#METABOLOMICS WORKBENCH huntermoseley_20180413 DATATRACK_ID:1371 STUDY_ID:ST000950 ANALYSIS_ID:AN001559 PROJECT_ID:PR000653 VERSION 1 CREATED_ON April 18, 2018, 3:26 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 galactose (part ST:STUDY_TITLE II) 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 galactose 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 - 20150602_NK_plate1-cells 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_20150602; protocol.id=blood_collection; lineage_3=Donor_SRP_blood_20150602_NK; cell_count=1800000; cell_type=NK; protocol.id=cell_extraction; lineage_4=Donor_SRP_blood_20150602_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_20150602_NK_plate1-cells; cell_type=NK; protocol.id=cell_quench_collection; lineage_6=Donor_SRP_blood_20150602_NK_plate1-cells-polar_GCMS_A; protocol.id=polar_extraction; replicate=1; replicate%type=analytical; type=polar; weight=-1; weight%units=g SUBJECT_SAMPLE_FACTORS - 20150602_NK_plate2-cells cell_type:NK protocol.id=galactose_12CGlc; lineage_1=Donor_SRP; protocol.id=normal; species=Homo sapiens; species_type=Animal; taxonomy_id=9606; lineage_2=Donor_SRP_blood_20150602; protocol.id=blood_collection; lineage_3=Donor_SRP_blood_20150602_NK; cell_count=1800000; cell_type=NK; protocol.id=cell_extraction; lineage_4=Donor_SRP_blood_20150602_NK_plate2; cell_type=NK; plate_media_tare=-1; plate_media_tare%units=g; protocol.id=galactose_12CGlc; replicate=1; replicate%type=biological; lineage_5=Donor_SRP_blood_20150602_NK_plate2-cells; cell_type=NK; protocol.id=cell_quench_collection; lineage_6=Donor_SRP_blood_20150602_NK_plate2-cells-polar_GCMS_A; protocol.id=polar_extraction; replicate=1; replicate%type=analytical; type=polar; weight=-1; weight%units=g SUBJECT_SAMPLE_FACTORS - 20150602_NK_plate3-cells 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_20150602; protocol.id=blood_collection; lineage_3=Donor_SRP_blood_20150602_NK; cell_count=1800000; cell_type=NK; protocol.id=cell_extraction; lineage_4=Donor_SRP_blood_20150602_NK_plate3; 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_20150602_NK_plate3-cells; cell_type=NK; protocol.id=cell_quench_collection; lineage_6=Donor_SRP_blood_20150602_NK_plate3-cells-polar_GCMS_A; protocol.id=polar_extraction; replicate=1; replicate%type=analytical; type=polar; weight=-1; weight%units=g SUBJECT_SAMPLE_FACTORS - 20150602_NK_plate4-cells cell_type:NK protocol.id=galactose_13CGlc; lineage_1=Donor_SRP; protocol.id=normal; species=Homo sapiens; species_type=Animal; taxonomy_id=9606; lineage_2=Donor_SRP_blood_20150602; protocol.id=blood_collection; lineage_3=Donor_SRP_blood_20150602_NK; cell_count=1800000; cell_type=NK; protocol.id=cell_extraction; lineage_4=Donor_SRP_blood_20150602_NK_plate4; cell_type=NK; plate_media_tare=-1; plate_media_tare%units=g; protocol.id=galactose_13CGlc; replicate=1; replicate%type=biological; lineage_5=Donor_SRP_blood_20150602_NK_plate4-cells; cell_type=NK; protocol.id=cell_quench_collection; lineage_6=Donor_SRP_blood_20150602_NK_plate4-cells-polar_GCMS_A; protocol.id=polar_extraction; replicate=1; replicate%type=analytical; type=polar; weight=-1; weight%units=g SUBJECT_SAMPLE_FACTORS - 20150602_T_memory_plate10-cells cell_type:CD8_T_memory protocol.id=galactose_12CGlc; lineage_1=Donor_SRP; protocol.id=normal; species=Homo sapiens; species_type=Animal; taxonomy_id=9606; lineage_2=Donor_SRP_blood_20150602; protocol.id=blood_collection; lineage_3=Donor_SRP_blood_20150602_T_memory; cell_count=1570000; cell_type=CD8_T_memory; protocol.id=cell_extraction; lineage_4=Donor_SRP_blood_20150602_T_memory_plate10; cell_type=CD8_T_memory; plate_media_tare=-1; plate_media_tare%units=g; protocol.id=galactose_12CGlc; replicate=1; replicate%type=biological; lineage_5=Donor_SRP_blood_20150602_T_memory_plate10-cells; cell_type=CD8_T_memory; protocol.id=cell_quench_collection; lineage_6=Donor_SRP_blood_20150602_T_memory_plate10-cells-polar_GCMS_A; protocol.id=polar_extraction; replicate=1; replicate%type=analytical; type=polar; weight=-1; weight%units=g SUBJECT_SAMPLE_FACTORS - 20150602_T_memory_plate11-cells 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_20150602; protocol.id=blood_collection; lineage_3=Donor_SRP_blood_20150602_T_memory; cell_count=1570000; cell_type=CD8_T_memory; protocol.id=cell_extraction; lineage_4=Donor_SRP_blood_20150602_T_memory_plate11; 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_20150602_T_memory_plate11-cells; cell_type=CD8_T_memory; protocol.id=cell_quench_collection; lineage_6=Donor_SRP_blood_20150602_T_memory_plate11-cells-polar_GCMS_A; protocol.id=polar_extraction; replicate=1; replicate%type=analytical; type=polar; weight=-1; weight%units=g SUBJECT_SAMPLE_FACTORS - 20150602_T_memory_plate12-cells cell_type:CD8_T_memory protocol.id=galactose_13CGlc; lineage_1=Donor_SRP; protocol.id=normal; species=Homo sapiens; species_type=Animal; taxonomy_id=9606; lineage_2=Donor_SRP_blood_20150602; protocol.id=blood_collection; lineage_3=Donor_SRP_blood_20150602_T_memory; cell_count=1570000; cell_type=CD8_T_memory; protocol.id=cell_extraction; lineage_4=Donor_SRP_blood_20150602_T_memory_plate12; cell_type=CD8_T_memory; plate_media_tare=-1; plate_media_tare%units=g; protocol.id=galactose_13CGlc; replicate=1; replicate%type=biological; lineage_5=Donor_SRP_blood_20150602_T_memory_plate12-cells; cell_type=CD8_T_memory; protocol.id=cell_quench_collection; lineage_6=Donor_SRP_blood_20150602_T_memory_plate12-cells-polar_GCMS_A; protocol.id=polar_extraction; replicate=1; replicate%type=analytical; type=polar; weight=-1; weight%units=g SUBJECT_SAMPLE_FACTORS - 20150602_T_memory_plate9-cells 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_20150602; protocol.id=blood_collection; lineage_3=Donor_SRP_blood_20150602_T_memory; cell_count=1570000; cell_type=CD8_T_memory; protocol.id=cell_extraction; lineage_4=Donor_SRP_blood_20150602_T_memory_plate9; 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_20150602_T_memory_plate9-cells; cell_type=CD8_T_memory; protocol.id=cell_quench_collection; lineage_6=Donor_SRP_blood_20150602_T_memory_plate9-cells-polar_GCMS_A; protocol.id=polar_extraction; replicate=1; replicate%type=analytical; type=polar; weight=-1; weight%units=g SUBJECT_SAMPLE_FACTORS - 20150602_T_naive_plate5-cells 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_20150602; protocol.id=blood_collection; lineage_3=Donor_SRP_blood_20150602_T_naive; cell_count=2040000; cell_type=CD8_T_naive; protocol.id=cell_extraction; lineage_4=Donor_SRP_blood_20150602_T_naive_plate5; 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_20150602_T_naive_plate5-cells; cell_type=CD8_T_naive; protocol.id=cell_quench_collection; lineage_6=Donor_SRP_blood_20150602_T_naive_plate5-cells-polar_GCMS_A; protocol.id=polar_extraction; replicate=1; replicate%type=analytical; type=polar; weight=-1; weight%units=g SUBJECT_SAMPLE_FACTORS - 20150602_T_naive_plate6-cells cell_type:CD8_T_naive protocol.id=galactose_12CGlc; lineage_1=Donor_SRP; protocol.id=normal; species=Homo sapiens; species_type=Animal; taxonomy_id=9606; lineage_2=Donor_SRP_blood_20150602; protocol.id=blood_collection; lineage_3=Donor_SRP_blood_20150602_T_naive; cell_count=2040000; cell_type=CD8_T_naive; protocol.id=cell_extraction; lineage_4=Donor_SRP_blood_20150602_T_naive_plate6; cell_type=CD8_T_naive; plate_media_tare=-1; plate_media_tare%units=g; protocol.id=galactose_12CGlc; replicate=1; replicate%type=biological; lineage_5=Donor_SRP_blood_20150602_T_naive_plate6-cells; cell_type=CD8_T_naive; protocol.id=cell_quench_collection; lineage_6=Donor_SRP_blood_20150602_T_naive_plate6-cells-polar_GCMS_A; protocol.id=polar_extraction; replicate=1; replicate%type=analytical; type=polar; weight=-1; weight%units=g SUBJECT_SAMPLE_FACTORS - 20150602_T_naive_plate7-cells 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_20150602; protocol.id=blood_collection; lineage_3=Donor_SRP_blood_20150602_T_naive; cell_count=2040000; cell_type=CD8_T_naive; protocol.id=cell_extraction; lineage_4=Donor_SRP_blood_20150602_T_naive_plate7; 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_20150602_T_naive_plate7-cells; cell_type=CD8_T_naive; protocol.id=cell_quench_collection; lineage_6=Donor_SRP_blood_20150602_T_naive_plate7-cells-polar_GCMS_A; protocol.id=polar_extraction; replicate=1; replicate%type=analytical; type=polar; weight=-1; weight%units=g SUBJECT_SAMPLE_FACTORS - 20150602_T_naive_plate8-cells cell_type:CD8_T_naive protocol.id=galactose_13CGlc; lineage_1=Donor_SRP; protocol.id=normal; species=Homo sapiens; species_type=Animal; taxonomy_id=9606; lineage_2=Donor_SRP_blood_20150602; protocol.id=blood_collection; lineage_3=Donor_SRP_blood_20150602_T_naive; cell_count=2040000; cell_type=CD8_T_naive; protocol.id=cell_extraction; lineage_4=Donor_SRP_blood_20150602_T_naive_plate8; cell_type=CD8_T_naive; plate_media_tare=-1; plate_media_tare%units=g; protocol.id=galactose_13CGlc; replicate=1; replicate%type=biological; lineage_5=Donor_SRP_blood_20150602_T_naive_plate8-cells; cell_type=CD8_T_naive; protocol.id=cell_quench_collection; lineage_6=Donor_SRP_blood_20150602_T_naive_plate8-cells-polar_GCMS_A; protocol.id=polar_extraction; replicate=1; replicate%type=analytical; type=polar; weight=-1; 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 Grown in unlabeled glucose and treated with galactose. Grown in labeled glucose TR:TREATMENT_SUMMARY and treated with galactose. Normal human, no treatment. Grown in unlabeled TR:TREATMENT_SUMMARY glucose. Grown in labeled glucose. TR:TREATMENT_PROTOCOL_ID galactose_12CGlc galactose_13CGlc normal normal_12CGlc normal_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 20150602_NK_plate1-cells 20150602_NK_plate2-cells 20150602_NK_plate3-cells 20150602_NK_plate4-cells 20150602_T_memory_plate10-cells 20150602_T_memory_plate11-cells 20150602_T_memory_plate12-cells 20150602_T_memory_plate9-cells 20150602_T_naive_plate5-cells 20150602_T_naive_plate6-cells 20150602_T_naive_plate7-cells 20150602_T_naive_plate8-cells Factors cell_type:NK cell_type:NK 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 ASn-13C05 0 0 0 0 0 0 0 0 0 0 0 0 Ala-13C00 0.26842502010515085 0.2709514819780732 0.1844477762492405 0.3501388060356694 0.20624378375176725 0.3677076035146519 0.20224758627980258 0.4466444494130708 0.23681744476206018 0.20094891628752165 0.2024775668177454 0.1685142845373408 Ala-13C01 0.024688405065154136 0.027352026222758823 0.03016382575432759 0.048251802232602725 0.027527947929962222 0.043478383199918355 0.028518314451348028 0 0.025456816687438072 0.022721687423994302 0.027357926363278034 0.02745809809837362 Ala-13C02 0 0 0 0 0 0.019889218562749115 0 0 0 0 0 0 Ala-13C03 0 0 0 0.04074288124427555 0.05573739585685206 0.11253107761707139 0.08500580658585555 0.07643697647564723 0 0.04818909807560801 0.07366007034880101 0 Ala-13C04 0 0 0 0 0 0 0 0 0 0 0 0 Ala-ALL 0.29311342517030503 0.29830350820083207 0.2146116020035681 0.4391334895125476 0.28950912753858155 0.5436062828943907 0.31577170731700616 0.5230814258887181 0.2622742614494982 0.271859701787124 0.30349556352982443 0.19597238263571443 Arg-13C00 0 0 0 0 0 0 0 0 0 0 0 0 Arg-13C01 0 0 0 0 0 0 0 0 0 0 0 0 Arg-13C02 0 0 0 0 0 0 0 0 0 0 0 0 Arg-13C03 0 0 0 0 0 0 0 0 0 0 0 0 Arg-13C04 0 0 0 0 0 0 0 0 0 0 0 0 Arg-13C05 0 0 0 0 0 0 0 0 0 0 0 0 Arg-13C06 0 0 0 0 0 0 0 0 0 0 0.28607363907511346 0 Arg-ALL 0 0 0 0 0 0 0 0 0 0 0 0 Asn-13C00 0 0 0 0 0 0 0 0 0 0 0 0 Asn-13C01 0 0 0 0 0 0 0 0 0 0 0 0 Asn-13C02 0 0 0 0 0 0 0 0 0 0 0 0 Asn-13C03 2.7168822107776003 3.3048857282240096 0 0 0 6.585994561262242 4.814506885190688 0 2.0030199127214336 1.5906088315931088 2.090758674552745 1.2753272301069927 Asn-13C04 2.7168822107776003 3.3048857282240096 0 0 0 6.585994561262242 4.814506885190688 0 2.0030199127214336 1.5906088315931088 2.090758674552745 1.2753272301069927 Asn-13C06 0 0 0 0 0 0 0 0 0 0 0 0 Asn-ALL 0.1252182490188414 0.24587556521171408 0 0 0 0 0 0 0 0 0 0 Asp-13C00 0 0 0 0 0 0 0 0 0 0 0 0 Asp-13C01 0 0 0 0 0 0 0 0 0 0 0 0 Asp-13C02 0.7120635259122088 0.34814977123008256 0 0.31224245351554863 0 0 0 0 0 0 0.242492612863875 0 Asp-13C03 0 0 0 0.1555076000627226 0 0 0.21065987641923378 0 0 0 0 0 Asp-13C04 0 0 0 0 0 0 0 0 0 0 0 0 Asp-13C05 0 0 0 0 0 0 0 0 0 0 0 0 Asp-ALL 0 0 0 0 0 0 0 0 0 0 0 0 Cys-13C00 0 0 0 0 0 0 0 0 0 0 0 0 Cys-13C01 0 0 0 0 0 0 0 0 0 0 0 0 Cys-13C02 1.9597681822862774 2.3667570450759903 2.001231579002285 4.383727071631749 4.952556173607231 5.068393418335899 4.506532271457087 5.492339955232898 6.026293861685347 3.018294644821079 4.216464793168427 1.818155169079814 Cys-13C03 1.7977222051476298 2.204167243251651 1.233417046636854 2.6263852659754163 4.7747609002882205 2.3112448876932614 1.668672827396247 4.995428971222756 5.764713133559874 2.8412299823585276 1.8875427132973008 0.8632809547948421 Cys-ALL 0 0 0 0 0 0 0 0 0 0 0 0 GAB-13C00 0 0.2823042207448352 0 0.1964120154919494 0.3396654760432429 0 0.6135745928226939 0 0.22737738045355976 0.2334560230565002 0 0 GAB-13C01 0 0.2823042207448352 0 0.1964120154919494 0.3396654760432429 0 0.37245907931797373 0 0.22737738045355976 0.2334560230565002 0 0 GAB-13C02 0 0 0 0 0 0 0.2411155135047201 0 0 0 0 0 GAB-13C03 0 0 0 0 0 0 0 0 0 0 0 0 GAB-13C04 0 0 0 0 0 0 0 0 0 0 0 0 GAB-13C05 0 0 0 0 0 0 0 0 0 0 0 0 GAB-ALL 0 0 0 0 0 0 0 0 0 0 0 0 Gln-13C00 0.15773776652311128 0 0 0.27839500597871575 0 0 0.17415862107601845 0 0 0 0.1276573211928419 0 Gln-13C01 0 0 0 0 0 0 0 0 0 0 0 0 Gln-13C02 0 0 0 0 0 0 0 0 0 0 0 0 Gln-13C03 0 0 0 0 0 0 0 0 0 0 0 0 Gln-13C04 0 0 0 0 0 0 0 0 0 0 0 0 Gln-13C05 0 0 0 0 0 0 0 0 0 0 0 0 Gln-13C06 0 0 0 0 0 0 0 0 0 0 0 0 Gln-13C07 0 0 0 0 0 0 0 0 0 0 0 0 Gln-ALL 0.15773776652311128 0 0 0.27839500597871575 0 0 0.17415862107601845 0 0 0 0.1276573211928419 0 Glu-13C00 0.032610186282093626 0.0760265607333885 0.1088878160308007 0.3904312305356499 0.07840177822666908 0.5010889208323196 0.7251883153697762 0.005459808114557738 0.09747134607199001 0.005385647439386201 0.5698437884942877 0.24778635025500137 Glu-13C01 0.025373570680231265 0 0.01078835761388843 0.16995582691428243 0.07132995011298297 0.36130358013891883 0.16739982741080423 0 0.03672120445796233 0.05547525871355835 0.2549103371970813 0.10174489562563843 Glu-13C02 0 0 0.06757014471172072 0.17744112353723115 0 0.5307974000488149 0.3366752292864335 0 0 0 0.29545322431774773 0.08058616906497218 Glu-13C03 0 0 0 0.056317285715433034 0 0.1642099391789694 0.21323976042828713 0 0 0 0.13558097841962385 0.06491194507198311 Glu-13C04 0.1374474808890502 0.2909961206807832 0.08306337311889972 0.2692680295509932 0.08633683864386048 0.3260806435174627 0.15168454869800466 0.17393435632731338 0.18290870721769217 0.11112598982611178 0.11941141346059192 0.04344478173477671 Glu-13C05 0.1374474808890502 0.2704129560354851 0.08306337311889972 0.24546864497474005 0.08633683864386048 0.30503466572190274 0.11639831992856174 0.14802089845318625 0.11189263925068772 0.11112598982611178 0.10728075104190422 0.04344478173477671 Glu-13C06 0 0 0 0.023799384576253208 0 0 0.03528622876944291 0.02591345787412711 0.07101606796700446 0 0.012130662418687719 0 Glu-ALL 0.10406222017632219 0.08656324109095158 0.5805682140090209 1.0195136246691687 0.02806354497935872 1.363958629622583 1.6085960719938266 0.4914511758955859 0.12738817759552046 0.11620375630960679 1.2087147298620098 0.5247567993393597 Gly-13C00 0.5296764170377828 0.375584196785836 0.36530445375216436 0.5377131246766832 0.46770690583760677 0.648631212555456 0.40915444850343574 0.739379003374215 0.4010567593059906 0.3834692364298501 0.31171880209648944 0.31754414715081175 Gly-13C01 0 0 0.05156922340439871 0.009829285588589243 0.0034619483262152777 0.0490576138399822 0.09364445738135932 0.07176277920401462 0.01426541730813867 0.023727801137708768 0.0023416704273566884 0 Gly-13C02 0.047194367224722956 0 0 0.016083325534631796 0 0.0016202733765104437 0 0 0.021493908085360214 0.01319006743915061 0.048654310181959246 0.017255572839705094 Gly-13C03 0 0.050324528231379416 0 0 0 0.32831593793623853 0.05303264848210837 0.061474879343259965 0.040573227738908854 0 0 0.04972995986035601 Gly-ALL 0.5768707842625057 0.375584196785836 0.41687367715656315 0.5636257357999042 0.47116885416382204 0.6993090997719487 0.502798905884795 0.8111417825782297 0.43681608469948946 0.4203871050067094 0.36271478270580537 0.33479971999051683 His-13C00 0 0 0 0 0 0 0 0 0 0 0 0 His-13C01 0 0 0 0 0 0 0 0 0 0 0 0 His-13C02 0 0 0 0 0 0 0 0 0 0 0 0 His-13C03 0 0 0 0 0 0 0 0 0 0 0 0 His-13C04 0 0 0 0 0 0 0 0 0 0 0 0 His-13C05 0 0 0 0 0 0 0 0 0 0 0 0 His-13C06 0 0 0 0 0 0 0 0 0 0 0 0 His-ALL 0 0.18258866931984374 0 0 0 0 0 0 0.15051924734509162 0 0 0 Ile-13C00 0.5278361906705535 1.559550161104795 0.43221629774651177 1.2226983757085441 0.5714983026471651 1.3132518093493284 0.5452632274930742 0.7668152674487779 1.0723654483750504 0.6895270191974492 0.6503421780772665 0.29729231038584003 Ile-13C01 0.08463171122513742 0.22711258617280602 0 0.21307354752649366 0.05669277913799915 0.3238863339449827 0.12116629272177998 0.17289785023693485 0.21133287993365193 0.0985282907128218 0.1675341769257413 0.08377789879420254 Ile-13C02 0 0 0 0 0.11435392407345102 0.02568089802548958 0 0 0 0 0 0 Ile-13C03 0 0.1365271281855879 0 0.27177712335766513 0 0.19865225012077253 0 0 0 0 0.264771439298453 0.18011242270060865 Ile-13C04 0.19344276723372653 0 0 0 0 0 0 0 0 0 0 0 Ile-13C05 0 0 0 0 0 0 0 0 0 0 0 0 Ile-13C06 0 0 0 0 0 0 0 0 0 0 0 0 Ile-ALL 0.8059106691294174 1.923189875463189 0.43221629774651177 1.7075490465927026 0.7425450058586153 1.861471291440573 0.6664295202148542 0.9397131176857126 1.2836983283087025 0.7880553099102711 1.082647794301461 0.5611826318806511 Leu-13C00 0.6634635831894339 1.7667535435479065 0.4512240331326636 1.407121208261547 0.6284709201255945 1.5472472701849656 0.6389599737597154 0.8131772158928818 1.353435877478555 0.8442390282331755 0.5595686831309535 0.2977954914014927 Leu-13C01 0.1213383609464379 0.015432918997736102 0 0.059814868873627976 0.1985846898568377 0.07969217971022745 1.2607836356317572 0.06530132759040831 0.15467219799280774 0.1628841647654262 0.08557005673310948 0 Leu-13C02 0 0.11851821850853132 0 0.05506350659464193 0.3453712344010151 0 0.2672875724396308 0 0 0 0.089226560234282 0 Leu-13C03 0.8349984477294699 0.32084380835425075 0.5360479881669582 0.4997688095750906 0.7102621792182895 0 0.3196830738139573 0.2951505244317484 0 0.3061304618849294 0 0.20580147263227302 Leu-13C04 0.0778538431977475 0.18575724522302012 0.3026964531405592 0.4066033136739958 0.15635980194142646 0.3338271808695407 0.25391246584883254 0.16864408216945825 0 0 0.1891803101005329 0.37928391520163196 Leu-13C05 0 0 0 0 0 0 0.1989811809726302 0 0 0 0 0 Leu-13C06 0 0 0 0 0 0 0 0 0 0 0 0 Leu-ALL 1.697654235063089 2.4073057346314446 1.2899684744401811 2.4283717069789033 2.039048825543163 1.9607666307647345 2.939607902466524 1.3422731500844969 1.5081080754713632 1.3132536548835312 0.9235456101988779 0.8828808792353976 Lys-13C00 0.3149708257058825 0.26342568357825996 0.17686088839169878 0.43763302115010533 0.2400571048342583 113.44411162644107 109.33856620733286 0.3231369917583217 0.30257928074842866 0.09490740461165285 0.17303751665891026 0.05108595965190675 Lys-13C01 0.27009281109545874 0.22458175580459988 0.07766406623373323 0.25293390736618737 0.2240448848658508 106.16842385032484 99.91452162239442 0.2772033153264354 0.2740938065632465 0.09229926564000897 0.07281772255653877 0.029979828619965315 Lys-13C02 0.006845187195484421 0.01740819938524998 0.05600100840623757 0.08646300357198076 0.013501496947966275 5.977578217474733 7.488462265521364 0.010888103152300783 0.021344004949184016 0.0012882458808919793 0.04279340205895355 0.01677627432561743 Lys-13C03 0.010344126289689318 0 0.010109818196305756 0.03988700488003913 0.002510723020441212 1.217605726768601 1.9152460310605457 0.03358627971968475 0.004053217107428476 0.001319893090751926 0.014200540190042294 0.004329856706324017 Lys-13C04 0.027688701125250015 0.02143572838841011 0.015892459287470278 0.03212121284046369 0 0.008076774341671691 0 0.0014592935599007566 0.0030882521285696845 0 0.01611607436096929 0 Lys-13C05 0 0 0 0.004947371403529878 0 0.07242705753120866 0 0 0 0 0.016512660418998428 0 Lys-13C06 0 0 0.017193536267951996 0.021280521087904496 0 0 0.02033628835653784 0 0 0 0.010597117073407925 0 Lys-ALL 0 0 0 0 0 0 0 0 0 0 0 0 Malate-13C00 0 0 0 0 0 0 0 0 0 0 0 0 Malate-13C01 0.43645365505050704 0.8195262463422424 0.28997335172855626 0.7010168674914652 0.4608031014032987 0.9432727767882173 0.42413297903803887 1.4147342668982164 0.6252104654765511 0.2285879627086798 0.44548170882110344 0.25420537920784975 Malate-13C02 0.43645365505050704 0.8070340417713789 0.28997335172855626 0.7010168674914652 0.3879352228592271 0.9144162376780807 0.42413297903803887 1.2936554718618323 0.5761543678572492 0.2285879627086798 0.36769322330091864 0.25420537920784975 Malate-13C03 0 0.012492204570863346 0 0 0.07286787854407162 0.02885653911013669 0 0.12107879503638408 0.04905609761930194 0 0.07778848552018479 0 Malate-13C04 0 0 0 0 0 0 0 0 0 0 0 0 Malate-ALL 0 0 0 0 0 0 0 0 0 0 0 0 Met-13C00 0.4803027739174251 0.4381845183930895 0.2590502156405368 0.5137777238716135 0.36078539728930537 0.5212354695650289 0.14918053160632289 0.894063691094196 0.5237260391844611 0.22814215384360426 0.20438216368864048 0.19190313889749167 Met-13C01 0.03707710377653163 0.1721877167941732 0 0.05421362191301519 0.06694086014196891 0.1491378023448602 0.14765183042283916 0.038835714814762876 0.05823634344429491 0 0.06200210453844567 0.052508162537465826 Met-13C02 0 0 0 0 0 0 0.11709994884606192 0 0 0 0 0 Met-13C03 0 0 0 0 0 0.07386933727999422 0 0 0 0 0 0 Met-13C04 0 0 0 0 0 0 0 0 0 0 0 0 Met-13C05 0 0 0 0 0 0 0 0 0 0 0 0 Met-ALL 0.5173798776939565 0.6103722351872627 0.2590502156405368 0.7699199625762614 0.4277262574312743 0.7442426091898834 0.4139323108752239 0.9328994059089588 0.581962382628756 0.22814215384360426 0.26638426822708616 0.24441130143495748 OHPro-13C00 0 0 0 0 0 0 0 0 0 0 0 0 OHPro-13C01 0 0 0 0 0 0 0 0 0 0 0 0 OHPro-13C02 0 0 0 0 0 0 0 0 0 0 0 0 OHPro-13C03 0 0 0 0 0 0 0 0 0 0 0 0 OHPro-13C04 0 0 0 0 0 0 0 0 0 0 0 0 OHPro-13C05 0 0 0 0 0 0 0 0 0 0 0 0 OHPro-ALL 0 0 0 0 0 0 0 0 0 0 0 0 Orn-13C00 0 0 0 0 0 0 0 0 0 0 0 0 Orn-13C01 0 0 0 0 0 0 0 0 0 0 0 0 Orn-13C02 0 0 0 0 0 0 0 0 0 0 0 0 Orn-13C03 1.98686657441478 1.6994006230708514 0.8472141112722378 1.2455169486524043 1.2849442516045797 1.8725694827492187 2.0546305107590475 1.3929891591909784 0.9948659696174752 0.8998984078365133 1.3950755404204713 1.081329700491151 Orn-13C04 1.5531452783059445 1.2214054845636617 0.8472141112722378 1.1562772420113316 1.2849442516045797 1.8725694827492187 1.9027777077369292 1.2135655285210294 0.9948659696174752 0.7273620351857414 1.3946046396588443 1.081329700491151 Orn-13C05 0.30850304708999376 0.232119573295476 0 0.08923970664107254 0 0 0.15185280302211823 0.17942363066994899 0 0.17253637265077193 0.00047090076162700046 0 Orn-ALL 0 0.02058316464529813 0 0 0 0.021045977795559907 0 0 0 0 0 0 Phe-13C00 0.5519563994016323 0.33934453204449166 0.3092892497826424 0.4137090115035933 0.2868086607072268 0.43038771075369286 0 0.493586058339404 0.24384977911670733 0.23148424579703428 0.27153572160787465 0.24416022956073244 Phe-13C01 0.5348012446876149 0.2528720734223444 0.26804997180341006 0.359645852888497 0.2868086607072268 0.35019082409219693 0 0.47644429266045407 0.24384977911670733 0.23148424579703428 0.21525698845496763 0.24416022956073244 Phe-13C02 0.01715515471401764 0.0864724586221473 0.04123927797923235 0.054063158615096286 0 0.08019688666149587 0 0.017141765678950024 0 0 0.05627873315290702 0 Phe-13C03 0 0 0 0 0 0 0 0 0 0 0 0 Phe-13C04 0 0 0 0 0 0 0 0 0 0 0 0 Phe-13C05 0 0 0 0 0 0 0 0 0 0 0 0 Phe-13C06 0 0 0 0 0 0 0 0 0 0 0 0 Phe-13C07 0.9346880590392029 0.8108946189076034 0 1.0580607106125448 0.20646738592194439 0.6873175395786325 0.5314595245748959 0.4743419714722713 0.43524997335279775 0 0.42390218654856626 0 Phe-13C08 0.22262453312699415 0.46274484767752083 0 0.5162633765801541 0.20646738592194439 0.5072218020126934 0.320799648155662 0.4743419714722713 0.34592593057888066 0 0.1814095736846913 0 Phe-13C09 0 0 0 0.07404728045411943 0 0.1800957375659391 0 0 0.08932404277391708 0 0 0 Phe-ALL 0 0 0 0 0 0 0 0 0 0 0 0 Pro-13C00 0.19190197736621803 0.27432132888465416 0.14844689481424828 0.39418481603916905 0.26438255043172965 0.46345255360456095 0.2049404684210149 0.40443863788579426 0.31573184718240777 0.11992823273096909 0.23580298345719877 0.059781459359770715 Pro-13C01 0.11875708890129959 0.27432132888465416 0.14844689481424828 0.2700256363323974 0.17490812424758484 0.31617543785222574 0.2049404684210149 0.25585583501686576 0.2361303267741467 0.11992823273096909 0.14597443260586537 0.059781459359770715 Pro-13C02 0 0 0 0.027845112494920957 0 0.028072741857749647 0 0.062255037560708576 0.021197780386560623 0 0 0 Pro-13C03 0 0 0 0 0 0 0 0 0 0 0 0 Pro-13C04 0 0 0 0 0.08947442618414472 0 0 0 0 0 0 0 Pro-13C05 0 0 0 0 0 0 0 0 0 0 0 0 Pro-13C06 0.07314488846491844 0 0 0.09631406721185073 0 0.11920437389458556 0 0.08632776530821999 0.05840374002170045 0 0.08982855085133339 0 Pro-ALL 0 0 0 0 0 0 0 0 0 0 0 0 SeMet-ALL 0 0 0 0 0 0 0 0 0 0 0 0 Ser-13C00 0.46953629466406277 0.372708977643158 0 0.3144006202247392 0.312057260111633 0.474829430694522 0.316908981806812 0.294349167272649 0.3110730139605772 0.2255634152355402 0.31548567729849875 0.30985867578253123 Ser-13C01 0.46953629466406277 0.372708977643158 0 0.3144006202247392 0.312057260111633 0.474829430694522 0.316908981806812 0.294349167272649 0.3110730139605772 0.2255634152355402 0.31548567729849875 0.1655960345426016 Ser-13C02 0 0 0 0 0 0 0 0 0 0 0 0 Ser-13C03 0 0 0 0 0 0 0 0 0 0 0 0 Ser-13C04 0 0 0 0 0 0 0 0 0 0 0 0 Ser-ALL 0 0 0 0 0 0 0 0 0 0 0 0 Succinate-13C00 7.814308131752849 6.243368303545927 5.006337135696124 5.875677301372725 5.850082410091599 8.864645692006636 9.228210893566427 7.397894076843226 5.569129124662223 5.104442181942001 5.697940876339771 3.8998622102421425 Succinate-13C01 6.589839868413134 5.878571541424487 4.252414891850468 4.90243657840953 5.163017336540501 8.085400529482342 8.178865920195756 6.440690904703322 4.348145031890262 4.477833884058138 5.064048793252037 3.5245519905182836 Succinate-13C02 0.9071395083959163 0.15795194483764768 0.29692916157485716 0.3321433671459389 0.1904742019993628 0.2546496867897398 0.691077164424214 0.6135601911301494 0.354877867665454 0.31665019937276256 0.5338464959165273 0.3698122282057468 Succinate-13C03 0.2084905829080331 0.03169294955854396 0.2580145877885871 0.6410973558172565 0.2077375297571811 0.5245954757345552 0.3582678089464557 0 0.6765241847185401 0.3099580985110987 0.1000455871712064 0.005497991518112557 Succinate-13C04 0.10883817203576546 0.17515186772524843 0.19897849448221283 0 0.2888533417945545 0 0 0.3436429810097535 0.18958204038796705 0 0 0 Succinate-ALL 0 0 0 0 0 0 0 0 0 0 0 0 Thr-13C00 0 0.05328861863747715 0 0 0 0.07165601553962142 0 0 0 0 0 0 Thr-13C01 0 0.05328861863747715 0 0 0 0.07165601553962142 0 0 0 0 0 0 Thr-13C02 0 0 0 0 0 0 0 0 0 0 0 0 Thr-13C03 0 0 0 0 0 0 0 0 0 0 0 0 Thr-13C04 0 0 0 0 0 0 0 0 0 0 0 0 Thr-ALL 0 0 0 0.20192861679163288 0 0 0 0 0 0 0 0 Trp-13C00 0 0 0 0 0 0.026142326582146488 0 0 0 0 0 0 Trp-13C01 0 0 0 0 0 0 0 0 0 0 0 0 Trp-13C02 0 0 0 0 0 0 0 0 0 0 0 0 Trp-13C03 0 0 0 0 0 0 0 0 0 0 0 0 Trp-13C04 0 0 0 0 0 0 0 0 0 0 0 0 Trp-13C05 0 0 0 0 0 0 0 0 0 0 0 0 Trp-13C06 0 0 0 0 0 0 0 0 0 0 0 0 Trp-13C07 0 0 0 0 0 0 0 0 0 0 0 0 Trp-13C08 0 0 0 0 0 0 0 0 0 0 0 0 Trp-13C09 0 0 0 0 0 0 0 0 0 0 0 0 Trp-13C10 0 0 0 0 0 0 0 0 0 0 0 0 Trp-13C11 0 0 0 0 0 0 0 0 0 0 0 0 Trp-ALL 0 0 0 0 0 0.021903390542833027 0 0 0 0 0 0 Tyr-13C00 0 0 0 0 0 0 0 0 0 0 0 0 Tyr-13C01 0 0 0 0 0 0 0 0 0 0 0 0 Tyr-13C02 0 0 0 0 0 0 0 0 0 0 0 0 Tyr-13C03 0 0 0 0 0 0 0 0 0 0 0 0 Tyr-13C04 0 0 0 0 0 0 0 0 0 0 0 0 Tyr-13C05 0 0 0 0 0 0 0 0 0 0 0 0 Tyr-13C06 0 0 0 0 0 0 0 0 0 0 0 0 Tyr-13C07 0.2853502021174415 0.2683507037036734 0.2630585615781082 0.46279172898933296 0.15042822144351264 0 0 0.32484791570569344 0.22411348335632428 0.17428526704056516 0.1722209152797952 0.09420054916639474 Tyr-13C08 0.26303206360357473 0.23181454120432612 0.2235276077663229 0.4072127716714044 0.15042822144351264 0 0 0.32404585840864003 0.22411348335632428 0.14301217073774353 0.16836188952018144 0.09420054916639474 Tyr-13C09 0 0.009731209742456714 0.016600765801041105 0.029449747435899606 0 0 0 0 0 0.0002227435893941809 0 0 Tyr-ALL 0 0 0 0 0 0 0 0 0 0 0 0 Val-13C00 0.05474908146095021 0.1223029055546077 0.042350442192801825 0.10805055777330477 0.09310641599856827 0.135670320478397 0 0.1220052469402566 0.13184455894427557 0.08713856746527535 0.08362820179286759 0 Val-13C01 0 0 0 0 0 0 0 0 0 0 0 0 Val-13C02 0 0 0 0 0 0 0 0 0 0 0 0 Val-13C03 0 0 0 0 0 0 0 0 0 0 0 0 Val-13C04 0 0 0 0 0 0 0 0 0 0 0 0 Val-13C05 0 0 0 0 0 0 0 0 0 0 0 0 Val-ALL 0.05474908146095021 0.1223029055546077 0.042350442192801825 0.10805055777330477 0.09310641599856827 0.135670320478397 0 0.1220052469402566 0.13184455894427557 0.08713856746527535 0.08362820179286759 0 a-glycerol-3P_#1-13C00 0 0 0 0 0 0 0 0 0 0 0 0 a-glycerol-3P_#1-13C01 0 0 0 0 0 0 0 0 0 0 0.17740728967019043 0 a-glycerol-3P_#1-13C02 0 0 0 0 0 0 0 0 0 0 0 0 a-glycerol-3P_#1-13C03 0 0 0 0 0 0 0 0 0 0 0 0 a-glycerol-3P_#1-ALL 0 0 0 0 0 0 0 0 0 0 0.10866634940492298 0 a-glycerol-3P_#2-13C00 0 0 0 0 0 0 0 0 0 0 0 0 a-glycerol-3P_#2-13C01 0 1.1178962597658564 0 0 0 0 0 0 0 0 0 0 a-glycerol-3P_#2-13C02 0 1.1178962597658564 0 0 0 0 0 0 0 0 0 0 a-glycerol-3P_#2-13C03 0 0 0 0 0 0 0 0 0 0 0 0 a-glycerol-3P_#2-ALL 0 0 0 0 0 0 0 0 0 0 0 0 a-ketoglutarate-13C00 0 0 0 0 0 0 0 0 0 0 0 0 a-ketoglutarate-13C01 0 0 0 0 0 0 0 0 0 0 0 0 a-ketoglutarate-13C02 0 0 0 0 0 0 0 0 0 0 0 0 a-ketoglutarate-13C03 0 0 0 0 0 0 0 0 0 0 0 0 a-ketoglutarate-13C04 0.058138480696712305 0.047677138441408244 0 0 0 0.2835484277575816 0.2017849962650209 0.060546168963985805 0 0 0 0 a-ketoglutarate-13C05 0.058138480696712305 0.047677138441408244 0 0 0 0.23550271063260209 0.2017849962650209 0.060546168963985805 0 0 0 0 a-ketoglutarate-ALL 0.022318138513866832 0.026804952756890602 0.022930188010744236 0.026129209882029006 0 0 0 0.0008020572970534151 0 0.031050352713427452 0.003859025759613703 0 ascorbate-13C00 0 0 0 0 0 0 0 0 0 0 0 0 ascorbate-13C01 0 0 0 0 0 0 0 0 0 0 0 0 ascorbate-13C02 0 0 0 0 0 0 0 0 0 0 0 0 ascorbate-13C03 0 0 0 0 0 0 0 0 0 0 0 0 ascorbate-13C04 0 0 0 0 0 0 0 0 0 0 0 0 ascorbate-13C05 0 0 0 0 0 0 0 0 0 0 0 0 ascorbate-ALL 0 0 0 0 0 0 0 0 0 0 0 0 bOHbutyrate-13C00 0 0 0 0 0 0 0.7328605214012717 0 0 0 0 0 bOHbutyrate-13C01 0 0 0 0 0 0 0 0 0 0 0 0 bOHbutyrate-13C02 0 0 0 0 0 0 0 0 0 0 0 0 bOHbutyrate-13C03 0 0 0 0 0 0 0 0 0 0 0 0 bOHbutyrate-13C04 0 0 0 0 0 0 0 0 0 0 0 0 bOHbutyrate-ALL 0 0 0 0 0 0 0.7328605214012717 0 0 0 0 0 citrate-13C00 0 0 0 0 0 0 0 0 0 0 0 0 citrate-13C01 0 0 0 0 0 0 0 0 0 0 0 0 citrate-13C02 0 0 0 0 0 0 0 0 0 0 0 0 citrate-13C03 0 0 0 0 0 0 0 0 0 0 0 0 citrate-13C04 0 0 0 0 0 0 0 0 0 0 0 0 citrate-13C05 0 0.7554046631402529 0 0.372457348255658 0 0 0 0 0.4923111066010782 0 0 0 citrate-13C06 0 0.572815993820409 0 0.372457348255658 0 0 0 0 0.34179185925598654 0 0 0 citrate-ALL 0 0 0 0 0 0 0 0 0 0 0 0 fumarate-13C00 0 0 0 0 0 0 0 0 0 0 0 0 fumarate-13C01 0 0 0 0 0 0 0 0 0 0 0 0 fumarate-13C02 0 0 0 0 0 0 0 0 0 0 0 0 fumarate-13C03 0 0 0 0 0 0 0 0 0 0 0 0 fumarate-13C04 0 0 0 0 0 0 0 0 0 0 0 0 fumarate-ALL 0 0 0 0 0 0 0 0 0 0 0 0 lactate-13C00 114.06308198138082 125.46054800120949 84.07498648924849 102.0525709221354 101.34717444936433 129.68550012633838 119.79341621094152 128.05053908655518 91.84018327665905 113.22597403811929 109.28819707641689 67.80606145267365 lactate-13C01 6.462414030722803 7.854145160418782 0 3.4406515263230575 0.22684686694855286 6.068131325393553 3.7055547079328863 12.307152206879444 1.443315395144156 3.909093593969612 4.8891343168654915 0 lactate-13C02 0.38200747867560625 0 0 3.2973117771576987 2.442390983103963 3.9123911906378366 2.789143064605279 0 3.8211870211565686 3.6273546192795134 0 0 lactate-13C03 4.915069827640989 4.381317754608511 0.8404234382232854 2.90671711270893 3.3385639169588712 4.648381881069899 4.6353488692337175 2.2655705452080213 3.8167361231438943 2.264282342988004 2.079760470104855 3.4652297187179335 lactate-ALL 125.82257331842023 137.69601091623676 84.91540992747177 111.69725133832512 107.35497621637573 144.31440452343966 130.92346285271336 142.62326183864266 100.92142181610369 123.02670459435643 116.25709186338723 71.27129117139158 pyroGlu-13C00 0 0 0 0 0 0 0 0 0 0 0 0 pyroGlu-13C01 0.3489996218887612 0.549146971213681 0.35052998955844106 0.6079914972340618 0.3420677404191788 0.8193482501499528 0.27206353879120276 1.7925419539197187 0.5520924281596656 0.29921370464742725 0.2846032771593975 0.3620562074972652 pyroGlu-13C02 0.3254312017528458 0.5146173847383769 0.3189519152222473 0.5944970430138049 0.3254643708602706 0.7764489638446633 0.26453561131931186 1.6974660592877047 0.5210277030511964 0.2684731578209363 0.24545569450060492 0.3402757785500723 pyroGlu-13C03 0.023568420135915414 0 0.02932467805295673 0.002182486385784349 0 0.042899286305289365 0.007527927471890901 0.08512820524619419 0.027201442314721495 0.019964860293994004 0.030308466448471037 0.013897645696927436 pyroGlu-13C04 0 0.03452958647530405 0.0022533962832369985 0.011311967834472627 0.016603369558908215 0 0 0.009025734987485257 0 0.010775686532497067 0.008839116210321568 0.007882783250265361 pyroGlu-13C05 0 0 0 0 0 0 0 0.0009219543983346764 0.0038632827937476553 0 0 0 pyroGlu-13C06 0 0 0 0 0 0 0 0 0 0 0 0 pyroGlu-ALL 0 0 0 0 0 0 0 0 0 0 0 0.14426264123992963 t-aconitate-13C00 0 0.6687292810743501 1.0107388317861747 1.4664995805353698 1.018719880919015 1.8863566849484448 0 1.3873364132106316 1.3002781190043788 0.7190615581486475 0 0 t-aconitate-13C01 0 0.35868255849625397 0.5295320733444304 0.7957626694719309 0.4871263313525414 0.6476510362495247 0 0.6289353760729768 0.4333204208542295 0.5744582474591086 0 0 t-aconitate-13C02 0 0 0.17732684155851725 0.1873776594404588 0.5315935495664736 0.8260608632741099 0 0.5221180649223036 0.3239580444305301 0.14460331068953874 0 0 t-aconitate-13C03 0 0.31004672257809623 0 0.1505125958739014 0 0.4126447854248104 0 0.2362829722153512 0.2522312321502121 0 0 0 t-aconitate-13C04 0 0 0.3038799168832271 0.3328466557490785 0 0 0 0 0 0 0 0 t-aconitate-13C05 0 0 0 0 0 0 0 0 0 0 0 0 t-aconitate-13C06 0 0 0 0 0 0 0 0 0.29076842156940713 0 0 0 t-aconitate-ALL 0 0 0.021218192697698972 0.022510017348558245 0 3.451233605407505e-05 0.028902976561246515 0 0 0 0.020748897517982694 0 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name compound isotopologue isotopologue%type ASn-13C05 ASn 13C05 13C Ala-13C00 Ala 13C00 13C Ala-13C01 Ala 13C01 13C Ala-13C02 Ala 13C02 13C Ala-13C03 Ala 13C03 13C Ala-13C04 Ala 13C04 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-13C06 Asn 13C06 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-13C05 Asp 13C05 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-13C05 GAB 13C05 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-13C06 Gln 13C06 13C Gln-13C07 Gln 13C07 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-13C06 Glu 13C06 13C Glu-ALL Glu ALL 13C Gly-13C00 Gly 13C00 13C Gly-13C01 Gly 13C01 13C Gly-13C02 Gly 13C02 13C Gly-13C03 Gly 13C03 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 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 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-13C06 Pro 13C06 13C Pro-ALL Pro ALL 13C SeMet-ALL SeMet ALL 13C Ser-13C00 Ser 13C00 13C Ser-13C01 Ser 13C01 13C Ser-13C02 Ser 13C02 13C Ser-13C03 Ser 13C03 13C Ser-13C04 Ser 13C04 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 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-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-13C06 pyroGlu 13C06 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