#METABOLOMICS WORKBENCH huntermoseley_20180912_184118 DATATRACK_ID:1506 STUDY_ID:ST001050 ANALYSIS_ID:AN001865 VERSION 1 CREATED_ON 02-08-2024 #PROJECT PR:PROJECT_TITLE P4HA1 knockdown in the breast cell line MDA231 PR:PROJECT_SUMMARY Determine the effect of knocking down P4HA1 in the MDA231 cell line (including PR:PROJECT_SUMMARY alterations to metabolic pathways). PR:INSTITUTE University of Kentucky PR:DEPARTMENT Markey Cancer Center PR:LAST_NAME Xu PR:FIRST_NAME Ren PR:ADDRESS BBSRC361, 741 South Limestone, Lexington, KY 40536, USA PR:EMAIL ren.xu2010@uky.edu PR:PHONE 000-000-0000 PR:DOI http://dx.doi.org/10.21228/M8T10P #STUDY ST:STUDY_TITLE P4HA1 knockdown in the breast cell line MDA231 Gln metabolism (part II) ST:STUDY_TYPE isotope tracer ST:STUDY_SUMMARY Determine the effect on glutamine metabolism of knocking down P4HA1 in the ST:STUDY_SUMMARY MDA231 cell line. ST:INSTITUTE University of Kentucky ST:DEPARTMENT Markey Cancer Center ST:LAST_NAME Xiong ST:FIRST_NAME Gaofeng ST:ADDRESS BBSRC361, 741 South Limestone, Lexington, KY 40536, USA ST:EMAIL gaofeng.xiong@uky.edu ST:PHONE 000-000-0000 ST:SUBMIT_DATE 2018-09-12 #SUBJECT SU:SUBJECT_TYPE Animal SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - 1_MDA231_12C14NGln_shCTL_rep1-cells-polar_GCMS_A protocol.id:12C14NGln_shCTL lineage_1=1_MDA231_12C14NGln_shCTL_rep1; cell_type=MDA231; plate_with_media_weight=19.66; plate_with_media_weight%units=g; protocol.id=12C14NGln_shCTL; replicate=1; species=Homo sapiens; species_type=Animal; taxonomy_id=9606; lineage_2=1_MDA231_12C14NGln_shCTL_rep1-cells; cell_type=MDA231; protocol.id=cell_quench_collection; lineage_3=1_MDA231_12C14NGln_shCTL_rep1-cells-polar_GCMS_A; protocol.id=['polar_extraction', 'GCMS_file_storage1']; replicate=1; replicate%type=analytical; sample_split_ratio=0.11609437047418822; type=polar; weight=0.19879999999999987; weight%units=g; lineage_4=1_MDA231_12C14NGln_shCTL_rep1-cells-protein; dry_weight=0.0008000000000000229; dry_weight%units=g; protein_weight=0.588; protein_weight%units=mg; protocol.id=protein_extraction; type=protein SUBJECT_SAMPLE_FACTORS - 5_MDA231_12C14NGln_shP4HA1_rep1-cells-polar_GCMS_A protocol.id:12C14NGln_shP4HA1 lineage_1=5_MDA231_12C14NGln_shP4HA1_rep1; cell_type=MDA231; plate_with_media_weight=19.25; plate_with_media_weight%units=g; protocol.id=12C14NGln_shP4HA1; replicate=1; species=Homo sapiens; species_type=Animal; taxonomy_id=9606; lineage_2=5_MDA231_12C14NGln_shP4HA1_rep1-cells; cell_type=MDA231; protocol.id=cell_quench_collection; lineage_3=5_MDA231_12C14NGln_shP4HA1_rep1-cells-polar_GCMS_A; protocol.id=['polar_extraction', 'GCMS_file_storage5']; replicate=1; replicate%type=analytical; sample_split_ratio=0.11302462816884443; type=polar; weight=0.18769999999999998; weight%units=g; lineage_4=5_MDA231_12C14NGln_shP4HA1_rep1-cells-protein; dry_weight=0.0008000000000000229; dry_weight%units=g; protein_weight=0.6232000000000001; protein_weight%units=mg; protocol.id=protein_extraction; type=protein SUBJECT_SAMPLE_FACTORS - 2_MDA231_13C15NGln_shCTL_rep1-cells-polar_GCMS_A protocol.id:13C15NGln_shCTL lineage_1=2_MDA231_13C15NGln_shCTL_rep1; cell_type=MDA231; plate_with_media_weight=19.66; plate_with_media_weight%units=g; protocol.id=13C15NGln_shCTL; replicate=1; species=Homo sapiens; species_type=Animal; taxonomy_id=9606; lineage_2=2_MDA231_13C15NGln_shCTL_rep1-cells; cell_type=MDA231; protocol.id=cell_quench_collection; lineage_3=2_MDA231_13C15NGln_shCTL_rep1-cells-polar_GCMS_A; protocol.id=['polar_extraction', 'GCMS_file_storage2']; replicate=1; replicate%type=analytical; sample_split_ratio=0.1135852185242211; type=polar; weight=0.19179999999999975; weight%units=g; lineage_4=2_MDA231_13C15NGln_shCTL_rep1-cells-protein; dry_weight=0.0008000000000000229; dry_weight%units=g; protein_weight=0.5884; protein_weight%units=mg; protocol.id=protein_extraction; type=protein SUBJECT_SAMPLE_FACTORS - 3_MDA231_13C15NGln_shCTL_rep2-cells-polar_GCMS_A protocol.id:13C15NGln_shCTL lineage_1=3_MDA231_13C15NGln_shCTL_rep2; cell_type=MDA231; plate_with_media_weight=19.65; plate_with_media_weight%units=g; protocol.id=13C15NGln_shCTL; replicate=2; species=Homo sapiens; species_type=Animal; taxonomy_id=9606; lineage_2=3_MDA231_13C15NGln_shCTL_rep2-cells; cell_type=MDA231; protocol.id=cell_quench_collection; lineage_3=3_MDA231_13C15NGln_shCTL_rep2-cells-polar_GCMS_A; protocol.id=['polar_extraction', 'GCMS_file_storage3']; replicate=1; replicate%type=analytical; sample_split_ratio=0.1135516196690749; type=polar; weight=0.19490000000000007; weight%units=g; lineage_4=3_MDA231_13C15NGln_shCTL_rep2-cells-protein; dry_weight=0.0006999999999999229; dry_weight%units=g; protein_weight=0.5808; protein_weight%units=mg; protocol.id=protein_extraction; type=protein SUBJECT_SAMPLE_FACTORS - 4_MDA231_13C15NGln_shCTL_rep3-cells-polar_GCMS_A protocol.id:13C15NGln_shCTL lineage_1=4_MDA231_13C15NGln_shCTL_rep3; cell_type=MDA231; plate_with_media_weight=19.17; plate_with_media_weight%units=g; protocol.id=13C15NGln_shCTL; replicate=3; species=Homo sapiens; species_type=Animal; taxonomy_id=9606; lineage_2=4_MDA231_13C15NGln_shCTL_rep3-cells; cell_type=MDA231; protocol.id=cell_quench_collection; lineage_3=4_MDA231_13C15NGln_shCTL_rep3-cells-polar_GCMS_A; protocol.id=['polar_extraction', 'GCMS_file_storage4']; replicate=1; replicate%type=analytical; sample_split_ratio=0.11416716064018967; type=polar; weight=0.1926000000000001; weight%units=g; lineage_4=4_MDA231_13C15NGln_shCTL_rep3-cells-protein; dry_weight=0.0007000000000000339; dry_weight%units=g; protein_weight=0.5344000000000001; protein_weight%units=mg; protocol.id=protein_extraction; type=protein SUBJECT_SAMPLE_FACTORS - 6_MDA231_13C15NGln_shP4HA1_rep1-cells-polar_GCMS_A protocol.id:13C15NGln_shP4HA1 lineage_1=6_MDA231_13C15NGln_shP4HA1_rep1; cell_type=MDA231; plate_with_media_weight=19.13; plate_with_media_weight%units=g; protocol.id=13C15NGln_shP4HA1; replicate=1; species=Homo sapiens; species_type=Animal; taxonomy_id=9606; lineage_2=6_MDA231_13C15NGln_shP4HA1_rep1-cells; cell_type=MDA231; protocol.id=cell_quench_collection; lineage_3=6_MDA231_13C15NGln_shP4HA1_rep1-cells-polar_GCMS_A; protocol.id=['polar_extraction', 'GCMS_file_storage6']; replicate=1; replicate%type=analytical; sample_split_ratio=0.11430485354119722; type=polar; weight=0.18769999999999998; weight%units=g; lineage_4=6_MDA231_13C15NGln_shP4HA1_rep1-cells-protein; dry_weight=0.0009000000000000119; dry_weight%units=g; protein_weight=0.5952000000000001; protein_weight%units=mg; protocol.id=protein_extraction; type=protein SUBJECT_SAMPLE_FACTORS - 7_MDA231_13C15NGln_shP4HA1_rep2-cells-polar_GCMS_A protocol.id:13C15NGln_shP4HA1 lineage_1=7_MDA231_13C15NGln_shP4HA1_rep2; cell_type=MDA231; plate_with_media_weight=19.66; plate_with_media_weight%units=g; protocol.id=13C15NGln_shP4HA1; replicate=2; species=Homo sapiens; species_type=Animal; taxonomy_id=9606; lineage_2=7_MDA231_13C15NGln_shP4HA1_rep2-cells; cell_type=MDA231; protocol.id=cell_quench_collection; lineage_3=7_MDA231_13C15NGln_shP4HA1_rep2-cells-polar_GCMS_A; protocol.id=['polar_extraction', 'GCMS_file_storage7']; replicate=1; replicate%type=analytical; sample_split_ratio=0.11465347714677317; type=polar; weight=0.19240000000000013; weight%units=g; lineage_4=7_MDA231_13C15NGln_shP4HA1_rep2-cells-protein; dry_weight=0.0010999999999999899; dry_weight%units=g; protein_weight=0.5852; protein_weight%units=mg; protocol.id=protein_extraction; type=protein SUBJECT_SAMPLE_FACTORS - 8_MDA231_13C15NGln_shP4HA1_rep3-cells-polar_GCMS_A protocol.id:13C15NGln_shP4HA1 lineage_1=8_MDA231_13C15NGln_shP4HA1_rep3; cell_type=MDA231; plate_with_media_weight=19.3; plate_with_media_weight%units=g; protocol.id=13C15NGln_shP4HA1; replicate=3; species=Homo sapiens; species_type=Animal; taxonomy_id=9606; lineage_2=8_MDA231_13C15NGln_shP4HA1_rep3-cells; cell_type=MDA231; protocol.id=cell_quench_collection; lineage_3=8_MDA231_13C15NGln_shP4HA1_rep3-cells-polar_GCMS_A; protocol.id=['polar_extraction', 'GCMS_file_storage8']; replicate=1; replicate%type=analytical; sample_split_ratio=0.11736305656553601; type=polar; weight=0.19689999999999985; weight%units=g; lineage_4=8_MDA231_13C15NGln_shP4HA1_rep3-cells-protein; dry_weight=0.0008999999999999009; dry_weight%units=g; protein_weight=0.6532; protein_weight%units=mg; protocol.id=protein_extraction; type=protein #COLLECTION CO:COLLECTION_SUMMARY Collection and quench of cells in culture CO:COLLECTION_PROTOCOL_ID cell_quench_collection CO:COLLECTION_PROTOCOL_FILENAME 3A_Cells_Quench_Cell_Fan_20170412.pdf CO:SAMPLE_TYPE cultured cells #TREATMENT TR:TREATMENT_SUMMARY Cells grown in unlabeled glutamine and infected with empty vector. Cells grown TR:TREATMENT_SUMMARY in unlabeled glutamine and infected with shP4HA1 lentivirus. Cells grown in TR:TREATMENT_SUMMARY labeled glutamine and infected with empty vector. Cells grown in labeled TR:TREATMENT_SUMMARY glutamine and infected with shP4HA1 lentivirus. TR:TREATMENT_PROTOCOL_ID 12C14NGln_shCTL 12C14NGln_shP4HA1 13C15NGln_shCTL 13C15NGln_shP4HA1 #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Polar extraction from cells. Protein extraction and quantification. SP:SAMPLEPREP_PROTOCOL_ID polar_extraction protein_extraction SP:SAMPLEPREP_PROTOCOL_FILENAME 4B_Extract_Polar_Lipid_Prot_Fan_070417.pdf;4D_17Jun4_Fan_Prot_Quant.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Targeted 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 CH:COLUMN_NAME BPX-5 (5% phenylmethyl- phenylsiloxane) CH:CHROMATOGRAPHY_TYPE GC #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo ITQ MS:INSTRUMENT_TYPE GC-ITQ MS:MS_TYPE EI 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:ION_MODE POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak area normalized MS_METABOLITE_DATA_START Samples 1_MDA231_12C14NGln_shCTL_rep1-cells-polar_GCMS_A 5_MDA231_12C14NGln_shP4HA1_rep1-cells-polar_GCMS_A 2_MDA231_13C15NGln_shCTL_rep1-cells-polar_GCMS_A 3_MDA231_13C15NGln_shCTL_rep2-cells-polar_GCMS_A 4_MDA231_13C15NGln_shCTL_rep3-cells-polar_GCMS_A 6_MDA231_13C15NGln_shP4HA1_rep1-cells-polar_GCMS_A 7_MDA231_13C15NGln_shP4HA1_rep2-cells-polar_GCMS_A 8_MDA231_13C15NGln_shP4HA1_rep3-cells-polar_GCMS_A Factors protocol.id:12C14NGln_shCTL protocol.id:12C14NGln_shP4HA1 protocol.id:13C15NGln_shCTL protocol.id:13C15NGln_shCTL protocol.id:13C15NGln_shCTL protocol.id:13C15NGln_shP4HA1 protocol.id:13C15NGln_shP4HA1 protocol.id:13C15NGln_shP4HA1 a-glycerol-3P_#1-13C0_15N0 2.2310 4.3511 5.2225 70.5788 3.0110 10.3189 2.3633 6.1527 a-glycerol-3P_#1-13C1_15N0 1.1106 2.8842 0.6669 4.6578 a-glycerol-3P_#1-13C2_15N0 3.3711 0.5767 0.8528 a-glycerol-3P_#1-13C3_15N0 0.2297 1.6848 0.3528 a-glycerol-3P_#1-ALL 6.7128 4.3511 8.1066 70.5788 4.4844 12.0038 7.0210 7.3582 a-glycerol-3P_#2-13C0_15N0 0.4955 0.1847 0.1902 0.0752 0.5198 17.7667 0.0652 a-glycerol-3P_#2-13C1_15N0 0.0251 0.0504 0.0957 a-glycerol-3P_#2-13C2_15N0 0.1175 0.0260 0.1200 a-glycerol-3P_#2-13C3_15N0 0.0173 0.1887 0.0477 a-glycerol-3P_#2-ALL 0.4955 0.3195 0.2413 0.2457 0.5198 17.9554 0.2086 a-ketoglutarate-13C0_15N0 334.0367 410.8593 9.3088 7.0668 10.3663 7.4789 7.3181 14.3663 a-ketoglutarate-13C1_15N0 36.2108 14.8768 2.1161 7.2251 6.1676 3.7598 0.4605 4.7447 a-ketoglutarate-13C2_15N0 13.8528 4.3734 7.1246 5.0665 3.2946 4.6275 6.3466 8.2794 a-ketoglutarate-13C3_15N0 6.9843 5.5010 2.7549 2.1536 2.6772 a-ketoglutarate-13C4_15N0 2.4161 2.4939 5.6911 7.9065 9.0540 3.4976 1.1296 2.7612 a-ketoglutarate-13C5_15N0 1.0469 6.0141 4.0380 8.3619 5.3981 10.8262 8.9618 a-ketoglutarate-ALL 393.5008 439.1513 30.2546 31.3030 37.2444 27.5169 28.2346 41.7905 Ala-13C0_15N0 6.8927 6.8716 3.6080 3.1357 3.8008 3.4988 3.3207 3.3684 Ala-13C1_15N0 0.3510 0.3310 1.6014 1.2576 1.6188 1.4155 1.2485 1.4012 Ala-13C2_15N0 0.1492 0.0405 0.1702 0.1916 0.1438 0.0334 Ala-13C3_15N0 0.0374 0.0504 0.0711 0.1350 0.1287 0.0520 Ala-13C4_15N0 0.0428 0.0108 0.0177 0.0343 0.0348 0.0103 Ala-ALL 7.2437 7.3518 5.2874 4.6139 5.6822 5.1931 4.7312 4.8216 aOHglutarate-13C0_15N0 1.6584 1.7583 1.4304 2.0552 2.2588 1.4194 1.5909 1.8064 aOHglutarate-13C1_15N0 0.3620 0.2486 0.0538 0.1314 0.1855 0.2655 0.0861 aOHglutarate-13C2_15N0 0.0431 0.0980 0.1086 0.1117 aOHglutarate-13C3_15N0 0.0054 0.0674 0.1675 0.1801 0.0976 0.1378 0.1428 aOHglutarate-13C4_15N0 0.1171 0.0622 0.0543 0.0205 0.0108 aOHglutarate-13C5_15N0 0.0666 0.3170 0.2294 0.2530 0.2778 0.3400 0.3805 aOHglutarate-ALL 1.7304 2.2806 2.2236 2.6146 2.9892 2.0009 2.3451 2.4158 Arg-13C0_15N0 2.8291 3.3817 2.7288 2.4360 2.8208 2.4930 2.4975 2.6647 Arg-13C1_15N0 0.1380 0.1190 0.1527 0.2895 0.2117 0.0339 Arg-13C2_15N0 0.2494 0.3630 0.0582 0.1308 Arg-13C3_15N0 0.0045 0.0675 0.0132 0.1434 0.0662 Arg-13C4_15N0 0.0975 0.0027 0.0809 0.0024 0.0896 0.0648 Arg-13C5_15N0 0.0941 0.0707 0.0419 0.0709 0.0817 0.0424 0.0099 0.1058 Arg-13C6_15N0 0.0550 0.0602 0.0801 0.0572 Arg-ALL 3.2702 3.8775 3.0498 2.6259 3.2053 2.9849 2.9856 3.0014 ascorbate-13C0_15N0 ascorbate-13C1_15N0 ascorbate-13C2_15N0 ascorbate-13C3_15N0 ascorbate-13C4_15N0 ascorbate-13C5_15N0 ascorbate-13C6_15N0 ascorbate-ALL Asn-13C0_15N0 0.4014 0.4635 0.0405 0.0393 0.0356 0.0864 0.1219 0.0310 Asn-13C1_15N0 0.0911 0.0575 0.1096 0.0202 0.1241 0.0790 0.0506 Asn-13C2_15N0 0.0429 0.0189 0.0103 0.0142 0.0199 Asn-13C3_15N0 0.0222 0.0730 0.0906 0.0139 0.0088 Asn-13C4_15N0 0.0099 0.0589 0.0029 0.0231 0.0473 0.0279 0.0292 ASn-13C5_15N0 0.0131 0.0169 0.0211 0.0416 0.0532 0.0347 Asn-13C6_15N0 0.0334 0.0307 0.0116 0.0700 0.0692 0.0089 0.0348 Asn-ALL 0.5245 0.6229 0.2421 0.1634 0.2109 0.2127 0.1697 0.1195 Asp-13C0_15N0 25.4157 24.4281 7.2712 5.7935 7.0560 7.1614 5.6668 5.3628 Asp-13C1_15N0 0.2247 1.3617 5.4151 4.2647 5.4349 5.4443 4.4628 4.7521 Asp-13C2_15N0 0.1410 0.0852 2.4339 1.7711 2.3103 2.3512 1.6397 2.4477 Asp-13C3_15N0 0.3550 0.0506 1.5295 1.3333 1.4142 1.4558 1.4293 0.7948 Asp-13C4_15N0 4.2717 3.1819 4.1994 4.1369 3.0325 3.8009 Asp-13C5_15N0 0.0030 3.2141 2.4062 2.0647 2.8074 2.1189 2.1651 Asp-ALL 26.1365 25.9256 20.9214 16.3446 20.4147 20.5497 16.2310 17.1582 bOHbutyrate-13C0_15N0 2.5056 2.6410 2.7062 2.2127 1.9395 2.2646 1.6278 1.3332 bOHbutyrate-13C1_15N0 0.5237 0.1808 0.0786 0.2848 0.0870 0.0798 0.0609 bOHbutyrate-13C2_15N0 0.0214 0.3091 0.1282 0.1024 0.2758 0.1615 bOHbutyrate-13C3_15N0 0.1143 0.0575 0.0374 bOHbutyrate-13C4_15N0 0.0885 0.1395 0.1657 0.0603 0.2084 0.1672 0.1573 0.0897 bOHbutyrate-ALL 3.1392 3.0756 3.1810 2.5373 2.4327 2.6211 2.1781 1.6453 citrate-13C0_15N0 1.6600 1.5661 0.5371 0.1575 0.2560 0.4556 0.1440 0.2118 citrate-13C1_15N0 0.1134 0.1222 0.1062 0.0270 0.0363 0.0464 0.0196 0.0246 citrate-13C2_15N0 0.0242 0.0141 0.1060 0.0263 0.0689 0.1161 0.0348 0.0534 citrate-13C3_15N0 0.0021 0.0175 0.0247 0.0094 0.0105 0.0236 0.0033 0.0097 citrate-13C4_15N0 0.0113 0.2534 0.0871 0.1266 0.2231 0.0743 0.0838 citrate-13C5_15N0 0.0002 0.0005 0.0045 0.0143 citrate-13C6_15N0 0.0011 0.0042 0.0046 0.0007 0.0039 citrate-ALL 1.8110 1.7210 1.0275 0.3119 0.5074 0.8655 0.2799 0.3976 Cys-13C0_15N0 0.2312 0.6361 0.4124 0.4968 0.3637 0.1813 Cys-13C1_15N0 0.2064 0.4735 0.2392 0.8174 1.1816 0.4048 Cys-13C2_15N0 0.2097 0.1789 0.4231 Cys-13C3_15N0 0.2875 0.8372 0.2375 0.6805 1.4493 0.3737 Cys-ALL 0.9347 1.9468 1.0681 1.9947 2.9946 1.3828 fumarate-13C0_15N0 9.3889 9.6231 5.0389 3.6101 4.2190 4.9057 3.4148 3.8679 fumarate-13C1_15N0 0.4413 0.7519 0.7467 0.5011 0.6424 0.6197 0.4755 0.6670 fumarate-13C2_15N0 0.1991 0.0824 0.9772 0.6337 0.9784 0.9206 0.6926 0.7287 fumarate-13C3_15N0 0.0266 0.0687 0.1869 0.1775 0.1760 0.1959 0.1715 0.1819 fumarate-13C4_15N0 0.0327 0.0308 2.3160 1.5686 2.2523 2.4394 1.5851 1.7740 fumarate-ALL 10.0886 10.5569 9.2656 6.4910 8.2682 9.0812 6.3394 7.2195 GAB-13C0_15N0 0.7475 0.1856 0.4135 0.6796 0.4054 0.6334 0.4312 GAB-13C1_15N0 0.0795 0.1310 0.0578 0.0635 GAB-13C2_15N0 0.2662 0.0718 0.0605 0.0149 0.0708 0.5121 0.0410 GAB-13C3_15N0 0.1221 0.0459 0.0610 0.2051 0.0196 GAB-13C4_15N0 1.3327 0.0300 1.5062 2.6886 2.1361 3.0783 2.4030 GAB-13C5_15N0 0.2748 0.1427 0.0184 0.3596 0.0667 0.1609 GAB-ALL 2.3464 0.4891 2.1111 3.4867 2.6734 4.4289 2.9581 Gln-13C0_15N0 48.5140 77.2294 1.4563 1.3101 1.7341 2.2937 1.2803 1.8891 Gln-13C1_15N0 4.1751 3.3017 0.8890 0.6689 0.5870 0.2746 0.7592 0.6702 Gln-13C2_15N0 0.4804 1.0671 0.6280 0.4666 0.7391 0.8887 0.8322 0.6984 Gln-13C3_15N0 0.2341 0.1371 0.1143 0.4942 0.0955 0.1755 0.2175 Gln-13C4_15N0 0.1386 0.1366 0.1061 0.0615 0.0068 0.2058 0.0621 0.2828 Gln-13C5_15N0 0.4576 0.4833 0.4750 0.8827 0.3356 0.4412 Gln-13C6_15N0 2.7741 1.9584 2.7976 2.9959 2.4854 2.5491 Gln-13C7_15N0 0.0646 74.3139 61.4163 70.4101 93.2868 80.8927 80.1922 Gln-ALL 53.3081 81.9688 3.6741 3.1048 4.0363 4.6411 3.4448 4.1993 Glu-13C0_15N0 26.0112 26.6096 5.5266 4.8469 5.6223 4.7238 4.4239 4.6808 Glu-13C1_15N0 1.4884 1.7945 4.0076 3.0181 3.7098 3.8962 3.2097 3.3988 Glu-13C2_15N0 0.1455 0.0457 1.2773 1.3851 1.2009 1.3138 1.2190 1.3010 Glu-13C3_15N0 0.2515 0.0558 2.5915 2.2769 2.3172 2.5228 1.9926 2.4137 Glu-13C4_15N0 1.9171 1.2279 1.7135 1.2857 1.4323 1.2331 Glu-13C5_15N0 0.0590 6.4522 5.4325 5.9794 5.8950 5.4668 5.6662 Glu-13C6_15N0 0.0079 3.9962 3.6486 4.4821 4.0724 3.0329 3.3038 Glu-ALL 27.9556 28.5056 21.7723 18.1875 20.5431 19.6373 17.7443 18.6937 Gly-13C0_15N0 26.7731 28.4072 16.3551 13.2398 16.6887 14.4681 12.9530 13.5606 Gly-13C1_15N0 1.3380 1.4314 0.1833 0.2763 0.0118 0.3102 0.4380 0.3447 Gly-13C2_15N0 0.5925 0.0162 0.2921 0.0296 0.0960 0.0803 Gly-13C3_15N0 0.1775 0.0196 0.0227 0.2063 0.1096 Gly-ALL 28.7036 29.8386 16.5546 13.8082 16.7300 14.8744 13.3910 13.9856 His-13C0_15N0 0.3858 0.2940 0.7012 0.2008 0.0505 0.5113 0.1094 7.5439 His-13C1_15N0 0.0514 0.0698 0.0566 0.3332 0.2450 0.2918 His-13C2_15N0 0.0309 0.2296 0.0130 0.0008 0.3566 His-13C3_15N0 0.1728 0.0639 0.1982 0.0698 0.0570 0.2007 His-13C4_15N0 0.0003 0.0460 0.1181 0.0272 0.0026 0.0556 His-13C5_15N0 0.1352 0.0560 0.1698 0.0510 0.0693 0.2699 His-13C6_15N0 0.1330 0.0609 0.0516 0.0761 0.1027 0.1087 His-ALL 0.8577 0.7001 1.0668 0.4025 0.8441 1.0002 0.6746 8.2260 Ile-13C0_15N0 22.7469 59.5007 62.7123 63.5552 68.7001 61.5803 62.4700 54.6380 Ile-13C1_15N0 2.9170 5.5355 4.6049 1.5379 4.8747 3.4648 4.4566 4.2096 Ile-13C2_15N0 0.4680 2.0808 0.5510 0.3485 0.9540 0.5359 Ile-13C3_15N0 0.0744 0.0553 Ile-13C4_15N0 0.0563 0.4201 Ile-13C5_15N0 0.0037 0.0119 0.0278 0.0131 Ile-13C6_15N0 0.0078 0.0212 0.0125 0.0158 Ile-ALL 26.1959 65.4563 69.4018 65.7516 73.5748 65.4767 67.8930 59.4124 Isocitrate-13C0_15N0 Isocitrate-13C1_15N0 Isocitrate-13C2_15N0 Isocitrate-13C3_15N0 Isocitrate-13C4_15N0 Isocitrate-13C5_15N0 Isocitrate-13C6_15N0 Isocitrate-ALL Itaconate-13C0_15N0 0.1044 0.1331 0.1712 0.0892 0.1052 0.1685 0.1062 0.1200 Itaconate-13C1_15N0 0.0279 0.0142 0.0400 0.3675 0.0476 0.0405 0.0327 0.0122 Itaconate-13C2_15N0 0.1596 0.0184 0.1279 0.0041 0.1199 0.0288 0.0274 Itaconate-13C3_15N0 0.0313 0.0326 0.0048 0.0289 0.0300 0.0442 0.0338 Itaconate-13C4_15N0 0.0088 0.0584 0.0564 0.1284 0.0052 0.0184 0.1263 Itaconate-ALL 0.3321 0.2567 0.3955 0.5899 0.1858 0.3641 0.2304 0.3197 Kynurenic_acid-13C0_15N0 0.1662 0.1483 0.0258 0.0566 0.0869 0.0396 Kynurenic_acid-13C10_15N0 0.0106 0.0041 0.0636 0.0194 Kynurenic_acid-13C1_15N0 0.0073 0.0100 0.0153 0.0275 Kynurenic_acid-13C2_15N0 0.0144 0.0165 0.0213 Kynurenic_acid-13C3_15N0 0.0217 0.0216 0.0323 0.0209 0.0198 0.0217 Kynurenic_acid-13C4_15N0 0.0141 0.0191 Kynurenic_acid-13C5_15N0 0.0683 0.0188 Kynurenic_acid-13C6_15N0 0.0876 0.0846 0.0646 0.0624 0.0731 0.0757 Kynurenic_acid-13C7_15N0 0.1132 0.1552 0.1316 0.0528 0.1095 0.0604 Kynurenic_acid-13C8_15N0 0.0353 0.0738 0.0257 0.1558 0.0264 0.0172 Kynurenic_acid-13C9_15N0 0.0564 0.0691 0.0802 0.1193 0.1633 0.0625 Kynurenic_acid-ALL 0.5631 0.5705 0.3643 0.5272 0.5579 0.3645 Kynurenine-13C0_15N0 Kynurenine-13C1_15N0 Kynurenine-13C2_15N0 Kynurenine-13C3_15N0 Kynurenine-13C4_15N0 Kynurenine-13C5_15N0 Kynurenine-13C6_15N0 Kynurenine-13C7_15N0 Kynurenine-13C8_15N0 Kynurenine-ALL lactate-13C0_15N0 38.5809 38.8715 29.1707 14.2341 21.0043 30.0523 15.8237 16.6034 lactate-13C1_15N0 2.4795 1.2638 2.0898 0.4760 0.4948 0.8650 0.2948 0.8340 lactate-13C2_15N0 1.1572 0.3523 0.8317 0.3641 1.0281 0.5930 lactate-13C3_15N0 0.0481 0.2886 0.0991 0.1776 0.0849 lactate-ALL 41.1085 41.2925 31.9014 14.8092 22.5085 31.2813 17.1466 18.1153 Leu-13C0_15N0 0.1102 24.8746 0.1846 17.3647 0.1095 0.0981 16.9143 0.1386 Leu-13C1_15N0 6.2316 1.6444 6.8650 8.3070 0.0538 4.0233 6.1734 Leu-13C2_15N0 0.7596 2.1629 Leu-13C3_15N0 0.3474 0.3479 0.3650 Leu-13C4_15N0 0.2009 Leu-13C5_15N0 0.0070 0.0055 0.0258 0.0372 Leu-13C6_15N0 0.0164 0.0020 0.0151 0.0079 Leu-ALL 6.3583 26.7220 7.0566 18.4923 8.4423 2.6705 21.3026 6.3492 Lys-13C0_15N0 0.0581 0.0340 0.0132 0.0156 0.0178 0.0194 0.0130 Lys-13C1_15N0 0.0102 0.0385 0.0086 0.0267 0.0151 0.0194 Lys-13C2_15N0 0.0041 0.0210 0.0113 0.0186 Lys-13C3_15N0 0.0205 0.0315 0.0207 0.0109 Lys-13C4_15N0 0.0112 0.0060 Lys-13C5_15N0 0.0146 0.0133 0.0183 Lys-13C6_15N0 0.0063 0.0359 Lys-ALL 0.1139 0.1427 0.0560 0.0537 0.0652 0.0531 0.0492 Malate-13C0_15N0 3.8363 4.0662 1.3998 0.4243 0.7037 1.0188 0.3370 0.4886 Malate-13C1_15N0 0.1687 0.0829 0.0987 0.0898 0.0572 0.1914 0.0847 0.1120 Malate-13C2_15N0 0.2576 0.0848 0.1192 0.1563 0.1019 0.1157 Malate-13C3_15N0 0.0163 0.0042 0.0680 0.0117 0.0626 0.0736 0.0149 0.0219 Malate-13C4_15N0 0.0123 0.0002 0.7945 0.2550 0.3519 0.6577 0.2354 0.2914 Malate-ALL 4.0337 4.1535 2.6187 0.8657 1.2945 2.0978 0.7740 1.0295 Met-13C0_15N0 0.0053 0.0045 Met-13C1_15N0 0.0111 0.0035 Met-13C2_15N0 0.1794 Met-13C3_15N0 0.0337 Met-13C4_15N0 0.0018 Met-13C5_15N0 0.0177 0.0210 Met-ALL 0.0679 0.2101 N-Ace-Asp-13C0_15N0 49.1689 21.6714 10.9559 39.6703 9.4768 28.2699 N-Ace-Asp-13C1_15N0 11.7366 39.1335 48.0827 15.4022 N-Ace-Asp-13C2_15N0 24.9819 9.2646 18.3109 21.6788 N-Ace-Asp-13C3_15N0 89.6789 77.1865 60.9180 167.1791 52.2529 N-Ace-Asp-13C4_15N0 22.6304 53.1201 43.5623 1.0636 0.6820 N-Ace-Asp-13C5_15N0 25.2882 72.1840 31.8496 73.5210 13.2357 N-Ace-Asp-13C6_15N0 13.7316 18.4633 7.2649 5.2075 52.3788 15.2887 N-Ace-Asp-13C6_15N1 3.0897 73.6148 62.4065 24.3571 N-Ace-Asp-ALL 178.3505 374.8334 313.0043 268.6606 292.7239 158.7738 OHPro-13C0_15N0 0.7103 0.7156 0.5321 0.5934 0.7769 0.5665 0.6822 0.6911 OHPro-13C1_15N0 0.0125 0.0035 0.1343 0.0644 0.0787 0.0901 OHPro-13C2_15N0 0.0296 0.0046 0.0822 0.0681 0.0109 0.0157 OHPro-13C3_15N0 0.0178 0.0270 0.0376 0.0536 0.0013 0.0390 0.0194 OHPro-13C4_15N0 0.0044 0.0130 0.0106 0.0113 0.0088 OHPro-13C5_15N0 0.0075 0.0047 0.0146 0.0024 0.0084 OHPro-ALL 0.7569 0.7490 0.7064 0.7777 0.8352 0.7398 0.7457 0.8335 Orn-13C0_15N0 0.4231 0.1737 0.4023 0.1231 0.0794 0.1252 0.2819 0.1230 Orn-13C1_15N0 0.3501 0.2335 0.4701 0.1432 0.5453 0.3284 0.3521 0.7562 Orn-13C2_15N0 0.0270 0.1327 0.1926 0.0987 0.1040 0.3109 Orn-13C3_15N0 0.3586 0.5322 0.4044 0.2588 0.2002 Orn-13C4_15N0 0.0682 0.3399 0.1066 0.1878 Orn-13C5_15N0 0.0070 0.0903 0.0567 0.0431 Orn-ALL 1.1318 0.4342 1.5442 0.9315 1.1536 0.9796 1.1327 1.1225 Phe-13C0_15N0 0.5289 0.5431 0.0352 0.2834 Phe-13C1_15N0 0.0038 Phe-13C2_15N0 Phe-13C3_15N0 0.0001 0.0032 0.0112 Phe-13C4_15N0 0.7870 0.9102 0.6768 0.6142 Phe-13C5_15N0 0.0556 0.0286 0.1200 0.1417 Phe-13C6_15N0 0.0279 0.0153 0.0340 Phe-13C7_15N0 0.0103 0.0625 0.0435 0.0270 Phe-13C8_15N0 6.3532 6.0521 4.9069 4.1953 Phe-13C9_15N0 Phe-ALL 7.7630 7.6150 5.7974 5.2956 Pro-13C0_15N0 3.8774 4.0050 1.5396 1.3860 1.6024 1.6291 1.3061 1.4094 Pro-13C1_15N0 0.1029 0.5555 0.4242 0.4747 0.5148 0.3987 0.3540 Pro-13C2_15N0 0.0187 0.1501 0.1663 0.2689 0.1606 0.1246 0.1738 0.1217 Pro-13C3_15N0 0.0133 0.0465 0.2870 0.2065 0.2360 0.3205 0.2345 0.3876 Pro-13C4_15N0 0.0011 0.1789 0.3186 0.2618 0.2718 0.1202 0.1133 Pro-13C5_15N0 0.0441 0.0123 0.7434 0.5262 0.7209 0.7582 0.6287 0.4676 Pro-13C6_15N0 0.0054 0.0045 0.6594 0.3267 0.5885 0.4912 0.4346 0.4172 Pro-ALL 4.0575 4.2140 3.4707 3.1304 3.4564 3.6190 2.8620 2.8537 pyroGlu-13C0_15N0 16.0679 22.6042 4.6530 4.1244 4.9123 6.0703 5.0389 4.8782 pyroGlu-13C1_15N0 1.4663 1.6277 3.1266 3.1612 4.2040 3.5063 3.4005 2.7103 pyroGlu-13C2_15N0 0.1369 0.6959 1.3715 0.6795 0.8715 1.2548 0.9298 0.9731 pyroGlu-13C3_15N0 1.7503 1.3970 1.6052 1.8411 2.3787 2.1649 pyroGlu-13C4_15N0 0.1030 0.0540 1.2766 1.0823 1.4578 1.9297 1.7573 1.7239 pyroGlu-13C5_15N0 0.0247 4.7655 4.2914 5.0505 5.8732 4.9211 4.8582 pyroGlu-13C6_15N0 0.0036 0.1440 5.4137 4.6552 5.3077 5.8094 5.9399 5.4232 pyroGlu-ALL 17.8023 25.1258 22.3572 19.3911 23.4091 26.2848 24.3660 22.7318 Ser-13C0_15N0 9.8546 9.4061 6.1493 5.5817 5.9817 5.6205 5.1681 5.0515 Ser-13C1_15N0 0.1978 0.5285 0.2021 0.1469 0.0759 0.3133 0.3235 0.0978 Ser-13C2_15N0 0.0414 0.0401 0.1649 0.0254 0.1676 Ser-13C3_15N0 0.1306 0.0518 0.0310 0.0061 0.0057 Ser-13C4_15N0 0.0162 0.0290 Ser-ALL 10.2245 9.9346 6.4032 5.7997 6.2225 5.9652 5.4916 5.3226 Succinate-13C0_15N0 7.8629 8.2256 5.0208 5.4163 7.7209 4.9800 5.9373 7.0765 Succinate-13C1_15N0 0.2752 0.5286 0.3459 0.2902 0.4656 0.2447 0.1617 0.2448 Succinate-13C2_15N0 0.2984 0.0708 0.2267 0.2024 0.0776 0.1792 0.1552 0.1076 Succinate-13C3_15N0 0.0117 0.0492 0.0516 0.0535 0.0593 0.0432 Succinate-13C4_15N0 0.0187 0.1779 0.1618 0.1729 0.1351 0.1391 0.1039 Succinate-ALL 8.4366 8.8437 5.7831 6.1199 8.4886 5.5925 6.4526 7.5760 t-aconitate-13C0_15N0 0.5670 0.3605 0.1885 0.0447 0.1263 0.1665 0.0704 0.0792 t-aconitate-13C1_15N0 0.0557 0.0597 0.0946 0.0216 0.0178 0.0131 0.0208 0.0319 t-aconitate-13C2_15N0 0.1049 0.0419 0.0317 0.0550 0.0070 0.0648 0.0409 0.0156 t-aconitate-13C3_15N0 0.0218 0.0191 0.0259 0.0051 0.0450 0.0140 0.0035 t-aconitate-13C4_15N0 0.0954 0.0035 0.0652 0.0461 0.0501 0.0635 t-aconitate-13C5_15N0 0.0119 0.0153 0.0271 t-aconitate-13C6_15N0 0.0026 0.0191 0.0057 0.0135 0.0343 0.0081 t-aconitate-ALL 0.7421 0.5030 0.4350 0.1796 0.2556 0.3708 0.1962 0.1937 Thr-13C0_15N0 0.0983 0.0956 79.7449 0.1244 0.0770 Thr-13C1_15N0 0.1030 0.0417 7.1335 0.0281 0.0513 Thr-13C2_15N0 0.4461 0.3519 0.1153 Thr-13C3_15N0 0.0416 0.0500 0.4982 0.0406 Thr-13C4_15N0 0.0064 Thr-ALL 0.6954 0.5392 87.3766 0.1931 0.2435 Trp-13C0_15N0 0.0670 0.0877 0.0588 0.0499 0.0679 0.1170 0.1279 0.0585 Trp-13C10_15N0 0.3258 0.1590 0.1109 0.0387 0.1691 0.5688 0.0517 0.3004 Trp-13C11_15N0 0.0822 0.1000 0.1350 0.1789 0.0172 Trp-13C1_15N0 0.0379 0.0373 0.0279 0.0452 0.0349 0.0227 0.0298 0.0241 Trp-13C2_15N0 0.0603 0.0575 0.0180 0.0280 0.0400 0.0158 Trp-13C3_15N0 0.0458 0.0559 0.0225 0.0214 Trp-13C4_15N0 0.0247 0.0306 0.0170 0.0281 0.0811 0.0564 0.0493 Trp-13C5_15N0 0.0772 0.2203 0.0689 0.1227 0.1305 0.0414 0.1120 0.0916 Trp-13C6_15N0 0.1438 0.1625 0.0781 0.0865 0.0870 0.1275 0.1009 0.1841 Trp-13C7_15N0 0.0605 0.0184 0.0480 0.0725 0.0367 0.0285 0.0559 0.0413 Trp-13C8_15N0 0.1067 0.7930 0.3609 0.0494 0.6282 0.4237 0.4768 Trp-13C9_15N0 0.1237 0.2193 0.4074 0.2407 0.3563 0.3011 0.1259 Trp-ALL 1.1100 1.5782 1.2416 0.8958 0.8623 2.0219 1.4782 1.4063 Tyr-13C0_15N0 0.0614 0.1240 0.0196 0.0595 0.0472 0.0308 0.0404 0.0324 Tyr-13C1_15N0 0.0262 0.0259 0.0195 0.0306 0.0198 0.0333 0.0585 0.0232 Tyr-13C2_15N0 0.0050 0.0171 0.0261 0.0065 0.0124 0.0024 Tyr-13C3_15N0 0.0005 0.0089 0.0358 0.0062 0.0026 0.0063 0.0067 Tyr-13C4_15N0 0.0164 0.0067 0.0074 0.0154 0.0064 0.0058 0.0205 Tyr-13C5_15N0 0.0104 0.0047 0.0256 0.0188 0.0199 0.0205 0.0148 Tyr-13C6_15N0 0.0081 0.0075 0.0058 0.0035 0.0045 Tyr-13C7_15N0 0.0085 0.0067 0.0029 0.0334 0.0142 0.0194 Tyr-13C8_15N0 0.0101 0.0082 0.0092 0.0280 0.0330 Tyr-13C9_15N0 0.0248 0.0368 0.0457 0.0723 0.0354 0.0211 0.0176 0.0091 Tyr-ALL 0.1277 0.2266 0.1674 0.2310 0.1682 0.1854 0.2131 0.1283 Val-13C0_15N0 3.8481 0.0206 0.0138 0.0057 0.0182 0.0123 0.0092 Val-13C1_15N0 0.2857 0.0160 0.0224 0.0119 0.0161 0.0100 0.0103 Val-13C2_15N0 0.1511 0.0055 0.0056 0.0060 0.0038 0.0037 Val-13C3_15N0 0.0363 0.0225 0.0128 0.0177 0.0128 0.0090 Val-13C4_15N0 0.0039 0.0072 0.0029 0.0066 Val-13C5_15N0 0.0083 0.0143 0.0091 0.0023 0.0050 0.0148 Val-ALL 4.2932 0.0927 0.0718 0.0454 0.0629 0.0565 0.0388 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name pubchem_id inchi_key kegg_id other_id other_id_type ri ri_type moverz_quant a-glycerol-3P_#1-13C0_15N0 a-glycerol-3P_#1-13C1_15N0 a-glycerol-3P_#1-13C2_15N0 a-glycerol-3P_#1-13C3_15N0 a-glycerol-3P_#1-ALL a-glycerol-3P_#2-13C0_15N0 a-glycerol-3P_#2-13C1_15N0 a-glycerol-3P_#2-13C2_15N0 a-glycerol-3P_#2-13C3_15N0 a-glycerol-3P_#2-ALL a-ketoglutarate-13C0_15N0 a-ketoglutarate-13C1_15N0 a-ketoglutarate-13C2_15N0 a-ketoglutarate-13C3_15N0 a-ketoglutarate-13C4_15N0 a-ketoglutarate-13C5_15N0 a-ketoglutarate-ALL Ala-13C0_15N0 Ala-13C1_15N0 Ala-13C2_15N0 Ala-13C3_15N0 Ala-13C4_15N0 Ala-ALL aOHglutarate-13C0_15N0 aOHglutarate-13C1_15N0 aOHglutarate-13C2_15N0 aOHglutarate-13C3_15N0 aOHglutarate-13C4_15N0 aOHglutarate-13C5_15N0 aOHglutarate-ALL Arg-13C0_15N0 Arg-13C1_15N0 Arg-13C2_15N0 Arg-13C3_15N0 Arg-13C4_15N0 Arg-13C5_15N0 Arg-13C6_15N0 Arg-ALL ascorbate-13C0_15N0 ascorbate-13C1_15N0 ascorbate-13C2_15N0 ascorbate-13C3_15N0 ascorbate-13C4_15N0 ascorbate-13C5_15N0 ascorbate-13C6_15N0 ascorbate-ALL Asn-13C0_15N0 Asn-13C1_15N0 Asn-13C2_15N0 Asn-13C3_15N0 Asn-13C4_15N0 ASn-13C5_15N0 Asn-13C6_15N0 Asn-ALL Asp-13C0_15N0 Asp-13C1_15N0 Asp-13C2_15N0 Asp-13C3_15N0 Asp-13C4_15N0 Asp-13C5_15N0 Asp-ALL bOHbutyrate-13C0_15N0 bOHbutyrate-13C1_15N0 bOHbutyrate-13C2_15N0 bOHbutyrate-13C3_15N0 bOHbutyrate-13C4_15N0 bOHbutyrate-ALL citrate-13C0_15N0 citrate-13C1_15N0 citrate-13C2_15N0 citrate-13C3_15N0 citrate-13C4_15N0 citrate-13C5_15N0 citrate-13C6_15N0 citrate-ALL Cys-13C0_15N0 Cys-13C1_15N0 Cys-13C2_15N0 Cys-13C3_15N0 Cys-ALL fumarate-13C0_15N0 fumarate-13C1_15N0 fumarate-13C2_15N0 fumarate-13C3_15N0 fumarate-13C4_15N0 fumarate-ALL GAB-13C0_15N0 GAB-13C1_15N0 GAB-13C2_15N0 GAB-13C3_15N0 GAB-13C4_15N0 GAB-13C5_15N0 GAB-ALL Gln-13C0_15N0 Gln-13C1_15N0 Gln-13C2_15N0 Gln-13C3_15N0 Gln-13C4_15N0 Gln-13C5_15N0 Gln-13C6_15N0 Gln-13C7_15N0 Gln-ALL Glu-13C0_15N0 Glu-13C1_15N0 Glu-13C2_15N0 Glu-13C3_15N0 Glu-13C4_15N0 Glu-13C5_15N0 Glu-13C6_15N0 Glu-ALL Gly-13C0_15N0 Gly-13C1_15N0 Gly-13C2_15N0 Gly-13C3_15N0 Gly-ALL His-13C0_15N0 His-13C1_15N0 His-13C2_15N0 His-13C3_15N0 His-13C4_15N0 His-13C5_15N0 His-13C6_15N0 His-ALL Ile-13C0_15N0 Ile-13C1_15N0 Ile-13C2_15N0 Ile-13C3_15N0 Ile-13C4_15N0 Ile-13C5_15N0 Ile-13C6_15N0 Ile-ALL Isocitrate-13C0_15N0 Isocitrate-13C1_15N0 Isocitrate-13C2_15N0 Isocitrate-13C3_15N0 Isocitrate-13C4_15N0 Isocitrate-13C5_15N0 Isocitrate-13C6_15N0 Isocitrate-ALL Itaconate-13C0_15N0 Itaconate-13C1_15N0 Itaconate-13C2_15N0 Itaconate-13C3_15N0 Itaconate-13C4_15N0 Itaconate-ALL Kynurenic_acid-13C0_15N0 Kynurenic_acid-13C10_15N0 Kynurenic_acid-13C1_15N0 Kynurenic_acid-13C2_15N0 Kynurenic_acid-13C3_15N0 Kynurenic_acid-13C4_15N0 Kynurenic_acid-13C5_15N0 Kynurenic_acid-13C6_15N0 Kynurenic_acid-13C7_15N0 Kynurenic_acid-13C8_15N0 Kynurenic_acid-13C9_15N0 Kynurenic_acid-ALL Kynurenine-13C0_15N0 Kynurenine-13C1_15N0 Kynurenine-13C2_15N0 Kynurenine-13C3_15N0 Kynurenine-13C4_15N0 Kynurenine-13C5_15N0 Kynurenine-13C6_15N0 Kynurenine-13C7_15N0 Kynurenine-13C8_15N0 Kynurenine-ALL lactate-13C0_15N0 lactate-13C1_15N0 lactate-13C2_15N0 lactate-13C3_15N0 lactate-ALL Leu-13C0_15N0 Leu-13C1_15N0 Leu-13C2_15N0 Leu-13C3_15N0 Leu-13C4_15N0 Leu-13C5_15N0 Leu-13C6_15N0 Leu-ALL Lys-13C0_15N0 Lys-13C1_15N0 Lys-13C2_15N0 Lys-13C3_15N0 Lys-13C4_15N0 Lys-13C5_15N0 Lys-13C6_15N0 Lys-ALL Malate-13C0_15N0 Malate-13C1_15N0 Malate-13C2_15N0 Malate-13C3_15N0 Malate-13C4_15N0 Malate-ALL Met-13C0_15N0 Met-13C1_15N0 Met-13C2_15N0 Met-13C3_15N0 Met-13C4_15N0 Met-13C5_15N0 Met-ALL N-Ace-Asp-13C0_15N0 N-Ace-Asp-13C1_15N0 N-Ace-Asp-13C2_15N0 N-Ace-Asp-13C3_15N0 N-Ace-Asp-13C4_15N0 N-Ace-Asp-13C5_15N0 N-Ace-Asp-13C6_15N0 N-Ace-Asp-13C6_15N1 N-Ace-Asp-ALL OHPro-13C0_15N0 OHPro-13C1_15N0 OHPro-13C2_15N0 OHPro-13C3_15N0 OHPro-13C4_15N0 OHPro-13C5_15N0 OHPro-ALL Orn-13C0_15N0 Orn-13C1_15N0 Orn-13C2_15N0 Orn-13C3_15N0 Orn-13C4_15N0 Orn-13C5_15N0 Orn-ALL Phe-13C0_15N0 Phe-13C1_15N0 Phe-13C2_15N0 Phe-13C3_15N0 Phe-13C4_15N0 Phe-13C5_15N0 Phe-13C6_15N0 Phe-13C7_15N0 Phe-13C8_15N0 Phe-13C9_15N0 Phe-ALL Pro-13C0_15N0 Pro-13C1_15N0 Pro-13C2_15N0 Pro-13C3_15N0 Pro-13C4_15N0 Pro-13C5_15N0 Pro-13C6_15N0 Pro-ALL pyroGlu-13C0_15N0 pyroGlu-13C1_15N0 pyroGlu-13C2_15N0 pyroGlu-13C3_15N0 pyroGlu-13C4_15N0 pyroGlu-13C5_15N0 pyroGlu-13C6_15N0 pyroGlu-ALL Ser-13C0_15N0 Ser-13C1_15N0 Ser-13C2_15N0 Ser-13C3_15N0 Ser-13C4_15N0 Ser-ALL Succinate-13C0_15N0 Succinate-13C1_15N0 Succinate-13C2_15N0 Succinate-13C3_15N0 Succinate-13C4_15N0 Succinate-ALL t-aconitate-13C0_15N0 t-aconitate-13C1_15N0 t-aconitate-13C2_15N0 t-aconitate-13C3_15N0 t-aconitate-13C4_15N0 t-aconitate-13C5_15N0 t-aconitate-13C6_15N0 t-aconitate-ALL Thr-13C0_15N0 Thr-13C1_15N0 Thr-13C2_15N0 Thr-13C3_15N0 Thr-13C4_15N0 Thr-ALL Trp-13C0_15N0 Trp-13C10_15N0 Trp-13C11_15N0 Trp-13C1_15N0 Trp-13C2_15N0 Trp-13C3_15N0 Trp-13C4_15N0 Trp-13C5_15N0 Trp-13C6_15N0 Trp-13C7_15N0 Trp-13C8_15N0 Trp-13C9_15N0 Trp-ALL Tyr-13C0_15N0 Tyr-13C1_15N0 Tyr-13C2_15N0 Tyr-13C3_15N0 Tyr-13C4_15N0 Tyr-13C5_15N0 Tyr-13C6_15N0 Tyr-13C7_15N0 Tyr-13C8_15N0 Tyr-13C9_15N0 Tyr-ALL Val-13C0_15N0 Val-13C1_15N0 Val-13C2_15N0 Val-13C3_15N0 Val-13C4_15N0 Val-13C5_15N0 Val-ALL METABOLITES_END #END