#METABOLOMICS WORKBENCH huntermoseley_20180831_202505 DATATRACK_ID:1491 STUDY_ID:ST001046 ANALYSIS_ID:AN001710 PROJECT_ID:PR000701
VERSION             	1
CREATED_ON             	September 4, 2018, 12:43 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 (part II)
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 KM20 cells 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_ KM20 NTC _no label Glc_plate; cell_type=KM20; plate_media_tare=28.645; protocol.id=12CGlc_NTC_shRNA; replicate=1; species=Homo sapiens; species_type=Animal; taxonomy_id=9606; lineage_2=1_ KM20 NTC _no label Glc_plate-cells; cell_type=KM20; protocol.id=cell_quench_collection; lineage_3=1_ KM20 NTC _no label Glc_plate-cells-polar-GCMS_A; protocol.id=polar_extraction; replicate=1; type=polar; weight=0.1419; weight%units=g
SUBJECT_SAMPLE_FACTORS           	-	2_ NTC _13C Glc_1	protocol.id:13CGlc_NTC_shRNA	lineage_1=2_ KM20 NTC _13C Glc_1 plate; cell_type=KM20; plate_media_tare=29.285; protocol.id=13CGlc_NTC_shRNA; replicate=2; species=Homo sapiens; species_type=Animal; taxonomy_id=9606; lineage_2=2_ KM20 NTC _13C Glc_1 plate-cells; cell_type=KM20; protocol.id=cell_quench_collection; lineage_3=2_ KM20 NTC _13C Glc_1 plate-cells-polar-GCMS_A; protocol.id=polar_extraction; replicate=1; type=polar; weight=0.1345; weight%units=g
SUBJECT_SAMPLE_FACTORS           	-	3_ NTC _13C Glc_2	protocol.id:13CGlc_NTC_shRNA	lineage_1=3_ KM20 NTC _13C Glc_2 plate; cell_type=KM20; plate_media_tare=28.511; protocol.id=13CGlc_NTC_shRNA; replicate=3; species=Homo sapiens; species_type=Animal; taxonomy_id=9606; lineage_2=3_ KM20 NTC _13C Glc_2 plate-cells; cell_type=KM20; protocol.id=cell_quench_collection; lineage_3=3_ KM20 NTC _13C Glc_2 plate-cells-polar-GCMS_A; protocol.id=polar_extraction; replicate=1; type=polar; weight=0.1409; weight%units=g
SUBJECT_SAMPLE_FACTORS           	-	4_ NTC _13C Glc_3	protocol.id:13CGlc_NTC_shRNA	lineage_1=4_ KM20 NTC _13C Glc_3 plate; cell_type=KM20; plate_media_tare=29.215; protocol.id=13CGlc_NTC_shRNA; replicate=1; species=Homo sapiens; species_type=Animal; taxonomy_id=9606; lineage_2=4_ KM20 NTC _13C Glc_3 plate-cells; cell_type=KM20; protocol.id=cell_quench_collection; lineage_3=4_ KM20 NTC _13C Glc_3 plate-cells-polar-GCMS_A; protocol.id=polar_extraction; replicate=1; type=polar; weight=0.1427; weight%units=g
SUBJECT_SAMPLE_FACTORS           	-	5_ FASNsh_ no label Glc	protocol.id:12CGlc_FASN_shRNA	lineage_1=5_KM20 FASNsh_ no label Glc_plate; cell_type=KM20; plate_media_tare=29.268; protocol.id=12CGlc_FASN_shRNA; replicate=2; species=Homo sapiens; species_type=Animal; taxonomy_id=9606; lineage_2=5_KM20 FASNsh_ no label Glc_plate-cells; cell_type=KM20; protocol.id=cell_quench_collection; lineage_3=5_KM20 FASNsh_ no label Glc_plate-cells-polar-GCMS_A; protocol.id=polar_extraction; replicate=1; type=polar; weight=0.1439; weight%units=g
SUBJECT_SAMPLE_FACTORS           	-	6_ FASNsh _13C Glc_1	protocol.id:13CGlc_FASN_shRNA	lineage_1=6_ KM20 FASNsh _13C Glc_1plate; cell_type=KM20; plate_media_tare=28.608; protocol.id=13CGlc_FASN_shRNA; replicate=3; species=Homo sapiens; species_type=Animal; taxonomy_id=9606; lineage_2=6_ KM20 FASNsh _13C Glc_1plate-cells; cell_type=KM20; protocol.id=cell_quench_collection; lineage_3=6_ KM20 FASNsh _13C Glc_1plate-cells-polar-GCMS_A; protocol.id=polar_extraction; replicate=1; type=polar; weight=0.1444; weight%units=g
SUBJECT_SAMPLE_FACTORS           	-	7_ FASNsh _13C Glc_2	protocol.id:13CGlc_FASN_shRNA	lineage_1=7_ KM20 FASNsh _13C Glc_2plate; cell_type=KM20; plate_media_tare=29.183; protocol.id=13CGlc_FASN_shRNA; replicate=1; species=Homo sapiens; species_type=Animal; taxonomy_id=9606; lineage_2=7_ KM20 FASNsh _13C Glc_2plate-cells; cell_type=KM20; protocol.id=cell_quench_collection; lineage_3=7_ KM20 FASNsh _13C Glc_2plate-cells-polar-GCMS_A; protocol.id=polar_extraction; replicate=1; type=polar; weight=0.1435; weight%units=g
SUBJECT_SAMPLE_FACTORS           	-	8_ FASNsh _13C Glc_3	protocol.id:13CGlc_FASN_shRNA	lineage_1=8_ KM20 FASNsh _13C Glc_3plate; cell_type=KM20; plate_media_tare=28.433; protocol.id=13CGlc_FASN_shRNA; replicate=1; species=Homo sapiens; species_type=Animal; taxonomy_id=9606; lineage_2=8_ KM20 FASNsh _13C Glc_3plate-cells; cell_type=KM20; protocol.id=cell_quench_collection; lineage_3=8_ KM20 FASNsh _13C Glc_3plate-cells-polar-GCMS_A; protocol.id=polar_extraction; replicate=1; type=polar; weight=0.1432; 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	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	42.88237992576529	13.327037599118484	11.285592742495366	38.08155530621322	8.934642219272254	12.723544319032156	9.709321146133936	3.829178139809624
Ala-13C1	1.9304415475281034	0.08245237074218578	1.1439605320930033	2.173195765524685	0.8179084211018021	1.3919502089621614	0.5747658552231721	0.47132133948043925
Ala-13C2	0	1.58842483222332	2.6922129998303217	0.7748893395096486	1.3536361587440913	1.2718257561904438	1.7376694824291352	0.506602408670134
Ala-13C3	0.29661418656194133	25.22798260132036	20.226617325379515	0.08676328459984015	17.952634730184357	21.389860010475804	19.552294513488786	6.971222953658171
Ala-ALL	45.109435659855336	40.225897403404346	35.348383599798204	41.11640369584739	29.058821529302506	36.77718029466057	31.57405099727503	11.778324841618367
Arg-13C0	4.865162492204024	7.156182846018725	5.069231072874845	6.5067026887727435	7.2416354730753385	11.613632283140003	5.213243298451734	1.36830618373225
Arg-13C1	1.4449009012288625	1.08544628730916	0.4254320045564397	1.118239170139203	1.5371179648487028	1.5303254285602943	1.7919647799036589	0.46392637976637274
Arg-13C2	0.14027899922332016	0.29640090817275444	0.36259812942619213	0	0	0.30593478328757057	1.7379416060791664	0.32025791317239816
Arg-13C3	0.039349377464065735	0.15033806785160744	0.02438994214121465	0.0502329209173766	0.20846029620663406	0.28411991902069145	0.12397650935357485	0.008118736411277335
Arg-13C4	0	0	0	0	0	0.11767732613741969	0	0
Arg-13C5	0	0	0	0	0	0	0	0
Arg-13C6	0	0	0	0	0	0.2629474083670764	0	0
Arg-ALL	6.489691770120273	8.688368109352247	5.881651148998691	7.675174779829323	8.987213734130677	14.114637148513054	8.867126193788135	2.1606092130822985
Asn-13C0	3.9874309612129446	3.3248217916858893	2.301402769558668	5.282507086145573	2.9094203344965033	3.4927648124695088	3.140117460789535	0.4052137113143113
Asn-13C1	0.29699925095986635	0	0.46829285914723956	0	0.46942632468695694	0.4353854446562227	0.19939742190431212	0.04288448485867226
Asn-13C2	0.10652582790681762	0.6074812536679923	0.5600475051023627	0.02370221606857201	0.6668397953552283	0.8095558611935226	0.6738704156076656	0.051969085279707866
Asn-13C3	0	0.3355033863981932	0.14822183419050142	0.08477125487140315	0.10677003612458448	0.2054434694522891	0.4721883173836159	0.01899994210634987
Asn-13C4	0	0	0.03923689306675033	0	0.1479359637456139	0.02433203685137704	0.2052779687811889	0.03399640862804116
Asn-ALL	4.390956040079629	4.267806431752075	3.5172018610655216	5.390980557085548	4.300392454408886	4.967481624622921	4.6908515844663174	0.5530636321870825
Asp-13C0	125.11105667673428	70.76687555531277	75.81746632649318	129.56398563112265	64.9231730777222	65.94216188041452	59.3067213573573	13.694777625187672
Asp-13C1	7.13713121750745	10.488971366466382	11.365738182238415	6.884049232059152	9.971214175888315	8.8181878348032	10.378832866256488	1.907256090937713
Asp-13C2	0	22.56519932880185	21.841189329724937	1.7588997749045807	19.559971608254642	16.60745748393751	18.248224915521057	4.1350744303428915
Asp-13C3	1.0843495047731992	9.267002240164324	8.311027295745332	0	9.148874243516241	8.635524718940466	9.039072453996386	1.7968528964798496
Asp-13C4	0	1.6338255056384916	3.8943253159797178	0.10466340885974117	3.3291760328350297	3.6674783898583434	0.9066310507204787	0.5026015414826871
Asp-ALL	133.33253739901494	114.72187399638383	121.22974645018158	138.31159804694613	106.93240913821644	103.67081030795403	97.87948264385172	22.03656258443081
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	11.001375012286296	7.53356493592289	7.577855782729073	13.537191184880122	12.316762343356954	12.49494127485787	12.467435746939282	2.1426341293223268
GAB-13C1	0.9864973462458007	0.7137054347473794	0.7964780905227923	1.1998801539488326	0.4929506712115681	0.3794421435371037	0.6910247908934892	0.16549950771315305
GAB-13C2	0.04079933594010238	0.3289418648837287	0.32626541012232446	0.1135995860273452	0.5982731798960612	0.8044199339417281	0.8556098337619872	0.42192158033269994
GAB-13C3	0	0.2556514008540534	0.26601238873832944	0.35839457093428045	0.41136199933118667	0.24007680508270976	0.021811804300097222	0
GAB-13C4	0	0.07315372852722152	0.06432993596478409	0	0	0	0	0
GAB-ALL	12.028671694472198	8.905017364935274	9.030941608077304	15.209065495790579	13.81934819379577	13.918880157419412	14.035882175894857	2.7300552173681796
Gln-13C0	406.6008404696332	394.79979454035794	382.99523180191864	451.23939175987346	368.74998796536096	434.2772360193825	349.07671712592116	67.9829904239934
Gln-13C1	23.66504682698111	17.58918712502392	21.242018877836177	25.886528524317924	25.894859191545194	16.582644407292094	22.576538201483142	4.193546481398042
Gln-13C2	0.04852376492940208	4.74885405909903	0	0	0.6062611049976862	10.464070768598631	0.6941957517028372	1.4515207682870404
Gln-13C3	0.4901760665769899	0	0.5469696658360436	0	1.3577801595932635	0.26647791020089295	1.5359816418735939	0
Gln-13C4	0	1.7310103629376428	1.491694050629708	1.061064494375506	1.357865914811004	0	0.6559814731995223	0
Gln-13C5	0.08906797184706952	0.31253770257704067	0.5922863119232858	0	0	0.4068653544971151	0.40398860631861455	0.1554985868825492
Gln-ALL	430.89365509996776	419.18138378999555	406.86820070814383	478.18698477856685	397.96675433630816	461.9972944599712	374.94340280049886	73.78355626056103
Glu-13C0	398.28011540243136	247.31321298886417	226.90580461385625	433.7864160570179	224.62014383247708	246.1451022383918	224.39718771726785	47.453656370353464
Glu-13C1	24.325863152839123	29.592134285920416	36.52939225969855	23.817027224245585	34.282177605863694	25.312445347586024	38.64694405542775	7.271434082867078
Glu-13C2	6.507862960638029	81.59599484326844	82.6440324847725	12.488695700312038	72.23938848196059	81.4373489221937	81.04821618015458	16.585640267784274
Glu-13C3	2.261939671338132	33.28451746676832	30.191894113294	0	30.286749402528596	37.00438615673033	23.785886144059226	6.012315844245163
Glu-13C4	0	25.553054079142562	20.413457825398442	0	13.24315210424817	18.130251329786738	23.171745349553213	4.649021521087824
Glu-13C5	0.6929335249868782	3.342555097277091	6.061663432179467	0.26443808679748604	5.511737132627763	6.206988908988438	2.750444376555325	1.1150461698383118
Glu-ALL	432.06871471223354	420.681468761241	402.74624472919913	470.35657706837304	380.1833485597059	414.23652290367704	393.800423823018	83.08711425617611
Gly-13C0	18.46187148602819	19.118328881135668	16.177079078442283	23.20435836865624	17.505224555573466	18.687175606595567	16.4596251013199	7.235362757280154
Gly-13C1	0.9458389276816017	0.6972044830540214	0.42634865150798784	1.099469127584944	0.6103191284809744	0.8968353554429936	0.929264002751401	0.2927102916318454
Gly-13C2	0	0.7670712563870993	1.3296493724647156	0.3808076048045864	1.1104747332413711	1.0763194751904765	1.342483785455852	0.5220549091749856
Gly-ALL	19.407710413709793	20.582604620576788	17.933077102414984	24.68463510104577	19.226018417295812	20.66033043722904	18.731372889527155	8.050127958086986
His-13C0	5.285815062132244	0	0	2.886178240785815	3.3160645341693997	5.0828926678696185	3.037269609053978	0
His-13C1	5.606760249875887	0	0	0	1.5014984388356638	0	0	0
His-13C2	0	0	0	0	1.3008532001742126	2.6397110178161545	2.122206444320271	0
His-13C3	2.3897728604932835	0	0	0	2.482885904465551	0	4.872462915944304	0
His-13C4	0	0	0	0	0	0	0.6059853747225413	0
His-13C5	0	0	0	4.253163608673156	5.016545002027836	0	0	0
His-13C6	2.283786543146531	0	0	2.223758317610734	2.221335783631957	0	0	0
His-ALL	15.566134715647946	0	0	9.363100167069705	15.839182863304622	7.7226036856857725	10.637924344041094	0
Ile-13C0	40.89855771816605	41.78543385864053	37.80227221006819	48.2099277464199	40.837339528081	49.483968375790504	40.68346372749687	12.015788404866823
Ile-13C1	2.4136003200664295	2.3264427691104212	2.481705105531387	2.8000919486204174	2.229234951095795	4.885702235340083	3.671484889761664	0.8726907645369062
Ile-13C2	0.0634163240871416	0.617590291559468	0.2924149442017865	0	0.005587562320829128	0.3977470216615598	0	0.11024672694304347
Ile-13C3	0.1902370655111879	0.09763228806653981	0.6948224022814825	0.09114165991834881	0.14476249544274206	0.6335716281956313	0.23789617094610094	0
Ile-13C4	0	0.18241962949287754	0	0.3813190225741083	0.2594569084956995	0	0.36227648003022406	0.11396848478400025
Ile-13C5	0.1875887551778091	0	0	0	0	0.41620703286624144	0	0.03485600303303773
Ile-13C6	0	0.0882186880279002	0.2781761619473006	0	0	0.0406007588660388	0	0
Ile-ALL	43.75340018300862	45.09773752489774	41.54939082403015	51.48248037753278	43.47638144543607	55.85779705272006	44.95512126823486	13.14755038416381
Leu-13C0	41.54978553484692	40.54047141934036	36.88953841476485	43.359773700399224	35.85102847372131	43.19250653681367	31.76483823140392	11.923288337799068
Leu-13C1	0.4338355511388365	3.241783291930376	3.453081465436234	2.268878788898571	3.8021447840920524	1.8825336846897165	3.601336938980664	1.4547301631916592
Leu-13C2	0.3478404676179169	0.33408556349210694	0.3221466047658155	1.6066767793190377	0.23738034982157313	0	0.46873520618416964	0
Leu-13C3	1.0044039627952372	1.5481533261233076	0.9520338525353549	1.953564242160537	0.7160852827245164	1.5690913895392844	0	0.053914588136644716
Leu-13C4	0	0.3686299264433761	0.448936460632787	0.04516446539577633	0.20738561348792361	0.6018661592853108	0.19073818277305046	0.2493769680344769
Leu-13C5	0.3440824839055339	0	0	0	0	0	0	0.07417559786349198
Leu-13C6	0	0	0	0.12067825264240983	0	0	0	0
Leu-ALL	43.679948000304435	46.03312352732953	42.06573679813504	49.354736228815554	40.814024503847364	47.245997770327975	36.02564855934181	13.75548565502534
Lys-13C0	0.5557577502054155	0.48489214695252875	0.5604930962565834	0.7062374847712257	0.6136848557375233	0.605080927107961	0.6328376189575162	0.1207158406615061
Lys-13C1	0.15795634600939384	0.07310662379174274	0.1428462545949418	0.022499383296904055	0.11901518474512579	0	0.08646796110948463	0.012182123652422465
Lys-13C2	0.018712392513519676	0.06391750191285692	0.004357023102191054	0.05436590572781588	0	0.034552217490102365	0.03731151676101054	0.02691801857599919
Lys-13C3	0	0	0.007725771144509146	0	0	0.05538491516273498	0	0
Lys-13C4	0	0.028873179454843256	0	0	0.03162480331185608	0	0	0
Lys-13C5	0	0	0	0	0	0	0	0
Lys-13C6	0	0	0	0	0	0	0	0
Lys-ALL	0.732426488728329	0.6507894521119717	0.7154221450982254	0.7831027737959456	0.7643248437945053	0.6950180597607984	0.7566170968280114	0.15981598288992774
Malate-13C0	8.26150648514481	6.140785872544207	5.4822777460650265	8.55902055273415	4.4032189566227835	4.7890246342087766	4.397617853958558	3.6700606279000403
Malate-13C1	0.5103137130960775	0.8333198617703679	1.1834435278126185	0.33078218770823276	0.7157108552827267	1.133289606655828	0.512055869875665	0.40439353679668516
Malate-13C2	0.05006497515422769	1.9403786664994118	1.8413431376289107	0	1.1904379825297997	1.5149831497877553	1.6352199173365891	1.177409649418999
Malate-13C3	0	0.9319944140362572	0.7279710211754566	0	0.6667475631458639	0.5173508541856633	0.42547282083319005	0.4649397074371338
Malate-13C4	0.019526568461878658	0.09383080319407328	0.1602987516168929	0.020512608215110854	0.18583995879040516	0.16754632556247206	0.11025562054872441	0.06759468157785224
Malate-ALL	8.841411741856996	9.940309618044317	9.395334184298905	8.910315348657493	7.1619553163715794	8.122194570400495	7.080622082552727	5.784398203130711
Met-13C0	2.872095217817569	2.6694363448353724	2.9396836381150493	3.2705240803936317	2.8012230211248528	3.392034898989771	2.079438425852483	0.8359628690743811
Met-13C1	0.214122704984295	0.20481568174445108	0	0.19071799190010175	0.34641864289311725	0.2672535166438539	0.31452513607132987	0.15397068873435904
Met-13C2	0.1300446076332456	0.22580928427867095	0.28930290488777716	0.22051006853279137	0.22004356632412486	0.15006662221156378	0.18589902177870815	0.056457112512342894
Met-13C3	0.03234255816433853	0.09860334535773631	0	0.019233309828442183	0.012054979465518678	0.020202294143988064	0.030914605570991082	0
Met-13C4	0.2508277940902804	0.09349038991865177	0.09911668661218917	0.10624551092167751	0.1228899594359707	0.09002413513442321	0.08700621459714619	0.04521073242014943
Met-13C5	0.03877085409978934	0.042949469500533716	0.1250863404675276	0.06952908281905955	0.08451962806334691	0.05560290159571583	0.08800248875648324	0.015362939062510357
Met-ALL	3.5382037367895185	3.335104515635416	3.4531895700825435	3.876760044395704	3.5871497973069313	3.9751843687193156	2.785785892627142	1.1069643418037427
OHPro-13C0	2.2367739750638944	2.3230914052627876	2.499197094395668	2.9491515276431226	2.538724709830401	2.370878750503731	2.5453327369325605	0.4672170578003753
OHPro-13C1	0.17860680610508953	0.2740082718437761	0.11642191922784735	0.309329663487583	0.01951409415307087	0.21787756107108616	0.22804869908972564	0
OHPro-13C2	0.22130157438528	0.19532532252683255	0	0.06796340877656946	0.03920557002780511	0.1612685210694486	0.047581199317157694	0.024986776842919212
OHPro-13C3	0.02585181979160311	0	0.142515666223099	0.016131324718957455	0.04088443974503609	0.13049794397008174	0.03355065907815117	0.020881257153645454
OHPro-13C4	0	0.020775417949489377	0	0	0	0	0.030873544319049952	0.003745922407655036
OHPro-13C5	0	0	0.05433261983509349	0	0	0	0	0.0069128498569677455
OHPro-ALL	2.662534175345867	2.8132004175828853	2.8124672996817077	3.3425759246262325	2.6383288137563126	2.8805227766143475	2.8853868387366446	0.5237438640615627
Orn-13C0	0.2559735615121644	0.5698062628884817	0	0.669192591665764	0.8731282853860383	0	0.584108430903092	6.0756976546263
Orn-13C1	0	0	0	0.11772723383429927	0	0	0	0
Orn-13C2	0.2999516194653004	0	0	0	0.3306891158904165	0	0.22158126919828236	0
Orn-13C3	0.4128828371268641	0	0	0.2780221941273308	0.08628586233336982	0	0.41271912140942946	0
Orn-13C4	0	0	0	0.1825045034529547	0.14905680302839766	0	0	0.05935570765414678
Orn-13C5	0.2637993442916269	0	0	0	0	0	0.18778430043190225	0.12792939668770248
Orn-ALL	1.2326073623959557	0.5698062628884817	0	1.2474465230803486	1.439160066638222	0	1.406193121942706	6.262982758968149
Phe-13C0	27.83933427090514	29.569425896146075	24.90892807506878	29.540261354714293	26.63064341600843	32.967765904205145	23.6851389206166	6.269035761603857
Phe-13C1	3.088677666989901	2.583050086696602	3.4617125060839453	2.7909794751964094	2.552810158135115	4.136493432076821	2.7771157164517204	0.8495932391617358
Phe-13C2	1.1226059036909435	0	0	1.399019361460079	0.46181054520321396	0.5947236224465929	1.0586303692177537	0.11295252042961125
Phe-13C3	0.5850276416100755	1.0378072317809293	0.9320229583263835	0.9994392384436138	1.04807508890088	0.9966130702168283	0.9172844799920111	0
Phe-13C4	0.13256410114828096	0	0	0	0	0.040940844045708	0	0.14163166202371047
Phe-13C5	1.7576147941132771	2.0422877296630713	0.9833479121613679	2.4424687993297964	1.576185440634751	1.9992908119097583	1.942493828036459	0.4096820586077564
Phe-13C6	0.03264567503987345	0.7332517236595312	0.17587859682877346	0.5532156931367761	0.20716751944146172	0.1063869314026149	0.6571537711987167	0.04028402040985473
Phe-13C7	0.18520902624838592	0.15683122770715682	0.3108753446679893	0	0.1933328061213247	0.17541054170963527	0.3809313692946379	0
Phe-13C8	0.14693328743016468	0.08194858104720992	0	0.10382431738479635	0.3173326762051883	0	0	0.0473638456084962
Phe-13C9	0.20880649581746227	0.1339472688651168	0	0	0.05626240239408719	0.25183379733469063	0.08603367212905418	0
Phe-ALL	35.09941886299352	36.338549745565686	30.772765393137234	37.82920823966577	33.04362005304446	41.2694589553478	31.504782126936952	7.870543107845021
Pro-13C0	22.008776722653156	14.6517306847129	13.180806788619957	24.82457479755052	13.378066401589567	14.760551905315495	14.295265607868739	4.980145201771534
Pro-13C1	1.89230505869186	1.6211576550838422	2.49468537702602	1.506666747815786	1.8057833600125055	1.818376957228915	1.4346818680571765	0.687468695761586
Pro-13C2	1.0446522260451199	3.793840587848562	4.446151911273033	0.765082586584205	4.609022305822331	4.617333292774513	4.930137056402171	1.6314004562266318
Pro-13C3	0	1.3198932393713432	0.9979034203267289	0	0.7230820084457455	1.1118688958193252	0.5792311087640322	0.4439260716788362
Pro-13C4	0.3028259600050083	0.7151555060780691	0.5469882600434077	0.04935398631780647	0.5796447890027391	1.4260209474938832	1.0057483245337655	0.26885705073826455
Pro-13C5	0.04044097205833571	0.22620076126439267	0.8778647315973674	0.048921713580790026	0.3474128980686137	0.32837748629662084	0.445671135407056	0.1569909973544486
Pro-ALL	25.28900093945348	22.327978434359114	22.544400488886513	27.19459983184911	21.443011762941506	24.06252948492875	22.69073510103294	8.1687884735313
Ser-13C0	17.371559826543837	15.834611541662607	14.296717144452096	18.767211937741752	13.452669973434075	14.999719678381352	12.180081748954718	3.913983849848957
Ser-13C1	0.773496064266288	1.9542972591519518	1.9835291414008025	0.3811637169315789	0.7764577121759395	1.388526876528415	1.081485580987826	0.2431430878301506
Ser-13C2	0	0.6052008011434946	0.4947542108905541	0.06396724909379341	0.7375228511827467	0.8997713293439051	0.44594323494597504	0.13464305275767033
Ser-13C3	0.256575634204389	0.93252774039493	0.811293569262557	0.21750280986290446	0.3834098862364747	0.6353895466083457	0.726472831101769	0.29349194112479515
Ser-ALL	18.401631525014515	19.32663734235299	17.58629406600601	19.429845713630026	15.350060423029237	17.923407430862017	14.433983395990289	4.585261931561574
Succinate-13C0	3.0745530784606063	4.655513076149651	3.6471050890285	3.932999185163395	3.3686901248905134	5.404043280390783	3.8135663371237043	2.3342385456695336
Succinate-13C1	0.3415174433606335	0.37192206214163775	0.41181632502765475	0.377942572415766	0.4815149446673825	0.6763355719729709	0.2647554649136794	0.3927904469733796
Succinate-13C2	0.259757947870026	0.36285430226939097	0.35099261947756516	0.18770883534326918	0.35873676103252905	0.2735675791367092	0.3494621082015648	0.11401898540727941
Succinate-13C3	0.06600858560109697	0.13666332669448814	0.0418609677535853	0.017760392359203642	0.10262061239312202	0.0957353664688705	0.14537544834170912	0.1598611368680295
Succinate-13C4	0.03299229781921322	0.21009018393011794	0.2401413530213221	0	0	0.19140768411318604	0	0.012761434849403983
Succinate-ALL	3.7748293531115764	5.737042951185287	4.691916354308627	4.516410985281634	4.311562442983547	6.641089482082521	4.573159358580658	3.0136705497676264
Thr-13C0	209.66528204398136	200.4147464728144	183.56397835269436	236.23196075735547	177.10326125260246	200.73912378315148	190.28802412729172	27.1596911938463
Thr-13C1	11.868261546196555	5.021218242801749	10.832594379062977	6.6963714127129474	6.042947340258332	11.662263883438142	1.86862929404691	1.9828516664349503
Thr-13C2	0	2.360534175178723	1.0656961020403402	0	0	0	0.15046674326505072	0
Thr-13C3	0	0.6828338930267374	0.8203880854851571	0	0.2623146818694802	0.05318242924747382	0.9850085566283067	0.051553342104227386
Thr-13C4	0	0	0	0	0.16298409381940718	0.09722461976195643	0.011400575196070472	0
Thr-ALL	221.5335435901779	208.47933278382158	196.28265691928283	242.92833217006842	183.57150736854967	212.55179471559904	193.30352929642805	29.194096202385477
Trp-13C0	1.4875794178055481	1.349969554869968	1.0378367871282683	1.152205587360258	1.1182085452682808	1.586620612115929	1.2948068039089182	0
Trp-13C1	0.212715838134629	0.24879232038463855	0	0.13999882777866768	0.01776928956126956	0.03406014839168549	0.28377921148555707	0
Trp-13C10	0.3473908633548178	0.10225980893683648	1.1132262348098063	0.3707845634292395	0.2832982978979949	0.3271345804035158	0.40659522518166596	0
Trp-13C11	0.2045282299872871	0	0	0.23053009420238274	0.2613763054284826	0.21329832163713022	0.098309462115437	0
Trp-13C2	0.0863811670322408	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	0.33292969850676496	0.2995882577614239	0.37343101823244584	0	0
Trp-13C7	0	0.2564245907118702	0	0	0.17648885636288228	0.18945388037173147	0	0
Trp-13C8	0.3626134820342246	1.1981861558178193	1.0549785816317125	1.299468611201169	1.651643831939272	2.246868874430748	1.5240713510306212	0
Trp-13C9	1.1325322046210782	0.43633859593126545	0.932499862812283	0.5411304518365287	0.11968290119390802	0.07011242003835365	0.38509815183064255	0
Trp-ALL	3.8337412029698257	3.5919710266523976	4.13854146638207	4.0670478343150105	3.9280562854135144	5.040979855621539	3.9926602055528417	0
Tyr-13C0	10.045574057221634	9.526350009616525	9.381198961858459	10.850495254046587	9.06694846475786	10.951928295563789	8.470710959192594	1.7566211809720296
Tyr-13C1	0.8016914189970153	0.9308504091196399	0.751976259543117	0.7247864036883943	0.9921858351183717	1.182771978904671	0.8299106680581356	0.09955817355383202
Tyr-13C2	0.14630486977095197	0	0.11000490228023711	0.08907936249863976	0.1657959148702249	0.1290507864959528	0.14946007748079693	0.028721890526749685
Tyr-13C3	0	0	0.017146035816244694	0.12868993619318553	0.0782923121317711	0	0.030978424751708027	0.0181723060799683
Tyr-13C4	0	0.06486459732252338	0	0.015506681187442747	0	0.07035567430785014	0	0.0018011304770465808
Tyr-13C5	0.054935828555381094	0	0.03974670305445098	0	0	0.017720232021886224	0	0.011395138374042131
Tyr-13C6	0.008961354334656295	0.034877195726824524	0.016480857468577352	0.06427434414634654	0.03321386380835472	0	0	0.006475321583459035
Tyr-13C7	0	0	0.0027245489221017763	0.003187080721056573	0.0027265396153561775	0.002962095134029587	0	0.0006919030962710788
Tyr-13C8	0	0	0	0	0	0.024395732552764872	0.03757893124221922	0.007383551816320346
Tyr-13C9	0.021045253419575968	0.046745126444115645	0	0	0.04075272550524015	0	0	0.013680238322505745
Tyr-ALL	11.078512782299216	10.603687338229628	10.319278268943187	11.876019062481651	10.379915655807178	12.379184794980944	9.518639060725453	1.9445008348022244
Val-13C0	6.286542489881096	6.470072581262211	6.331013517119294	7.117378766668145	5.890175740926192	8.827202565479984	6.525111070336602	2.2130676315141384
Val-13C1	0.3837548503105819	0.6844693647245657	0.3728426760473343	0.6608481386394605	0.5646534566094582	0.5485967227743135	0.1948960914363011	0.17786757989401933
Val-13C2	0.1119504354629413	0.09105265359369226	0	0.5549205051506798	0.15682702232460619	0.18988289656321147	0.16822618495181074	0.014950473830797482
Val-13C3	0.016844151193990506	0	0.05948430372141337	0	0	0.09473467887959139	0.030180910746864548	0.0049415271764065025
Val-13C4	0.03214848399676125	0	0	0.02753700630135852	0	0	0.006020615687287458	0.003659492112318035
Val-13C5	0	0	0	0	0	0	0.03320563324071332	0.01529346950113294
Val-ALL	6.831240410845371	7.245594599580469	6.763340496888041	8.360684416759645	6.611656219860256	9.660416863697101	6.957640506399579	2.4297801740288127
a-glycerol-3P_#1-0	0.8909195689749855
a-glycerol-3P_#1-13C0	19.90882067644354	18.73412236484127	29.59855475809355	18.10678689141095	17.913693326779377	19.271879649564205	11.158945084924804
a-glycerol-3P_#1-13C1	11.577059777703983	0.3559066237579228	0	0.021621559798643667	0	0.6787415363710962	0	0.31991008960309897
a-glycerol-3P_#1-13C2	1.4224376307325475	0.42280953885516726	0	0.8533245535339002	0	0.6801421397944215	0.3059127695324106	0.3632280533388668
a-glycerol-3P_#1-13C3	0	6.987090662731346	6.478303899093111	0	5.702458360554793	5.606312584827062	7.561539933563853	3.5994777766503505
a-glycerol-3P_#1-ALL	13.890416977411515	27.674627501787974	25.212426263934383	30.47350087142609	23.809245251965745	24.87888958777196	27.13933235266047	15.44156100451712
a-glycerol-3P_#2-13C0	18.340336428589367	12.253157211961907	12.651510450297211	23.7189661361958	12.343543279287111	11.710470329033573	14.81989246031034	6.500679926935106
a-glycerol-3P_#2-13C1	0.9250793709338421	2.4727975156588826	1.9069582757599417	0	2.776810364359672	3.0873427015300705	2.7663495654165122	0.7471305671411652
a-glycerol-3P_#2-13C2	0	0.4735071006427701	0.707204471218103	0	0.588886581098173	0.200949746400126	0.4454148539513056	0.12567584257126244
a-glycerol-3P_#2-13C3	0.2168514307113559	4.70923584037651	4.4073970200032555	0.08997469545101498	4.044865521489196	4.829552296625416	4.449191774224138	2.3629606158319554
a-glycerol-3P_#2-ALL	19.482267230234566	19.90869766864007	19.673070217278514	23.808940831646815	19.754105746234153	19.828315073589184	22.4808486539023	9.73644695247949
a-ketoglutarate-13C0	0.48140544517423156	0.37591307555356424	0.28082452298523736	0.6470831216407573	0.4322180897371258	0.4990390816045311	0.31300154171808636	0.4022573837253759
a-ketoglutarate-13C1	0.05514092747570117	0.025040655610130743	0.060696348170133994	0.05401280957713794	0.0631180370318062	0.061666624202033615	0.05787394984316315	0.030544044462088145
a-ketoglutarate-13C2	0.03192647253653106	0.13614635099267908	0.12196882088417228	0.05042015236627837	0.1559057666653835	0.21664435676561597	0.11249354078989991	0.15829958816725173
a-ketoglutarate-13C3	0	0.03314105918170444	0.0089232176212488	0	0.05767816107415699	0.02410179959870016	0.03283699238953312	0
a-ketoglutarate-13C4	0.03130394593017971	0.07104772044301098	0.09074307702274546	0	0.10914634733688736	0.07064445774672247	0.09895662280623875	0.1291625439722336
a-ketoglutarate-13C5	0	0	0.02616138458611603	0	0	0.042414248538544565	0.032746805043349585	0
a-ketoglutarate-ALL	0.5997767911166435	0.6412888617810895	0.5893173712696539	0.7515160835841737	0.8180664018453598	0.914510568456148	0.6479094525902709	0.7202635603269494
ascorbate-13C0	0.520396772315907	0.2711830088550891	0.4553918433574559	0.1992812672772133	0.2387652238151988	0	0	0.5382154064382512
ascorbate-13C1	0.265283513988333	0.1784528372481607	0	0.24243316975129975	0	0	0	0.11614030636618423
ascorbate-13C2	1.58871890512554	1.6078437778646641	1.6057696459192539	1.7739624367811326	1.580211639829341	0	0	0.41870531073076755
ascorbate-13C3	0.2560564559397857	0.5813328109215943	0.37454632901873347	0.5018975877549816	0.13614391155960787	0	0	0
ascorbate-13C4	0.5222759516490431	0.4090490027490381	0.3167485218192049	0.42436171119811444	0.4701242934728813	0	0	0.11145203397752904
ascorbate-13C5	0.03721683408872213	0	0.1870699214663274	0.056876429781968725	0	0	0	0.06052648964108659
ascorbate-13C6	0.002110092585113025	0.09013328726315877	0	0	0.18607865602446858	0	0	0
ascorbate-ALL	3.1920585256924436	3.137994724901705	2.9395262615809754	3.1988126025447103	2.6113237247014975	0	0	1.2450395471538187
bOHbutyrate-13C0	4.9903986865955785	5.663877999188782	5.001799473674435	5.395796281521205	4.535731513358999	5.269202294409403	4.167543942311774	0.19734642884939763
bOHbutyrate-13C1	0.30413953392318854	0.5926064638363014	0.509780038222351	0.281324095536432	0.3367909070989902	0.3510115469968841	0.13099531470838394	0
bOHbutyrate-13C2	0.014281198258451531	0.12662282881435127	0.06607166533242419	0	0.1192918307661901	0.16324453443185444	0	0
bOHbutyrate-13C3	0	0	0	0	0	0	0	0
bOHbutyrate-13C4	0	0	0	0	0	0	0	0
bOHbutyrate-ALL	5.308819418777219	6.383107291839435	5.5776511772292094	5.677120377057637	4.991814251224179	5.783458375838141	4.298539257020158	0.19734642884939763
citrate-13C0	10.013533914264515	2.848519340793866	2.6937750203605466	13.987886257733358	3.231539964608685	3.9764427176568606	3.555136485232743	2.055419324683191
citrate-13C1	0.40366245537633044	0.795711383849678	0.7767937116557013	1.0356348962168351	0.9427331249053528	0.8413872585178175	0.7242299918711185	0.45385766571748937
citrate-13C2	0	3.8406040387167395	4.01280808247179	0.14928062091080757	4.683410444767965	4.981401060789628	4.825082864984027	2.9204732697096842
citrate-13C3	0.07579390410509225	1.0632856247053035	0.7777975870271934	0.10005724979883088	1.0272751032263627	1.438199851991336	1.1074375020864207	0.4277554181004366
citrate-13C4	0.04658071948966104	1.1455162706627031	1.223986690430274	0.04446601675278929	1.6884496375693716	1.390950294411093	1.3373376802523675	0.7777293412289359
citrate-13C5	0.02209604238444994	0.5392481092252652	0.4611615703831739	0	0.4408954498814762	0.980242379572926	0.7565804568926146	0.30970359931459646
citrate-13C6	0.022659865139154797	0.14448456261123885	0.08240993887905942	0	0.0062039529204681336	0	0.1094781982446693	0.12511082324676823
citrate-ALL	10.584326900759203	10.377369330564797	10.02873260120774	15.317325041412621	12.020507677879682	13.608623562939663	12.415283179563962	7.0700494420011015
fumarate-13C0	5.810450237882065	4.059027207804322	3.7611823979318992	5.954579510980022	3.4227028347750315	4.351547040837889	3.94999362401925	2.352354376927619
fumarate-13C1	0.35172908005328524	0.5776256224610944	0.6820417853539216	0.4052507486191007	0.7080073419811453	0.42131671807045473	0.5806724857101998	0.2944507577090906
fumarate-13C2	0.03909435649793962	1.109591666483292	1.194760859693221	0.18703667797014073	0.923661558428647	1.1080940060822733	1.1097559962393144	0.575359650207635
fumarate-13C3	0.1246477003536987	0.5107272800152934	0.46500375466226224	0.046950174816083524	0.40467232259697783	0.5276413984976447	0.4200203479053058	0.25692113211329193
fumarate-13C4	0.033958395221145875	0.1400279527720055	0.06489148388331263	0.04156637477623673	0.12229569354510324	0.11536718782695737	0.1359091684223557	0.07882491397624868
fumarate-ALL	6.359879770008135	6.396999729536008	6.167880281524616	6.635383487161583	5.5813397513269045	6.523966351315219	6.196351622296425	3.557910830933885
lactate-13C0	72.21553309929504	59.81872307144259	46.89607588275333	75.18849326868742	43.56379476145572	52.55216750896267	31.397300881040085	37.41606537851282
lactate-13C1	3.6490490416174985	2.880086080216758	0.7310077683518046	0.528015076780157	2.397347869229471	0	1.3947965804085727	0.601768886235325
lactate-13C2	2.601125043788597	4.651254518338742	5.028859288305153	2.2061471173013745	2.214013608113888	7.06574418007517	3.055426686216638	3.494266570539732
lactate-13C3	2.3400922735863854	53.66969306320505	46.97393630721455	3.1558535300989567	43.97164803980378	59.57915003300607	23.637168987449524	26.772402232361422
lactate-ALL	80.80579945828752	121.01975673320314	99.62987924662482	81.0785089928679	92.14680427860286	119.19706172204391	59.484693135114824	68.2845030676493
pyroGlu-13C0	59.24277632725827	47.27515464860985	43.63370489842218	65.34209819852197	41.00222129826434	48.48647135300497	43.31654023519113	11.4009391149134
pyroGlu-13C1	5.373349003551342	3.7730914404232148	5.784334294622056	4.347655753474907	4.036710636341609	6.950017891332374	3.418344307090755	1.0392478855467313
pyroGlu-13C2	0.07651419871447127	4.94678300492144	5.466583826361313	0	5.344107599595558	5.349418450691542	1.5196344148083474	1.3390752408837001
pyroGlu-13C3	0.11037267520629376	2.2244101880843363	1.0944293149355362	0.08079054538574237	0.8703189393200838	2.202794735119102	2.0152757058173325	0.5054651883505299
pyroGlu-13C4	0.21964056249429953	1.1764691267427028	1.4406762796134005	0.025813936874863417	1.4412975010429634	1.4723938422860832	0	0.2530526980473899
pyroGlu-13C5	0.12641432151895715	0.29962206380266543	0.7555661425351543	0.27940006449020266	0.01637246777952192	0	0.8044449228679237	0
pyroGlu-ALL	65.2577470177589	60.277568615335475	58.358227639035654	70.35211904009027	52.95658765248189	64.46109627243408	51.07423958577548	14.53778012774175
t-aconitate-13C0	0.3522765300163054	0.10330333378145702	0.12162161991004472	0.4269322889037631	0.11330334346828348	0.13020835609932552	0.07828393100548567	0.08781892136049563
t-aconitate-13C1	0	0.044415180032289225	0.019207448229660303	0.02320141114297892	0.02846756581816128	0.0659559037287447	0.043127582034453826	0.04582812394056396
t-aconitate-13C2	0.05321735811582305	0.1687447065469328	0.12044155650869925	0.03239491245388131	0.18173637285990485	0.16167223966847633	0.14485497594356847	0.15633365035840463
t-aconitate-13C3	0	0	0.033836699481786726	0	0.05704555085731586	0.07436349638562538	0.02644547451989996	0
t-aconitate-13C4	0.0047239974890269446	0.048857133629273734	0.05175670310837793	0	0.03297959071240738	0.031997816537580805	0.062068907251786584	0.05912058125503536
t-aconitate-13C5	0	0.015011566127655402	0.01812055363120306	0	0.01548285380485679	0.01338442435919566	0.01683522235519182	0.033903045580538554
t-aconitate-13C6	0	0.01644848996985974	0.006881533996563207	0	0.008803237196350955	0.02006522383413517	0.008536871989049536	0
t-aconitate-ALL	0.4102178856211554	0.39678041008746795	0.37186611486633525	0.48252861250062334	0.4378185147172806	0.4976474606130836	0.38015296509943586	0.38300432249503813
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_#1-0	a-glycerol-3P_#1		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