0	0.039071742674631184	0	0
Lys-13C6	0	0	0	0.0741451049274699	0	0	0	0
Lys-ALL	0.5410200658173763	0.6757948059063751	0.5260582499656867	0.759261636901928	0.3603866241260771	0.7451942756573277	0.9637859306188999	0.7791913922114378
Malate-13C0	7.3642776269920205	3.8419467404074292	3.6594454736027995	4.787795813808895	5.3450598884638465	3.5583354661984163	4.323946662601782	4.158711166273498
Malate-13C1	0.36670571767340565	0.4764575466499317	0.736122253953295	0.5523276678163246	0.09470466821208356	0.7237467609618305	0.6901552004003876	0.8224911208599709
Malate-13C2	0.016774363512256998	1.718975887872425	1.558147592788065	2.0571652044379682	0.11703040457595072	1.5174470341042736	1.759788941174778	1.4951059426129627
Malate-13C3	0.04888611404808883	1.1015323780137907	1.189598818641787	1.392899652916651	0	0.8753354421855876	1.2891674209446904	1.2496819979003404
Malate-13C4	0.012454941402033338	0.36733648145001835	0.4569147289984377	0.7848324528321947	0	0.1970881847118896	0.1979824860155439	0.5350989286209413
Malate-ALL	7.809098763627805	7.506249034393595	7.600228867984384	9.575020791812033	5.556794961251882	6.871952888161998	8.26104071113718	8.261089156267714
Met-13C0	3.8443357147295862	4.192005170218755	4.161653408926043	5.297014845763681	4.338256038642665	6.1182031893117514	7.318025036936244	8.31357552038263
Met-13C1	0.3423595781638943	0.026383652325943353	0.22864892834980646	0.12298735657312956	0.22579260420125347	0.7494776329376863	0.25616808497642685	0.40711030072549964
Met-13C2	0.25880729696540283	0.31746852620774396	0.4019512255210951	0.14082691771904868	0.3097135516487441	0.36974018710556106	0.686585857993773	0.28353075987070986
Met-13C3	0.3176863319195025	0	0.15447484490000113	0.1670836640979321	0.10033264466833207	0.03336747775652472	0.01828262765648785	0.016021508635233692
Met-13C4	0.6436309782931372	0.44707636668399675	0.8188478241399779	1.1026037785757308	0.6695903638691568	0.8405286201066814	1.240168491175291	1.0038357391481822
Met-13C5	0	0.21941419557770986	0.1260528518536809	0	0	0.10241207948739377	0	0
Met-ALL	5.406819900071523	5.202347911014149	5.891629083690603	6.830516562729523	5.643685203030151	8.2137291867056	9.519230098738223	10.024073828762255
OHPro-13C0	5.710704161121283	5.511455589716704	6.169767674219661	7.187181093289899	6.234806792653657	9.015382139060193	9.61636324228276	10.44853886667376
OHPro-13C1	0.5888727136494564	0.352025730940641	0.5934614801462355	0.8581410952905066	0.4942346378855771	0.2561599050701519	0.8875591201790006	0.4517834484672576
OHPro-13C2	0.1726339400013385	0.23423857922333913	0.23121756696428378	0.018226325610890073	0	0.08792182871897829	0	0
OHPro-13C3	0	0.12824128027395898	0	0.06855347579993155	0.0712420533347276	0.04245762224503861	0.08786506969178297	0.050622863067181945
OHPro-13C4	0.00040032535063923655	0.022537777328827505	0.06737225076869459	0.016794607649706986	0.03074017489665085	0.09982485803630757	0	0.04670283025503067
OHPro-13C5	0.11948920241718625	0.013962452896553047	0	0	0	0.005054889295310707	0	0.03716961693328974
OHPro-ALL	6.5921003425399025	6.262461410380023	7.061818972098874	8.148896597640935	6.831023658770612	9.50680124242598	10.591787432153545	11.034817625396519
Orn-13C0	99.01602964556702	51.34127909213538	54.44995218954994	51.6339407265373	80.88920712064701	63.75308640157518	86.9502785917554	68.05036001483433
Orn-13C1	2.17860710557111	0.5827103612596173	5.554770907972889	15.892517348207905	0	7.734564300169105	5.889141372351959	11.632982388726562
Orn-13C2	2.047900049165023	18.645186118523082	25.37493240614346	39.776382021000906	2.398086914543321	26.30479561047735	42.177915148219874	23.928586996664357
Orn-13C3	0	9.409918139487655	9.882058199171691	0	4.301713258933902	3.138953808374669	21.2021128555901	16.014483697107345
Orn-13C4	0.22523141749995124	7.992397689573653	8.278602440420796	12.435840552884777	0	4.654471485990139	2.936286235778484	9.723010722825403
Orn-13C5	0.2095822199942908	3.874815259693224	5.703623067353621	0.8028593664563375	0.10863610576662479	0.8731325404006739	7.894266598791717	2.2725492966916696
Orn-ALL	103.67735043779739	91.84630666067261	109.2439392106124	120.54154001508722	87.69764339989086	106.45900414698713	167.05000080248755	131.62197311684966
Phe-13C0	26.600396368390996	27.439565632214148	29.64127992035798	36.76078261266537	26.797274174959682	36.37760684799689	43.48423482487016	49.30348290069323
Phe-13C1	2.871357403019454	3.47526775043337	2.9482814080132775	3.7415225411651294	3.4817869515105757	4.810823538593785	4.416089921452276	5.904008818379268
Phe-13C2	0.6813820243647201	1.2430401426418405	1.4593659641434715	0.6126798474832846	0.01035234153636699	1.0337299375153304	0.3724040043536097	0
Phe-13C3	0	0	0.08306017407646507	0	0	0	0	0
Phe-13C4	0.13446122550302284	0.11488274405550025	0.10004976867917911	0.7885725937545877	0	0	0	0
Phe-13C5	2.258301684349823	1.0086218685483712	0.8960905301557203	1.766951664388214	1.3613972109457735	1.7886388580700743	1.4728818760662992	7.536038025081706
Phe-13C6	1.0543932846049278	0.8906520402594706	0.6856749647241288	0.19197496588813115	0.7110562747645244	0.9210283701026702	0.6409345156363425	0
Phe-13C7	0.07881224733894514	0.19478638213118077	0	0.5262468280687813	0.22213466187666975	0.10306440211646191	0.12189470691694296	0
Phe-13C8	0.11754260652464993	0.033683386641917626	0.0952735927167877	0.20326128446146247	0.07958220493518198	0.528570225265578	0.10538692798656317	0.1878801227437541
Phe-13C9	0.06462947584366001	0	0.07551536859673785	0	0.0473955163404995	0	0	0
Phe-ALL	33.861276319940195	34.400499946925805	35.98459169146375	44.59199233787496	32.710979336869286	45.56346217966078	50.61382677728219	62.931409866897965
Pro-13C0	12.122730190249252	8.159651847244836	9.649970073564589	10.286870640641308	11.807229135189816	10.78731968173371	13.110332904860062	13.986576260280057
Pro-13C1	0.212397343513855	0.943345372819917	0.6253016100276657	0.879140951925857	0.6634392862728506	0.8632334973075056	0.893354887693312	1.281836051919806
Pro-13C2	0	1.9750130582455634	2.2000004151311683	3.053675466994055	0	2.647568311186549	4.72540019723204	3.6889855205042124
Pro-13C3	0.13700342588594974	1.1947559134697854	1.2682963250043167	1.137805776051764	0.03272961740759443	1.0042048358294184	1.7749389416377732	1.2561811674739154
Pro-13C4	0.28083538533556485	0.4866079732287597	1.3536656295001643	1.6694716076331262	0.04608367647283293	0.7253024074161779	1.3232986438974985	0.9249261949898456
Pro-13C5	0	0.5135331980412846	0.32991745050268645	0.648043490282361	0.08025728827193267	0.6643959599766327	0.5703077335367578	0.5549331906889746
Pro-ALL	12.752966344984621	13.272907363050148	15.42715150373059	17.675007933528473	12.629739003615027	16.692024693449994	22.397633308857444	21.69343838585681
Ser-13C0	21.640504789527185	20.01417193264038	20.174198660716062	20.31734716462864	22.49774309845338	29.369571742519117	33.667593408783695	28.765489524917605
Ser-13C1	1.8311189289000893	0.7681886819009845	1.0445490928224825	1.4815463367156092	0.7412845973664004	0.9781313933037782	4.017107168604339	2.3926247655871657
Ser-13C2	0	0.7344503175278647	0.4024497379860851	0.12888950202150082	0.12731715469168645	0.17259293461887124	0	0.25988338723843124
Ser-13C3	0	0.17393468257539518	0.31412318428469743	0.32465604834153283	0	1.1240417006682308	0.1038201553817071	0.21375790893750635
Ser-ALL	23.471623718427274	21.690745614644626	21.935320675809326	22.252439051707285	23.366344850511467	31.644337771109996	37.78852073276974	31.631755586680708
Succinate-13C0	3.034191157027566	2.6134353430156447	3.107878349225195	4.3435037147638536	2.56451514599049	3.521765818389972	7.013778316311001	4.6230984649735705
Succinate-13C1	0.6024975118294296	0.328594446521832	0.2769541508244921	0.7583244307950414	0.3298121566815746	0.4030833900479583	0.7165161314895011	0.5415053023176186
Succinate-13C2	0.08102555539085612	0.24300138018617437	0.45687528433231	0.27094163918031594	0.10992304905873067	0.38831317194916254	0.6124970451387818	0.552133126349576
Succinate-13C3	0.16283612652478086	0.19512549009280647	0.25234103034490313	0.13421990415822518	0.08009484640327054	0.2505524804360975	0.015879451522521355	0.11581574628968211
Succinate-13C4	0.014042265271273897	0.15099334203750853	0.0230277964726516	0.21738561144498403	0.020292709425869727	0.1254857029747612	0.2402529437954202	0.05211749143488553
Succinate-ALL	3.8945926160439064	3.5311500018539665	4.117076611199551	5.7243753003424205	3.1046379075599355	4.689200563797952	8.598923888257225	5.884670131365333
Thr-13C0	391.4911930940141	347.3061614764023	394.31978832238605	495.62011513901166	411.8947246158516	578.8813521789652	639.1033482854971	632.9260386559064
Thr-13C1	13.658561776034896	31.13686725291445	28.11340477984441	1.619047998429037	10.226265084813676	18.003301670603033	34.21616585223802	41.17565917191776
Thr-13C2	3.875528359317919	2.2561904642937574	0	7.214969306243813	1.8639059899188233	9.306711165054068	6.753520782935597	0.39626432757103847
Thr-13C3	0	1.5327277925139413	0	0	1.9676257145145701	4.130811600540809	0	0
Thr-13C4	0	0	0.1415657868345664	0	0	0.5661609253782995	0	1.0048933747943662
Thr-ALL	409.0252832293669	382.2319469861244	422.57475888906504	504.4541324436845	425.95252140509865	610.8883375405414	680.0730349206707	675.5028555301897
Trp-13C0	1.3113811073913397	1.4111339668537985	3.3924780975851854	4.756269383239821	3.3352020473636452	6.13538064046734	3.8475949021506772	8.980773240669851
Trp-13C1	0.07199688316122439	0.4471803385676706	0.07275012603340979	0.25588620545425456	0	0.1455831118567398	0.5734387093112873	0.44441172155131464
Trp-13C10	0	0	0.22516501459942417	0	0.263775590460293	0.5335534830418358	0.8560772403778991	0.11964186991180899
Trp-13C11	0	0.22916674238798634	0	0.49633912715160683	0	0.4978431918876468	0	0.6375765645453895
Trp-13C2	0	0.16117435512603198	0.30365117885875376	0.00911997752716067	0.055895410854065866	0	0	0
Trp-13C3	0	0	0	0	0	0	0	0
Trp-13C4	0	0.2535555842872032	0	0	0	0	0	0
Trp-13C5	0	0	0	0	0.4056680909792444	0	0	0.3440948539098643
Trp-13C6	0	0	0.42106657762107186	0.3673747972769268	0	0	0.517150531583383	0.3814791259978397
Trp-13C7	0	0	0	0.583620114610786	0	0	0	0
Trp-13C8	2.0061519950186617	1.8414305827356734	1.8552724940852858	3.5211285699104713	2.9003233143035665	1.787627490035653	2.848674842689918	1.35130468540074
Trp-13C9	0.8536379570648217	0.7893445052675375	0.21798500318595662	0.10321473105409167	0.39043606388399593	0.33100006377713087	0.26135038459397364	0.8872822143011323
Trp-ALL	4.243167942636048	5.132986075225902	6.488368491969088	10.09295290622512	7.351300517844811	9.430987981066346	8.904286610707137	13.146564276287942
Tyr-13C0	10.742943884317041	12.062522059517876	11.964538154499303	14.831468595149719	11.119721898961515	16.09033510226121	17.33910168169267	20.203101675056523
Tyr-13C1	1.3489332792591378	1.086637270613592	1.3404231521708458	1.4122844607172913	0.938050693341226	1.4724004949898621	1.8495398209658167	2.4446818990983514
Tyr-13C2	0.20211124995080812	0.22518229259811845	0.10508939309512215	0.4197098937934305	0.10045480934196886	0.22295546369547692	0.07492336596068552	0.4281931067592133
Tyr-13C3	0.01704719034734975	0	0.011312014559376759	0	0.03051692188336032	0.0790033417723085	0.11982180503148658	0
Tyr-13C4	0	0	0.054557060059826024	0	0.06322321442360528	0	0	0
Tyr-13C5	0	0.027412054603061033	0	0	0.01781004819441449	0.034517744147968675	0	0.026371495339698695
Tyr-13C6	0	0.0057561219211764054	0	0	0.002028007478513786	0	0.04239378007515084	0
Tyr-13C7	0.004430816920705434	0.002401376179315021	0	0.0022685758373770476	0.003303448130090227	0	0	0
Tyr-13C8	0	0	0	0	0.025210005472845343	0.022165989787338677	0	0
Tyr-13C9	0.15864607245294346	0	0	0.08375279047764136	0	0.049681008135945004	0.0974957376948639	0.04939226915678508
Tyr-ALL	12.474112493247986	13.40991117543314	13.475919774384474	16.74948431597546	12.30031904722754	17.971059144790114	19.523276191420674	23.151740445410574
Val-13C0	7.174230068149746	7.296836250528502	7.442403320181568	10.247606215887878	6.490820077144325	9.252994495471007	11.616191934625833	13.379645961884231
Val-13C1	0.4006901923639241	0.447384907003521	0.6620196013460479	0.32714511630034343	0.4685829813831973	0.4736784499466387	0.8147279144085716	0
Val-13C2	0.16935931245174402	0.09656485899747069	0.19178758489574432	0.28176697286273666	0.09427817465890277	0.24203325995465647	0	0.30117981785759157
Val-13C3	0.03594356906296195	0.030824279683504464	0	0	0	0	0	0.04100048943466964
Val-13C4	0.028538838666593524	0	0.019967656646218437	0.011457171424777044	0	0.034214274128435807	0	0
Val-13C5	0	0	0	0	0.05976862795055473	0.02468643132382171	0	0
Val-ALL	7.808761980694968	7.871610296212998	8.316178163069578	10.867975476475735	7.11344986113698	10.027606910824561	12.430919849034405	13.721826269176491
a-glycerol-3P_#1-13C0	4.917955157905057	1.8152634364845421	2.458538687976336	2.5151821969676353	3.429613876193945	1.7255032769790801	2.1175026544811737	1.8812884028391328
a-glycerol-3P_#1-13C1	0.061239726760071285	0.04374597089616901	0	0.22519510796867606	0.1968711225305625	0	0.12138130339149063	0
a-glycerol-3P_#1-13C2	0.15788756342582247	0.14076553001383568	0.10189076745479232	0.1612771752336167	0.029078161050217904	0.17305457879676492	0.283096913324585	0.23888501563521322
a-glycerol-3P_#1-13C3	0.07661787790553337	2.214125472456782	2.531710730619441	2.8734556239324696	0.00158201592786664	2.1046418086943444	3.1138046627946623	2.8005212493315135
a-glycerol-3P_#1-ALL	5.213700325996484	4.213900409851329	5.092140186050569	5.775110104102398	3.657145175702592	4.0031996644701895	5.635785533991911	4.92069466780586
a-glycerol-3P_#2-13C0	3.597089739578204	1.445806107791536	1.8256855685911673	1.7154068180499942	2.9543783837034447	1.9129884506307342	1.748768351966008	1.379446008156843
a-glycerol-3P_#2-13C1	0.0792195667394507	0.375736421220576	0.8099614430753923	0.6678353761598146	0	1.0856571239114037	1.119993664246391	0.9887511491749446
a-glycerol-3P_#2-13C2	0.047244246623275275	0.2464429929508825	0	0.1280494278073569	0	0.2763238243434284	0.12099445919234335	0.24659192913585973
a-glycerol-3P_#2-13C3	0	1.6268855650346525	2.0341660448933743	2.086760438277523	0	2.473512953341143	2.5406432217004618	2.5405798957244596
a-glycerol-3P_#2-ALL	3.72355355294093	3.6948710869976473	4.669813056559934	4.598052060294689	2.9543783837034447	5.748482352226709	5.530399697105204	5.1553689821921065
a-ketoglutarate-13C0	2.7358465628780553	1.7791802394204317	2.008470444306028	2.2255565240927426	2.8700958953677462	2.8950616912030256	2.653954695836477	2.433563956050883
a-ketoglutarate-13C1	0.25453643730514114	0.21206616182264743	0.21214101489181264	0.23893888998282553	0.11361248193089542	0.0834573458923703	0.09322855305418805	0.3041488405248306
a-ketoglutarate-13C2	0	0.7270647301053483	0.8080687769757873	0.8471429422335467	0.09948655123164779	0.9931614938597595	0.8911393558627487	1.0885139843564966
a-ketoglutarate-13C3	0.025991654357889075	0.2076734221718026	0.287414928673672	0.31374570076855335	0	0.3353543719017217	0.5378541114295914	0.27765111430251554
a-ketoglutarate-13C4	0.033713702172320184	0.31749822166268704	0.3671270560700342	0.4872228563109818	0.01296090694941962	0.38830323226159014	0.4165011896634576	0.48927366717837
a-ketoglutarate-13C5	0.038640502820847085	0.19091300544698137	0.16245710447943953	0.09595700755113924	0.00826246293416451	0.17999746383303739	0.12586842363415374	0.14726124040895786
a-ketoglutarate-ALL	3.0887288595342532	3.434395780629898	3.845679325396774	4.208563920939789	3.1044182984138735	4.875335598951504	4.718546329480617	4.740412802822054
ascorbate-13C0	0.24341328430078882	0	0.2996454572137362	0.207743512102925	0.15494787160058113	0	0	0
ascorbate-13C1	0.3299775739785604	0	0.05325236069282084	0.3930617926348228	0	0	0	0
ascorbate-13C2	1.979189504822187	0	1.9603010334012725	2.1015133488490583	2.109779636888649	0	0	0
ascorbate-13C3	0.22913875095529623	0	0.40898140292521223	0.4667650606933487	0.3419534630895073	0	0	0
ascorbate-13C4	0.2877438884199412	0	0.2771829898777982	0.7065684653343108	0.437677176613184	0	0	0
ascorbate-13C5	0	0	0	0	0	0	0	0
ascorbate-13C6	0	0	0	0.09829320191969723	0	0	0	0
ascorbate-ALL	3.0694630024767733	0	2.9993632441108398	3.973945381534163	3.0443581481919213	0	0	0
bOHbutyrate-13C0	3.26572059655117	3.795309965084302	4.1647470741425465	5.3389566116438365	3.6307915258785215	4.030616987977818	4.743616497146191	5.84327074968536
bOHbutyrate-13C1	0.24973344281016582	0	0.3537196717046345	0.8467878015346092	0	0.6306684875783235	1.2001024053380327	0.23139676355398717
bOHbutyrate-13C2	0	0	0.22009138365437847	0	0.15964494340994848	0	0.2772129349591233	0.7211950207629069
bOHbutyrate-13C3	0	0	0	0	0	0.23352663977827415	0	0
bOHbutyrate-13C4	0	0	0	0	0	0.31079720828436913	0	0
bOHbutyrate-ALL	3.515454039361336	3.795309965084302	4.73855812950156	6.185744413178446	3.79043646928847	5.205609323618785	6.220931837443347	6.7958625340022545
citrate-13C0	9.766904666191905	1.5700622363219783	1.724620222273509	1.9404778797643332	9.940687229767597	2.0705333068357032	2.813056266282841	2.520908816729843
citrate-13C1	0.3534063693424805	0.48205033014220855	0.31198340881155195	0.39570203636475687	0.6965626298003268	0.6182414658127322	0.7612560810443691	0.7787697375730432
citrate-13C2	0.15675533035336817	3.3171408399842908	3.6275710044515774	4.254087721449408	0.10231889376165822	4.750616772255268	6.091763606224129	6.267922722592415
citrate-13C3	0.013608660866977042	1.0412334971940946	0.9017771501365981	1.328263239277503	0.051362533180346594	0.9742327320318606	1.4681298093411468	1.305899955365951
citrate-13C4	0	1.5216142790318143	1.7714817586417244	1.9390772384010884	0.02197609594353343	2.245680204150597	2.705181591462842	2.2812281290187486
citrate-13C5	0	0.9463443145604238	1.1648219366976367	1.1293428511913184	0.017187761492766164	0.9618490248483134	1.3104099846686972	1.5121027526098725
citrate-13C6	0.0012046778474829722	0.3358801650876427	0.3758525278803627	0.4008368187625945	0	0.4262876608685338	0.5029838089458547	0.522326286627565
citrate-ALL	10.291879704602213	9.214325662322453	9.878108008892962	11.387787785211	10.83009514394623	12.047441166803006	15.652781147969879	15.189158400517437
fumarate-13C0	4.255510931381079	2.689824811557536	2.9280066532961952	3.9016243170159037	4.194023805943833	3.41447429954685	3.7515216726815326	4.272593986258548
fumarate-13C1	0.3120000221599129	0.4901133481814242	0.5242342720402627	0.45292452462995897	0.23526208726046124	0.5763513389089711	0.5957828670430348	0.4398030269415653
fumarate-13C2	0.0906646728431898	0.8899932055668396	1.2155271627512254	1.3529993357296928	0.01636672857487452	1.1204134032160857	1.3497970297981574	1.3017353859807956
fumarate-13C3	0.08822871895516529	0.5541316153903642	0.5553200927575209	0.8192249950159197	0.022814381715262903	0.585555129909936	0.8223841849778568	0.871959151847458
fumarate-13C4	0	0.24054135244759195	0.2419970806698532	0.35172290415535346	0	0.2970067686199763	0.36218207940182523	0.2548580877444609
fumarate-ALL	4.746404345339347	4.864604333143757	5.465085261515058	6.878496076546829	4.468467003494433	5.993800940201819	6.881667833902407	7.1409496387728275
lactate-13C0	111.61971768547032	38.778849975217945	37.00997529395932	51.00332302940083	70.39067179964545	42.868071879224054	69.4279673831464	53.41436932477489
lactate-13C1	2.434951962234078	1.7949956503984497	3.200664831628921	1.1597356603255975	1.663350888160686	2.795612453978646	4.216484042541403	1.2748200038212334
lactate-13C2	0	7.063982697689087	4.086862575991722	9.880082483127518	1.3509828259225443	6.58418125457746	10.415205424245082	8.565803556586332
lactate-13C3	2.412979526928638	71.86717061827069	70.8975184449742	91.91314376263422	1.2837093881345105	61.49558806203953	78.19255282981612	105.15903104686129
lactate-ALL	116.46764917463304	119.50499894157616	115.19502114655415	153.95628493548816	74.6887149018632	113.74345364981968	162.252209679749	168.41402393204373
pyroGlu-13C0	112.63120439086369	84.51384376730392	84.59967225133893	94.34568467022933	91.0551171412341	99.53229481735512	125.4420707506037	111.32214011765555
pyroGlu-13C1	6.2980674739231	6.431014699416676	7.744472338875913	9.675221862995901	4.593896113159686	7.8687112168057585	6.849057483044158	11.739102426217075
pyroGlu-13C2	0	12.408182726948864	11.480266625050255	10.994538217534163	0	12.046683356201127	4.647030034318505	16.476132719570266
pyroGlu-13C3	0	9.654205004239362	9.055281320843028	9.575874334814868	0	14.272523382157756	9.422363737118415	12.0142734707822
pyroGlu-13C4	0.10037146557030945	4.425324491422871	4.964868902421653	6.967804124333622	0.1240544590107971	1.8949120794501437	5.187184198238478	1.0032376901003794
pyroGlu-13C5	0.10212688571380286	1.3953180290294303	1.8156339923063107	2.249314959293202	0.1755147109742895	1.4810291239530267	3.0040592332925615	0.9497399527794224
pyroGlu-ALL	119.1799461558475	119.34575158923181	120.31585017625122	133.80843816920108	96.07240410581086	137.7726727754347	154.55176543661582	153.5046263771049
t-aconitate-13C0	0.24948399776723323	0.0515968710192953	0.057411185232768586	0.08168054417671194	0.23514859838596597	0.11615187243314339	0.07858836346825224	0.09391118162991269
t-aconitate-13C1	0	0.03035914717049375	0.020744516663209246	0.02313028580575843	0.027924688845528785	0.0032771609559295615	0.014003478498665352	0
t-aconitate-13C2	0.012222685119677768	0.09119136530733737	0.06716368005100906	0.0882102033216012	0.028039011343456648	0.23038566304022837	0.13325269902732642	0.15545280720670607
t-aconitate-13C3	0	0.024103140324086714	0.03598416160019287	0.07317825017428775	0	0.12034821356258138	0.052901667829137924	0.04792908147923279
t-aconitate-13C4	0	0.046651922764914776	0.07182747186145151	0.044895864751860165	0	0.061509455326715846	0.07796640024691698	0.09402742438091403
t-aconitate-13C5	0	0.019935432579996016	0.05382242409270577	0.03788492829042934	0	0.05966047311963521	0.042254686629365525	0.05727998954931266
t-aconitate-13C6	0	0.018444594222198202	0.00043960945147702513	0.010916373965616948	0	0.012223482701450275	0.017985675245228913	0.013994606224172965
t-aconitate-ALL	0.261706682886911	0.28228247338832213	0.30739304895281405	0.35989645048626573	0.2911122985749514	0.6035563211396839	0.41695297094489336	0.46259509047025127
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
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
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
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