#METABOLOMICS WORKBENCH huntermoseley_20180413 DATATRACK_ID:1372 STUDY_ID:ST000951 ANALYSIS_ID:AN001560 PROJECT_ID:PR000653 VERSION 1 CREATED_ON April 18, 2018, 3:32 pm #PROJECT PR:PROJECT_TITLE NK versus CD8 T naïve and CD8 T memory PR:PROJECT_SUMMARY Exp to look at lactate/ alanine excreted in supernatant, lactate, citrulline and PR:PROJECT_SUMMARY other TCA intermediates inside cells PR:INSTITUTE University of Kentucky PR:DEPARTMENT Markey Cancer Center PR:LAST_NAME Lutz PR:FIRST_NAME Charlie PR:ADDRESS Dept Of Pathology, UKMC PR:EMAIL ctlutz2@uky.edu PR:PHONE 000-000-0000 #STUDY ST:STUDY_TITLE Human NK vs T cell metabolism using 13C-Glucose tracer with/out oligomycin (part ST:STUDY_TITLE III) ST:STUDY_TYPE isotope tracer ST:STUDY_SUMMARY NK versus CD8 T naïve and CD8 T memory SIRM experiment using 13C-Glucose tracer ST:STUDY_SUMMARY with/out oligomycin ST:INSTITUTE University of Kentucky ST:DEPARTMENT Markey Cancer Center ST:LAST_NAME Presnell ST:FIRST_NAME Steve ST:ADDRESS Dept Of Pathology, UKMC ST:EMAIL srpres2@uky.edu ST:PHONE 000-000-0000 ST:STUDY_COMMENTS For additional comments about the study, like listing a publication. #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 - 20150818_NK_plate1 cell_type:NK protocol.id=normal_12CGlc; lineage_1=Donor_SRP; protocol.id=normal; species=Homo sapiens; species_type=Animal; taxonomy_id=9606; lineage_2=Donor_SRP_blood_20150818; protocol.id=blood_collection; lineage_3=Donor_SRP_blood_20150818_NK; cell_count=750000; cell_type=NK; protocol.id=cell_extraction; lineage_4=Donor_SRP_blood_20150818_NK_plate1; cell_type=NK; plate_media_tare=-1; plate_media_tare%units=g; protocol.id=normal_12CGlc; replicate=1; replicate%type=biological; lineage_5=Donor_SRP_blood_20150818_NK_plate1-sup; cell_type=NK; protocol.id=cells_media; lineage_6=Donor_SRP_blood_20150818_NK_plate1-sup-polar_GCMS_A; protocol.id=polar_extraction; replicate=1; replicate%type=analytical; type=polar; weight=0.2086; weight%units=g SUBJECT_SAMPLE_FACTORS - 20150818_NK_plate2 cell_type:NK protocol.id=normal_13CGlc; lineage_1=Donor_SRP; protocol.id=normal; species=Homo sapiens; species_type=Animal; taxonomy_id=9606; lineage_2=Donor_SRP_blood_20150818; protocol.id=blood_collection; lineage_3=Donor_SRP_blood_20150818_NK; cell_count=750000; cell_type=NK; protocol.id=cell_extraction; lineage_4=Donor_SRP_blood_20150818_NK_plate2; cell_type=NK; plate_media_tare=-1; plate_media_tare%units=g; protocol.id=normal_13CGlc; replicate=1; replicate%type=biological; lineage_5=Donor_SRP_blood_20150818_NK_plate2-sup; cell_type=NK; protocol.id=cells_media; lineage_6=Donor_SRP_blood_20150818_NK_plate2-sup-polar_GCMS_A; protocol.id=polar_extraction; replicate=1; replicate%type=analytical; type=polar; weight=0.3055; weight%units=g SUBJECT_SAMPLE_FACTORS - 20150818_T_memory_plate10 cell_type:CD8_T_memory protocol.id=oligomycin_13CGlc; lineage_1=Donor_SRP; protocol.id=normal; species=Homo sapiens; species_type=Animal; taxonomy_id=9606; lineage_2=Donor_SRP_blood_20150818; protocol.id=blood_collection; lineage_3=Donor_SRP_blood_20150818_T_memory; cell_count=1320000; cell_type=CD8_T_memory; protocol.id=cell_extraction; lineage_4=Donor_SRP_blood_20150818_T_memory_plate10; cell_type=CD8_T_memory; plate_media_tare=-1; plate_media_tare%units=g; protocol.id=oligomycin_13CGlc; replicate=1; replicate%type=biological; lineage_5=Donor_SRP_blood_20150818_T_memory_plate10-sup; cell_type=CD8_T_memory; protocol.id=cells_media; lineage_6=Donor_SRP_blood_20150818_T_memory_plate10-sup-polar_GCMS_A; protocol.id=polar_extraction; replicate=1; replicate%type=analytical; type=polar; weight=0.2431; weight%units=g SUBJECT_SAMPLE_FACTORS - 20150818_T_memory_plate7 cell_type:CD8_T_memory protocol.id=normal_12CGlc; lineage_1=Donor_SRP; protocol.id=normal; species=Homo sapiens; species_type=Animal; taxonomy_id=9606; lineage_2=Donor_SRP_blood_20150818; protocol.id=blood_collection; lineage_3=Donor_SRP_blood_20150818_T_memory; cell_count=1320000; cell_type=CD8_T_memory; protocol.id=cell_extraction; lineage_4=Donor_SRP_blood_20150818_T_memory_plate7; cell_type=CD8_T_memory; plate_media_tare=-1; plate_media_tare%units=g; protocol.id=normal_12CGlc; replicate=1; replicate%type=biological; lineage_5=Donor_SRP_blood_20150818_T_memory_plate7-sup; cell_type=CD8_T_memory; protocol.id=cells_media; lineage_6=Donor_SRP_blood_20150818_T_memory_plate7-sup-polar_GCMS_A; protocol.id=polar_extraction; replicate=1; replicate%type=analytical; type=polar; weight=0.2797; weight%units=g SUBJECT_SAMPLE_FACTORS - 20150818_T_memory_plate8 cell_type:CD8_T_memory protocol.id=normal_13CGlc; lineage_1=Donor_SRP; protocol.id=normal; species=Homo sapiens; species_type=Animal; taxonomy_id=9606; lineage_2=Donor_SRP_blood_20150818; protocol.id=blood_collection; lineage_3=Donor_SRP_blood_20150818_T_memory; cell_count=1320000; cell_type=CD8_T_memory; protocol.id=cell_extraction; lineage_4=Donor_SRP_blood_20150818_T_memory_plate8; cell_type=CD8_T_memory; plate_media_tare=-1; plate_media_tare%units=g; protocol.id=normal_13CGlc; replicate=1; replicate%type=biological; lineage_5=Donor_SRP_blood_20150818_T_memory_plate8-sup; cell_type=CD8_T_memory; protocol.id=cells_media; lineage_6=Donor_SRP_blood_20150818_T_memory_plate8-sup-polar_GCMS_A; protocol.id=polar_extraction; replicate=1; replicate%type=analytical; type=polar; weight=0.2304; weight%units=g SUBJECT_SAMPLE_FACTORS - 20150818_T_memory_plate9 cell_type:CD8_T_memory protocol.id=oligomycin_12CGlc; lineage_1=Donor_SRP; protocol.id=normal; species=Homo sapiens; species_type=Animal; taxonomy_id=9606; lineage_2=Donor_SRP_blood_20150818; protocol.id=blood_collection; lineage_3=Donor_SRP_blood_20150818_T_memory; cell_count=1320000; cell_type=CD8_T_memory; protocol.id=cell_extraction; lineage_4=Donor_SRP_blood_20150818_T_memory_plate9; cell_type=CD8_T_memory; plate_media_tare=-1; plate_media_tare%units=g; protocol.id=oligomycin_12CGlc; replicate=1; replicate%type=biological; lineage_5=Donor_SRP_blood_20150818_T_memory_plate9-sup; cell_type=CD8_T_memory; protocol.id=cells_media; lineage_6=Donor_SRP_blood_20150818_T_memory_plate9-sup-polar_GCMS_A; protocol.id=polar_extraction; replicate=1; replicate%type=analytical; type=polar; weight=0.2597; weight%units=g SUBJECT_SAMPLE_FACTORS - 20150818_T_naive_plate3 cell_type:CD8_T_naive protocol.id=normal_12CGlc; lineage_1=Donor_SRP; protocol.id=normal; species=Homo sapiens; species_type=Animal; taxonomy_id=9606; lineage_2=Donor_SRP_blood_20150818; protocol.id=blood_collection; lineage_3=Donor_SRP_blood_20150818_T_naive; cell_count=1320000; cell_type=CD8_T_naive; protocol.id=cell_extraction; lineage_4=Donor_SRP_blood_20150818_T_naive_plate3; cell_type=CD8_T_naive; plate_media_tare=-1; plate_media_tare%units=g; protocol.id=normal_12CGlc; replicate=1; replicate%type=biological; lineage_5=Donor_SRP_blood_20150818_T_naive_plate3-sup; cell_type=CD8_T_naive; protocol.id=cells_media; lineage_6=Donor_SRP_blood_20150818_T_naive_plate3-sup-polar_GCMS_A; protocol.id=polar_extraction; replicate=1; replicate%type=analytical; type=polar; weight=0.2733; weight%units=g SUBJECT_SAMPLE_FACTORS - 20150818_T_naive_plate4 cell_type:CD8_T_naive protocol.id=normal_13CGlc; lineage_1=Donor_SRP; protocol.id=normal; species=Homo sapiens; species_type=Animal; taxonomy_id=9606; lineage_2=Donor_SRP_blood_20150818; protocol.id=blood_collection; lineage_3=Donor_SRP_blood_20150818_T_naive; cell_count=1320000; cell_type=CD8_T_naive; protocol.id=cell_extraction; lineage_4=Donor_SRP_blood_20150818_T_naive_plate4; cell_type=CD8_T_naive; plate_media_tare=-1; plate_media_tare%units=g; protocol.id=normal_13CGlc; replicate=1; replicate%type=biological; lineage_5=Donor_SRP_blood_20150818_T_naive_plate4-sup; cell_type=CD8_T_naive; protocol.id=cells_media; lineage_6=Donor_SRP_blood_20150818_T_naive_plate4-sup-polar_GCMS_A; protocol.id=polar_extraction; replicate=1; replicate%type=analytical; type=polar; weight=0.2854; weight%units=g SUBJECT_SAMPLE_FACTORS - 20150818_T_naive_plate5 cell_type:CD8_T_naive protocol.id=oligomycin_12CGlc; lineage_1=Donor_SRP; protocol.id=normal; species=Homo sapiens; species_type=Animal; taxonomy_id=9606; lineage_2=Donor_SRP_blood_20150818; protocol.id=blood_collection; lineage_3=Donor_SRP_blood_20150818_T_naive; cell_count=1320000; cell_type=CD8_T_naive; protocol.id=cell_extraction; lineage_4=Donor_SRP_blood_20150818_T_naive_plate5; cell_type=CD8_T_naive; plate_media_tare=-1; plate_media_tare%units=g; protocol.id=oligomycin_12CGlc; replicate=1; replicate%type=biological; lineage_5=Donor_SRP_blood_20150818_T_naive_plate5-sup; cell_type=CD8_T_naive; protocol.id=cells_media; lineage_6=Donor_SRP_blood_20150818_T_naive_plate5-sup-polar_GCMS_A; protocol.id=polar_extraction; replicate=1; replicate%type=analytical; type=polar; weight=0.2221; weight%units=g SUBJECT_SAMPLE_FACTORS - 20150818_T_naive_plate6 cell_type:CD8_T_naive protocol.id=oligomycin_13CGlc; lineage_1=Donor_SRP; protocol.id=normal; species=Homo sapiens; species_type=Animal; taxonomy_id=9606; lineage_2=Donor_SRP_blood_20150818; protocol.id=blood_collection; lineage_3=Donor_SRP_blood_20150818_T_naive; cell_count=1320000; cell_type=CD8_T_naive; protocol.id=cell_extraction; lineage_4=Donor_SRP_blood_20150818_T_naive_plate6; cell_type=CD8_T_naive; plate_media_tare=-1; plate_media_tare%units=g; protocol.id=oligomycin_13CGlc; replicate=1; replicate%type=biological; lineage_5=Donor_SRP_blood_20150818_T_naive_plate6-sup; cell_type=CD8_T_naive; protocol.id=cells_media; lineage_6=Donor_SRP_blood_20150818_T_naive_plate6-sup-polar_GCMS_A; protocol.id=polar_extraction; replicate=1; replicate%type=analytical; type=polar; weight=0.2337; weight%units=g #COLLECTION CO:COLLECTION_SUMMARY Blood collected from a draw. Collection and quench of cells in tissue culture CO:COLLECTION_SUMMARY Media is extracted from plate. CO:COLLECTION_PROTOCOL_ID blood_collection cell_quench_collection cells_media CO:COLLECTION_PROTOCOL_FILENAME WS_Fan_Quench_cell_tissue.pdf CO:SAMPLE_TYPE T-Cells #TREATMENT TR:TREATMENT_SUMMARY Normal human, no treatment. Grown in unlabeled glucose. Grown in labeled TR:TREATMENT_SUMMARY glucose. Grown in unlabeled glucose and treated with oligomycin. Grown in TR:TREATMENT_SUMMARY labeled glucose and treated with oligomycin. TR:TREATMENT_PROTOCOL_ID normal normal_12CGlc normal_13CGlc oligomycin_12CGlc oligomycin_13CGlc #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Cells of interest extracted from the blood. Polar extraction from cells. SP:SAMPLEPREP_PROTOCOL_ID cell_extraction polar_extraction SP:SAMPLEPREP_PROTOCOL_FILENAME WS_Fan_Extract_Polar_Lipid_Prot.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 20150818_NK_plate1 20150818_NK_plate2 20150818_T_memory_plate10 20150818_T_memory_plate7 20150818_T_memory_plate8 20150818_T_memory_plate9 20150818_T_naive_plate3 20150818_T_naive_plate4 20150818_T_naive_plate5 20150818_T_naive_plate6 Factors cell_type:NK cell_type:NK cell_type:CD8_T_memory cell_type:CD8_T_memory cell_type:CD8_T_memory cell_type:CD8_T_memory cell_type:CD8_T_naive cell_type:CD8_T_naive cell_type:CD8_T_naive cell_type:CD8_T_naive Ala-13C00 0.0006420779429930041 0.00035991036338052203 0.00036855316075197817 0.0006555431231728386 0.0003642378369120603 0.0008854676358044719 0.0020053144317463663 0.0004664496656332465 0.0018657591072637394 0.0021945235998482387 Ala-13C01 2.927325206640302e-05 3.4635867259132743e-05 2.6586991540320935e-05 0.0001241139788295014 7.891361958699736e-05 0.0004285620115776588 0.0002213868583197255 2.2168332142429024e-05 0.00014593204216130313 0.0002929111950151026 Ala-13C02 0 7.27090315720006e-05 6.801363619785658e-05 4.018593720918928e-05 6.742086234580253e-05 4.1799030627020455e-05 0 5.32292976745652e-05 2.060019455563058e-05 0.001873709068871166 Ala-13C03 0 7.439826009689486e-05 5.933830110494826e-05 0 0 2.444045923363988e-05 0 5.2257944286827345e-05 4.700359571423795e-05 0.0002447204475714328 Ala-ALL 0.0006713511950594071 0.0005416535223085503 0.000522492089595104 0.0008198430392115293 0.0005105723188448602 0.001380269137242791 0.002226701290066092 0.0005941052397370681 0.002079294939694911 0.00460586431130594 Arg-13C00 0.4225882025047749 0.3650096699113517 0.2782636402235925 0.32604445707495167 0.33617071289401906 0.31931628852825256 0.2853281349611528 0.36101816264935094 0.2732056223927589 0.4306171558656805 Arg-13C01 0.02257787138107331 0.033779985276099 0.02178206123111319 0.022067537530813884 0.03058378061707938 0.01516655655060223 0.028369913500091715 0.02793629298722649 0.014528067073654375 0.03761808034634238 Arg-13C02 0.008732986406555376 0.0013911574746221303 0 0 0.001167171815458143 0.004754875268700083 0 0 0.0009580346501162495 0 Arg-13C03 0.00023216970157924127 0 0.00030911019126072023 0 0.0037170249374480703 0 0 0 0.0010620834428070427 0 Arg-13C04 0 0.000989534805665473 0 0.000685040304776993 0.0016914603087874154 0 0 0 0.0007949916477255658 0 Arg-13C05 0 0 4.2117829732841404e-05 5.484516907235386e-05 0 0.0006237802711157714 0 0 0 0 Arg-13C06 0 0.0007331394037617809 0.0009008047198305569 0.00014917224876500343 0.0009735384464317212 0.00040739730469060645 0.0004050359792748807 0.0005878749929069375 0.0004811621529860826 0.000734237271206069 Arg-ALL 0.45413122999398287 0.4019034868715001 0.30129773419552985 0.34900105232837986 0.37430368901922384 0.34026889792336124 0.3141030844405194 0.38954233062948435 0.2910299613600483 0.468969473483229 Asn-13C00 0.005365176430382423 0.0032406272223169438 0.0036030509089380624 0.005829016708395032 0.0038331643132101067 0.003542106714306043 0.004515937947177154 0.004428162286240505 0.004595675705252345 0.003642131110161074 Asn-13C01 0 0 0 0 0.00021195158835061027 0.0007728159498933198 0 0 0.0010663446081499725 0.000440331464379166 Asn-13C02 0 0.00010836813610615954 0 0.00012085009496706694 0.0007910475306908324 0 0 0 0 0.0006739059393689086 Asn-13C03 0.00017745147249977048 0.001880036940316559 0.0022961206208684465 9.261704111200818e-05 0.0008471508417144754 0.00013096563241756054 0.00029997718981278646 0.0019573001819708146 0.0004847021909059484 0.0017885747394440377 Asn-13C04 0.00023574958768395686 0.0008313842427662069 4.826545349683906e-05 5.334208138238262e-05 0.0003202236800104313 0.0003593342290608327 6.958492270347118e-05 0.0003766192763558924 0 0 Asn-ALL 0.0057783774905661505 0.006060416541505869 0.005947436983303348 0.00609582592585649 0.006003537953976457 0.004805222525677756 0.004885500059693412 0.006762081744567211 0.006146722504308266 0.006544943253353187 Asp-13C00 0.03431534317668544 0.0412818098265822 0.041457534990809564 0.03827943397948237 0.042597835057844494 0.04493291125242182 0.031222733903783148 0.05022363649648029 0.023323427543945955 0.07480852474603263 Asp-13C01 0.00196474546870866 0.0024928244958040634 0.001960342925392173 0.0019329688435264021 0.0017508140711949233 0.0014892174031157425 0.0011233658074549426 0.0021168629998158345 0.0005447153082734538 0.001955310703903442 Asp-13C02 0 0.00029607246340782327 0.00036818440387331925 0.0007081734455082313 0.00042225933289314054 0.0006058097165795232 0.00015983875527610843 0.0016491177639411762 0.000378780480745792 0.00034651562030463094 Asp-13C03 1.416722674865995e-05 6.904567449014662e-05 6.418931078143897e-06 0 0.00029405031565089346 0.00015877754520793726 0.0002381765943458948 0 0 0.00012786029270208976 Asp-13C04 0.0002775022707180219 0.00010293179503071586 0 0 0.00011993144550238366 1.8665498117372455e-05 0.0002016858680002923 0 0 0.00018571577794874804 Asp-ALL 0.03657175814286078 0.04424268425531495 0.0437924812511532 0.04092057626851701 0.045184890223085826 0.0472053814154424 0.03294580092886038 0.053989617260237294 0.0242469233329652 0.07742392714089154 Cys-13C00 0.0791131244724023 0.0749132143706668 0.10081676269670467 0.07715030157335756 0.09184445255537767 0.08518570867509362 0.06813185805518135 0.13550485368360335 0.026288593712690572 0.14341969910281577 Cys-13C01 0.005415539064557114 0.004589998302906155 0.0051262044806668 0.006717146790048733 0.006335661374072865 0.0015622307453407758 0.0026326998454928555 0.0017442291068410641 0.0015870030569313678 0.008745714040654882 Cys-13C02 0.0033435620647869306 0.002725179950642898 0.0033998177415963636 0.004477380080155608 0.0023968326623661075 0.004803381492647002 0.0028763034615499035 0 0.002048788801763514 0.005014456663895414 Cys-13C03 0.0012132446730536792 0 0.0011450922652662524 0 0.0011491199263872895 0.0003646312714009495 0.00025087530832014476 0.0035915112685319978 0.0006152670063775827 0.000485091352307579 Cys-ALL 0.08908547027480004 0.08222839262421584 0.1104878771842341 0.0883448284435619 0.10172606651820393 0.09191595218448234 0.07389173667054426 0.14084059405897642 0.030539652577763036 0.15766496115967366 GAB-13C00 0.00010189842202990104 0.00021867426601166888 0.0002327177200925234 0.00028835224157942657 0.0011366806667880832 0.00035661089320324335 0.0003469140369466944 0.0001341387549689898 5.455160165754571e-05 7.929425031910453e-05 GAB-13C01 0.00024223265466358034 0 0.00024340377000886038 0.00023424876938623823 8.685503932791994e-06 0 9.928532903780253e-05 0.00014644127664486116 9.876170540147378e-05 0.00020686916038419693 GAB-13C02 0.0002858680116443116 4.063773779888275e-05 0 0.00011438136459259182 7.57163128002405e-05 0.00021199680842084477 0 9.95566733019043e-05 7.382388381127857e-05 0 GAB-13C03 0 0.00017598194765454183 0.00027962747568776594 0.00032952569477381834 0.0002066350182496012 5.197891848645418e-05 0.00011829487087319034 0.0001084688470358973 5.5086354912724244e-05 8.053634938916784e-05 GAB-13C04 0.0012480698492092505 0.00030834103258682257 0.0006577379447580584 0.000440463155418674 0.0008172244911007229 0.0004869590659324284 0.0003508232190641084 0.00026876540188086064 0.00018012437832968866 0.00022466746232248673 GAB-ALL 0.0018780689375470436 0.0007436349840519161 0.0014134869105472082 0.001406971225750749 0.00224494199287144 0.0011075456860429706 0.0009153174559217957 0.0007573709538325132 0.00046234792411271094 0.000591367222414956 Gln-13C00 1.4357647295528733 1.3352723286355315 1.2465292014852487 1.4029311021773612 1.491826680559553 1.4448506449078564 1.3840189022310962 1.5622814939795902 1.204924927859497 1.8214266434565851 Gln-13C01 0.07346823762739714 0.06825001585733764 0.07809294388743075 0.10243621478488868 0.09179011060617749 0.09902923858630823 0.06272002720460608 0.10067175004724198 0.08224781358571676 0.11701667409800431 Gln-13C02 0.022421704794500917 0 0.008680364061658914 0 0 0 0.010655214700981982 0.019206433566194142 0.0005362145251891828 0.005000925530523129 Gln-13C03 0 0 0.004753379177927191 0.0013961911873528418 0.0009456437889312037 0.0028162049122385825 0.002915160962837311 0 0.0020874085754065737 0 Gln-13C04 0 0.020598886140237804 0 0.000433589959609106 0.013890800670062398 0 0.00042713163197146726 0 0.0004285552311660713 0.027429504809899075 Gln-13C05 0 0.0034037458482336544 0 0.0008979557789668633 0.001171876777557143 0 0 0.01570106845065392 0.00040617839472673224 0.006169155322974037 Gln-ALL 1.5316546719747715 1.4275249764813405 1.3380558886122655 1.5080950538881785 1.5996251124022813 1.5466960884064034 1.460736436731493 1.6978607460436803 1.2906310981717022 1.977042903217986 Glu-13C00 0.09807658199314709 0.09154418021923266 0.07625143412962389 0.06505850533475732 0.07800058146116431 0.08551084245342647 0.05219761978901661 0.06663721407639203 0.03879643264412279 0.1023185259909134 Glu-13C01 0.004794420401089758 0.005390844486357492 0.0046763373142186945 0.005530364995240892 0.008846692233706831 0.00979463165440067 0.0009694990889724986 0.004432198320560538 0.002437852369122552 0.009398018075857807 Glu-13C02 0.00039921385276932563 0.008638550126991494 0.0071737616533077975 0 0.005324694638612602 0.0025109315313574456 0.00119357487023492 0.00714667801530314 0.0006560193973056841 0.004404061606152461 Glu-13C03 0 0.11441592233653398 0.1192702879065745 0.003955647418241815 0.1260506912337325 0.0008295236629833657 0.001884351558188425 0.11295393036655053 0.002110786326872995 0.0943377837533386 Glu-13C04 1.7305616775557996e-05 0.004908693370578685 0.0016390614002305954 0 0.001966485093334057 0 0 0.000479755061260939 0.0007607101443457133 0 Glu-13C05 0.0010827151599241047 0 0 0 0.0008690901491051961 0 0 0.000814433216257301 0 0.0003511079237063427 Glu-ALL 0.10437023702370582 0.22489819053969434 0.20901088240395546 0.07454451774824002 0.2210582348096555 0.09864592930216795 0.05624504530641246 0.19246420905632447 0.04476180088176973 0.21080949734996862 Gly-13C00 0.012752289469243876 0.009855143129572261 0.009814616524046235 0.011764179005729706 0.010867601844350322 0.010938828809686956 0.010158851114299684 0.011826508221196552 0.00897293988096964 0.013631671083648354 Gly-13C01 0 0.0003004238898202286 5.468137027532847e-05 0.00031278030113205936 7.751952121577338e-05 0.00012579636455822742 0.0002355435170524528 0.0004351342681289763 0.0002376893135040278 0.0003377104353429578 Gly-13C02 0 9.330557814583209e-05 0.00017166483743739203 0 0.0002456415219077208 8.397891658478061e-05 0 0.00013006114957784057 0.00021231628354333943 0.00011590664216261862 Gly-ALL 0.012752289469243876 0.010248872597538322 0.010040962731758956 0.012076959306861765 0.011190762887473817 0.011148604090829963 0.010394394631352137 0.012391703638903368 0.009422945478017006 0.01408528816115393 His-13C00 0.00499946379380827 0.005430200708201422 0.0037812204972900165 0.0014394802670938095 0.0011476904864471565 0.0037735711644931885 0.0016029541176309401 0.002983045071748867 0.0009525028153203076 0.0026490014039949844 His-13C01 0 0 0 0.001124719069696753 0.0005640948123034563 0 0.0002125938833526825 0.0009310122024572288 0.0015564568382037253 0 His-13C02 0 0.001353633856736288 0.0009022659333459569 0 0.0007241371787597485 0 0.0008475034677031709 0.0016699108241361852 0.0004556216737370758 0.0005196335501619815 His-13C03 0.025711227876693173 0 0.00036774001487098636 0.019372623194598218 0.000646003512639232 0.02253755975483472 0.019756064335538816 0.0011693933990249228 0.021660823577595415 0.003973781999148031 His-13C04 0.0047281659142960454 0.0010741795724996406 0.0011007546159099316 0.004303187070511354 0.0011000223185645642 0.0019509069053099026 0.004335566922807996 0.0014719479953556724 0.005513850784954632 0.0024773680355072874 His-13C05 0 0.0011595847433309796 0.0019879443453626002 0.01883912423717282 0.004185726639046541 0.010202341683931523 0.01701751570072834 0.0008845002956369246 0.018533787193191473 0.0014309559462496128 His-13C06 0 0.0006902584674128212 0.0012714254207075852 0.0014646804293192521 0 0.001545208098251807 0.003859593423241032 0.0012459465789248676 0.0029083910685641606 0.0009182244714660412 His-ALL 0.03543885758479749 0.009707857348181151 0.009411350827487076 0.04654381426839221 0.008367674947760698 0.04000958760682114 0.04763179185100298 0.010355756367284669 0.05158143395156679 0.011968965406527938 Ile-13C00 0.23788701808361498 0.24734694445616096 0.204670166091395 0.27040628102444536 0.26531174929367385 0.18661305813380724 0.2122576529198948 0.24027622538000884 0.1656944527198352 0.21498555200974445 Ile-13C01 0.01859303975861856 0.012644293256095427 0.015554994882507148 0.020427436050918145 0.022672104922602777 0.015527690718336536 0.016744688998734634 0.017473183322543658 0.013328332862129637 0.01565837609811617 Ile-13C02 0.0029738857366617623 0.00275625733568021 0.0010904279507456783 0.0018016197799912053 0.0031387204411523406 0.0029583520044546502 0.0017722203362942317 0.0017179228486965525 0.00382665793506614 0.002956806882342052 Ile-13C03 0.0006544361964760614 0.0007019748994124716 0 0.000865424414875775 0 0 0 0.0011661832078643732 0 0.0008764882232410848 Ile-13C04 0 0.00039496538997168905 0.0004014679599587636 0.0002484244305981864 0.0005222093776275092 0.0003104301134177618 6.070387359148344e-05 0 0.00040300746572698767 0 Ile-13C05 6.825233233246483e-05 0.0003685556396556274 0 0 0 0 0 0 3.799462584961916e-05 3.704178058925947e-05 Ile-13C06 0.00023058061237806702 7.7996176185371e-05 0.00014153089424137882 4.176220491807797e-05 9.512448598834542e-06 3.909165366443625e-05 0.00018409816149532837 0.00018823720282365875 0 0 Ile-ALL 0.2604072127200819 0.2642909871531618 0.22185858777884795 0.2937909479057467 0.2916542964836553 0.20544862262368066 0.23101936429001046 0.2608217519619371 0.1832904456086076 0.23451426499403297 Isocitrate-13C00 0 0.0002013254610861255 0.00020843768268339238 0 0.00019816011560338373 0.00010409154307041283 0 2.226879771444829e-05 0.00010235945889940696 0.0001977854671233185 Isocitrate-13C01 0 1.4603129034343566e-05 5.677302938813487e-06 0 0 0.00017357082966163882 0 0.00024960780170912487 2.061291278048746e-05 0 Isocitrate-13C02 0 0 0 0 0 0 0 0 0.00024601724685271634 6.605020949661829e-05 Isocitrate-13C03 0 1.20121006943394e-05 3.837381063769197e-05 0 3.3817861683781225e-05 6.341637458457633e-05 0 4.633964404252189e-05 4.915790920014045e-05 3.110130396724542e-05 Isocitrate-13C04 0 0.00013541581955726564 0.00018316485065086497 0 4.55324763769117e-06 7.196593220717225e-05 0 0.00019244906678719337 4.4890674896845385e-05 0.000106803516292166 Isocitrate-13C05 0 7.813660218738906e-05 2.500798560662963e-06 0 0.00019576078607427065 0 0 4.226572956126023e-05 0.0003624088126169385 0.00023002440477994045 Isocitrate-13C06 0 0 6.022604753871663e-05 0 0.00010203172403526142 9.389646349204437e-05 0 0 0.00018472496957383747 0 Isocitrate-ALL 0 0.00044149311255946316 0.0004983804930101425 0 0.0005343237350343881 0.0005069411430158445 0 0.0005529310398145487 0.0010101719848203726 0.0006317649016592887 Itaconate-13C00 0.006980612728074815 0.002401999868097523 0.021859147916983304 0.0010731527951421344 0.010134525578727814 0.013979212647894854 0.0028862579949471947 0.0004537516136143593 0.007280131943010543 0.0007411930053744367 Itaconate-13C01 0.005260859784745404 0.014877581765141633 0.01731709361366716 0.004985063768279631 0.01042830206600835 0.01019543268298109 0.0016304097977262334 0.005430718125961223 0.006173163649642288 0.0068404551542322 Itaconate-13C02 0 0 0 0.0003981940443705622 0 0 0.000531427160815661 0.00013376292263732385 0.000505036810386122 0 Itaconate-13C03 0.00019415632535680315 0 0.0007224936796965779 0.00033279178235719366 0 0.0002854016881287069 0 0.000368151499415094 0.000594675849547003 0 Itaconate-13C04 0.0005254793968024507 0.0011815398043493587 0.001819471042552342 0.0015863722777017582 0.0014959634665121036 0.0011655015147640337 0.0006032238210891195 0.0029527631340205583 0.0005535770378101277 0.002363458913985489 Itaconate-ALL 0.012961108234979472 0.018461121437588518 0.04171820625289939 0.00837557466785128 0.02205879111124827 0.025625548533768683 0.005651318774578209 0.00933914729564856 0.015106585290396083 0.009945107073592125 Kynurenic_acid-13C00 0.0019006348479232288 0.00025985826347301203 7.517476198029876e-05 0 0.0002654606243435889 0.00015962138124036174 0.00013640132049370343 0.00024968259443049125 0 0.0001636278344236836 Kynurenic_acid-13C01 0 0.00033182753894574196 9.641313176797466e-05 0 9.838364971941978e-05 0.00014181335711548306 5.6149495692239866e-05 0.0004813694178164599 0 0.0003572853756355151 Kynurenic_acid-13C02 1.9011825949594093e-05 0 0.00011494007896995 0 7.239910792641738e-05 3.0246728604352495e-05 0.0002351439509969534 0 0 1.866835457134219e-05 Kynurenic_acid-13C03 2.0957550003281437e-05 0.000321167309263795 9.48384847317277e-05 0 0.00015813986420189278 0.00023515328214518023 0.0001316234226144401 0.0003589406349679136 0 0.00016455691503911382 Kynurenic_acid-13C04 0 3.759850177273951e-05 0.0001303154096456847 0 7.273473995013644e-05 6.42669316720364e-05 3.485160544096773e-05 0 0 0.00018253368571635644 Kynurenic_acid-13C05 0 7.272511810341594e-05 0.00015943073333580743 0 0.00016460233731389968 8.837889217180264e-05 6.980019432542813e-05 0.00010628598368873399 0 0 Kynurenic_acid-13C06 0.00010946032303130204 5.597093309160251e-05 3.837808982033023e-05 0 1.2261283402209581e-05 2.294554460379657e-05 0 8.87031694763148e-06 0 0 Kynurenic_acid-13C07 2.9112201433591766e-05 0.0001229520563840445 1.0128996920543698e-05 0 0.00017946740845674344 1.3830935306113263e-05 0.00011939281704299221 4.3074350227921854e-05 0 9.056576078277495e-05 Kynurenic_acid-13C08 0.00021135843802908672 0.00010598810145922628 9.549314166351989e-05 0 0.00011330793228597978 3.968192530342976e-05 0.00011045589376396717 0.00011241137951134465 0 0.00011295334052026875 Kynurenic_acid-13C09 0.00011604140129120377 9.345537104594259e-05 5.6046850115449964e-05 0 0.00011475768320524785 4.8161568990680874e-05 0 5.5205067108722954e-05 0 8.961862825600982e-05 Kynurenic_acid-13C10 1.8678660970348942e-05 0.00016134199337714995 0.0001282801100234024 0 0.00017352198694409703 0 0.00023891449020391043 3.0024032228421692e-05 0 0.0002471251350945712 Kynurenic_acid-ALL 0.03543885758479749 0.009707857348181151 0.009411350827487076 0.04654381426839221 0.008367674947760698 0.04000958760682114 0.04763179185100298 0.010355756367284669 0.05158143395156679 0.011968965406527938 Kynurenine-13C00 0.003000843897456085 0.010072580440027089 0.0028805676572597107 0.00028922195054298855 0.006238297752681971 0.006285643446343624 0.006549883337411727 0.001655755327339666 0.007210198434730486 0 Kynurenine-13C01 0.0010436200644738701 0 0 0.004592947544363399 0 0.0014892005004261165 0 0.0077468809665682085 0 0 Kynurenine-13C02 0.0014115681741141228 0 0.0029503929458499565 0.0018413421411107682 0.0022820410095965057 0 0.002220497173471877 0 0.0005604023286442666 0 Kynurenine-13C03 0.002439453609214359 0.0013383299704765046 0.0006609399337136588 0 0 0 0.0005444991318630367 0.003956058765546162 0.0005139736942938042 0 Kynurenine-13C04 0.00776161560209598 0 0 0.005843902309443522 0.0037262301567308554 0 0 0.006517628149799208 0 0 Kynurenine-13C05 0 0.0010827638379751544 0.0008779956125936636 0.007325337457342672 0.007336332375340359 0.0008224675980682338 0 0.0020815119375534345 0 0 Kynurenine-13C06 0.0035209072606704472 0.0018397623051540355 0 0.007624159017493174 0 0.007063389050608109 0 0.0009782525546604517 0.0028486840408500315 0 Kynurenine-13C07 0.008181734537275706 0.003959662344140901 0 0.0003074085599584509 0.0012859557876236537 0.0006269988312055392 0.004961473159141058 0.003741265664272541 0 0 Kynurenine-13C08 0.007525976054219211 0.00017491288248715914 0.005444408434422841 0.0004103546622991981 0.002951028911362554 0.0007453495344696428 0 0.0011710640762273776 0 0 Kynurenine-ALL 0.03488571919951978 0.01846801178026084 0.012814304583839831 0.028234673642554175 0.023819885993335895 0.017033048961121264 0.014276352801887698 0.02784841744196705 0.011133258498518588 0 Leu-13C00 0.2266570754315863 0.22078838027111383 0.15923268677466265 0.24551842061056647 0.23686111370230598 0.15563685817144407 0.19679280731326507 0.215962207298829 0.16015785411642522 0.17981018230094267 Leu-13C01 0.021084576344758677 0.018181874590893495 0.014250134287212222 0.019324621307280125 0.014242869402450564 0.01240795873596568 0.016639591069264884 0.01751667596431441 0.012280828992115958 0.016958175816144765 Leu-13C02 0.002482250551607547 0.0010113278010726954 0 0 0.000673672551974887 0.0004697741145106605 0.0021750836867737116 0.0015983380495349195 0 0 Leu-13C03 0.0021416909217479817 0 0.003171220710013453 0.001388683515779788 0.0023852022966483317 0 0.0017948772958253673 0.0010464732404447306 0 0.0014466632313965126 Leu-13C04 0 0 0 0 0 0.00018688686806648942 0 0.00030941842525433923 0 0.00025280041697785477 Leu-13C05 0.00026719403001340377 0.00010770354445144627 4.0013996744775875e-06 0.0004362947187825806 0 2.2563843883304626e-05 1.5756577476161348e-05 0 0.00027066100797577505 8.317543714367437e-05 Leu-13C06 3.0069690692562595e-05 0 0.00021903189590014385 0 0.00014373434949696155 3.68599107584458e-05 2.4957067334367623e-05 0.000137512840374547 0.00010785864095037103 4.8702023171055354e-05 Leu-ALL 0.2526628569704065 0.24008928620753145 0.17687707506746295 0.266668020152409 0.2543065923028767 0.16876090164462862 0.21744307300993956 0.23657062581875196 0.17281720275746731 0.19859969922577653 Lys-13C00 5.7582902768307556e-05 6.231340122602017e-05 0 0.00011411801624166306 0.00017768816448562164 9.636901044463597e-05 7.706642543022661e-05 0.00018785012044006844 8.415157630798639e-05 0.00011485371812749294 Lys-13C01 0.0006465658769076457 2.08659793366808e-05 0 0.00027051995743743607 0 0.00025762771210082705 0.000316430931495929 0.0002136584824321416 0.0003424902857778994 6.002367563951901e-05 Lys-13C02 0 8.943758834926712e-05 0 7.830783806613531e-05 2.8915133116053963e-05 0.00015016664220905576 5.524549331069124e-05 1.0670234873102534e-05 0 0 Lys-13C03 6.919400269487082e-05 4.023090932780443e-05 0 2.6874855668601577e-05 8.888164776121787e-05 5.5099394656078016e-05 6.004023436847784e-06 4.621369180410612e-05 1.2868399432618293e-05 2.2302089205539298e-05 Lys-13C04 3.17677949244766e-05 0.0002382029106717402 0 3.051954092721021e-05 4.348684131121704e-05 1.653724435335376e-05 0 0.00010599973664149377 2.7617349798229495e-05 6.972751230193353e-05 Lys-13C05 0 0.00023100667488863864 0 9.352076351489043e-05 4.885113150239289e-05 2.82621472215077e-05 1.3546734692807421e-05 0.00019436474090423747 0.0001298529519567966 0.0001255039532868237 Lys-13C06 2.1235130329870925e-05 0.0003028128348146185 0 1.6104951279280873e-05 0.00018009228610676932 7.254968996879374e-05 1.5082051559506712e-05 0.00018099373521554362 0 0 Lys-ALL 0.0008263457076251715 0.0009848702986147697 0 0.0006299659231352176 0.0005679152042832728 0.000676611840954252 0.0004833756599260087 0.0009397507423106934 0.0005969805632735302 0.00039241094856130854 Malate-13C00 7.276770687811518e-05 0.0008452228029141881 8.894659951993025e-05 5.880746275726297e-05 9.67750425682327e-05 0.0001042066463975337 3.509596541331207e-05 0.0008939050772904715 6.053655155422786e-05 0.0009007879500297731 Malate-13C01 1.3083847766721166e-05 0 1.3232030270282901e-05 2.3037999580012203e-05 0.00011842068310294248 5.4017989080560294e-05 1.303512707854176e-05 0 4.0524026815362316e-05 2.582378093710089e-05 Malate-13C02 0 4.637435025221578e-05 3.7858612770992594e-05 2.984654336395811e-05 2.312752991473085e-05 0 4.76502122597849e-06 0 2.5045834014925704e-06 0 Malate-13C03 8.247834578631108e-05 0 0.00011641188946079082 2.7854187161924225e-05 0 2.5716050284300238e-05 3.400459355163716e-05 0 0 9.440955689917739e-05 Malate-13C04 0 1.1001175353713287e-05 3.871945128831962e-06 4.640508994038919e-05 8.88697903103568e-06 1.5641608272299003e-05 4.723927955928637e-05 2.4416870733264545e-05 1.8726393776498787e-05 0 Malate-ALL 0.00016832990043114742 0.0009025983285201171 0.0002603210771508286 0.0001859512828035467 0.0002472102346169417 0.00019958229403469326 0.00013413998682875586 0.0009183219480237361 0.00012229155554758153 0.0010210212878660513 Met-13C00 0.011561922840217752 0.010389687180783848 0.0036326510565303453 0.011017245552401857 0.009784498021620167 0.004596891452808103 0.012450475644303665 0.01242648598122604 0.003528356033885403 0.007443828169442437 Met-13C01 0.0009833974217316561 0.0006917183747981513 0.0004775947892857868 0.0010431482076109048 0.0010992767407853655 0.00039399542924701175 0.0009931142562073756 0.0009975973545010813 0.0004171139782801843 0.0006850811568970593 Met-13C02 0.0008134362520103046 0.0005639328057593626 0.00016137912867383544 0.0005649855417087209 0.0007650477902590589 0.0003040142510802398 0.0009190521084503049 0.0007171656790050515 0.00029792685664416067 0.0004894305900511487 Met-13C03 0 0.0002651947041653907 4.332152859203834e-06 0.00018657857311742623 0.00011766726488511125 3.418268185137645e-05 0 0.00018419980531526067 0.00028481970229498856 7.52557279276688e-05 Met-13C04 8.945591465847204e-05 4.1673316430094264e-05 6.292727409084888e-05 2.163754840830035e-05 0.00014390203455409654 0.00023250954713944843 3.3280396063716353e-06 0.00013451324631667014 0 6.535613324562989e-05 Met-13C05 0 3.195930321069548e-05 8.270304343244754e-05 0.00013653372359427918 2.6844921423431874e-05 1.6644314593019595e-05 2.436471652161483e-06 3.5457911058513715e-05 5.031207574342353e-05 9.56337412210231e-05 Met-ALL 0.013448212428618185 0.011984165685147544 0.004421587444872467 0.01297012914684149 0.01193723677352723 0.0055782376767191996 0.01436840652021988 0.014495419977422616 0.00457852864684816 0.00885458551878497 N-Ace-Asp-13C00 0 0 0 0.0016985792674971273 0 0.0008613280696772585 0 0 0 0 N-Ace-Asp-13C01 0 0 0 0.0005605778763187506 0 0 0 0 0 0 N-Ace-Asp-13C02 0 0 0 0 0 0.0005464793658079605 0 0 0 0 N-Ace-Asp-13C03 0 0 0 0 0 0 0 0 0 0 N-Ace-Asp-13C04 0 0 0 0 0 0 0 0 0 0 N-Ace-Asp-13C05 0 0 0 0.0002932148752873832 0 0 0 0 0 0 N-Ace-Asp-13C06 0 0 0 0.00013211216953542296 0 0.0004424117020698148 0 0 0 0 N-Ace-Asp-ALL 0 0 0 0.002684484188638684 0 0.001850219137555034 0 0 0 0 OHPro-13C00 0.04112492473007812 0.042538268374010084 0.033274927118042114 0.03562285684799599 0.0519888127200894 0.03196246554282138 0.0317936463428207 0.047614331253099725 0.01912455084578378 0.0400320421803318 OHPro-13C01 0.002247349620730639 0.0024071543550434576 0.0015975044321649354 0.002703282381095342 0.003510852700935618 0.001485796036596874 0.0024325723850797294 0.0023301484041959196 0.0012234550875876663 0.0017761210675258838 OHPro-13C02 7.692024811637891e-05 0 0.0005137337783248832 0 0 0.0003319878633481352 0 0.00015339054773448864 0 0.0004944645596937479 OHPro-13C03 0 0.0003273947907699968 0.0005759299315068266 0 0.0005238828769846993 0 0.00023009576560803296 0.0003071218445679012 9.362824697294426e-05 4.438501201639628e-05 OHPro-13C04 4.332187655740594e-05 0.0015192001749645173 0.001422174635386321 0.00011595583636620536 0.0012439049332516503 0 0 0.001595476181369619 1.907528552959298e-05 0.0016853048529780503 OHPro-13C05 9.757246686535842e-05 0 0 0 0.0001804829432994566 0 2.269894197997276e-05 0 0 0 OHPro-ALL 0.0435900889423479 0.04679201769478806 0.03738426989542508 0.03844209506545754 0.05744793617456082 0.03378024944276639 0.03447901343548843 0.05200046823096765 0.020460709465873982 0.04403231767254588 Orn-13C00 0.025799872573163008 0.013463006924931853 0.012789483301077294 0.02168336704531631 0.013107569512793467 0.024695150498081842 0.021841606505847308 0.02876657284147965 0.014579796488186667 0.041818106586954035 Orn-13C01 0.0020902174949911285 0.00037810560131466315 0.0002466354738394205 0.0010923715766034425 0.00017289334437085174 0 0.0012988198642214315 0.0038684477271539505 0.0003425786519405707 0.002521011134365554 Orn-13C02 0.0003138319229355294 0.001036157387709836 0.0007277233357393174 0 0.00029563172960535186 0.000644351567408446 0.000391398917440704 0 0 0.0009120549118901121 Orn-13C03 0.00024209181606297094 0 0 0 0.00043823391838499544 0.0007162150471496847 0 0 0.00037193395380616726 0.0006712339697024735 Orn-13C04 0.00040343029977999676 0 0.00010935913725403861 0.00013395856622599162 7.758533000924478e-05 0 9.966888356318243e-05 0 0.0004221065001736223 0 Orn-13C05 6.68426592116915e-05 0.0002901621903822062 0.0007641274967832409 6.348417856638548e-05 0.0006524572193308919 0.00023922206806997436 0.00030435891381605436 0.0003367926018277337 0.00032460723229941053 0.0003898156209593525 Orn-ALL 0.028916286766144328 0.015167432104338558 0.014637328744693312 0.022973181366712135 0.014744371054494804 0.026294939180709947 0.02393585308488868 0.032971813170461335 0.01604102282640644 0.04631222222387153 Phe-13C00 0.06487479973169359 0.05888632148877131 0.050233036506163835 0.05311417939865216 0.06291556727923692 0.048900416129301225 0.05371055351417 0.060995849900038986 0.04442516930852666 0.05138369521945392 Phe-13C01 0.0055760702756838055 0.007433904445509305 0.004191647734772323 0.005363400455423762 0.006538574711279711 0.005279203298066674 0.005635025213773715 0.007235755268309128 0.0040637402359168795 0.006121444440035945 Phe-13C02 0.0002913196940929803 0.001103261579261155 0.0007881004421326689 4.384669563504909e-05 0.0001577497380039399 0.0008627505549092197 0.0003092710228829851 0.00011841945592158001 0.0001790592722813491 0.0016050641568508615 Phe-13C03 0.00041356880556836647 0.0004039016431495845 0.000322715540937132 0 0.0006773129590858924 0 0 0.00034004109782019066 0.0006484511076495588 0 Phe-13C04 0.00014676812527730025 1.3257732294372417e-05 0 0.00020579680155776334 0 7.749506134513351e-05 0.00026304631652105965 0.0001472650125592809 0 0 Phe-13C05 0.0009130955313391862 0 0.00018056737634257293 0.0007790003049494913 0.0004783244667615866 0.0005874787624462305 0.001092555783056546 0.0004822062477367574 0.0008823804702085564 0.00019318254367095891 Phe-13C06 0 0.00014191634903634563 9.800159394944384e-05 7.60679516220214e-05 0.00021986259978543326 0.00032843674544010215 0.00046174560204185225 0 4.992427088565346e-05 0.00010760488103047754 Phe-13C07 0 0.002001888676842483 0.0017182247757153786 0 3.137897257317773e-05 0 0 6.363592234062221e-05 1.705687851232412e-05 0.0001523004094218496 Phe-13C08 0 0 0.00030216768202049726 6.282131521732848e-05 2.164917149812757e-05 0 6.307901168469755e-05 5.443261100348601e-05 0 2.5952086938338186e-05 Phe-13C09 0.000132844480091812 0.00024178367989280083 0.00010910353937361783 6.672749902485879e-05 0.00010301726121364062 2.8154311646832064e-05 6.518276778918209e-06 0.0001932413081294408 3.477945532986972e-05 0.00015341489870024377 Phe-ALL 0.07234846664374703 0.07022623559475735 0.05794356519140747 0.05971184042208244 0.07114343715943842 0.05606393486315541 0.061541794740909775 0.06963084682385949 0.05030056099931086 0.05974265863610259 Pro-13C00 0.03244188353567722 0.031907570142874236 0.0002051456398420135 0.03267331193074682 0.03339577698019889 0.025071349769788386 0.029692493697245772 0.03167596612182547 0.020908212949791588 0.028993114577145405 Pro-13C01 0.0021378947199360617 0.0027080965899371843 3.1077509060981995e-05 0.0027461162317671158 0.0020898543313841015 0.0009057365955443443 0.001990650891576791 0.0019307388975608744 0.00134353499266338 0.0015481350240593354 Pro-13C02 0.000745838564120748 0.0008038318953895132 0.002420744666669252 0.00042675032670354583 0.0010992390788011894 0.0006436178567176357 0.00020039110787747444 0.0006590048811250116 0.0002395466532867901 0.0006892634600657615 Pro-13C03 0.0003358068395760852 0 0 0.00016256004889702604 0 0.0002558747920200265 0.00023133079508481764 4.311549118431825e-05 0.00023167158709852195 0 Pro-13C04 0.00030734615897967074 0 0 1.84462495579503e-05 0 0 4.940158033254488e-05 0 1.0732838637235413e-05 0 Pro-13C05 6.0643420835933954e-05 0.0002129127688060948 2.201489019545113e-05 0.00021219418240205374 0.0001349465158059663 3.9087674306998714e-05 1.3097405794613618e-05 1.8422156647606627e-05 0.00018971923540351862 3.317468492909989e-05 Pro-ALL 0.03602941323912572 0.03563241139700703 0.002678982705767699 0.0362393789700745 0.036719816906190146 0.02691566668837739 0.032177365477912015 0.034327247548343286 0.02292341825688103 0.0312636877461996 Ser-13C00 0.04782877491167279 0.04132883623832593 0.038788677532539964 0.03869393453228776 0.0475928735455732 0.03780960101836705 0.040303711448167 0.04110741942299632 0.03609598088582915 0.043421191788295704 Ser-13C01 0.0015922959647134494 0.0017694339292684763 0.0008361570461410118 0.001079272682036568 0.0018661258004672638 0.001333158957937211 0.0017304162397445164 0.0016734847107800286 0.0016016648506374284 0.0013630311628042987 Ser-13C02 0.0004645487424059184 0 2.306594030606098e-05 0.00033954172315706185 0.00017506341968831181 0.00034408079293775867 0 0 0.0003594576945733304 0.0006724956228339356 Ser-13C03 4.546066519025071e-05 0 4.114944876912845e-06 0.0001410904050249308 0 0.00012070675836216799 0 0.00021577868032686943 0 1.2799367068934305e-05 Ser-ALL 0.0499310802839824 0.043098270167594405 0.039652015463863946 0.04025383934250632 0.04963406276572878 0.03960754752760419 0.04203412768791152 0.04299668281410322 0.038057103431039914 0.04546951794100287 Succinate-13C00 0.018708151029717863 0.014995689999175412 0.009823890354291147 0.010564702742075004 0.010452982359935904 0.010323147544449766 0.01112650875003947 0.0098727806243594 0.010083694781530459 0.012407841146916333 Succinate-13C01 0.0004717321161057254 0.0010012242528104787 0.00103483698161909 0.00042156390628626935 0.0013069256613928999 0.0004286651065496612 0.0012585918217470425 0.001430501745286902 0.0003885899536252702 0.001456920888429035 Succinate-13C02 0.0017054926343345667 0.0009226696580192481 0.0014572027082281624 0.001225790996937083 0.0017699214352952977 0.0009890608872573478 0.0010247079478059205 0.001351684138912353 0.000988462550021659 0.0007716678122317507 Succinate-13C03 0 0.00020817914455421375 0 0 0 0 2.826663327805012e-05 3.578457589779975e-05 0.0003368265668895175 0.0001314444189253186 Succinate-13C04 0.0005710751311590756 0.00016081006548793308 0.00016320791843073656 0.00047966443425805045 2.696660763920326e-05 0.0003427848746970975 0.0004240566152723228 0.0005333436068110291 4.2290054102803614e-05 0.00036648861027319026 Succinate-ALL 0.02145645091131723 0.017288573120047286 0.012479137962569137 0.012691722079556407 0.013556796064263302 0.012083658412953873 0.013862131768142806 0.013224094691267485 0.011839863906169711 0.015134362876775628 Thr-13C00 0.11803974012852414 0.09795087077314758 0.07221070015690591 0.10586931875014467 0.09640328894135348 0.09525076380732982 0.1049515505354735 0.11459089760100043 0.09233680256861802 0.11119586142818048 Thr-13C01 0.0040580933889940995 0.0021808801318739827 0.00440183983338321 0.0036368620203886693 0.0023499650011674094 0.00481735740783302 0.004601189414677615 0.00498119266372097 0.0016865668300063293 0.006429283888465585 Thr-13C02 8.85493835810293e-05 0.00026947502637301074 0 0 0.000518000862161385 0.0011296416353329074 0 0.0021934772112713213 0.0011705650925611616 0.0009655290835736805 Thr-13C03 0.001183079200730425 7.484252501769321e-06 0.0008420860463293201 0 0.002163452725669994 0.0015949028058244575 0.0002308673457111221 0 4.256416525743471e-05 0 Thr-13C04 2.2186546871159123e-05 0.0001134953500686696 0 0.00038104343558252997 0 0 0 0 0 0.0001657150534531054 Thr-ALL 0.12339164864870085 0.10052220553396501 0.07745462603661844 0.10988722420611587 0.10143470753035227 0.10279266565632021 0.10978360729586224 0.12176556747599272 0.09523649865644296 0.11875638945367285 Trp-13C00 0.00113922512843131 0.0008548404734737081 0.0011184018148502237 0.0019463018004474148 0.001291196048081626 0.0009660081374463701 0.001069861996561024 0.0004265295337052416 0.0005919390537163091 0.0010182715955189584 Trp-13C01 0.0002069719920026514 0.00027616333855529513 0.00042797069501665367 0 0.00042894471694174274 0.0005114874466890843 0.0003052308973829632 0.0003352985512611964 0 6.942919658120732e-05 Trp-13C02 0.00014570861083061846 0.0004821972090126985 7.797060250203282e-05 0.00010316839114208644 0.0005235651559546973 0.00017402757815463419 0 0.0006243150426940376 7.733843881005987e-05 0.0004680542991863706 Trp-13C03 0 0.0004516313154158023 0.0002577056466289198 0.0003920163714679254 0.0003593001727948293 5.468832859363138e-05 0.00032164614696253804 0.00030315099163784825 0.0002590786124424629 0.00050828264470883 Trp-13C04 0.00029247706991907305 0.0003610659575813157 0 8.650110654223326e-05 0.0003990088637305079 8.416394171705944e-05 0.00016216486358952415 0.00011646068978722709 0.0004032055980540457 0.0002766396292838759 Trp-13C05 0.00026250122922407977 0.0005236764405733202 0.0004079670824474892 1.4967070994358164e-05 6.160844920815978e-05 0.00024053466896196656 0.00014504379385268975 0.00023196611612440277 0.00016258447557143086 0.00042012173737023553 Trp-13C06 4.534099225302191e-05 0.00012922857303351848 0.00012044289606229353 0.00010910398148061571 0.00017687927448595424 0.00017110081810077155 0.00019907757889907888 0.00048423193061731076 0.00016084238160818444 0.00037004817701591987 Trp-13C07 0.00058582236271823 7.625447388910221e-05 5.003892102542798e-05 0.001346260588232705 0.0002262720286818829 0.0008548441910620335 0.00151614832283684 3.3520659975390355e-05 0.0014495204219795346 8.955544760799499e-05 Trp-13C08 0.0006875822047210953 0.0005514240759349039 0.0002962891717187761 0.0006480000917816841 0.0002265289181921102 0.000805238205599978 0.0008164754297882256 0.00039517710922546594 0.00018101889766578995 0.000322127042303309 Trp-13C09 0.001205081077322032 7.468741357310194e-05 0.0002720235589285744 0.00038313816552311463 0.00017739184278339287 0.00036337224866116787 5.531555793758179e-05 0.00028884518189599434 3.4961960202351704e-05 4.3007456819325325e-05 Trp-13C10 0 0.0005390053060994921 8.406476142874925e-05 0.0002888115538146475 0.0002908809007712699 0.00017113160278220188 0.0001595529126651917 0.00022629823424289802 0.00033854404691716864 0.00018593982904811364 Trp-13C11 0.0001334556318863099 0.0005816881561944616 0.0007198684388536279 0.0003824273667403519 0.0007451737618757598 0.0001879672874391189 0.00026294195162785094 0.00020169272933974572 7.736328055150238e-05 0.0008330540843255056 Trp-ALL 0.004704166299308422 0.00490186273333672 0.003832743589462768 0.005700696488167137 0.004906750133501932 0.004584564455208018 0.005013459452103509 0.003667486770506758 0.0037363971675188398 0.004604531139769646 Tyr-13C00 0.016328120621695003 0.00021619249646028595 0.0002181206019250732 0.014043053100520503 0.0003366969308436342 0.00015178669409859614 0 0.015769733650135738 0.00020562798441987727 8.197842775487162e-05 Tyr-13C01 0.0017181541214599297 0 0.004875169956837561 0 0 6.440557541916829e-05 0 0 0.00012162653346488334 0.00010845815664512543 Tyr-13C02 0.00027585334809749685 0.00014877553362610996 0 0 1.9519898974605827e-05 4.232077983381792e-05 0 0 3.1511995121039814e-05 7.653072400542388e-05 Tyr-13C03 0 0 0 0 2.8851979909800864e-05 0.0004234523505686344 0 0.00022348060685846492 0.0019568002425087 2.6860782045879875e-06 Tyr-13C04 4.5099226242586795e-05 5.0318043335655236e-05 7.421703773920542e-05 0.00029944804290343873 5.3195712870704654e-05 5.875656608621952e-05 0 3.5916953493695356e-05 0 1.1751577815345036e-05 Tyr-13C05 0.00021095484909164277 8.239661368919059e-05 0 2.9062329780560675e-05 3.833848062805305e-05 1.9008099594076718e-05 0 6.400618140357415e-06 0 6.254583334727155e-05 Tyr-13C06 1.7199111259786292e-05 5.4662267088361615e-06 2.5284238611738702e-05 2.5766626893612274e-05 7.317109694325069e-05 7.821340679644219e-05 0 2.774589311185423e-05 5.430460100007393e-05 4.255866592916704e-05 Tyr-13C07 0.00011951171022289107 9.680488946307108e-05 6.469132575079275e-05 8.159580654968939e-05 4.491000134679503e-05 7.840221521562002e-05 0 6.677123626753223e-05 3.903718477261067e-05 1.4412202893041859e-05 Tyr-13C08 9.343006936289075e-05 4.35386912856564e-05 7.461179456636676e-05 3.3917561442685245e-05 8.641734877104318e-05 5.388157688456435e-05 0 0.0002017672847555524 7.037419210013593e-05 4.6410911108522833e-05 Tyr-13C09 0.0001027462305118363 0.0015043115139668911 0.0003423901410564942 5.267921174408105e-05 0.00019503997583439816 4.264576514739084e-05 0 0.0021597384488651287 6.0908650717689503e-05 0.0002806860452223093 Tyr-ALL 0.018911069287944064 0.0021478040085356966 0.005674485096487233 0.01456552267983457 0.0008761414261222857 0.0010128730296445304 0 0.018491554691628324 0.0025401913841050106 0.0007280186229256665 Val-13C00 0.02525318481074593 0.023765136085339828 0.01938507852620109 0.02379803835807334 0.024060292102820145 0.018480693152760064 0.020747556266815 0.022925369369515156 0.017729371371084577 0.021514511161569407 Val-13C01 0.0014714974762759852 0.0014313085136924278 0.0011744272381928537 0.0012299416106542318 0.0014476142055538331 0.0013717486282228725 0.0010931081718448922 0.0013317050993570149 0.0014191007942366794 0.0015494362085213167 Val-13C02 0 0.000306275142615416 0.00034640928373137883 0.00030480093956921695 6.623350392572485e-05 0.00017594323538109563 0.0004537662609101973 0.0004774316285950219 0.00035025223590552716 0.000250217421545917 Val-13C03 0.00011388039465389451 0 6.247579218023294e-05 0 0.00027184851050098853 3.014733052964281e-05 0 0 0 0 Val-13C04 0 6.209588001849305e-05 2.6519986519660043e-06 6.683675045454505e-05 6.488537125396468e-06 0 0 0 5.263896949353105e-05 2.459568446868576e-05 Val-13C05 0 1.2831089465877545e-05 8.448124778517392e-05 4.088265995446526e-05 1.874862203135181e-05 0 2.9131801700453368e-05 0 9.335365015037342e-06 1.5231655764776777e-07 Val-ALL 0.02683856268167581 0.025577646711132045 0.021055524086742695 0.0254405003187058 0.02587122548195744 0.020058532346893674 0.022323562501270544 0.02473450609746719 0.019560698735735352 0.023338912792662973 a-glycerol-3P_#1-13C00 0.014214528213719988 0.002676491014405101 0.0010776560200492485 0.0018320506254978757 0.0016765315729425454 0.004605565165379604 0.003054226353029041 0.002370904506565621 0.007048851137034449 0.0028598101695139905 a-glycerol-3P_#1-13C01 0.004591642057016671 0.0008046388014294729 0.00129168479688901 0.0012349516618270374 0.0030414530753990637 0 0.0006558441093414796 0.0037228546132542593 0 0.0006168428394075953 a-glycerol-3P_#1-13C02 0.002284624143564733 0.0004054248837757256 0.00129668548745656 0.002002716284084333 8.66787478713104e-06 0.0015465943587443496 0 0 0.0006795974704355144 0.0001975190660030288 a-glycerol-3P_#1-13C03 0.0006689900480327407 0.002265321151929986 0 0 0 0 0.0002732074911879459 0.00014679989772561303 0 0.009861755508601073 a-glycerol-3P_#1-ALL 0.021759784462334134 0.0061518758515402856 0.0036660263043948186 0.005069718571409246 0.0047266525231287404 0.006152159524123953 0.003983277953558467 0.006240559017545493 0.007728448607469964 0.013535927583525688 a-glycerol-3P_#2-13C00 0.02443516541739681 0.006232547443710124 0.0013702090481979914 0.00056650782234649 0.003799577893708614 0.0008310126826555685 0.0029141213246503504 0.00201020525498744 0.0011269347808748914 0.01738139903966801 a-glycerol-3P_#2-13C01 0.0010726915704999203 0 0 0.00043559852479748676 0.00031450488976220137 0.001174083727933819 0.0004333216510228599 0.0013957393212432857 0.001494748446882829 0 a-glycerol-3P_#2-13C02 0.0019252334576911527 0 0.00047766589021105846 0 0.0006724738022961012 0.0004990927369722765 8.914938719636164e-05 0.005141229511473958 0 0 a-glycerol-3P_#2-13C03 0.0005902554075625137 0.0041432818409568185 0.00023005170877070459 0.00020153484281503612 0.0011070984855737443 0 0.00013212531184371413 0 0.0009964393719463826 0.0006951666263034198 a-glycerol-3P_#2-ALL 0.028023345853150396 0.010375829284666942 0.0020779266471797546 0.0012036411899590128 0.00589365507134066 0.0025041891475616643 0.003568717674713286 0.008547174087704683 0.003618122599704103 0.01807656566597143 a-ketoglutarate-13C00 a-ketoglutarate-13C01 a-ketoglutarate-13C02 a-ketoglutarate-13C03 a-ketoglutarate-13C04 a-ketoglutarate-13C05 a-ketoglutarate-ALL aOHglutarate-13C00 aOHglutarate-13C01 aOHglutarate-13C02 aOHglutarate-13C03 aOHglutarate-13C04 aOHglutarate-13C05 aOHglutarate-ALL ascorbate-13C00 0.0004987598198160638 0.00011330861312618352 0.00014176580917100152 0.0004798156276490367 0.0003388496886559283 0.00013979430455757035 0.00013156699138468675 8.364732457970681e-05 0.0002991451594309715 0.00015554794911578688 ascorbate-13C01 0 0 0.0003288498627105689 0 0.00031152756305135644 5.871576606172229e-05 0 0.00028175573772378057 0.00016469182170988496 0.00013948077173440008 ascorbate-13C02 3.633877158990673e-05 0.0001778977846423344 0 0.00016909578952299808 0.00011132702726275866 0.00011575255699568921 0.00022695431490164086 0 0.00023639956643307667 0.00012319010753636788 ascorbate-13C03 0 8.802656309724399e-05 0 0 8.100496653400078e-05 0.00010959885932123784 3.918720804829683e-05 5.2590351263420806e-05 0.00014650064246474805 0.00023654475578453724 ascorbate-13C04 0.00010394546725570245 0.0003770676283819229 6.529480320005149e-05 4.323831765988457e-05 9.864335483526823e-05 0.0001462721667701936 0.00011673049995059625 0.0001589431908237911 1.316210868475001e-05 0.00019679713887391957 ascorbate-13C05 0.00013975749553623204 0 0.00013047369330673826 1.9637724733693456e-05 0.000303011505171499 1.2116518164630764e-05 0.0003087597877093297 0.00025261952684794286 0.00015089248998446678 0 ascorbate-13C06 3.940992699579797e-05 0 9.131815439551687e-05 0.00011200317615871418 9.789468205907665e-05 0.00018152410578612237 9.65960881312802e-06 0 0.00011483681379305199 0.0001149122848475121 ascorbate-ALL 0.000818211481193703 0.0007563005892476848 0.0007577023227838771 0.000823790635724327 0.001342258787569888 0.0007637742776571663 0.0008328584108076785 0.0008295561312386421 0.00112562860250095 0.0009664730078925238 bOHbutyrate-13C00 0 0.002175959888658095 0.009454372943171651 0.008310937542824222 0.006705562599562957 0.007973296398843087 0.006856375507178024 0.007077244609237676 0.008357779872821663 0.004909388471108322 bOHbutyrate-13C01 0 0.0010755008073919294 0.0009966208191351795 0.0006856438386414839 0 0.0015277517705578933 0.00019589555550898264 0.0003176344760557827 0 0.0006776481496414335 bOHbutyrate-13C02 0 0.0015612390582996605 0.0023746258001443826 0.0005382096181102375 0.0012324204399578856 0.0034970613186914943 0.0007842938599221396 0.0008160480360741683 0.0012873758351340538 0.0027472681983249513 bOHbutyrate-13C03 0 0.0023953834541851427 0.004603344892715319 1.9905745725450178e-05 0.0038940268540561805 0.00014595823234898496 1.5572436220311466e-06 4.2423615464774506e-05 0.0006161335882662998 0.0003346908602450936 bOHbutyrate-13C04 0 0.002995011100062729 0.00190839099856729 0.00023593974928696738 0.002642182215655497 0 0.0005156957340493591 0.00033608383295279304 0 0.0015159808116203839 bOHbutyrate-ALL 0 0.010203094308597557 0.019337355453733825 0.009790636494588362 0.01447419210923252 0.013144067720441459 0.008353817900280537 0.008589434569785193 0.010261289296222017 0.010184976490940184 citrate-13C00 0.00013588798829178704 0.00036709188824204193 0.00034827181365231196 9.003384517775143e-05 0.0006289198084746582 2.1363101171697988e-05 9.048140692997246e-05 0.00046698473472147874 2.692103481750234e-05 0.0004405211363570015 citrate-13C01 0 0 0 0 0 4.9688659625911295e-05 2.4354645950932084e-05 0.00014613641491380034 2.3593198176437885e-06 0.0002595990326478563 citrate-13C02 0 1.4306374804347525e-05 0 2.163405052307888e-05 0 0.0001889728569183022 4.29043290951138e-05 0 1.890398927478894e-05 0 citrate-13C03 2.415308207957122e-05 2.9078518830062312e-05 6.876545495725295e-05 2.5163317705193008e-05 0.00023631237430960433 0 8.230309897339445e-06 0 4.832150965677624e-05 4.630499003638391e-06 citrate-13C04 4.021776865550861e-05 0 0 3.446724237419252e-05 0 1.1859792099507285e-05 7.005086201577055e-05 0 4.6581858274451754e-05 4.9968971324097644e-05 citrate-13C05 3.460422760873882e-05 3.494989754077327e-05 3.527196731933229e-05 8.194230457678104e-05 7.340254172763367e-05 7.061222335483901e-05 1.5294758822132123e-05 3.681805308487092e-05 3.1959137709760516e-05 4.38977462414108e-05 citrate-13C06 3.703694135509298e-05 0 1.6536329953272538e-05 0 0 0 4.158836948668761e-05 3.6031010139207177e-05 0 3.321497016996727e-05 citrate-ALL 0.00027190000799069865 0.000445426679417225 0.00046884556588216975 0.0002532407603569969 0.0009386347245118963 0.0003424966331702578 0.00029290468219794806 0.0006859702128593571 0.00017504684955092358 0.000831832355743972 fumarate-13C00 0.004351205930796469 0.00816463853737246 0.000377733749904248 0.006878832464800708 0.004403564934452412 0.007025463469113968 0.004568824929320144 0.006439009929249582 0.00537834522018053 0.008868755088254446 fumarate-13C01 0.00028058510791910765 0.0006364860325767112 0.0011937078657401124 0 0.0005587827245178457 0 0 0.000770632644574944 0.0002040578793290376 0.0007532029979572173 fumarate-13C02 0 1.104455081801423e-05 0.00021249320222377254 0.0004606005940894236 0 0 0 0 2.759569755088936e-05 0 fumarate-13C03 0.0001384006128384939 0.00017289315017359827 0.00013298486963772373 0 0.0002333401560630146 0.0002819728189136751 0.00017062726003364405 0.0002129584051968729 8.59408393240311e-05 0.0002644001613692085 fumarate-13C04 0.00023402803321958624 0.002322688747717532 5.925932763104549e-05 0.0002884344362962213 0.001517256735757671 0.00020117539660090638 7.837240122440578e-05 0.0027379288286131587 4.393930966495357e-05 0.003347568346421711 fumarate-ALL 0.005004219684773657 0.011307751018658314 0.001976179015136902 0.007627867495186353 0.006712944550790943 0.007508611684628549 0.004817824590578194 0.010160529807634558 0.0057398789460494405 0.013233926594002582 lactate-13C00 0.0784369545887326 0.042848157746844924 0.031168697986585697 0.05959954187205535 0.04253137523200363 0.2782101908673463 0.05648307221179756 0.04032523629468966 0.22214582664361748 0.03205727634601211 lactate-13C01 0.0002896101440526451 0.0020565395969848544 0.0027143644337677872 0.0015472719472627067 0.002766173070246788 0.005959094748907395 0.0004976559815086184 0.0009378931367253603 0.006681849169798339 0.002714806561274884 lactate-13C02 0.0006982616260242813 0.002540745555637614 0.010190493297678863 0.0006952404158603159 0.0019188524482700016 0.0030013538276218014 0.0007991802287133981 0.0007817669456810183 0.00030343990211964886 0.006857656482317181 lactate-13C03 0.0031489753490760277 0.03474607529495456 0.22812181021809885 0.0022996986090401362 0.021404186787067524 0.0016739733134237536 0.0015636067596721459 0.005117106321900003 0.0025507498640838003 0.1837048912966041 lactate-ALL 0.08257380170788554 0.08219151819442196 0.2721953659361312 0.06414175284421851 0.06862058753758794 0.28884461275729917 0.059343515181691724 0.04716200269899604 0.23168186557961926 0.2253346306862083 pyroGlu-13C00 0.10803742672071472 0.13047243093390115 0.10147440336213595 0.09085761092333017 0.11206094473015896 0.10281285017499295 0.0905645142325324 0.1433153263924952 0.09417976909458807 0.1420953837264879 pyroGlu-13C01 0.009281453954520761 0.00886649254253166 0.00522162296846605 0.0045843495493945495 0.007837277337192179 0.006090569748532902 0.004988751198716706 0.010529016770089066 0.006265089868218787 0.008265248689071544 pyroGlu-13C02 0.0015613228148851743 0.0020380454718552086 0.0004781209694317926 0.001458293435631885 0 0.0009078653458729506 0.0021447563205494206 0.0025884895444736977 0.0002961073714977314 0.0016745162832295414 pyroGlu-13C03 0.000812754958242829 0.00022254796305223195 0.0010315499663024208 0.0005261877877054332 0.0007684922439891999 0 0 0.00014252468973578904 1.1204280208318422e-05 0.0005987691263854917 pyroGlu-13C04 0 2.359677900152436e-05 0 0.0001731109397095365 0 0.00022596617547841446 0 0 0 0 pyroGlu-13C05 0.00011427515762189806 9.495509888923186e-05 0 0.00013701446199858053 0.00011031981762842516 0 0.0001857738616973559 4.834183592781418e-06 0.0004910512844320717 2.3973808986739634e-05 pyroGlu-ALL 0.11980723360598539 0.14195394605448872 0.10844976517686725 0.09803670741109535 0.12111850426295558 0.11021148490110695 0.09821519878869377 0.15690913281293412 0.10129086626984814 0.15270212206791506 t-aconitate-13C00 5.943798467199202e-05 0.0002312863852059225 0 0.00010813010544660186 0.00016083360489119444 4.85350950644262e-05 8.41283563744893e-05 0.00012385679881603617 0.00010463496485542252 0.00026256240689897137 t-aconitate-13C01 0.0006516428931153276 3.471063607826594e-05 0 0 9.27705834901186e-05 0.0001178341840260083 0 7.504072671327159e-05 0 2.8643658611640018e-05 t-aconitate-13C02 0 4.614104923288345e-06 0 0.00016689440899375198 0 1.1489749741446298e-05 0.00010187107207664404 0 5.7949068313243426e-05 8.134446779970274e-05 t-aconitate-13C03 0 6.39991172237617e-05 0 8.520943495686076e-05 0.0001367265686643967 0 0 0.00017580979467606461 2.441603357976413e-05 7.791071569587742e-05 t-aconitate-13C04 1.6450878914851713e-05 0.00012810336019598216 0 4.5360328225369904e-05 0 1.6600942299296026e-05 8.4286597480893e-05 0 0.0001241289945163051 0.00021458827773594512 t-aconitate-13C05 0.00014018848580394158 3.66277616105991e-05 0 0.00012191179089083989 6.474927857460827e-05 6.8212337544325e-05 2.379634798574898e-05 4.850829221485204e-05 2.0240842825066157e-05 4.154860515040012e-05 t-aconitate-13C06 2.04325904011516e-05 3.399679033396192e-05 0 3.03648482349007e-05 0.0002099577906272189 0.00011386142149061301 4.273393244403266e-05 0 0 5.0789653543072346e-05 t-aconitate-ALL 0.0008881528329072644 0.0005333381555717816 0 0.0005578709167483251 0.0006650378262475369 0.0003765337301661148 0.000336816306361808 0.0004232156124202244 0.0003313699040898014 0.0007573877854356092 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name compound isotopologue isotopologue%type Ala-13C00 Ala 13C00 13C Ala-13C01 Ala 13C01 13C Ala-13C02 Ala 13C02 13C Ala-13C03 Ala 13C03 13C Ala-ALL Ala ALL 13C Arg-13C00 Arg 13C00 13C Arg-13C01 Arg 13C01 13C Arg-13C02 Arg 13C02 13C Arg-13C03 Arg 13C03 13C Arg-13C04 Arg 13C04 13C Arg-13C05 Arg 13C05 13C Arg-13C06 Arg 13C06 13C Arg-ALL Arg ALL 13C Asn-13C00 Asn 13C00 13C Asn-13C01 Asn 13C01 13C Asn-13C02 Asn 13C02 13C Asn-13C03 Asn 13C03 13C Asn-13C04 Asn 13C04 13C Asn-ALL Asn ALL 13C Asp-13C00 Asp 13C00 13C Asp-13C01 Asp 13C01 13C Asp-13C02 Asp 13C02 13C Asp-13C03 Asp 13C03 13C Asp-13C04 Asp 13C04 13C Asp-ALL Asp ALL 13C Cys-13C00 Cys 13C00 13C Cys-13C01 Cys 13C01 13C Cys-13C02 Cys 13C02 13C Cys-13C03 Cys 13C03 13C Cys-ALL Cys ALL 13C GAB-13C00 GAB 13C00 13C GAB-13C01 GAB 13C01 13C GAB-13C02 GAB 13C02 13C GAB-13C03 GAB 13C03 13C GAB-13C04 GAB 13C04 13C GAB-ALL GAB ALL 13C Gln-13C00 Gln 13C00 13C Gln-13C01 Gln 13C01 13C Gln-13C02 Gln 13C02 13C Gln-13C03 Gln 13C03 13C Gln-13C04 Gln 13C04 13C Gln-13C05 Gln 13C05 13C Gln-ALL Gln ALL 13C Glu-13C00 Glu 13C00 13C Glu-13C01 Glu 13C01 13C Glu-13C02 Glu 13C02 13C Glu-13C03 Glu 13C03 13C Glu-13C04 Glu 13C04 13C Glu-13C05 Glu 13C05 13C Glu-ALL Glu ALL 13C Gly-13C00 Gly 13C00 13C Gly-13C01 Gly 13C01 13C Gly-13C02 Gly 13C02 13C Gly-ALL Gly ALL 13C His-13C00 His 13C00 13C His-13C01 His 13C01 13C His-13C02 His 13C02 13C His-13C03 His 13C03 13C His-13C04 His 13C04 13C His-13C05 His 13C05 13C His-13C06 His 13C06 13C His-ALL His ALL 13C Ile-13C00 Ile 13C00 13C Ile-13C01 Ile 13C01 13C Ile-13C02 Ile 13C02 13C Ile-13C03 Ile 13C03 13C Ile-13C04 Ile 13C04 13C Ile-13C05 Ile 13C05 13C Ile-13C06 Ile 13C06 13C Ile-ALL Ile ALL 13C Isocitrate-13C00 Isocitrate 13C00 13C Isocitrate-13C01 Isocitrate 13C01 13C Isocitrate-13C02 Isocitrate 13C02 13C Isocitrate-13C03 Isocitrate 13C03 13C Isocitrate-13C04 Isocitrate 13C04 13C Isocitrate-13C05 Isocitrate 13C05 13C Isocitrate-13C06 Isocitrate 13C06 13C Isocitrate-ALL Isocitrate ALL 13C Itaconate-13C00 Itaconate 13C00 13C Itaconate-13C01 Itaconate 13C01 13C Itaconate-13C02 Itaconate 13C02 13C Itaconate-13C03 Itaconate 13C03 13C Itaconate-13C04 Itaconate 13C04 13C Itaconate-ALL Itaconate ALL 13C Kynurenic_acid-13C00 Kynurenic_acid 13C00 13C Kynurenic_acid-13C01 Kynurenic_acid 13C01 13C Kynurenic_acid-13C02 Kynurenic_acid 13C02 13C Kynurenic_acid-13C03 Kynurenic_acid 13C03 13C Kynurenic_acid-13C04 Kynurenic_acid 13C04 13C Kynurenic_acid-13C05 Kynurenic_acid 13C05 13C Kynurenic_acid-13C06 Kynurenic_acid 13C06 13C Kynurenic_acid-13C07 Kynurenic_acid 13C07 13C Kynurenic_acid-13C08 Kynurenic_acid 13C08 13C Kynurenic_acid-13C09 Kynurenic_acid 13C09 13C Kynurenic_acid-13C10 Kynurenic_acid 13C10 13C Kynurenic_acid-ALL Kynurenic_acid ALL 13C Kynurenine-13C00 Kynurenine 13C00 13C Kynurenine-13C01 Kynurenine 13C01 13C Kynurenine-13C02 Kynurenine 13C02 13C Kynurenine-13C03 Kynurenine 13C03 13C Kynurenine-13C04 Kynurenine 13C04 13C Kynurenine-13C05 Kynurenine 13C05 13C Kynurenine-13C06 Kynurenine 13C06 13C Kynurenine-13C07 Kynurenine 13C07 13C Kynurenine-13C08 Kynurenine 13C08 13C Kynurenine-ALL Kynurenine ALL 13C Leu-13C00 Leu 13C00 13C Leu-13C01 Leu 13C01 13C Leu-13C02 Leu 13C02 13C Leu-13C03 Leu 13C03 13C Leu-13C04 Leu 13C04 13C Leu-13C05 Leu 13C05 13C Leu-13C06 Leu 13C06 13C Leu-ALL Leu ALL 13C Lys-13C00 Lys 13C00 13C Lys-13C01 Lys 13C01 13C Lys-13C02 Lys 13C02 13C Lys-13C03 Lys 13C03 13C Lys-13C04 Lys 13C04 13C Lys-13C05 Lys 13C05 13C Lys-13C06 Lys 13C06 13C Lys-ALL Lys ALL 13C Malate-13C00 Malate 13C00 13C Malate-13C01 Malate 13C01 13C Malate-13C02 Malate 13C02 13C Malate-13C03 Malate 13C03 13C Malate-13C04 Malate 13C04 13C Malate-ALL Malate ALL 13C Met-13C00 Met 13C00 13C Met-13C01 Met 13C01 13C Met-13C02 Met 13C02 13C Met-13C03 Met 13C03 13C Met-13C04 Met 13C04 13C Met-13C05 Met 13C05 13C Met-ALL Met ALL 13C N-Ace-Asp-13C00 N-Ace-Asp 13C00 13C N-Ace-Asp-13C01 N-Ace-Asp 13C01 13C N-Ace-Asp-13C02 N-Ace-Asp 13C02 13C N-Ace-Asp-13C03 N-Ace-Asp 13C03 13C N-Ace-Asp-13C04 N-Ace-Asp 13C04 13C N-Ace-Asp-13C05 N-Ace-Asp 13C05 13C N-Ace-Asp-13C06 N-Ace-Asp 13C06 13C N-Ace-Asp-ALL N-Ace-Asp ALL 13C OHPro-13C00 OHPro 13C00 13C OHPro-13C01 OHPro 13C01 13C OHPro-13C02 OHPro 13C02 13C OHPro-13C03 OHPro 13C03 13C OHPro-13C04 OHPro 13C04 13C OHPro-13C05 OHPro 13C05 13C OHPro-ALL OHPro ALL 13C Orn-13C00 Orn 13C00 13C Orn-13C01 Orn 13C01 13C Orn-13C02 Orn 13C02 13C Orn-13C03 Orn 13C03 13C Orn-13C04 Orn 13C04 13C Orn-13C05 Orn 13C05 13C Orn-ALL Orn ALL 13C Phe-13C00 Phe 13C00 13C Phe-13C01 Phe 13C01 13C Phe-13C02 Phe 13C02 13C Phe-13C03 Phe 13C03 13C Phe-13C04 Phe 13C04 13C Phe-13C05 Phe 13C05 13C Phe-13C06 Phe 13C06 13C Phe-13C07 Phe 13C07 13C Phe-13C08 Phe 13C08 13C Phe-13C09 Phe 13C09 13C Phe-ALL Phe ALL 13C Pro-13C00 Pro 13C00 13C Pro-13C01 Pro 13C01 13C Pro-13C02 Pro 13C02 13C Pro-13C03 Pro 13C03 13C Pro-13C04 Pro 13C04 13C Pro-13C05 Pro 13C05 13C Pro-ALL Pro ALL 13C Ser-13C00 Ser 13C00 13C Ser-13C01 Ser 13C01 13C Ser-13C02 Ser 13C02 13C Ser-13C03 Ser 13C03 13C Ser-ALL Ser ALL 13C Succinate-13C00 Succinate 13C00 13C Succinate-13C01 Succinate 13C01 13C Succinate-13C02 Succinate 13C02 13C Succinate-13C03 Succinate 13C03 13C Succinate-13C04 Succinate 13C04 13C Succinate-ALL Succinate ALL 13C Thr-13C00 Thr 13C00 13C Thr-13C01 Thr 13C01 13C Thr-13C02 Thr 13C02 13C Thr-13C03 Thr 13C03 13C Thr-13C04 Thr 13C04 13C Thr-ALL Thr ALL 13C Trp-13C00 Trp 13C00 13C Trp-13C01 Trp 13C01 13C Trp-13C02 Trp 13C02 13C Trp-13C03 Trp 13C03 13C Trp-13C04 Trp 13C04 13C Trp-13C05 Trp 13C05 13C Trp-13C06 Trp 13C06 13C Trp-13C07 Trp 13C07 13C Trp-13C08 Trp 13C08 13C Trp-13C09 Trp 13C09 13C Trp-13C10 Trp 13C10 13C Trp-13C11 Trp 13C11 13C Trp-ALL Trp ALL 13C Tyr-13C00 Tyr 13C00 13C Tyr-13C01 Tyr 13C01 13C Tyr-13C02 Tyr 13C02 13C Tyr-13C03 Tyr 13C03 13C Tyr-13C04 Tyr 13C04 13C Tyr-13C05 Tyr 13C05 13C Tyr-13C06 Tyr 13C06 13C Tyr-13C07 Tyr 13C07 13C Tyr-13C08 Tyr 13C08 13C Tyr-13C09 Tyr 13C09 13C Tyr-ALL Tyr ALL 13C Val-13C00 Val 13C00 13C Val-13C01 Val 13C01 13C Val-13C02 Val 13C02 13C Val-13C03 Val 13C03 13C Val-13C04 Val 13C04 13C Val-13C05 Val 13C05 13C Val-ALL Val ALL 13C a-glycerol-3P_#1-13C00 a-glycerol-3P_#1 13C00 13C a-glycerol-3P_#1-13C01 a-glycerol-3P_#1 13C01 13C a-glycerol-3P_#1-13C02 a-glycerol-3P_#1 13C02 13C a-glycerol-3P_#1-13C03 a-glycerol-3P_#1 13C03 13C a-glycerol-3P_#1-ALL a-glycerol-3P_#1 ALL 13C a-glycerol-3P_#2-13C00 a-glycerol-3P_#2 13C00 13C a-glycerol-3P_#2-13C01 a-glycerol-3P_#2 13C01 13C a-glycerol-3P_#2-13C02 a-glycerol-3P_#2 13C02 13C a-glycerol-3P_#2-13C03 a-glycerol-3P_#2 13C03 13C a-glycerol-3P_#2-ALL a-glycerol-3P_#2 ALL 13C a-ketoglutarate-13C00 a-ketoglutarate 13C00 13C a-ketoglutarate-13C01 a-ketoglutarate 13C01 13C a-ketoglutarate-13C02 a-ketoglutarate 13C02 13C a-ketoglutarate-13C03 a-ketoglutarate 13C03 13C a-ketoglutarate-13C04 a-ketoglutarate 13C04 13C a-ketoglutarate-13C05 a-ketoglutarate 13C05 13C a-ketoglutarate-ALL a-ketoglutarate ALL 13C aOHglutarate-13C00 aOHglutarate 13C00 13C aOHglutarate-13C01 aOHglutarate 13C01 13C aOHglutarate-13C02 aOHglutarate 13C02 13C aOHglutarate-13C03 aOHglutarate 13C03 13C aOHglutarate-13C04 aOHglutarate 13C04 13C aOHglutarate-13C05 aOHglutarate 13C05 13C aOHglutarate-ALL aOHglutarate ALL 13C ascorbate-13C00 ascorbate 13C00 13C ascorbate-13C01 ascorbate 13C01 13C ascorbate-13C02 ascorbate 13C02 13C ascorbate-13C03 ascorbate 13C03 13C ascorbate-13C04 ascorbate 13C04 13C ascorbate-13C05 ascorbate 13C05 13C ascorbate-13C06 ascorbate 13C06 13C ascorbate-ALL ascorbate ALL 13C bOHbutyrate-13C00 bOHbutyrate 13C00 13C bOHbutyrate-13C01 bOHbutyrate 13C01 13C bOHbutyrate-13C02 bOHbutyrate 13C02 13C bOHbutyrate-13C03 bOHbutyrate 13C03 13C bOHbutyrate-13C04 bOHbutyrate 13C04 13C bOHbutyrate-ALL bOHbutyrate ALL 13C citrate-13C00 citrate 13C00 13C citrate-13C01 citrate 13C01 13C citrate-13C02 citrate 13C02 13C citrate-13C03 citrate 13C03 13C citrate-13C04 citrate 13C04 13C citrate-13C05 citrate 13C05 13C citrate-13C06 citrate 13C06 13C citrate-ALL citrate ALL 13C fumarate-13C00 fumarate 13C00 13C fumarate-13C01 fumarate 13C01 13C fumarate-13C02 fumarate 13C02 13C fumarate-13C03 fumarate 13C03 13C fumarate-13C04 fumarate 13C04 13C fumarate-ALL fumarate ALL 13C lactate-13C00 lactate 13C00 13C lactate-13C01 lactate 13C01 13C lactate-13C02 lactate 13C02 13C lactate-13C03 lactate 13C03 13C lactate-ALL lactate ALL 13C pyroGlu-13C00 pyroGlu 13C00 13C pyroGlu-13C01 pyroGlu 13C01 13C pyroGlu-13C02 pyroGlu 13C02 13C pyroGlu-13C03 pyroGlu 13C03 13C pyroGlu-13C04 pyroGlu 13C04 13C pyroGlu-13C05 pyroGlu 13C05 13C pyroGlu-ALL pyroGlu ALL 13C t-aconitate-13C00 t-aconitate 13C00 13C t-aconitate-13C01 t-aconitate 13C01 13C t-aconitate-13C02 t-aconitate 13C02 13C t-aconitate-13C03 t-aconitate 13C03 13C t-aconitate-13C04 t-aconitate 13C04 13C t-aconitate-13C05 t-aconitate 13C05 13C t-aconitate-13C06 t-aconitate 13C06 13C t-aconitate-ALL t-aconitate ALL 13C METABOLITES_END #END