#METABOLOMICS WORKBENCH Kugan91_20250529_175729 DATATRACK_ID:5969 STUDY_ID:ST003968 ANALYSIS_ID:AN006529 PROJECT_ID:PR002482 VERSION 1 CREATED_ON June 11, 2025, 9:21 pm #PROJECT PR:PROJECT_TITLE Complex II assembly drives metabolic adaptation to OXPHOS dysfunction. PR:PROJECT_TYPE Biomedical research PR:PROJECT_SUMMARY During acute oxidative phosphorylation (OXPHOS) dysfunction, the reverse PR:PROJECT_SUMMARY activity of succinate dehydrogenase (Complex II) maintains the redox state of PR:PROJECT_SUMMARY Coenzyme Q by utilizing either fumarate or oxygen as terminal electron PR:PROJECT_SUMMARY acceptors. The tendency for one over another has been suggested to be PR:PROJECT_SUMMARY tissue-specific, but the underlying mechanism and consequence of this is PR:PROJECT_SUMMARY unknown. Using quantitative proteomics to screen a panel of HEK293T knockout PR:PROJECT_SUMMARY cell lines, we identified an increase in SDHAF2 protein, a Complex II assembly PR:PROJECT_SUMMARY factor that enhances the flavination of catalytic subunit SDHA, as critical for PR:PROJECT_SUMMARY metabolic adaptation during OXPHOS stress in HEK293T cells. Loss of SDHAF2 PR:PROJECT_SUMMARY during Complex III inhibition resulted in a reduction in Complex II F-site PR:PROJECT_SUMMARY derived reactive oxygen species (ROS), a severe growth impairment, and a net PR:PROJECT_SUMMARY reductive TCA cycle driven by an inability of mitochondria to support additional PR:PROJECT_SUMMARY Complex II assembly. This in turn leads to use of fumarate as terminal electron PR:PROJECT_SUMMARY acceptor at the cost of a ROS-mediated switch to glycolysis. Cell lines adapted PR:PROJECT_SUMMARY to glycolysis did not accumulate SDHAF2 upon OXPHOS stress and exhibited a net PR:PROJECT_SUMMARY reductive TCA cycle and mild growth phenotypes with or without SDHAF2 being PR:PROJECT_SUMMARY present. Thus, our study reveals how Complex II assembly controls a balance PR:PROJECT_SUMMARY between protection of the Q-pool and ROS-meditated signaling during oxidative PR:PROJECT_SUMMARY stress in cells reliant on mitochondrial OXPHOS. PR:INSTITUTE University of Melbourne PR:DEPARTMENT Biochemistry and Pharamacology PR:LABORATORY Stroud Lab PR:LAST_NAME Roopasingam PR:FIRST_NAME Kugapreethan PR:ADDRESS 30 Flemington Road, Parkville Melbourne PR:EMAIL kugan023@gmail.com PR:PHONE 0434297212 PR:FUNDING_SOURCE Australian National Health and Medical Research Council (NHMRC) Project PR:FUNDING_SOURCE (1140906) #STUDY ST:STUDY_TITLE Measuring TCA cycle directional fluxes using 13C6-glucose ST:STUDY_SUMMARY This study aimed to investigate the directionality of carbon flux through the ST:STUDY_SUMMARY TCA cycle in cells experiencing OXPHOS dysfunction, with and without SDHAF2 ST:STUDY_SUMMARY elevation, using 13C6-glucose tracer metabolomics. ST:INSTITUTE University of Melbourne ST:DEPARTMENT Biochemistry and Pharamacology ST:LABORATORY Stroud Lab ST:LAST_NAME Roopasingam ST:FIRST_NAME Kugapreethan ST:ADDRESS 30 Flemington Road, Parkville Melbourne ST:EMAIL k.roopasingam@unimelb.edu.au ST:PHONE 0434297212 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - 01_WT_UL_1 Sample source:01_WT_UL_1 | Treatment:Unlabeled control_1 RAW_FILE_NAME(Raw file name)=DS-548_01_WT_UL_1.raw SUBJECT_SAMPLE_FACTORS - 02_WT_UL_2 Sample source:02_WT_UL_2 | Treatment:Unlabeled control_2 RAW_FILE_NAME(Raw file name)=DS-548_02_WT_UL_2.raw SUBJECT_SAMPLE_FACTORS - 03_WT_UL_3 Sample source:03_WT_UL_3 | Treatment:Unlabeled control_3 RAW_FILE_NAME(Raw file name)=DS-548_03_WT_UL_3.raw SUBJECT_SAMPLE_FACTORS - 04_WT_L_1 Sample source:04_WT_L_1 | Treatment:Labeled Control_1 RAW_FILE_NAME(Raw file name)=DS-548_04_WT_L_1.raw SUBJECT_SAMPLE_FACTORS - 05_WT_L_2 Sample source:05_WT_L_2 | Treatment:Labeled Control_2 RAW_FILE_NAME(Raw file name)=DS-548_05_WT_L_2.raw SUBJECT_SAMPLE_FACTORS - 06_WT_L_3 Sample source:06_WT_L_3 | Treatment:Labeled Control_3 RAW_FILE_NAME(Raw file name)=DS-548_06_WT_L_3.raw SUBJECT_SAMPLE_FACTORS - 07_AF2KO_1 Sample source:07_AF2KO_1 | Treatment:SDHAF2KO_001 RAW_FILE_NAME(Raw file name)=DS-548_07_AF2KO_1.raw SUBJECT_SAMPLE_FACTORS - 08_AF2KO_2 Sample source:08_AF2KO_2 | Treatment:SDHAF2KO_002 RAW_FILE_NAME(Raw file name)=DS-548_08_AF2KO_2.raw SUBJECT_SAMPLE_FACTORS - 09_AF2KO_3 Sample source:09_AF2KO_3 | Treatment:SDHAF2KO_003 RAW_FILE_NAME(Raw file name)=DS-548_09_AF2KO_3.raw SUBJECT_SAMPLE_FACTORS - 10_BKO_1 Sample source:10_BKO_1 | Treatment:SDHBKO_001 RAW_FILE_NAME(Raw file name)=DS-548_10_BKO_1.raw SUBJECT_SAMPLE_FACTORS - 11_BKO_2 Sample source:11_BKO_2 | Treatment:SDHBKO_002 RAW_FILE_NAME(Raw file name)=DS-548_11_BKO_2.raw SUBJECT_SAMPLE_FACTORS - 12_BKO_3 Sample source:12_BKO_3 | Treatment:SDHBKO_003 RAW_FILE_NAME(Raw file name)=DS-548_12_BKO_3.raw SUBJECT_SAMPLE_FACTORS - 13_UQKO_1 Sample source:13_UQKO_1 | Treatment:UQCRC1KO_001 RAW_FILE_NAME(Raw file name)=DS-548_13_UQKO_1.raw SUBJECT_SAMPLE_FACTORS - 14_UQKO_2 Sample source:14_UQKO_2 | Treatment:UQCRC1KO_002 RAW_FILE_NAME(Raw file name)=DS-548_14_UQKO_2.raw SUBJECT_SAMPLE_FACTORS - 15_UQKO_3 Sample source:15_UQKO_3 | Treatment:UQCRC1KO_003 RAW_FILE_NAME(Raw file name)=DS-548_15_UQKO_3.raw SUBJECT_SAMPLE_FACTORS - 16_DKO_1 Sample source:16_DKO_1 | Treatment:UQCRC1/SDHAF2DKO_001 RAW_FILE_NAME(Raw file name)=DS-548_16_DKO_1.raw SUBJECT_SAMPLE_FACTORS - 17_DKO_2 Sample source:17_DKO_2 | Treatment:UQCRC1/SDHAF2DKO_002 RAW_FILE_NAME(Raw file name)=DS-548_17_DKO_2.raw SUBJECT_SAMPLE_FACTORS - 18_DKO_3 Sample source:18_DKO_3 | Treatment:UQCRC1/SDHAF2DKO_003 RAW_FILE_NAME(Raw file name)=DS-548_18_DKO_3.raw SUBJECT_SAMPLE_FACTORS - 28_WT_DMSO_1 Sample source:28_WT_DMSO_1 | Treatment:Labeled Control with DMSO_1 RAW_FILE_NAME(Raw file name)=DS-548_28_WT_DMSO_1.raw SUBJECT_SAMPLE_FACTORS - 29_WT_DMSO_2 Sample source:29_WT_DMSO_2 | Treatment:Labeled Control with DMSO_2 RAW_FILE_NAME(Raw file name)=DS-548_29_WT_DMSO_2.raw SUBJECT_SAMPLE_FACTORS - 30_WT_DMSO_3 Sample source:30_WT_DMSO_3 | Treatment:Labeled Control with DMSO_3 RAW_FILE_NAME(Raw file name)=DS-548_30_WT_DMSO_3.raw SUBJECT_SAMPLE_FACTORS - 31_WT_AA_1 Sample source:31_WT_AA_1 | Treatment:Labeled Control with treatment_1 RAW_FILE_NAME(Raw file name)=DS-548_31_WT_AA_1.raw SUBJECT_SAMPLE_FACTORS - 32_WT_AA_2 Sample source:32_WT_AA_2 | Treatment:Labeled Control with treatment_2 RAW_FILE_NAME(Raw file name)=DS-548_32_WT_AA_2.raw SUBJECT_SAMPLE_FACTORS - 33_WT_AA_3 Sample source:33_WT_AA_3 | Treatment:Labeled Control with treatment_3 RAW_FILE_NAME(Raw file name)=DS-548_33_WT_AA_3.raw SUBJECT_SAMPLE_FACTORS - 34_AF2KO_AA_1 Sample source:34_AF2KO_AA_1 | Treatment:Labeled SDHAF2KO with treatment_1 RAW_FILE_NAME(Raw file name)=DS-548_34_AF2KO_AA_1.raw SUBJECT_SAMPLE_FACTORS - 35_AF2KO_AA_2 Sample source:35_AF2KO_AA_2 | Treatment:Labeled SDHAF2KO with treatment_2 RAW_FILE_NAME(Raw file name)=DS-548_35_AF2KO_AA_2.raw SUBJECT_SAMPLE_FACTORS - 36_AF2KO_AA_3 Sample source:36_AF2KO_AA_3 | Treatment:Labeled SDHAF2KO with treatment_3 RAW_FILE_NAME(Raw file name)=DS-548_36_AF2KO_AA_3.raw #COLLECTION CO:COLLECTION_SUMMARY Cells were seeded at 50% confluency in 6-well dishes containing DMEM media CO:COLLECTION_SUMMARY (Thermo Scientific) 24 hours prior to the experiment. CO:SAMPLE_TYPE HEK cells #TREATMENT TR:TREATMENT_SUMMARY For stable isotopologue tracing of 13C6-glucose, 12C containing medium was TR:TREATMENT_SUMMARY replaced with glucose-free DMEM (Thermo Scientific) supplemented with 25 mM of TR:TREATMENT_SUMMARY 13C6-glucose (Merck), 1 mM Sodium pyruvate (Thermo Scientific), 10% FBS, 50 TR:TREATMENT_SUMMARY µg/mL uridine, and a mixture of 100 µg/mL streptomycin and 100 units/mL TR:TREATMENT_SUMMARY penicillin. After 8 hours of incubation in the tracer media, cells underwent TR:TREATMENT_SUMMARY polar metabolite extraction, as described in the subsequent sections. In TR:TREATMENT_SUMMARY relevant experiments, Antimycin A was introduced 8 hours prior to the addition TR:TREATMENT_SUMMARY of tracer and maintained until the completion of the experiment, respectively. TR:TREATMENT_SUMMARY Cells were then washed with PBS and snap-frozen by direct addition of liquid TR:TREATMENT_SUMMARY nitrogen. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Polar metabolites were extracted by adding 600 µL of HPLC grade SP:SAMPLEPREP_SUMMARY methanol:chloroform mixture (9:1; [v/v]), containing internal standards 1.66μM SP:SAMPLEPREP_SUMMARY 13C5,15N-valine and 1.66μM 13C-sorbitol mixture for LC-MS analysis. After 10 SP:SAMPLEPREP_SUMMARY minutes incubation on ice, cells were harvested, and lysates centrifuged at SP:SAMPLEPREP_SUMMARY 16,100 x g at 4˚C for 5 minutes. For LC-MS a stream of N2 used to dry samples SP:SAMPLEPREP_SUMMARY and were subsequently subjected to LC-MS analysis #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Orbitrap ID-X Tribrid mass spectrometer (Thermo Scientific) CH:COLUMN_NAME Merck SeQuant ZIC-HILIC (150 x 4.6mm,5um) CH:SOLVENT_A 100% Water; 20 mM Ammonium carbonate CH:SOLVENT_B 100% Acetonitrile CH:FLOW_GRADIENT time (t) = 0.0 min, 80% B; t = 0.5 min, 80% B; t = 15.5 min, 50% B; t = 17.5 CH:FLOW_GRADIENT min, 30% B; t = 18.5 min, 5%; t = 21.0 min, 5% B; t = 23–33 min, 80% CH:FLOW_RATE 300 μL/min CH:COLUMN_TEMPERATURE 25℃ #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Orbitrap IQ-X Tribrid MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS Metabolite detection was performed on a Orbitrap ID-X Tribrid Mass Spectrometer MS:MS_COMMENTS (Thermo Scientific) coupled to heated electrospray ionisation (H-ESI) source MS:MS_COMMENTS with the following conditions: sheath gas flow 40 arbitrary units (Arb), MS:MS_COMMENTS auxiliary gas flow 10 Arb, sweep gas flow 1 Arb, ion transfer tube temperature MS:MS_COMMENTS 275 °C, and vaporizer temperature 320 °C. The RF lens value was 35%. Data was MS:MS_COMMENTS acquired in negative polarity with spray voltages of 3500 V. Data processing MS:MS_COMMENTS comment: Data analysis is performed on TraceFinder Software (Thermo MS:MS_COMMENTS Scientific™) and El-Maven (https://www.elucidata.io/el-maven). Level 1 MS:MS_COMMENTS metabolite identification was based on matching accurate mass and retention time MS:MS_COMMENTS to the 500 authentic standards in the Metabolomics Australia (MA) in‐house MS:MS_COMMENTS library #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Relative abundance MS_METABOLITE_DATA_START Samples 01_WT_UL_1 02_WT_UL_2 03_WT_UL_3 04_WT_L_1 05_WT_L_2 06_WT_L_3 07_AF2KO_1 08_AF2KO_2 09_AF2KO_3 10_BKO_1 11_BKO_2 12_BKO_3 13_UQKO_1 14_UQKO_2 15_UQKO_3 16_DKO_1 17_DKO_2 18_DKO_3 28_WT_DMSO_1 29_WT_DMSO_2 30_WT_DMSO_3 31_WT_AA_1 32_WT_AA_2 33_WT_AA_3 34_AF2KO_AA_1 35_AF2KO_AA_2 36_AF2KO_AA_3 Factors Sample source:01_WT_UL_1 | Treatment:Unlabeled control_1 Sample source:02_WT_UL_2 | Treatment:Unlabeled control_2 Sample source:03_WT_UL_3 | Treatment:Unlabeled control_3 Sample source:04_WT_L_1 | Treatment:Labeled Control_1 Sample source:05_WT_L_2 | Treatment:Labeled Control_2 Sample source:06_WT_L_3 | Treatment:Labeled Control_3 Sample source:07_AF2KO_1 | Treatment:SDHAF2KO_001 Sample source:08_AF2KO_2 | Treatment:SDHAF2KO_002 Sample source:09_AF2KO_3 | Treatment:SDHAF2KO_003 Sample source:10_BKO_1 | Treatment:SDHBKO_001 Sample source:11_BKO_2 | Treatment:SDHBKO_002 Sample source:12_BKO_3 | Treatment:SDHBKO_003 Sample source:13_UQKO_1 | Treatment:UQCRC1KO_001 Sample source:14_UQKO_2 | Treatment:UQCRC1KO_002 Sample source:15_UQKO_3 | Treatment:UQCRC1KO_003 Sample source:16_DKO_1 | Treatment:UQCRC1/SDHAF2DKO_001 Sample source:17_DKO_2 | Treatment:UQCRC1/SDHAF2DKO_002 Sample source:18_DKO_3 | Treatment:UQCRC1/SDHAF2DKO_003 Sample source:28_WT_DMSO_1 | Treatment:Labeled Control with DMSO_1 Sample source:29_WT_DMSO_2 | Treatment:Labeled Control with DMSO_2 Sample source:30_WT_DMSO_3 | Treatment:Labeled Control with DMSO_3 Sample source:31_WT_AA_1 | Treatment:Labeled Control with treatment_1 Sample source:32_WT_AA_2 | Treatment:Labeled Control with treatment_2 Sample source:33_WT_AA_3 | Treatment:Labeled Control with treatment_3 Sample source:34_AF2KO_AA_1 | Treatment:Labeled SDHAF2KO with treatment_1 Sample source:35_AF2KO_AA_2 | Treatment:Labeled SDHAF2KO with treatment_2 Sample source:36_AF2KO_AA_3 | Treatment:Labeled SDHAF2KO with treatment_3 2-Phenylglycine_C12 PARENT 523.56 502.5 1273.21 7650.55 6718.69 4646.27 5445.39 5870.7 5942.67 3785.41 4982.83 6566.91 1093.56 606.96 839.53 1132.26 900.23 498.87 4709.86 6588.52 8188.4 840.76 1418.7 355.17 510.76 921.52 973.36 2-Phenylglycine_C13-label-1 0 0 0 652.94 607.64 933.76 623.97 568.72 208.57 755.4 1105.86 599.05 1007.18 566.49 702.01 625.2 805.89 751.5 964.79 521.59 655.14 322.2 494 774.53 162.79 733.81 352.86 2-Phenylglycine_C13-label-3 0 0 727.03 3319.61 2362.54 1419.46 590.98 893.41 2079.14 2295.85 1276.24 3034.21 384.43 318.46 454.62 439.56 0 333.3 2366.63 1541.28 2433.51 384.26 450.36 267.53 322.3 325.23 273.75 3,4-Dihydroxybenzeneacetic acid_C12 PARENT 4293.33 3477.56 5186.42 6138.84 5960.05 4635.18 5292.69 7776.62 8717.87 3978.2 3141.33 4352.39 4730.42 4297.14 2553.46 4362.59 4092.71 7052.01 4717.15 5906.33 6781.19 1994.6 4615.55 3984.65 3225.69 3813.07 5773.1 4-Hydroxyproline_C12 PARENT 170840.38 152782.08 160153.69 14178.83 15404.37 18744.38 16844.66 13611.17 13677.23 14618.41 21295.79 15928.86 11889.12 9225.58 12307.17 14905.56 13425.92 10125.1 15663.82 14980.86 15373.01 10531.35 17861.94 16753.27 18939.97 14383.01 11620.21 Adenine_C12 PARENT 65481.39 11866.15 27920.01 11001.55 10508.75 9443.18 13738.57 4273.82 7729.5 6912.72 16646 7033.62 9512.15 3438 9846.12 10611.81 4106.51 8936.37 8341.82 4488.36 13641.97 22033.72 10581.31 16791.16 13681.7 11605.39 15344.44 Adenine_C13-label-1 1974.67 676.89 541.31 6518.35 7554.91 6084.72 6630.79 1667.07 4873.64 3845.48 8227.93 5359.85 5033.54 1942.9 3101.84 5233.82 1686.85 2967.82 3459.93 3664.55 7968.97 5744.35 5026.31 7095.78 4123.91 4359.41 4652.31 Adenine_C13-label-2 0 0 0 3251.56 2810.69 2622.3 2517.47 1223.42 655.2 1740.69 4542 2604.46 2012.74 720.99 735.67 2725.71 374.54 1405.76 1832.2 2060 4642.05 758.74 2393.02 1904.98 1244.73 2111.07 1204.47 Adenine_C13-label-3 0 0 0 2086.95 1765.88 1422.96 1158.8 359.87 320.81 1127.18 2847.03 572.67 510.21 335.39 764.77 1138.42 0 676.22 353.55 901.69 1396.74 1164.42 719.28 1683.03 944.34 372.29 385.55 Arginine_C12 PARENT 45109.44 23638.03 23513.41 31402.98 39970.21 22810.72 70653 38226.22 27319.99 46040.43 32157.7 36440.27 25929.24 28991.13 24622.69 38334.68 31137.3 32831.83 29884.17 29128.64 24113.76 30213.86 43995.56 34753.14 60108.8 58609.97 36979.89 Arginine_C13-label-1 1949.62 1079.2 1398.91 1870.82 1199.55 1333.61 2482.44 2269.02 1303.2 3762.71 1392.98 916.35 1490.56 1723.58 672.11 2026.43 1660.75 1301.68 1860.79 1556.04 662.47 2578.86 1624.62 644.71 3773.88 2892 1808.56 Citrulline_C12 PARENT 35068.09 37080.62 39855 4014.1 1757.8 2955.53 1618.15 2319.2 1582.55 1413.07 736.77 1308.64 1220.44 1055.19 387.43 3333.57 540.98 1829.84 759.81 1977.97 3282.43 795.65 618.27 1601.19 983.22 837.63 519.47 Citrulline_C13-label-1 2272.12 1854.84 1569.21 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 351.61 0 0 0 0 0 331.3 Cystathionine_C12 PARENT 939955.69 768448.06 829158.31 618239.56 718141.19 558033.69 449825.59 444677.72 391974.47 440019.16 385093.66 346420.38 417754.34 420279.41 356616.53 485545.09 451977.91 519674.41 429497.16 429077.47 597217.75 185954.98 252130.2 238728.25 83833.14 143311.58 144857.55 Cystathionine_C13-label-1 47248.49 39486.25 60431.89 90561.43 106762.48 86621.44 56479.2 52075.89 39593.03 65311.33 56842.03 52415.67 51781.74 57627.93 43287.83 68455.62 63075.2 75941.23 44967.67 47979.17 77362.22 12791 24487.49 20691.53 14254.89 11145.47 13000.05 Cystathionine_C13-label-2 4856.18 1934.14 2752.27 24597.11 28576.22 25220.15 14220.37 16497 11020.87 19071.83 14457.7 11793.94 16086.21 15609.39 11995.27 21996.25 19704.03 20739.89 13574.12 14631.11 21700.31 3853.56 6501.89 4803.42 1354.55 1849.7 2950.33 Cystathionine_C13-label-3 0 0 0 119428.9 132433.44 110498.04 56842.79 56048.53 43186.88 81909.95 70253.09 71593.09 31349.42 32217.48 28652.85 37333.96 41059.25 43605.62 48738.61 55138.51 85087.37 8914.76 11633.52 13432.55 3621.97 5561.42 6363.75 Cystathionine_C13-label-4 0 0 0 8836.08 12408.94 9984.34 5561.24 5610.83 3899.39 5724.56 6942.81 5256.5 3940.36 3845.45 2881.5 3597.71 3251.28 4548.4 5740.43 6208.83 8680.17 495.6 1067.26 618.23 0 0 384.57 Cystathionine_C13-label-5 0 0 340.93 974.11 780.43 1070.89 347.06 354.38 342.06 357.28 0 564.69 0 0 0 0 0 0 0 1020.3 1008.68 0 0 0 0 0 0 Cytidine_C12 PARENT 11125.28 9118.82 7194.46 10428.47 11213.25 7904.01 10399.09 8811.38 6637.5 7416.97 6856.79 5139.99 4969.58 7149.66 4221.13 4684.15 5462.65 4337.19 3519.33 4330.76 4847.37 9337.01 8857.9 9150.97 5481.56 7493.92 6326.25 Cytidine_C13-label-1 934.16 330.95 438.81 330.47 412.83 359.57 664.71 500.29 462.87 0 381.58 0 0 840.47 0 0 382.9 0 369.4 493.51 0 497.79 573.25 435.78 0 940.11 520.94 D-2-Hydroxyglutaric acid_C12 PARENT 1554150.88 1674814 1885702.12 1055912.62 1301680.62 1063187.62 470736.16 544697.31 454010.91 430883.41 371688.34 275364.84 6615202.5 6602828 6002026 6116454.5 6237308.5 6659489.5 785267.75 815805.69 1073196.38 1744317.38 3193072 2656295.25 368707.5 520496.78 575254.56 D-2-Hydroxyglutaric acid_C13-label-1 54109.33 58221.7 70216.09 50023.81 75806.68 53513.35 19068.9 20031.55 14315.6 11280.59 9955.77 9221.39 349554.78 366064.12 334032.59 342177.97 328467.25 342378.88 35424.75 34577.41 56949.45 66747.76 161828.42 115388.59 7079.66 12414.72 13245.65 D-2-Hydroxyglutaric acid_C13-label-2 1174.13 421.14 608.1 446210.34 561873.06 454201.34 169175.98 190671.83 124582.19 19793.27 28890.45 20146.86 26066.27 23513.54 22114.47 32513.77 36225.11 39201.28 301788.47 331792.16 447859.72 5396.92 14616.44 9101.89 1586.37 1627.5 2100.36 D-2-Hydroxyglutaric acid_C13-label-3 335.87 0 364.27 111948.12 143600.52 112650.56 25769.88 25970.44 25073.67 5595.89 2301.04 2557.53 1953.46 1757.51 2313.46 3937.7 4033.4 4209.01 61260.38 58797.92 106010.34 363.96 1103.58 531.57 0 293.34 382.25 D-2-Hydroxyglutaric acid_C13-label-4 0 0 0 152064.92 208569.81 153837.14 42983.92 45721.61 25532.9 16677.65 10659.52 12217.64 4752.61 4558.4 4955.33 8748.87 11111.61 11484.13 91407.78 101228.79 152916.14 1271.01 2841.8 2313.29 0 0 0 D-2-Hydroxyglutaric acid_C13-label-5 1119.99 458.62 324.21 59629.75 71521.16 46225.07 17857.27 21709.8 13093.82 5443.25 3556.3 2549.28 3293.56 3881.65 2101.9 4687.56 5429.64 5233.52 28330.9 31854.76 55536.43 421.45 1541.38 680.7 965.84 1320.02 1622.25 D-Lactic acid_C12 PARENT 41574748 29067018 30907414 4158136.75 4698926.5 4762795 5006153.5 3569897 2741800.75 4365089.5 5599142 4838348 14923792 4745907 6356978 4278874 1802830 3593569 8633186 1969451.38 3585311.25 3538220.25 3902933.75 4461351.5 2854569 4099622 4253006 D-Lactic acid_C13-label-1 1604577.88 1121860.12 1171558.25 166667.38 160837.66 173752.78 244413.52 143763.62 109612.25 106423.49 158558.55 99038.8 414680.34 143298.84 199102 127726.82 47183.58 107718.19 339513.16 73116.49 133854.55 109594.34 125790.57 148472.61 74637.19 113836.12 109016.21 D-Lactic acid_C13-label-2 8006.5 4440.32 4114.79 417322.41 393992.5 517949.41 410908.59 284404.16 192753.83 347554.78 453268.47 363629.75 1847769.5 466114.25 608914.5 406281.09 171322.44 349055.75 700818 208397 387370.09 249262.17 415197.53 386979.09 139798.73 297926.59 280472.31 D-Lactic acid_C13-label-3 35645.22 22714.58 90470.4 38100920 36671700 46493712 30521034 22092142 15557661 39690244 54527904 45923664 170422768 56337492 71662056 41351132 18368178 38338656 74735144 18414858 32158778 27176778 45644148 41833808 15480999 35191572 35162624 Deoxycytidine_C12 PARENT 3799.57 2281.2 1597.63 2942.07 6448.33 2290.44 3420.27 3121.46 3998.92 2707.21 1941.2 857.88 380.15 500.88 2689.56 4502.48 512.93 668.76 2320.46 3483.71 5390.74 559.14 934.72 1649.82 1061.16 1105.3 1545.81 Deoxyuridine_C12 PARENT 3065.18 1115.25 2219.51 0 960.21 874.82 1787.47 453.64 515.49 1003.29 2139.4 1254.14 4570.63 2558.45 2244.14 6358.2 1674.05 1506.79 0 0 0 0 608.36 0 0 405.51 0 Fumaric acid_C12 PARENT 827280 973764.06 999225.81 543592.44 650322 592822.31 385079.53 375691.78 309892.62 125668.59 112138.73 91778.16 479207.66 487286.84 396002.66 453527.91 398204.75 445047.25 448948.72 412498.59 504800.47 241478.88 506782.09 344133 151350.98 222253.52 243207 Fumaric acid_C13-label-1 15156.72 16157.93 20515.05 26450.15 38897.61 30330.95 15871.31 19096.67 14238.59 3307.39 2271.37 2547.67 10105.97 10154.92 8484.46 10485.24 8461.33 9063.39 24506.61 19076.3 22634.68 5073 9878.2 6187.88 3131.23 4917.03 3313 Fumaric acid_C13-label-2 325.74 0 302.11 204777 247394.62 237556.92 97926.59 111354.6 87553.66 7415.11 7802.45 6406.02 2507.78 2690.49 2786.17 5748.89 4042.99 3376.77 160303.08 164627.61 183168.11 1798.11 3101.65 2150.71 1506.13 1928.41 2146.49 Fumaric acid_C13-label-3 0 0 451.89 152058.59 180301 168870.39 90436.9 96446.91 75344.97 23182.68 24358.99 25162.97 62033.08 67246.9 73844.21 136705.64 123913.25 149887.69 111112.99 114390 135860.61 27074.23 27851.84 26714.8 27922.68 35338.15 33647.05 Fumaric acid_C13-label-4 0 0 0 34919.64 43458.95 44958.64 18969.24 23076.38 14375.37 3814.62 2721.05 3088.29 323.32 493.51 509.43 475.51 430.28 491.77 31257.62 25309.06 34253.55 700.38 370.05 814.67 463.23 829.54 361.43 Glutamic acid_C12 PARENT 12427821 12985763 12790713 9156167 8875487 9865954 6667808 7275035.5 7074224.5 9000620 7871694 9020319 10220144 10754508 10520023 11124436 10764478 12114688 7333722.5 7590698 8300529.5 10900220 11571783 11716100 8116228 9386571 9485999 Glutamic acid_C13-label-1 723539.44 729782.81 737142 697581.12 698505.56 757354.69 540540 572203.31 583126.06 519603.28 468206.59 521940.91 559499.19 644895.44 591498.25 630284.75 645681.88 674499.44 618990.12 551801.56 686757.69 638297.94 665824.25 678299.94 461285.97 516935.25 562788.62 Glutamic acid_C13-label-2 5656.9 5477.26 7144.21 3946626.25 3866570.25 4592075.5 2541545 2839574.25 2770107.75 1414115.38 1208829.12 1345351.38 75267.88 79518.16 71434.16 141034.64 120635.21 148425.77 3143485 2927028.25 3431402.75 68769.84 110784.91 72304.73 33447.68 31758.47 42131.93 Glutamic acid_C13-label-3 413.12 669.68 594.92 1239891.38 1191006 1537225 874288.75 943134.81 861098.31 92198.06 86549.9 106397.06 23121.36 24111.43 15426.71 51610.19 20899.34 15061.56 944012.69 978077.19 1056351.62 31487.58 19101.93 24201.94 43384.89 49609.8 33333.59 Glutamic acid_C13-label-4 0 0 0 1677500.38 1619708 1896589.5 1027645.75 1183548.25 1082969.62 691669.94 609338.06 694314.06 9944.55 12147.32 9085.44 26600.29 26032.13 30187.12 1231929.75 1219408.62 1495346.38 12519.98 11992.11 10442 7000.77 7346.55 7795.35 Glutamic acid_C13-label-5 0 277.4 0 883624.19 865849 1089626.38 633204.75 697768.25 654752.5 276839.16 244728.88 274821.22 6823.05 7152.22 5667.42 11065.5 12290.85 13543.15 681211.25 654270.12 837064 5118.91 6313.47 5997.71 5064.4 4734 5207.06 Glutamine_C12 PARENT 12635327 12919313 13308219 9338273 10979088 9231473 9141371 9483461 8415273 9597481 9068189 8693781 16882338 15295649 13169892 14438261 13188877 15034247 8309501.5 8152996 10247817 8913993 13651025 11700229 7502730.5 9614550 10266635 Glutamine_C13-label-1 661250.69 653070.44 720112.75 507959.41 553339.31 525190.38 507110.84 530276.56 474772.34 508204.12 448127.78 540491.19 881467 795709.06 716161.5 793717.75 688216.31 793359.44 426473.22 419374.22 553011.81 486858.91 742753.44 605002.44 386790.5 539113.44 550308.25 Glutamine_C13-label-2 7600.76 7349.19 6514.35 286857.78 354155.72 340691.12 241429.39 274971 214974.64 77629.62 70221.95 77076.65 20435.44 19820.55 14445.84 13763.23 16569.15 16915.64 142216.48 163892.11 221251.3 9198.83 11573.98 9779.86 4176.68 6036.17 6001.99 Glutamine_C13-label-3 0 0 0 37495.29 45737.68 46736.83 33191.04 36804.97 27571.88 7299.49 7592.68 7984.55 0 172.6 0 0 380.14 0 24806.2 25736.48 40779.93 0 0 0 0 0 0 Glutamine_C13-label-4 0 0 0 68350.76 68988.93 75589.09 39838.64 54712.68 32513.73 24581.69 32890.29 26745.67 2277.25 547.53 647.38 1596.42 1127.71 6596.88 27734.34 36940.39 41057.03 0 0 0 0 0 0 Glutamine_C13-label-5 0 0 0 27621.52 24268.78 22956.81 21037.92 24091.59 17577.78 11090.18 8751.05 9236.63 1017.69 0 754.59 990.52 0 1584.31 12096.36 14793.7 19968.48 0 0 297.06 0 0 0 Glycerol_C12 PARENT 57473.13 81318.19 108844.04 29366.77 26800.78 17693.67 162477.75 68538.16 79345.12 30989.73 33353.35 24287.33 236987.92 34262.43 13091.1 30433.48 20825.62 25889.77 24227.88 20751.18 31165.62 115721.12 9084.11 19941.61 18208.54 36354.03 60008.58 Glycerol_C13-label-3 0 0 0 8918.97 12961.75 6466.3 2544.9 1934.72 1633.25 13177.21 18775.49 14637.88 20798.71 23495.63 10714.08 33524.12 14915.43 31682.23 4168.78 7780.64 2646.28 5926.82 5078.85 8441.02 2501.27 5467.06 5902.14 Glycine_C12 PARENT 3766164.25 3934684 3986350.75 3624216.75 4062323.25 3340898.75 3185841 3020828 2837520.25 3300567.25 3043003 2537181 2624351.25 2521035.75 2260402 2334015.25 2043520.38 2312094.75 2952195.25 2944179 3109711.25 1716117.12 2627377.75 2362001 1921196.62 2163478.75 2209895 Glycine_C13-label-1 65891.27 65907.94 76191.67 86191.63 102386.62 89036.52 70974.12 56580.52 60967.28 62207.36 63100.02 39095.47 34898.98 36210.15 36246.76 39181.27 28294.72 33554.32 60474.23 60686.03 79316.62 27333.05 40392.33 39674.22 29950.53 28279.31 33318.54 Glycine_C13-label-2 3567.66 2501.08 3370.14 1460794.5 1631990 1423182.38 1044548.94 1046711 895260.5 1436776.88 1366886.12 1116312.12 1112808.12 1130430.88 997995.75 1092900.5 949690.19 1096982.88 1023759.75 1093839.62 1175228.38 598502.69 1156928.38 958939.56 564137.56 730597.31 783390 Leucine_C12 PARENT 8300378.5 7834228 8099338.5 7840182.5 8327912 7517288 8690013 7027392 5114192 8965755 7545336.5 6190728 6264091.5 6064525.5 6267211.5 7752785.5 5877405.5 7124190 6111626 5919100 5635189.5 4438694 6662686.5 6716677.5 6761238.5 6257562.5 6959368.5 Leucine_C13-label-1 535195.5 463539.59 526457.94 471194.72 505423.53 438541.84 569628.81 437449.97 283422.41 567452.94 512910.41 389645.09 388970.78 349939.78 340612.72 552234.38 351437.41 396276.34 417491.03 367429.84 317229.03 285126.59 390082.88 377465.59 404904.5 373512.78 424679.16 Leucine_C13-label-2 8107.83 6886.58 6497.19 8409.49 12205.76 6321.1 10457.1 4119.85 5620.77 5671.62 8041.61 5100.2 7243.41 3985.89 5254.35 4920.69 8104.53 3306.83 3935.62 5926.2 5482.66 4070.25 4262.57 5999.36 5097.51 6506.31 5999.04 Lysine_C12 PARENT 391391.09 195401.58 205969.08 359738.66 501958.59 207095.73 454025.12 410561.41 248781.88 451157.75 257621.2 368221.91 288408.66 377361.25 318066.41 381679.66 403193.34 327932.72 321203.34 326690.88 177992.05 294208.91 324623.66 283560.59 473221.34 517054.59 297638.91 Lysine_C13-label-1 17233.56 5890.1 5683.58 11042.74 16060.63 6985.06 15412.44 15301.96 7162.22 14623.68 8574.88 13242.83 8197.87 11626.43 9266.65 11476.07 14900.07 12829.46 10308.93 12793.4 4767.64 9623.12 13609.66 8486.82 18002.99 17071.93 9467.69 Methionine_C12 PARENT 2014244.88 1859266.12 2076779.38 2156999.5 2333625.75 2186720.5 2333965.5 2099107.25 1951153.62 2325707 2206614.25 1894276 1742280.62 1866968.12 1719043.12 1908472.62 1893590 1884114.62 1678281.12 1880457.12 1973296.38 1522051.62 2063584.38 1921644 1796018.62 1901558 1899529.38 Methionine_C13-label-1 82703.88 76967.13 86830.66 82436.63 108385.06 89989.81 105860.9 86124.47 82532.26 112063.4 89970.94 86763.32 72266.37 79283.12 71293.85 80766.87 74204.76 74215.99 72183.49 75271.71 78395.1 62795.8 100901.82 80302.9 76120.7 79914.8 79139.63 Methionine_C13-label-2 497.14 1135.24 808.59 422.9 1713.41 1640.67 556.23 1297.13 842.54 1129.86 1668.42 1003.14 427.75 1596.36 1587.2 1039.3 976.45 571.79 553.7 515.59 1068.08 335.29 1160.93 524.09 438.99 982.16 755.58 Methionine_C13-label-3 0 0 0 1427.02 1155.9 1898.26 820.43 759.77 482.02 1515.34 1105.16 729.31 388.63 1992.24 587.39 766.58 627.71 1163.64 521.72 1172.45 1620.94 607.7 430.84 1338.31 434.52 0 336.8 Methionine_C13-label-4 0 0 299.41 51642.32 56518.11 55094.56 34228.74 26363.38 21342.3 31305.05 23332.26 22248.39 12189.36 13893.15 11322.28 12237.1 11968.59 12512.13 25402.7 31170.58 36759.11 4770.98 8870.6 7769.47 4355.65 6274.99 6318.03 Myristic acid_C12 PARENT 72009.32 25651.63 35733.92 33949.39 23590.44 21050.53 50997.83 27794.67 24577.41 34734.11 25150.29 71405.26 36674.53 21654.6 32000.1 63234.93 26644.57 30925.92 27023.23 26267 72641.07 51162.41 32342.85 30756.71 27857.49 27309.16 31903.04 Myristic acid_C13-label-1 7590.16 3999.1 6519.35 4718.57 3883.56 2909.39 6908.13 3600.42 3624.13 5781.71 4057.33 7695.32 5345.24 3935.29 3723.73 9224.83 3616.64 3751.39 3863.97 3776.16 7146.13 7459.44 5713.9 4797.74 3421.38 3227.92 4722.47 Myristic acid_C13-label-2 813.39 0 444.97 0 335.56 0 366.51 380.63 427.04 0 781.17 365.28 2114.56 539.02 791.84 1329.22 480.42 1898.38 0 0 943.28 1755.44 2282.27 1160.84 463.76 892.78 1964.64 Orotic acid_C12 PARENT 5011.67 12829.81 3280.94 5623.49 4132.76 2248.55 4230.32 3933.44 2326.28 1999.04 2644.78 2765.49 87394.81 83522.35 38158.15 42113.98 39155.02 21134.02 2225.46 1302.15 3556.43 53737.91 92484.77 89205.66 86246.91 139233.7 96884.06 Orotic acid_C13-label-1 0 478.63 0 0 0 0 0 304.51 0 0 0 0 1806.47 3108.77 1440.95 2771.25 807.62 387.67 0 0 0 2642.63 3138.37 2266.1 3110.84 3737.25 2698.51 Orotic acid_C13-label-2 0 0 0 461.16 0 638.02 1429.21 753.74 446.43 362.14 0 336.34 469.72 415.61 0 391.95 369.82 0 463.21 372.85 536.41 0 379.15 0 1532.46 1497.62 404.14 Orotic acid_C13-label-3 0 0 0 979.26 0 0 838.35 780.73 1453.34 1010.09 921.08 832.87 11877.91 13519.66 8128.82 13573.91 12658.35 5705.09 347.3 474.11 492.46 8806.8 7013.03 8973.68 23272.8 33279.08 22448.3 Oxoglutaric acid_C12 PARENT 3815572 3595286.75 3870530 2108114.75 2719530 2277283.5 1612677.62 1598595 1396366 1649673.38 1618959.62 1553865.62 5515709.5 5372092 5098316.5 5143965.5 4885035.5 5125182 2002147.5 1967632.12 2569571.25 2308648.75 2861561.25 2434453.75 1446816.38 1912416.88 2031999.62 Oxoglutaric acid_C13-label-1 205873 181370.7 210494.88 156004.41 194924 153034.83 103830.27 86905.21 98681.54 72039.96 65434.35 60836.3 299583.44 301241.28 281007.25 287118 257086.39 283371.72 134845.33 143391.2 199656.42 101568.23 151100.55 112181.35 55790.01 93913.91 88140.25 Oxoglutaric acid_C13-label-2 1579.14 1564.89 1798.8 912409.5 1170375.62 1013320.56 633602.62 617903.12 557247.75 249985.61 226931.08 224160.33 36740.49 33200.27 28309.9 46878.7 33187.69 48716.49 828187.69 824830.69 1081891.38 12183.63 15651.52 11629.84 7018.08 8983.95 9010.93 Oxoglutaric acid_C13-label-3 168.28 551.64 0 275591.69 360475.03 322409.91 187903.67 168889.95 155881.8 19455.12 16289.17 15973.59 2106.21 2717.63 1497.92 3701.07 4642.42 3845.9 238109.11 234704.94 325701.38 1047.15 1469.63 594.37 0 749 746.48 Oxoglutaric acid_C13-label-4 0 0 0 386175.28 482628.72 439519.72 251187.44 242029.89 200596.8 103964.9 109322.26 96106.56 6218.97 5872.06 5371.6 11865.93 10335.27 14368.87 310010.16 326075.25 423185.62 2517.59 2686.67 3978.33 1115.26 2324.74 1449.28 Oxoglutaric acid_C13-label-5 0 0 0 193136.42 254444.02 228361.83 129994.6 136583.25 101006.6 33314.44 28128.16 24738.56 3673.75 3352.24 3518.9 6026.38 6004.3 5158.65 156426.39 158274.48 227992.42 934.01 981.81 913.49 1097.49 954.79 598.21 Phosphoenolpyruvic acid_C12 PARENT 14947.97 4705.27 8648.13 513.88 2326.49 412.39 2023.34 1575.16 2922.67 588.85 494.68 387.16 1448.84 996.82 1005.77 466.03 576.84 1110.89 1504.71 1007.17 2583.7 922.69 654.91 1392.37 450.22 840.13 1323.32 Phosphoenolpyruvic acid_C13-label-2 89504.68 35825.81 56469.47 240137.77 419975.62 133216.59 159828.5 174569.75 196540.67 130588.68 48970.55 65821.51 252230.7 220180.06 179329.45 206713.3 211017.08 343339.25 215221.67 205898.52 353367.53 107483.46 285478.53 232608.12 19911.01 68330.75 79597.97 Phosphoenolpyruvic acid_C13-label-3 1922.56 0 1320.56 57870.37 61095.32 19736.3 52700.28 56945.43 108772.25 64758.86 11497.79 37886.43 166596.17 133328.08 90332.52 70855.45 106656.6 267808.97 84158.64 115924.1 182666.3 123485.98 137456.31 149291.36 18801.83 76212.69 156044.12 Proline_C12 PARENT 7354266 7955942 9212053 8969923 11076765 9934768 6022516 6062160 4229184.5 3732606 3537873.25 2943701 3925766.75 3839064 3195285.75 3822720 3615051.25 4120085.25 4264613.5 5700645.5 6002819.5 1535434.62 3278778.75 2435317 1286138.38 1717877.88 1792806 Proline_C13-label-1 411525.66 437027.59 515615.78 564100.94 735471.56 594947.69 392683.75 388486 282006.12 183221.8 171920.14 150049.8 200595.58 183443.8 168080.39 203180.55 193443.08 208409.86 291620.72 328377.78 375644.5 59357.94 174035.06 107916.85 47172.96 69623.48 79896.94 Proline_C13-label-2 6366.13 7756.25 7975.36 2521820.75 3087598.75 2731192.25 1667392.62 1654597 1119432.62 348323.84 293783.47 263848.53 16804.93 17858.42 13466.43 19207.84 20350.72 19051.23 1226100 1660204.62 1673468.12 7307.87 15088.08 11646.29 5527.76 6139.43 6868.99 Proline_C13-label-3 538.59 372.95 669.14 666697.06 837456.5 756628.06 447635.91 445453.5 314729.62 25027.04 23760.73 17124.13 860 1743.94 1049.62 1983.61 1557.84 1621.73 316582.16 437814.66 469744.38 1395.12 1092.7 1208.17 1333.55 1104.52 1528.75 Proline_C13-label-4 482.85 834.78 427.07 891120.69 1119413.5 1034666.81 590002.25 590467.56 406697.72 148848.16 133861.2 120370.38 3385.35 2664.79 1684.35 4590.4 4745.14 5151.22 459414.78 584271.44 628261.31 1878.08 2298.74 1758.41 2239.35 1477.61 2199 Proline_C13-label-5 372.52 520.08 461.28 399687.34 513126.59 465251.62 316713.78 319186.03 211819.7 39735.82 33201.62 31682.5 783.32 2043.27 1054.21 2038.72 2397.02 3119.47 211041.33 292436.94 311006.16 411.25 1217.8 1356.37 970.64 567.33 1274.17 Ribose 5-phosphate_C12 PARENT 13974.01 10613.25 10132.43 0 908.26 408.77 373.14 390.82 348 315.26 602.22 350.23 0 0 0 0 0 1275.56 425.25 538.92 0 382.15 493.9 0 0 350.69 299.14 Ribose 5-phosphate_C13-label-1 1255.87 529.79 849.37 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Ribose 5-phosphate_C13-label-2 0 0 0 711.96 562.77 0 0 0 336.87 331.9 0 0 0 0 0 0 0 382.91 308.37 1045.63 1132.82 920.97 1213.34 762.4 484.05 959.57 1024.07 Ribose 5-phosphate_C13-label-3 0 0 0 0 957.61 406.56 348.62 0 0 662.17 394.12 511 353.76 515.55 423.04 407.24 387.08 1519.58 1100.97 531.24 897.92 2473.01 2358.36 4162.79 1533.98 1918.66 2917.23 Ribose 5-phosphate_C13-label-4 0 0 0 363.65 349.82 409.33 0 0 0 324.85 0 422.09 0 0 0 0 0 537.48 0 406.68 906.51 655.84 941.33 1696.01 387.27 576.65 834.46 Ribose 5-phosphate_C13-label-5 0 0 0 28573.6 52441.64 31601.3 7202.34 9943.46 17203.67 27770.16 15218.06 31715.65 5054.69 5993.77 8785.35 24621.43 28675.58 52820.98 40401.62 45367.83 50046.94 63329.52 63999.26 65279.89 35733.84 57332.83 70464.88 Taurine_C12 PARENT 4611134 4414690.5 4753694 2933972 2965626.75 2862863.25 1870596.12 1868106.88 1668393.62 3201557.25 3177582 2473363.25 1899365.38 1926670 1586542.62 1035285.75 911507.69 1027787 1697521.12 1733865.62 2078068 761863.69 1123181.38 1005391.69 482960.59 582509.69 620566.25 Taurine_C13-label-1 50560.95 52827.81 68427.05 35613.66 34475.45 30936.13 18665.25 15639.41 12212.7 30151.19 27703.86 21686.42 16221.15 12394.72 16452.02 8627.48 6911.72 7531.57 11500.57 16495.22 17660.06 5867.7 8391.84 6511.47 3973.82 4827.73 5085.4 Threonine_C12 PARENT 7207644.5 7685825.5 8478699 9847667 10756992 10570647 8676571 8622541 7797645.5 9317943 9326467 9245863 9354269 8951247 8350230 9346887 9579375 9918259 7777262.5 8300248 9092647 6816883.5 9407550 8494031 6762824 7672215.5 7845416 Threonine_C13-label-1 327020.91 340508.25 366346.97 444464.59 489957.09 461905.62 377405.34 398416.66 361621.84 380770.66 409568.59 412653.62 432889.72 403971.88 371144.84 397737.59 418043.41 455912.41 339766.66 366245.66 413633.66 293777.34 422139.16 377153.47 300811.47 329474.88 343510.41 Threonine_C13-label-2 2173.6 2359.44 2622.54 3215.16 2934.22 2870.64 1872.55 3241.36 2068.4 1844.83 2853.45 3718.26 2477.61 1887.7 2486.45 2107.84 2985.63 2302.45 2078.3 2493.24 1259.4 2438.74 2484.12 3529.84 1763.98 2015.19 2804.02 Uridine_C12 PARENT 511369.12 307723.5 303542.19 357379.25 418171.97 293330.97 825550.81 747990.31 528713.31 262212.16 607879 368717.34 534201.94 229821.98 435724.12 547907.44 158382.56 421431.16 329629.84 252334.61 315320.53 440242 420772.88 363328 252722.02 587670.06 488707.41 Uridine_C13-label-1 26525.97 13597.82 18121.08 15558.78 19029.88 8184.13 41460.4 34871.76 27765.81 14923.16 23626.65 15568.71 23799.1 10762.98 23009.47 28362.29 9080.58 16917.72 14879 10853.29 11682.92 23542.66 22019.11 14373.89 13173.45 24400.2 28278.91 Valine_C12 PARENT 6786610.5 6996260 7317106.5 6780690 7990888 6946209.5 7072708 6571835.5 5598333.5 7374014.5 6946515.5 6057549.5 6273378 6291377.5 5660076 7192942 6275251.5 6817524 5968961.5 6089988 6036069.5 4658336 6363521.5 6071447.5 5465788 5920658 5944035.5 Valine_C13-label-1 372604.88 388285.25 391147 365602.59 440990.5 387898.66 385541.22 364288.84 289674.53 413802.28 391993.47 342334.22 342475.19 361909.34 313619.03 384722.5 335446.88 381841 322748.41 337129.47 321417.62 255153.2 341038.03 327750.97 335892.53 332881.31 313890.09 Valine_C13-label-2 5509.82 5170.45 4267.94 2907 3499.4 3832.68 3130.44 2819.36 3953.02 4632.32 5639.89 2891.59 3442.47 3001.81 2956.58 3668.1 3150.7 3619.6 3982.96 2359.91 3545.53 2616.09 3565.38 3845.27 4175.72 3333.57 3141.93 Valine_C13-label-5 2726.33 2194.3 3064.73 1196.09 4223.3 1246.36 3561.99 3686.39 4121.09 3864.96 3209.96 3056.27 3117.78 3104.6 2253.3 3480.85 2722.12 3358.48 4055.78 2860.92 3714.9 4305.79 3144.54 3722.34 3752.7 3859.45 4353.29 cis-Aconitic acid_C12 PARENT 698771.75 608368.62 746585.25 122552.28 156348.8 102549.34 55599.72 78633.09 63514.02 37319.2 22421.97 28887.3 50509.3 60787.01 56885.85 62479.52 57418.28 92605.5 127578.69 119995.68 175761.75 44236 86939.59 72386.26 40660.7 48244.58 68291.23 cis-Aconitic acid_C13-label-1 25751.64 24522.15 33113.18 11908.54 15430.46 10538.23 5883.17 7446.14 5882.11 3376.69 1964.17 666.5 2129.95 4273.82 2476.5 2604.03 3265.31 4699.78 12749.51 12607.56 17288.51 2624.19 4296.5 2737.81 1401 2446.35 2705.47 cis-Aconitic acid_C13-label-2 1189.01 468.02 386.6 475573.88 517595.41 398533.34 193612.17 249882.44 219413.23 81568.04 40688.49 58144.59 13078.69 11475.77 7183.42 20850.29 14637.7 30066.29 494481.88 474763.16 636035.19 20169.86 58514.81 47983.66 13457.49 20582.67 19352.54 cis-Aconitic acid_C13-label-3 149.52 0 0 63121.91 66245.27 49596.34 23897.38 32547.05 25300.14 8801.41 5444.5 7177.78 3592.03 2420.84 1180.95 5396.27 4571.27 5947.23 66773.35 60907.29 92240.22 6675.19 8163.91 4920.62 4732.41 7859.1 8999.51 cis-Aconitic acid_C13-label-4 0 0 0 201123.81 206292.8 152025.67 56209.87 72386.94 62442.25 10215.26 5601.12 8048.15 0 0 0 533.05 451.05 1105.88 171053.14 182909.33 252659.5 813.1 729.85 1172.44 734.2 498.26 343.78 cis-Aconitic acid_C13-label-5 0 0 363.41 131280.86 145903.67 122567.29 48885.67 64165.27 50419.96 27432.89 14025.05 26966.35 2710.22 2086.37 2491.55 5878.9 6229.39 8163.93 135233.73 126030.77 190166.08 5200.35 6441.67 5711.39 4040.72 5372.37 6294.66 cis-Aconitic acid_C13-label-6 0 0 0 33026.51 34920.4 28920.22 9868.2 18964.42 13940.38 3713.3 1878.4 4118.28 0 0 0 0 0 343.85 34761.84 33498.46 48495.53 0 0 0 0 0 0 3-Phosphoglyceric acid_C12 PARENT 117776.71 40541.23 58423.26 3471.44 5777.62 574.11 2301.12 2401.61 5277.74 4527.78 905.99 3744.24 598.44 946.33 611.21 0 426.7 1183.92 3863.59 4636.36 9787.25 2193.99 3168.76 2767.63 0 1455.2 2330.72 Asparagine_C12 PARENT 635647.31 639622.44 732891.69 433710.38 528543.88 541012.75 247886.67 254353.38 203711.08 9968.45 11302.02 13344.09 249218.83 240707.12 214495.05 246339.45 238720.75 248364.52 270126.09 287538.41 363414.91 394207.41 668522.19 573848.5 234363.17 311949.66 301112.59 Asparagine_C13-label-1 10661.3 11257.91 12717.13 15533.8 17849.82 16915.14 6352.49 7070.73 8557.27 2011.38 3489.67 3443.12 4891.44 4767.25 3452.64 3928.83 4423.17 5763.01 11281.83 10402.67 14300.68 7944.67 12505.57 12298.18 4373.3 4911.52 6718.19 Asparagine_C13-label-2 960.24 436.21 463.21 108776.23 128493.97 139215.89 35108.69 47277.01 29056.7 1774.27 1528.98 866.86 938.93 1883.5 573.28 1592.87 1811.85 2256.73 59840 60389.83 80985.09 656.36 3519.27 2276.85 1537.83 1095.45 2148.62 Asparagine_C13-label-3 0 0 0 75446.34 81341.08 80267.26 38322.07 38568.58 24906.47 4371 4511.57 3573.65 37760.03 39508.4 34234.73 50379.61 64268.06 67803.65 39000.59 41339.49 60058.36 53874.68 81778.97 72365.49 40393.39 52897.91 67709.71 Asparagine_C13-label-4 0 0 0 14236.72 21655.73 17930.05 7955.1 12570.65 7538.46 0 0 0 0 353.01 0 366.24 361.83 0 13812.27 11752.15 16760.2 479.2 377.94 416.23 378.68 0 329.38 Aspartic acid_C12 PARENT 2510386.75 2489893.25 2384288.25 1399920.38 1328602 1692411.62 2257844.25 1955609.62 1910010 397933.59 565680.44 295742.62 338976.47 331207.59 339673.72 363590.5 375925 290190.62 1195817.12 1028667.94 1195964.5 886117.56 549908.69 612384.81 971222.31 847464.44 646612.19 Aspartic acid_C13-label-1 72618.26 75754.48 72637.48 103012.94 102400.12 134203.42 203277.64 156718.02 151629.45 9799.13 11532.25 8012.93 4485.09 7556.12 8176.12 6565.87 7095.81 6586.91 77313.31 67690.59 75986.5 21637.57 11568.96 9095.63 20494.26 15391.21 10333.41 Aspartic acid_C13-label-2 696.7 1377.22 604.51 525101.75 501034.59 667970.69 775469.31 649960.44 646087.19 16344.33 31416.97 12573.41 1864.59 2335.57 2675.35 4864.92 4061.81 3637.5 418648.5 363303.66 425710.62 6274.63 3379.45 4313.12 6686.65 6424.24 5445.88 Aspartic acid_C13-label-3 0 150.19 0 396334.16 366572.47 498460.66 713931.5 595304.06 552886.56 108447.15 163251.05 75748.7 31990.6 37162.52 49883.92 64335.93 102515.88 76043.41 330989.09 280663.88 338858.47 172610.62 38664.79 66252.13 278192.19 205016.81 147394.91 Aspartic acid_C13-label-4 0 0 352.17 122406.21 127541.09 189533.89 245194.36 220553.17 186531.73 7211.46 14442.08 7871.48 0 0 0 0 960.86 926.21 115053.31 92118.23 112242.29 843.14 0 567.86 1862.03 2226.32 1134.31 Citric acid_C12 PARENT 3812037.25 2995113.25 3426953.25 606366.81 732139.5 534369.81 624743.88 636911.81 740182 346282.5 343882.59 289653.09 911882.44 752483 680667.25 767475 794014.69 983948.31 478901.25 393488.34 638387.75 576090.19 759774.69 751069 389693.66 582690.06 664590.5 Citric acid_C13-label-1 248012.58 186481.55 236227.17 74044.87 86647.41 66836.54 69063.32 73783.25 79007.99 18160.17 17410.04 16098.35 45592.32 35685.06 31413.84 29828.12 38380.51 52112.41 43472.48 41121.25 67426.57 27742.15 36584.62 37874.3 16915.34 26054.08 31339.4 Citric acid_C13-label-2 30947.97 26387.42 49945 1981515.38 2148852.75 1732633.38 1569324.88 1672434 1857963.62 676463.31 632888.06 616216.56 513051.53 353164.66 304053.47 426552.38 428763.5 531135.06 1389335.5 1324771 1953785 386380.78 563531.44 575299.06 185295.27 273116.62 337658.84 Citric acid_C13-label-3 4944.58 4511.23 8105.36 323189.09 349462.62 292565.47 311338.78 316289.38 342431.75 100454.34 68298.27 70481.43 116017.85 61463.96 54005.55 100625.16 99669.4 127862.74 215043.08 212216.19 333066.59 61983.02 67395.74 99701.45 39943.04 84238.04 98958.91 Citric acid_C13-label-4 7659.31 7898.85 16409.38 795932.44 876693.69 713154.31 566440.38 622757.56 669056.94 94273.16 117367.94 84203.45 19805.24 17830.18 21579.73 37777.53 40768.29 59512.94 524856.44 520384.22 804374 41677.51 18492.48 55357.85 20623.75 16281.71 22373.2 Citric acid_C13-label-5 8417.61 7645.25 11178.71 584158.69 630242.81 541711 523956.47 524631.94 598494.94 289184.09 254706.77 294436.56 101448.71 68611.16 57579.78 121838.45 128482.62 177185.89 375326.53 390756 630057.94 73874.82 63911.77 105215.43 41217.57 58298.58 78342.41 Citric acid_C13-label-6 2259.69 2052.04 4868.32 211905.92 225266.83 178768.73 153062.7 177124.77 173807.58 29533.93 28357.91 25930.56 4952.83 3717.91 5703.15 6894.36 9015.91 12298.67 110270.73 124283.59 210761.2 8155.09 3923.76 11864.55 3758.84 3995.13 5727.05 Cysteic acid_C12 PARENT 8630.59 10651.68 8886.27 21005.7 15511.9 17448.07 22849.06 23260.98 39675.75 15867.4 12214.41 10809.9 1866.85 3448.17 1827.19 5174.41 7743.71 5481.98 16297.69 15383.7 20591.16 18550.9 13079.61 18804.39 7955.68 11142.67 11079.18 Dodecanoic acid_C12 PARENT 41992.08 30345.65 28774.13 18609.12 32297.12 15309.14 39742.92 14884.28 20587.04 23888.47 23362.52 26164.79 32316.92 9370.36 21731.76 58234.04 28744.51 35615.67 14477.78 27588.44 40279.78 27496.09 32099.11 41379.94 22353.39 18045.08 27947.07 Dodecanoic acid_C13-label-1 3861.48 2700.94 2803.03 1803.8 3534.84 1852.07 3984.99 2180.87 2696.42 3409.72 2902.33 3437.32 4405.13 947.73 2280.76 5811.29 2910.57 3758.75 2616.91 3543.49 4633.96 4476.68 3407.58 4818.62 3487.67 1878.2 3281.83 Glycerol 3-phosphate_C12 PARENT 321012.47 267669.47 281749.59 35296.52 32354.54 26337.68 26818.39 19112.16 34479.55 44612.97 27043.64 48211.67 570974.5 423631.97 199829.58 245987.44 207385.94 189954.94 21299.68 21837.71 31318.77 174621.62 260307.36 294599.84 138116.5 298245.41 419507.16 Glycerol 3-phosphate_C13-label-1 5733.42 6879.65 3446.41 721.96 404.6 729.61 688.84 0 1300.22 712.47 586.04 1389.35 13823.06 8954.74 3503.88 7989.09 5002.83 4861.41 462.79 593.68 768.09 4376.98 4954.21 5643.45 2730.26 6112.64 6404.61 Glycerol 3-phosphate_C13-label-2 0 0 0 674.87 736.39 516.58 0 0 0 546.02 432.83 1041.04 13410.59 15046.97 13144.65 8055.5 11672.89 12436.06 0 367.53 729.57 6916.44 16074.37 10262.06 1475.58 5155.43 4960.51 Glycerol 3-phosphate_C13-label-3 4007.79 9704.94 6568.71 253950.98 300652.66 201438.05 38756.06 37171.64 38761.46 261560.75 226860.39 210233.83 2543876.75 2463573.75 1835451.62 1750531.62 1867685.88 2176801.75 127230.19 157380.62 234112.52 1099100 2476048.75 1654366.5 420110.09 824483.56 964402.31 Isoleucine_C12 PARENT 6691956.5 6763336.5 7458426.5 6703730.5 7627170.5 6976666 7188576 6814534 5550444 7189386 6782414 6129125.5 6135111.5 6087386.5 5519644 6777660 6317658.5 6418560 5799372 5672041.5 5477851.5 5070006.5 6538949.5 6416477.5 6423658 6253598.5 6426702.5 Isoleucine_C13-label-1 423157.62 447988 493075.38 447838.16 517206.66 463134.03 498628.66 447245.47 357335.91 475453.84 450738.84 399433.09 384325.59 419119.78 373740.47 457268.66 426258 431349.66 386675.91 390942.91 359385.25 335324.5 425483 418755.25 418780.34 430751.53 428209.53 Malic acid_C12 PARENT 13865699 13547480 13795481 13219272 16352933 13646489 10737456 11089023 9628777 3746128.75 3262420.75 2908713.25 11150471 11455037 9983657 9275576 8717092 8843349 9790500 8841283 13422456 6510854.5 10475358 8165392.5 4696112.5 6285102.5 6395841.5 Malic acid_C13-label-1 621641.94 671545.94 657522.5 1274946.62 1585006.62 1288512.88 1060284.5 1075148.75 886004.06 176933.92 165103.97 130012.27 522127.16 519741.97 469696.47 412031.97 400638.75 423498.5 889036.56 831683.69 1272823.38 284824.75 497648.47 376917.16 180411 278383.78 288163.91 Malic acid_C13-label-2 5565.81 5803.01 7190.1 5462962.5 6605120.5 5902682.5 3910479.75 3976971.75 3485668 472143.03 428185.66 363700.62 156583 163101.36 140357.06 255642.14 230138.33 200060.58 3754082.25 3606699.75 5329774 74453.12 118870.27 86610.75 57520.82 81561.29 96991.9 Malic acid_C13-label-3 3857.56 3108.01 3428.32 4362378.5 5147257.5 4629865.5 3606441.75 3763916.75 3238900.75 1538345 1387638 1297067.5 2738969.75 2846498.25 2791065.25 3150580.75 3383128 3533399.75 3112166.75 2969890.25 4348652 1362964.88 1453061.62 1283567 1478947.88 1799210.38 1894316.38 Malic acid_C13-label-4 435.39 449.86 696.82 1651103 2121333.25 1896044.88 1397044.12 1493482.12 1173785.12 240711.2 201006.06 180478.12 22121.02 22965.92 20622.84 26240.02 24143.55 27349.31 1298624.62 1173197.62 1727804.38 15247.73 21618.6 18121.61 14853.97 18292.13 19872.69 N-Acetylglutamine_C12 PARENT 239717 215522.33 252175.25 98278.07 103863.3 84471.68 69013.98 73130.24 77253.86 76366.99 63473.03 64448.71 71131.23 69951.83 70197.75 55330.12 77679.71 63182.23 60641.47 62006.44 91268.59 64647.29 75535.95 74505.1 51035.14 73813.19 69270.61 N-Acetylglutamine_C13-label-1 9308.22 9892.03 10587.41 4199.02 5588.59 4679.78 5531.2 3568.54 4043.99 2857.71 4874.22 3219.44 3484.44 2914.04 3601.09 3021.17 2599.94 2968.68 3988.03 6824.7 5165.57 2851.41 3675.47 3170.83 3154.59 3760.52 3640.83 N-Acetylglutamine_C13-label-2 0 414.32 0 111391.81 130532.06 111264.73 80159.32 81535.95 78033.96 70170.62 56976.96 59119.99 9824.05 10159.78 10963.38 8225.09 12726.68 11235.69 73786.96 74823.65 108746.31 11856.44 17212.76 17185.62 9195.76 14060.29 13151.29 N-Acetylglutamine_C13-label-3 0 0 0 3948.09 3591.41 3320.52 3293.42 4055.32 2732.09 3541.27 3178.02 2239.78 397.22 991.94 334.08 361.53 328.98 518.76 3412.49 2217.29 3270.72 766.34 481.98 0 325.71 670.4 670.73 Oxalic acid_C12 PARENT 93684.12 50155.63 34694.48 42006.44 51902.55 16087.62 124514.41 177913.08 231072.3 192614.31 101570.79 59153.25 223097.38 239515.55 45870.52 174817.92 181379.62 166080.08 33985.87 34885.72 74953.16 237213.44 127076.24 194752.5 158851.5 378560.72 260730.92 Oxalic acid_C13-label-1 1583.82 0 375.55 532.3 0 0 1463.65 1280.74 2589.86 1660.02 506.49 413.74 2846.21 2079.96 362.21 1740.53 1084.4 1703.03 343.1 384.39 323.18 2091.96 905.26 2048.88 2248.9 4041.21 3243.12 Serine_C12 PARENT 942635.69 944507.75 991878.31 501314.47 505828.88 442961.38 767926.25 725352.06 852547.75 618497 592948.12 542405.81 1114621 1104354.88 1088566.38 1111525.88 1139138.88 1126294.5 647321.62 564710.12 683526.44 1169889.88 1122419.75 1267583.62 1216161.12 1276782.62 1323031.38 Serine_C13-label-1 14507.17 14169.37 13165.14 237949.23 272009.19 238631.55 255051.5 234588.38 229221.58 329643.16 307249.78 245111.31 732006.31 672289.81 601509.56 827962.94 759173.94 814102.94 194647.25 174870.67 238375.11 400747.34 647546.25 597367.94 314288.06 460594.34 501171.72 Serine_C13-label-2 759.13 331.33 510.09 60908.26 78033.05 60818.18 95354.62 81108.93 101521.66 106170.85 102846.46 71004.18 329909.38 323660.56 304609.28 383648.34 376235.97 393817.59 65494 58752.11 92875.65 193121.25 317243.94 280729.12 150523.11 231300.64 212130.86 Serine_C13-label-3 552.14 398.37 539.11 419441.75 488720.03 425295.16 442714.22 436697.16 414338.22 619244.56 585138.94 508057.59 675259.81 652163.81 638965.38 756759.94 728087 756082.75 393467.59 343687.59 441094.72 624448.19 781421.5 765182.94 501659.91 600123.5 607487.31 Succinic acid_C12 PARENT 1099477.25 1244767.88 1085417.38 475274.34 573299.25 467292.91 1758630.5 1780527 1337700.88 53177004 44118792 44155304 13502711 13569165 13606668 12307105 11704496 12709608 373863.09 323015.91 352681.78 8136920.5 11109269 9784768 9828295 10924508 11073460 Succinic acid_C13-label-1 22976.55 25969.52 23416.16 15555.79 26728.26 16805.84 141358.78 139522.66 99297.46 2625815 2383940 2121506.25 611049 636957 628341.5 568102.56 547447.5 585926.56 13922.86 10834.24 10325.7 351150.5 514502.38 439065.91 408399.75 479315.25 525134.25 Succinic acid_C13-label-2 2046.44 1965.51 2310.55 187447.89 207925.56 161622.08 659212.94 675086.56 481457.25 9179548 7770760 7705252 124340.45 126702.73 129052.19 181351.89 149179.83 167686.45 114137.91 103989.72 104607.62 48613.22 108261.16 62312.45 60723.39 68487.23 81945.53 Succinic acid_C13-label-3 759.09 382.02 500.22 62599.69 92066.45 62504.86 279966.91 304045.59 199446.67 1316236.62 1101565.5 1037345.81 536857.25 542869 537908.94 336721.59 319080.03 319214.81 34837.59 24849.88 28657.67 93744.84 207283.67 156175.14 28398.53 42004.86 48260.24 Succinic acid_C13-label-4 892.36 2296.97 1662.88 31260.13 35465.07 29077.78 202807.77 250403.06 173260.64 6158946.5 5828320.5 5287436.5 25148.1 25598.04 25623.4 58977.17 53342.33 62592.69 18333.94 19220.88 14265.86 13152.71 16557.66 15117.01 15653.12 18694.07 20870.77 Tyrosine_C12 PARENT 2651330.75 2282828.25 2571390.75 2553457 2919452.75 2612906 2478579.75 2307233.25 1820191.12 2447048.75 2268621.25 1842205.38 2040495.62 2108488 1770551.5 2188726.75 2309549.25 2289162 1895403.62 1878420.88 1999935 1876958.5 2311974 2068881.38 1982260.5 2202171 2198036.75 Tyrosine_C13-label-1 258289.77 230251.38 250690.92 246558.12 268753.03 255398 245673.42 221101.17 175243.81 228783.25 215290.06 169636.02 199449.2 202411.67 164784.77 213477.5 219528.17 220987.11 178118.86 176189.27 188137.42 183862.73 218410.83 193485.55 178762.36 210983.88 216323.86 Tyrosine_C13-label-2 5488.4 5791 5753.86 5433.63 6079.5 5735.09 4995.77 4778.72 3451 6030.03 4362.84 4443.18 4258.05 5296.95 3454.44 4944.76 3563.3 4941.79 4236.05 4498.22 4780.68 3364.06 6811.78 4965.09 4938.46 5822.77 4808.52 Alanine_C12 PARENT 3263615 3346550.75 4085646.25 966941.44 1081495.62 1113856.5 733525 746567.31 672713.44 1247650.88 1180416 934216.25 1363248.38 1261962.38 825030.75 1035410.75 772039.75 889510.81 842804.44 810835.94 1140111.88 828292.75 1118907.62 1058750.5 630946.94 828085.31 901570.25 Alanine_C13-label-1 61761.58 73325.15 94908.16 14381.8 20005.79 18845.85 15019.39 17065.4 15096.91 15959.05 13326.71 12937.21 20991.82 18605.29 11614.96 11779.52 10738.87 9906.14 10600.18 10712.82 17911.7 14425.61 18318.51 15047.36 7549.43 10630.89 11897.04 Alanine_C13-label-2 409.92 553.55 444.26 23879.02 32242.44 34142.36 26095.26 28996.92 17492.28 11714.96 12097.91 13891.98 15741.56 16057.15 12824.2 22171.98 17758.29 25601.44 14930.98 20689.5 15449.17 11123.45 23594.41 18537.91 10845.93 12865.12 14243.75 Alanine_C13-label-3 2744.12 3274.91 10097.57 3863189 4289081.5 4705407.5 3436672.75 3553351.75 2946301 2732801.5 2397420.25 2742804.25 3632414 3729089.25 3432489 4335765.5 3937939.75 4537237.5 2287609.25 2605257.25 2970630 2305722 4088910 3351785.25 2304929.75 2962898.75 2970965.25 Aminoadipic acid_C12 PARENT 31362.22 27702.49 29624.03 11352.05 13669.17 9116.24 5480.01 4297.76 5265.64 17890.99 16167.68 16737.9 51015.05 54755.59 50080.43 21218.04 23540.56 30974.66 5084.02 5754.26 7482.29 9868.89 14101.42 12375.49 3192.66 4779.03 9053.25 Maleic acid_C12 PARENT 38173.3 49370.64 33044.13 40691.38 46628.36 39406.14 53080.28 42827.96 42739.5 47112.42 39987.98 39913.87 48437.77 38065.33 41617.37 49655.43 46907.26 32324.25 23874.74 32396.61 45188.71 25702.13 43027.16 50797 29883.43 43753.85 42250.16 Maleic acid_C13-label-1 367.13 904.62 561.13 442.47 1273.84 1035.32 1570.58 1821.83 1854.91 1909.96 1233.2 587.48 898.8 539.5 415.84 1149.12 556.63 759.01 478.15 755.07 1556.24 351.93 561.74 1368.91 553.17 1465.76 843.97 Phosphoserine_C12 PARENT 3468.24 1223.39 1538.37 1340.09 3058.78 1040.41 2876.8 4257.07 7564.21 1744.43 1451.46 3559.32 1966.6 1671.89 3088.27 1249.06 3307.82 4301.84 4963.87 1947.14 5129 16385.75 3013.04 9789.82 10532.72 13356.99 12302.27 Phosphoserine_C13-label-1 0 0 0 865.58 1071.72 601.52 1480.8 726.52 1210.75 683.75 1054.38 1659.22 1459.2 1092.96 1711.82 746.65 2098.23 2715.33 944.74 1696.59 1205.79 3946.76 1156.64 3330.49 4095.92 3057.84 3313.11 Phosphoserine_C13-label-2 0 0 0 757.35 964.34 609.33 0 411.12 1290.28 0 305.65 360.97 0 368.46 439.42 436.91 518.03 852.91 0 726.55 357.15 4210.75 555.05 1032.77 980.92 1992.44 2575.13 Phosphoserine_C13-label-3 0 0 0 4400.36 2083.14 1888.37 3680.79 4258.29 6713.75 3933.11 1753.34 4474.67 1567.81 2019.36 996.93 1347.44 1888.22 2029.55 2822.71 3338.56 2658.52 8664.18 2494.99 4620.03 10019.63 8779.56 8784.9 Pyruvic acid_C12 PARENT 352865.03 38039.11 175476.48 3668.4 9117.87 21669.92 78113.1 14948.71 20328.73 11267.29 21734.73 16693.42 36990.97 12636.06 30143.27 96831.93 15155.04 39691.23 13644.69 12627.94 36114.48 28769.69 30396.16 20988.33 33992.18 13805.91 38868.11 Pyruvic acid_C13-label-1 5354.32 1159.97 2178.73 328.44 427.09 1958.37 3280.99 601.22 1412.03 516.71 538.05 983.5 1428.76 477.43 883.1 4380.03 1016.36 1946.1 1292.57 977.3 1581.37 1379.04 1024.67 1618.78 1410.82 1039.45 1333.33 Pyruvic acid_C13-label-2 308.73 320.57 319.06 1089.53 2009.51 2144.04 5504.23 2655.83 2267.1 1205.99 2442.21 1983.37 3455.91 2230.72 4158.27 6495.93 2291.81 1888.98 2522.53 3030.34 4847.55 3770.16 5273.82 5577.59 4672.7 2881.32 6368.6 Pyruvic acid_C13-label-3 1992.48 450.47 2550.14 99582.47 174390.69 279187.38 792516 219078.8 253574.02 236103.89 410778.97 403380.75 778249.56 366026.75 591701.62 1384459.38 390684.78 683839.69 334962.47 343373.84 710390.31 877749 1176666.5 791726.81 698785.5 701352.81 1051158.38 Ribitol_C12 PARENT 99104.3 87998.41 103764.02 5803.17 7045.63 5971.09 5036.19 4552.12 4470.78 7237.67 6429.01 8351.83 5882.66 5372.86 4123.95 5876.43 5243.8 7010.98 4368.49 4293.2 4428.1 2868.3 3906.8 3560.39 2035.72 2916.75 2796.24 Ribitol_C13-label-1 2751.59 2512.71 3267.19 0 0 0 0 353.81 0 0 419.76 0 0 0 0 630.15 0 360.21 0 0 342.14 0 0 0 0 0 371.71 Ribitol_C13-label-3 0 0 0 903.74 636.63 341.04 450.38 305.9 0 2268.5 2611.77 1949.47 2218.76 2222.64 654.98 2119.75 2965.52 2404.15 358.8 403.99 296.19 0 1085.87 815.79 0 421.44 596.02 Ribitol_C13-label-4 0 307.45 0 526.95 372.23 484.3 539.64 0 0 901.7 1060.51 1095.06 1044.92 799.23 327.81 304.99 374.2 1112.4 0 654.93 669.3 0 314.59 0 0 0 0 Ribitol_C13-label-5 0 0 0 62065.46 64392.09 62937.02 37244.79 41499.36 32139.71 81947.16 90997.85 63889.95 54538.79 42566.44 41616.37 46899.33 58403.54 57958.76 27365.16 32854.25 40976.98 18445.69 31009.53 19557.06 12238.32 16486.97 17840.16 Sorbitol_C12 PARENT 429304.41 398073.09 408464.53 9585.96 9715.97 8250.51 11988.47 11490.7 7509.48 10860.99 8068.78 6005.08 8332.93 8631.03 6321.28 7017.64 5870.57 6089.31 5764.91 4627.75 6857.15 4591.56 6053.39 5657.75 20707.69 5844.3 6937.96 Sorbitol_C13-label-1 14238.34 14759.53 15392.78 465.62 366.12 405.79 381.6 1143.13 411.84 373.48 0 0 0 0 0 341.41 374.61 0 376.02 0 316.62 0 574.93 0 955.71 243.41 409.74 Sorbitol_C13-label-6 0 0 0 219094.25 256268.14 295095.59 94937.63 108737.6 102494.6 192667.06 170859.7 149977 170048.62 207898.08 147033.58 199987.64 199045.05 219658.48 59247.52 73707.84 123445.9 14374.22 37483.11 23669.01 22091.23 37428.81 40056.57 Tartaric acid_C12 PARENT 52457.39 35067.08 14979.95 32059.33 39805.78 8305.62 70096.41 125290.94 136914.61 88253.32 62429.53 53022.93 118156.3 105707.09 24300.33 78859.48 88735.84 79738.2 29368.02 31715.15 70278.57 61321.97 50227.47 73706.91 48553.32 129105.98 75800.14 Tartaric acid_C13-label-1 1395.3 401.03 0 733.57 1125.34 0 2418.97 1772.02 3485.53 2024.08 1754.38 1492.5 2457.21 2224.42 316.75 2426.19 1834.95 1851.44 398.78 867.77 1902.59 2239.27 1552.31 636.25 1321.13 2530.82 1827.45 Capric acid_C12 PARENT 44693.14 23780.97 27351.52 25984.7 24186.82 26059.6 43887.03 23091.56 23973.57 28509.02 31904.44 42276.44 22396.42 21957.44 37083.03 31144.83 23579.34 28252.1 29315.84 20775.38 50212.92 38642.8 33223.29 34192.55 26465.88 27259.15 37654.34 Capric acid_C13-label-1 3315.74 1882.36 2399.02 2800.44 1961.42 2579.88 3230.53 1667.76 3218.48 1608.65 2507.39 2305.23 2337.47 1713.19 3037.52 2314.39 1568.59 2514.09 2820.05 1434.36 4506.55 2759.06 3109.93 3022.66 2871.15 2244.73 2600.13 Caproic acid_C12 PARENT 228228.7 175878.08 215609.27 147807.08 153695.02 144442.34 254281.95 168935.62 171631.23 182462.06 235713.23 259077.48 168023.11 138551.7 164143.23 114744.56 156117.58 153789.89 137258.88 208227.55 308469.66 196940.89 181947.88 182020.69 194886.17 210257.42 265336.47 Caproic acid_C13-label-1 5962.5 5443.04 7329.54 5945.3 3757.74 4889.37 8861.36 5772.79 4512.04 6138.09 8742.1 7710.05 6277.17 3008.37 5595.81 4255.54 5205.37 5870.64 3861.95 5042.65 8188.92 6011.67 5813.34 5947.63 5917.67 7184.27 8500.4 Caprylic acid_C12 PARENT 151124.8 70857.04 121735.59 80475.19 72341.12 76898.59 146175.38 74094.1 55147.5 96347.25 91570.69 135698.36 101939.79 57615.92 108913 59559.75 77847.98 72796.97 60145.54 62472.61 204024.38 89932.34 83306.2 99987.46 67139.25 75641.91 117823.04 Caprylic acid_C13-label-1 7880.68 2899.85 4317.84 3906.34 3758.55 4240.93 6401.02 4101.56 2929 5230.27 6078.67 7133.16 6669.73 3687.2 5703.68 3552.19 4379.8 3979.5 4722.33 2302.19 8670.12 5192.41 4863.34 5420.44 3045.06 4144.2 6039.02 Glucose_C12 PARENT 972356.69 639466.69 535475.75 27947.33 28816.33 30125.78 29249.05 32923.58 46161.61 12595.81 14054.14 28304.54 31626.46 12394.7 14167.31 7031.75 29018.78 20029.33 73599.89 15442.07 14863.95 8534.64 8351.75 18657.42 135304.31 25262.21 10467.49 Glucose_C13-label-1 34037.73 19769.52 16666.9 15262.8 8198.15 11939.99 10432.13 11743.46 15677.76 1620.47 2473.69 2053.25 0 0 0 0 967.99 0 11937.44 8103.84 14487.48 1249.59 329.45 369.74 5565.11 1316.78 898.01 Isocitric acid_C12 PARENT 695669.69 289074.97 484569.75 145172.66 219594.95 40327.22 98637.9 95016.62 133251.64 21832.54 14828.51 10738.02 73564.89 88417.05 36126.36 83718.01 57601.06 187070.81 93602.09 99774.85 181818.08 29015.17 50244.54 52816.54 10927.11 30594.54 35903.79 Isocitric acid_C13-label-1 30674.96 10523.74 17873.08 12829.09 22132.39 5412.91 11567.84 11020.99 14014.97 1748.88 1125.55 1012.92 3367.2 3188.9 2587.12 2030.99 3139.92 6903.3 8267.9 10046.02 18502.94 1972.33 3052.48 2531.76 1246.09 1460.68 1682.35 Isocitric acid_C13-label-2 6838.98 4075.55 12230.38 481454.28 683143.5 199563.62 271339.12 267879.25 334996.09 34628.06 22500.63 21712.81 33873.25 32868.9 18033.67 44192.29 35467.01 114977.81 271565.53 385546.38 581428.5 16954.03 33801.45 43037.58 5152.01 10417.75 12884.19 Isocitric acid_C13-label-3 1132.24 356.79 2240.38 56445.69 93561.19 22492.68 38273 34286.57 42893.25 4380.6 2861.3 2461.32 4358.22 6426.07 2517.74 11615 7145.16 19818.92 32438.24 45079.54 76925.54 3405.62 4106.01 7630.98 1343 4135.05 4237.09 Isocitric acid_C13-label-4 1785.3 690.03 4224.35 182538.06 268708.53 53248.13 81406.13 78685.19 108836.12 5807.04 4518.52 4129.73 3185.18 1891.09 2204.06 6921.69 5175.8 15633.9 95739.71 125379.24 214347.3 3150.58 2031.59 6755.42 937.21 2382.12 2356.15 Isocitric acid_C13-label-5 1652.7 691.6 3706.75 115851.5 171935.23 47278.61 66267.35 66352.03 86392.19 13879.11 7346.66 6532.27 5887.01 8416.35 4047.89 13126.64 9482.87 29547.26 56590.06 88279.51 147518.77 4521.68 4209.75 8408.02 1422.77 3142.55 3894.77 Isocitric acid_C13-label-6 469.46 0 431.34 27559.14 40605.17 9066.21 14306.75 14774.27 20066.06 1160.83 1161.32 576.3 0 498.09 457.26 684.4 1253.15 2377.97 15732.72 22305.54 37596.04 631.39 0 1643.77 0 0 0 Pantothenic acid_C12 PARENT 7017540 3596898.75 6458906.5 3224450 3510658.75 6858574.5 5103895.5 2309799.75 4105990.75 2786518.75 5017075 5059978.5 5149730 2738510.25 4655178.5 4015742 2308732 4006022 3037358 3168717.75 6408032.5 3294405.25 5774877.5 4102478 1677424 1838369.5 3612188.75 Pantothenic acid_C13-label-1 730547.31 343353.97 636485.81 313248.84 338518.47 672237.5 490554.84 221697.17 377811.97 260962.61 475398.53 480894.25 480865.78 250001.44 429723.28 379383.41 215147.75 379917.62 286036.66 303960.16 591579.5 318389.47 544486 387792 150647.17 161780.47 340811.16 Pantothenic acid_C13-label-2 20309.32 12037.74 16775.57 8707.32 10298.54 19177.16 14192.57 7226.37 11442.42 7750.76 11095.78 12366.02 12066.05 7769.69 10940.48 10599.83 6827.42 13495.15 8245.36 8651.21 14838.9 8497.63 15779.43 9642.79 4948.76 5774.01 8697.75 Phenylalanine_C12 PARENT 5548956 5204782.5 5141721.5 5513940.5 6033473.5 5333214.5 5308501.5 4456608 4007114.75 2569008 4874664 4564309 4746329 2389381.25 4472773.5 5189510.5 2445503.5 5034634.5 4378083.5 2561449 4495698.5 3975368.25 5236232.5 4592554.5 2033621 4634792 4392648.5 Phenylalanine_C13-label-1 557205.75 525826.56 518629.38 526320.69 593681.94 534223.06 502808.59 433797.09 367747.62 247002.02 480952.28 444777.66 458315.62 217298.12 423797.75 515416.12 221020.8 480107.84 411110.66 236065.61 433412.97 368172.75 485642.91 460355.66 194552.89 442307.75 430842.91 Phenylalanine_C13-label-2 13849.61 13037.68 12685.03 14938.61 14336.64 12057.89 11576.05 11158.07 8818.32 8233.75 13363.5 10696.82 11501.79 5753.33 11426.03 12871.3 7029.92 14091.58 12162.79 7272.88 9771.89 8257.58 11562.73 10804.03 5624.45 12022.48 11860.26 Tryptophan_C12 PARENT 561056.19 526693.19 564316.06 519434.66 624549.56 550110 616135.06 499390.16 408820.88 497805.16 487996.41 375639.75 420501.38 412986.16 363658.53 485907.09 482225.16 452062.5 402083.38 377900.03 442254.53 396470.78 526769.94 466181.53 420438.59 546047.44 486262.75 Tryptophan_C13-label-1 48088.39 46188.88 48847.25 44976.79 53828.8 47545.61 52658.09 44193.41 33090.8 41978.57 39052.89 27127.27 33852.14 35162.02 27365.16 40222.79 39994.68 36442.74 31336.5 31236.03 39037.09 28556.48 40543.64 40973.34 32720.58 43412.48 42614.52 Tryptophan_C13-label-2 2614.03 1221.6 2220.66 1704.38 2668.64 1604.26 3248.99 1585.94 658.55 2136.21 1656.74 1133.21 1153.24 2209.61 1847.07 2009.3 1368.58 1739.5 882.63 1300.53 1638.42 527.75 1889.55 1614.91 640.32 2392.2 1474.42 Xanthine_C12 PARENT 199599.33 183339.86 197991 3980.07 9429.58 7041.74 5234.78 5493.18 4390.27 2974.15 3887.71 6808.85 3548.54 4181.95 7255.51 3659.17 4265.47 3557.88 1993.1 1820.73 3686.93 20804.53 4137.52 14725.33 10799.65 5996.18 3912.57 Xanthine_C13-label-1 5171.12 4708.46 5608.56 364.74 488.03 428.5 465.13 382.71 0 0 0 350.81 0 401.7 370.49 0 368.81 398.26 0 0 0 703.83 0 313.76 0 0 0 myo-Inositol_C12 PARENT 4206283.5 4306716.5 4730290.5 3756430 3949934.25 3351463.75 3067633.75 3279939.25 2995786.25 4022648 3811508.75 2707232.75 2517782.5 2394723.75 1695330 2320440.75 2069372.88 2080947.12 1829206.12 1662895.12 2789356.25 1601189.88 2104724.5 2160335.75 1129026.5 2007056 1925583.88 myo-Inositol_C13-label-1 278224.84 268499.03 317291.16 230393.08 262013.3 213482.06 191273.23 207667.7 193915.42 257063.62 258003.2 174323.61 143631.23 142371.52 75273.09 135566.94 113883.69 119414.96 109735.25 88960.16 182262.25 83976.9 118176.66 127144.21 51079.04 123092.04 98892.84 myo-Inositol_C13-label-2 4853.77 3312.93 3523.5 4571.29 3385.14 2742.92 1748.22 2628.63 2551.53 3209.04 4588.49 2883.43 2078.21 2330.37 1981.48 1839.87 1952.92 1732.6 1221.01 562.55 2563.53 1584.18 1268.17 1693.45 560.35 2259.14 1760.09 2-Hydroxy-3-methylbutyric acid_C12 PARENT 155769.77 80390.77 64076.82 36682.04 44981.15 50482.93 20939.9 10753.36 6633.62 31548.81 22958.34 23322.13 111565 88060.71 63860.21 62310.74 38025.86 30673.05 15827.91 21031.64 32846.48 11388.31 63569.48 24727.99 4657.49 10163.86 11894.25 2-Hydroxybutyric acid_C12 PARENT 184513.58 34965.11 112299.12 14477.77 19352.69 51098.57 61994.39 16281.91 22033.06 27561.83 55520.92 38955.37 71911.1 28992.15 43243.83 50293.8 11211.74 37463.75 10023.78 12369.32 26752.32 16505.24 39558.53 20776.95 7393.75 9660.19 19814.01 3-Methyl-2-oxovaleric acid_C12 PARENT 8589803 5357708 4014162 3629450.75 4311862.5 4898411 6302090.5 4569565.5 2817890.75 5135764.5 4440715 3884195 4580827.5 5129004.5 5098958.5 4836009.5 4251738.5 4107646 3495438 3106615.75 3442779.25 1976153.62 3109758.75 2232925.75 2701876.75 2734764.25 2133623 3-Methyl-2-oxovaleric acid_C13-label-1 603512.12 331724.91 250603.92 215075.14 275987.09 290171.5 437064.03 276194.25 180035.5 325493.12 295546.66 231195.8 302756.59 319070.28 346927.5 318461.78 262742.09 274256.5 223306.44 191476.11 210525.5 112537.66 194147.45 133080.86 160427.98 161414.86 128110.97 3-Methyl-2-oxovaleric acid_C13-label-2 9558.9 5100.61 3014.75 3059.24 4467.57 3946.87 5294.91 4250.4 2067.18 4751.49 4719.62 3880.56 3619.52 4773.14 4977.67 5121.88 4790.38 3399.18 2672.26 2400.56 3431.67 1741.14 2119.46 1528.57 2653.28 2666.54 1524.26 Methionine sulfoxide_C12 PARENT 10897.99 15681.44 14978.98 46327.86 53179.7 45036.44 30739.67 27227.38 27561.63 47512.13 31364.66 29757.58 29605.39 60555.52 28277.81 30005.78 31097.54 30269.92 24961.76 27905.82 36076.93 24603.17 33880.29 32869.77 19195.57 27760.72 29891.8 N-Acetylmethionine_C12 PARENT 2766974 1608141.5 1743963.62 440268.75 506003.91 705302.94 369352.5 288677.88 309868.03 373766.47 406834.66 463964.28 1048808.12 845262.19 996138.69 792399.5 589699.81 717073.75 374876.34 406919.09 615305.75 452592.34 770158.19 505078.25 421537 502115.84 592418.94 N-Acetylmethionine_C13-label-1 192776.86 105642.77 130662.59 32240.12 44379.18 59647.73 25537.83 18725.38 19895 23083.03 25018.15 29749.63 72325.71 45058 62284.08 42990.78 35063.31 41623.59 25972.28 31494.27 45962.58 22877.97 47362.86 28383.32 21846.46 25314.84 31842.05 N-Acetylmethionine_C13-label-2 4207.06 3477.72 3322.02 994432.94 1225406.12 1647413.5 667542.06 560084.12 556933.44 692809.44 779832.06 867914 296778.62 220888.08 266236 198382.67 146200.02 181144.12 770846.56 905353 1305509.62 113062.12 243721.12 144057.73 85833.67 105849.28 143384.27 N-Acetylmethionine_C13-label-3 0 0 0 39934.27 44976.63 71143.87 28164.87 21908.16 21185.33 26024.19 29291.02 34908.81 11075.21 11035 9220.57 7352.07 4367.28 6426.95 26610.99 37365.33 59886.58 3917.68 9140.55 5293.13 3243 3982.07 5538.82 N-Acetylmethionine_C13-label-4 351.44 0 0 5637.94 5727.24 9347.51 3383.63 2302.83 2186.08 2512.03 3640.96 4173.19 6189.28 5229.86 6217.57 2363.71 2804.54 4491.28 2814.08 4588.52 5040.25 434.13 2025.41 1344.87 780.22 755.7 874.58 N-Acetylmethionine_C13-label-5 0 0 0 927.46 676.34 1362.68 861.8 0 0 404.57 805.91 696.39 313.42 0 0 434.41 0 332.58 520.82 418.13 1289.85 0 0 0 0 0 0 N-Acetylmethionine_C13-label-6 0 0 0 16999.67 18058.03 31345.87 8856.12 6993.3 4766.93 8146.98 9395.2 8935.58 1407.77 1790.78 1562.86 949.35 612.17 315.48 10722.52 13387.76 20646.56 0 574.84 494.65 0 0 0 Butyric acid_C12 PARENT 39434.3 20529.64 20323.12 11571.77 9916.86 16703.29 17119.7 14112.99 21109.65 14042.12 20852.49 22034.38 24713.3 26405.13 25544.82 32632.15 13208.14 22819.38 9126.72 13295.66 16830.12 17606.42 21856.1 27400.6 11565.73 11404.27 17693.28 Butyric acid_C13-label-2 0 0 0 1026.96 1867.14 1511.57 2552.25 1115.26 974.18 1897.16 2417.84 1959.3 5634.46 4053.95 3238.31 6550.83 1280.02 2833.42 1687.14 1208.84 2324.48 969.25 3456.58 2427.58 506.49 488.51 1237.81 Glyceric acid_C12 PARENT 13027.6 9471.1 9674.58 8878.63 5457.81 5091.18 3665.36 2945.92 4038.79 5475.03 3954.76 3519.34 4830.22 4405.78 3570.96 3905.35 5092.59 2784.74 2855.52 3571.48 3356.81 3112.24 3507.75 5155.07 4366.48 3205 5234.27 N-Acetylglutamic acid_C12 PARENT 1549108.38 1656996.12 1802959.38 374381.5 421164.28 392052.91 373831.91 377018.62 339267.66 318105.66 306540.16 245843.77 1289718.88 1426236.38 1143987.88 1766868.38 1702333.38 1742466 214914.89 224055.81 310802.88 1140262.75 1256675 1273380.5 1018211.25 1241182.88 1269306.25 N-Acetylglutamic acid_C13-label-1 96922.25 118642.38 111870.69 25231.69 28513.41 26928.06 26840.01 28135.28 23945.69 17793.58 15821.53 9745.33 70144.54 85063.98 71097.7 121660.66 111622.3 116699.75 16645.28 16834.81 19521.74 60992.25 69955.67 78245.73 56147.2 76922.67 64991.67 N-Acetylglutamic acid_C13-label-2 1588.83 820.57 2525.55 765590.5 817225 856488.31 592416.81 635151.56 525273 513765.25 525869.44 437003.97 294666.56 330044.91 287038.09 427294.88 407489.22 415037.75 516180.28 492118.84 671530.81 293777.62 352403.72 375638.59 211131.45 279896.94 278128 N-Acetylglutamic acid_C13-label-3 0 0 0 51199.27 56263.09 66038.78 42591.15 55570.89 38391.27 19191.97 20138.36 14585.54 9347.91 11332.8 7612.43 13061.63 12358.78 14797.8 33983.05 28479.97 49301.09 9131.56 13051.92 11743.88 6095.97 10886.67 7629.16 N-Acetylglutamic acid_C13-label-4 0 0 0 273480.41 311483.47 335424.06 207607.95 223828.73 184256.64 50284.06 49779.05 39572.34 2630 2494.12 1540.77 5076.48 5262.85 4486.11 162119.83 170968.81 262971.47 2222.71 2113.87 2674.87 1921.17 2568.14 2047.43 N-Acetylglutamic acid_C13-label-5 0 0 0 63934.05 63201.62 74940.17 48960.41 49997.88 36558.94 7270.2 6280.02 4199.59 986.98 337.34 437.42 1595.24 1049.68 1291.22 41145.16 42110.27 56146.05 375.6 462.7 0 0 365.84 0 N-Acetylglutamic acid_C13-label-6 0 0 0 58779.3 68997.63 70458.2 46761.52 47922.5 37588.75 13889.14 15357.12 12793.77 369.16 0 359.21 1024.28 677.87 1349.81 44919.9 41771.45 53828.89 0 0 364.19 0 311.62 362.07 N-Acetylglutamic acid_C13-label-7 0 367.76 0 22804.95 24610.07 29728.14 20980.27 23055.66 17815.93 6020.51 4887.99 5600.68 0 0 0 429 0 0 14225.39 17489.52 19946.75 0 0 0 0 0 0 Pyroglutamic acid_C12 PARENT 29160090 25056886 23621138 30465030 34492748 31752342 36632308 29270122 24262704 38157196 36550452 23988486 33469496 39229220 31601878 34507888 33663740 29031126 24480234 24139742 27167576 17023208 29009424 24772110 25044216 26052966 23811898 Pyroglutamic acid_C13-label-1 1518161 1378261.12 1213336 1627130.38 1911318.38 1827290.5 2153082 1714775 1284798.88 2042798.62 1965711 1321333.62 1782878 2146406 1712911 2069429.12 1842719.88 1507143 1324076.88 1255634.38 1606085.38 884621.69 1495003.38 1308164.12 1422023.38 1458437.62 1265433.5 Pyroglutamic acid_C13-label-2 12142.14 12924.34 15300.32 179841.98 195295.44 172375.86 136653.95 172030.12 103264.09 77615.43 89580.41 45897.94 50411.07 34097.38 20312.19 40464.46 30436.08 23034.99 357356.09 382818.25 602732.56 17202.68 45598.75 29818.83 23356.63 25091.23 16470.26 Pyroglutamic acid_C13-label-3 366.73 420.48 764.81 40784.34 30424.19 32227.13 32718.95 34698.98 23423.77 3840.41 7140.27 906.91 426.63 759.12 0 2365.48 403.83 1290 65118.97 78978.37 123670.8 898.97 1333.04 707.02 417.71 672.04 772.9 Pyroglutamic acid_C13-label-4 707.38 0 0 48182.64 42922.89 46558.67 46838.21 44000.68 28319.34 30840.82 28525.88 13041.96 2865.52 2301.06 305.93 3349.11 2965.09 1883.82 104721.75 118046.55 204426.64 2288.97 5569.77 970.81 932.73 1728.2 2472.3 Pyroglutamic acid_C13-label-5 1728.06 307.03 1034.09 21448.52 23418.43 27681.84 21793.49 24719.11 18468.58 17136.41 8317.94 7195.69 0 1955.61 958.35 1867.55 995.16 524.04 50279.96 60914.02 86737.04 540.71 1944.67 2520.25 522.41 1519.5 990.03 N-Acetylalanine_C12 PARENT 853832.81 419817.38 745249.06 144617.72 64462.29 145495.95 114388.37 31656.3 76723.16 33860.19 104319.5 86797.37 150704.86 58255.61 148854.33 156765.89 55781.47 150033.14 31937.67 35028.42 124292.35 72837.73 144300.55 105556.65 31190.6 34772.57 93475.32 N-Acetylalanine_C13-label-1 27606.45 12737.03 24278.74 7396.76 3340.74 6366.78 5328.48 3024.93 3910.29 2081.61 2810.78 2761.38 5322.95 2808.82 5765.28 5263.19 3133.92 4765.96 1540.49 2100.45 6978.93 2603.33 5464.1 3785.2 1687.45 3026.43 1949.1 N-Acetylalanine_C13-label-2 352.2 0 497.53 104900.91 52760.83 105290.65 65872.66 27062.24 38685.72 16615.35 38530.94 36915.49 12065.98 6013.23 9948.29 9737.5 6243.49 11805.53 26597.41 32530.29 95799.81 5654.3 9237.05 9401.35 2199.18 2812.89 5920.14 N-Acetylalanine_C13-label-3 355.02 0 354.62 141307.47 65371.88 140247.7 107714.9 34768.47 69533.62 25967.49 81619.29 70447.3 310424.5 139039.64 315599.75 302796.47 119835.53 296810.88 38819.3 45060.86 124665.56 79595.7 202683.12 141659.39 35043.58 59024.44 126470.06 N-Acetylalanine_C13-label-4 0 0 0 9970.18 4902.44 11719.25 7000.65 3563.85 4683.84 1930.07 2335.26 2989.45 6224.63 1734.94 5017.51 5514.83 2273.4 4292.19 3073.15 3501.16 10223.22 1788.6 2744.99 1574.9 0 831.28 1641.86 N-Acetylalanine_C13-label-5 456.01 684.06 457.48 464582.25 246331.17 510843.5 264110.47 106698.87 180697.67 98963.31 247127.2 232162.17 73560.59 29912.28 70620.69 65314.07 25888.25 67800.37 133272.33 170873.45 409880.34 20907.24 55590.93 36759.46 10203.48 13195.59 25790.81 Pyridoxine_C12 PARENT 657372.81 245196.42 356127 197638.62 239891.86 447867.22 449892.75 203710.38 294203.88 246129.92 402041.38 409319.5 353172.47 191954.05 324665.91 358617.38 155681.45 245323.64 191642.56 172435.89 325331.31 190602.45 352684.53 215126.95 147657.28 144614.7 204726.61 Pyridoxine_C13-label-1 43428.06 14079.99 19395.67 9845.89 14360.64 23977.39 25457.19 10104.68 15990.62 15687.92 24486.35 23491.73 20326.45 12993.44 17046.32 22189.65 9104.89 12710.78 10143.57 9198.95 19255.23 11427.99 19449.14 10236.84 9645.14 6658.64 12595.82 Pyridoxine_C13-label-2 1359.56 315.45 418.16 0 852.03 378.36 488.48 0 380.23 0 477.72 553.69 0 0 0 0 416.04 365.27 365.19 467.96 364.97 0 346.14 359.36 0 0 363.61 Malonic acid_C12 PARENT 108878.81 100020.04 83695.07 50233.78 47177.19 29766.17 56981.19 81853.27 101638.94 116196.34 61785.71 46142.09 81935.21 88164.06 50910.7 69626.42 62990.15 68752.98 40328.14 33208.96 41464.73 85926.77 61893.12 89057.59 54621.95 100358.78 103823.12 Malonic acid_C13-label-1 1172.32 523.18 1098.16 1286.6 476.67 1030.63 1146.39 1485.63 996.15 1986.1 770.25 852.94 1674.24 1106.71 642.79 1683.75 819.86 1910.52 707.19 883.3 963.43 1324.54 1728.04 1327.67 758.09 1762.46 1578.83 Malonic acid_C13-label-2 0 0 0 6651.67 12549.05 7124.05 18004.42 10665.83 8239.88 5147.93 4458.78 5617.02 2155.64 5312.62 3734.5 2517.75 3405.61 3479.01 8158.01 11300.76 9908.28 427.68 2891.76 1025.84 0 1089.8 569 Pelargonic acid_C12 PARENT 429867.09 212006.2 288492.47 270065.41 222122.33 197967.86 443346.28 181704.95 226509.8 305196.28 284611.62 303812.41 219869.5 184467.61 295727.06 200000.61 175869.92 229482.33 218104.8 184840.44 514054.47 319187.59 305450.91 252757.7 196501.48 264744.78 393685.88 Pelargonic acid_C13-label-1 26705.59 11346.53 20358.96 16438.25 13152.46 13604.27 27895.41 10392.56 13202.4 16764.76 17732.17 22452.34 12106.72 11948.29 18008.11 12108.27 9572.56 13433.03 12566.73 11613.83 36139.29 24023.51 21122.02 15236.39 11190.77 15923.65 23124.34 Pentadecanoic acid_C12 PARENT 28292.1 10144.87 23047.66 17210.32 13495.28 13730.85 18850.17 18181.45 16026.69 17616.49 12913.95 54333.39 12930.5 9557.75 13764.53 27011.47 13353.46 17592.24 11946.65 13774.32 45397.89 22149.94 14374.7 16339.03 9785.89 10933.17 13800.83 Pentadecanoic acid_C13-label-1 5325.21 3127.87 4106.28 3544.75 3283.18 2825.4 2292.69 1811.64 1392.96 3064.16 2597.76 7525.48 1920.98 1588.82 2170.4 4573.52 2328.55 2857.43 2668.18 1454.83 6514.23 2964.4 2690.02 2600.46 2081.42 1419.98 2094.67 Phenol_C12 PARENT 36527.61 42773.38 50389.31 106040.41 110741.96 27312.98 23158.55 41149.05 44033.1 29630.86 70574.84 81590.79 24948.7 15126.3 25626.38 33887.41 27252.12 50408.07 63511.66 137301.42 185453.25 67058.26 30005.48 40586.34 63755.89 77229.54 98668.59 Phenol_C13-label-1 758.67 1710.56 1278.08 2126.44 4270.98 914.35 1053.14 2200.99 1567.24 1451.36 2264.63 3077.64 1706.4 918.73 1547.55 1246.87 1691.52 1778.87 2319.03 3948.37 7437.32 2347.5 1265.52 1597.24 2176.6 3155.79 3159.46 Succinic anhydride_C12 PARENT 23393.04 9985.73 10881.67 26208.27 28562.59 37580.88 15552.28 8245.84 10825.14 28479.41 31834.09 50448.82 24986.12 23320.57 27779.47 34272.72 24032.9 32158.41 20928.67 24990.56 28492.03 9877.26 16426.8 13748.18 13593.07 12092.47 16291.64 Succinic anhydride_C13-label-1 625.01 367.63 332.97 538.63 1017.02 2729.59 481.23 1829.62 795.1 1100.95 760.24 767.36 425.93 0 591.47 855.22 530.23 652.59 880.02 504 846.35 292.68 740.1 0 306.73 379.92 436.56 Succinic anhydride_C13-label-2 0 0 0 7401.68 8107.69 12597.78 3506.27 3101.67 3351.82 2406.83 2374.7 4723.37 0 0 0 532.91 0 0 5412.34 7400.94 6820.02 0 0 0 0 292.86 0 Ureidosuccinic acid_C12 PARENT 43732.64 39636.27 42270.22 28994.85 33210.46 16927.25 19318.54 24866.07 21568.99 34294.31 28277.42 31007.18 3470407.75 3600412.75 2728492.75 2522876.75 2506428.25 2571902 18377.59 17578.32 24011.81 346825.16 493876 345263.78 316604.97 551511.56 545621.94 Ureidosuccinic acid_C13-label-1 1125.35 1122.02 1196.86 2467.73 3577.95 1521.35 1626.3 776.11 1058.95 2344.47 682.63 1128.07 189895.23 190602.14 142898.83 134089.97 125376.54 127062.1 1477.08 1329.4 1450.06 11626.35 13026.87 9970.68 9372.59 18744.63 19125.72 Ureidosuccinic acid_C13-label-2 0 0 0 10032.22 11938.72 8151.08 6968.8 4784.65 7090.89 4046.05 2612.26 2915.38 27578.18 26362.91 24939.83 33777.64 36990.37 36019.91 4952.27 4970.04 8683.51 2253.9 4154.13 1574.44 3209.26 6223.89 6885.27 Ureidosuccinic acid_C13-label-3 0 0 0 9308.12 7463.12 5219.59 5342.25 7729.32 5960.55 17155.43 13188.94 12739.23 931471.06 967680.75 774489.69 908022.19 963093.25 933513.81 5321.85 5667.4 6114.71 73882.37 54312.22 48810.64 112937.87 183056.61 209081.83 Ureidosuccinic acid_C13-label-4 3737.86 4472.72 3448.38 3229.05 4556.53 2594.34 2588.5 3101.77 2069.57 3708.69 2575.3 2264.99 17871.87 16064.2 12551.36 14586.65 14535.54 15055.89 2030.8 1566.16 2728.65 2037.33 2088.83 2047.08 1194.85 3319.57 3690.18 3-Hydroxybutyric acid_C12 PARENT 108198.54 79268.04 65942.03 4007.85 4509.81 5317.29 5976.06 3864.06 4531.67 2930.83 3185.87 3971.37 4936.83 4014.86 4905.03 5128.24 3725.18 5990.57 4232.75 1698.34 4472.15 3907.26 4588.48 4596.44 2415.75 3488.24 4147.47 Hydroxykynurenine_C12 PARENT 4000.42 4808.41 3569.03 3778.78 4353.45 4842.86 3911.79 4152.24 2817.36 3293.34 4194.56 4058.14 3832.27 2408.27 3941.76 1685.71 3132.38 4131.84 2609.22 5205.28 3351.43 3169.7 4948.67 3202.53 3013.37 4738.77 4080.12 Itaconic acid_C12 PARENT 79997.13 96628.62 110825.66 43455.64 70072.28 42689.71 35959.71 22835.62 19963.92 22167.93 19252.42 20591.41 796376.31 731295.81 601854.56 667328.81 594396.44 666188.75 32194.32 34887.9 45391.93 118396.78 242064.95 203473.88 13012.28 19077.46 18552.73 Itaconic acid_C13-label-1 2508.89 2609.45 2126.69 2534.06 2288.4 2380.82 574.77 1287.38 1032.49 0 0 375.74 14618.29 14185.66 11303.76 12306.23 11844.72 9893.4 1201.4 1419.38 2543.42 2539.63 5060.1 5383.41 775.48 521.12 1490.87 Itaconic acid_C13-label-2 0 0 0 14241.38 15580.04 13496.9 4769.13 6078.04 4456.22 1910.4 1619.59 0 2879.02 2298.53 2706.48 2832.34 2629.78 2041.49 9470.67 8611.21 10966.93 420.59 843.56 386.48 0 0 0 Erythritol_C12 PARENT 107120.43 101858.12 124657.78 1142.61 1892.84 1152.99 2617.1 1730.36 1626.7 1797.01 804.84 992.05 1068.18 1044.9 0 410.93 591.55 1370.43 1208.1 474.35 787.93 292.9 465.11 736.56 2082.54 1934.11 1323.26 Erythritol_C13-label-1 2633.6 2073.63 2561.56 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Hypotaurine_C12 PARENT 47788.81 55923.27 72746.24 26697.78 25978.03 21125.88 17595.77 17103.44 15456.58 39340.5 32279.05 31626.35 31107.48 36599.62 33167.4 47331.46 40383.8 56446.98 18610.44 22244.4 29813.99 13037.83 25988.47 17703.64 7696.24 10889.38 13155.67 O-Phosphoethanolamine_C12 PARENT 1902.74 980.65 1762.24 1621.42 1990.53 1481.29 2357.94 1245.11 1673.81 1220.29 1458.76 1463.01 2526.65 2560.02 1695.55 1163.14 1477.68 1580.62 2375.88 2228.22 3287.76 7590.07 6498.28 7023.02 7728.67 12931.8 17031.56 Hippuric acid_C12 PARENT 272248.47 93632.66 67076.66 8317.59 8527.06 10645.64 24001.39 15258.53 10983.25 15064.42 15828.95 13383.44 14234 9597.96 8339.88 15151.54 9831.08 7620.22 6913.12 6604.87 10402.26 9068.54 11045.37 7886.48 17165.85 8827.04 9111.87 Hippuric acid_C13-label-1 16342.34 6210.82 5654.81 613.79 375.48 622.85 1940.69 532.24 452.99 1371.21 1666.44 1797.64 1375.37 765.54 802.84 1408.77 730.33 431.51 357.94 0 534.97 660.59 561.06 301.69 1407.56 319.98 417.57 Coenzyme A_C12 PARENT 37341.86 5794.2 47550.07 22574.41 58238.16 13627.25 20049.05 15919.48 17985.52 448.36 6396.47 22067.78 26589.25 2639.43 22396.51 31104.82 32488.66 50555.29 20930.74 22973.01 39340.46 9720.6 44755.11 31131.27 20154.69 32022.32 29427.78 Coenzyme A_C13-label-1 9341.34 1329.99 11176.44 7159.74 15705.71 3242.42 4514.33 5012.55 3172.87 0 1155.2 6083.82 6525.13 468.05 4058.12 7215.93 8428.85 11781.04 3166.78 5085.78 9723.52 3734.39 10494.66 7843.71 6008.3 7980.64 6039.01 Coenzyme A_C13-label-2 2235.9 0 2243.39 2929.76 4785.78 1040.37 1410.02 2169.56 948.93 0 618.4 1072.42 1244.18 698.42 2898.82 1801.57 1729.49 3723.71 2299.78 1973.79 3817.4 863.11 3641.33 1850.11 1052.28 1933.77 2367.92 Coenzyme A_C13-label-3 162.56 0 440.92 1351.69 2193.22 636.23 1244.07 1829.22 616.7 0 525.96 3179.65 2212.85 385.52 2759.13 2083.77 3688.01 5129.93 1995.73 1055.47 3576.54 971.88 2727.85 3189.05 1011.48 1405.07 1194.89 Coenzyme A_C13-label-4 0 0 153.91 789.28 4311.07 600.95 1584.79 1231.86 1020.45 501.33 184.58 2273.3 1881.99 0 1793.14 4296.58 4210.23 6265.02 1822.14 2544.97 3575.57 363.96 4108.63 2245.5 0 1973.84 2429.6 Coenzyme A_C13-label-5 426.96 0 1030.73 49477.82 99276.28 23922.85 41450.41 33895.34 40100.68 789.09 6422.28 31220.39 33076.84 2073.87 22691.82 36834.5 34453.52 59234.29 40772.53 45513.54 78119.76 11241.75 36357.41 33376.09 16210.16 28674.99 22460.46 Coenzyme A_C13-label-6 0 0 397.66 38080.06 92987.27 20501.84 28028.03 21928.19 25798.06 452.5 5859.58 28585.76 28558.47 2976.9 21727.05 28220.54 33872.78 49317.39 36439.09 37537.27 69314.56 5890.83 24005.68 20557.92 9809.98 18297 16597.32 Coenzyme A_C13-label-7 1317.62 1559.9 1887.92 22856.14 53930.66 12393.37 13665.49 10653.27 12454.12 412.99 4603.51 16415.11 14443.4 1140.36 11083.23 19598.43 17054.37 26996.26 18291.07 18678.22 36975.83 4004.02 14736 11717.12 4656.32 9243.19 7242.96 Coenzyme A_C13-label-8 530.17 248.82 208.93 11451.65 25349.28 5782.34 7330.82 6000.32 5284.54 0 2182.33 7850.9 7631.46 0 5795.65 7925.54 9135.29 14291.75 10257.56 8606.73 17930.02 1455.29 8405.05 7850.42 1777.35 4345.54 2867.95 Coenzyme A_C13-label-9 0 0 0 2710.34 8775.62 2055.12 1518.16 1800 1813.35 0 693.01 2982.07 1846.68 0 1509.73 2494.36 2680.05 3276.37 1583.41 2410.39 4995.2 408.91 3197.87 824.34 0 0 1136.7 Glycerophosphocholine_C12 PARENT 124564.5 134347.14 186046.56 107804.72 128644.74 131350.55 156822.45 155078.52 141905 136518.53 122461.38 105034.16 73545.98 91306.6 109703.18 116546.41 136404.86 164067.8 50806.52 46029.24 84174.23 11734.83 3716.78 5702.2 56632.08 57148.23 38413.59 Glycerophosphocholine_C13-label-1 8735.27 9605.46 14366.92 6278.48 9283.67 9019.56 11539.72 9931.87 8593.87 8949.77 9718.15 6986.05 4870.03 7099.76 7594.36 8837 8157.94 13386.77 3304.74 3835.8 5748.28 932.12 0 311.86 4066.02 4954.34 3570.34 Glycerophosphocholine_C13-label-2 0 343.26 384.8 315.26 312.84 609.84 1007.69 841.68 418.71 1495.24 1133.65 425.29 0 539.26 280.88 868.42 598.72 343.07 0 0 0 0 0 0 0 400.33 0 Glycerophosphocholine_C13-label-3 3186.56 3167.35 1745.21 59620.93 74735.13 77937.68 63467.98 65024.42 51895.91 64940.03 57079.75 45415.42 37902.65 41214.1 56610.83 47894.5 52043.32 61538.95 22305.9 24182.06 38152.7 5340.57 2450.39 3786.66 26864.47 32637.14 18566.86 Glycerophosphocholine_C13-label-4 0 341.15 0 2528.78 3567.31 3401.14 3656.45 2503.65 1971 1700.36 1481.95 2385.72 2368.57 2400.51 1913.97 1931.93 2292.83 2425.16 551.66 822.24 1228.6 0 0 0 912.68 635.55 470.11 Adenosine diphosphate_C12 PARENT 233147.83 120092.62 150641.14 22982.98 30624.57 19216.32 36484.17 40410.67 42112.02 22566.79 18934.15 21718.75 76850.34 64277.88 62800.33 65500.5 60193.61 86958.07 17390.95 12651.6 20046.13 128926.62 96306.55 133371.36 66457.19 105761.4 102656.81 Adenosine diphosphate_C13-label-1 24089.84 11912.91 14223.36 3130.36 4962.35 2670.9 5102.9 5566.86 6058.49 6066.07 3047.41 3244.24 12019.53 10916.85 11006.48 10161.02 8884.12 12885.7 3809.25 3137.75 2952.99 17563.79 14176.33 19285.24 8999.54 10868.16 12186.51 Adenosine diphosphate_C13-label-2 2462.49 1575.62 1481.38 1262.18 1406.92 394.37 712.08 1736.55 1467.81 1688.36 555.96 665.44 3176.22 3670.37 2654.88 2271.16 2445.34 2075.29 809.39 1003.23 1786.67 2260.38 2533.55 3194.38 1236.64 3149.1 3661.66 Adenosine diphosphate_C13-label-3 0 374.9 272.71 2235.64 2968.91 2179.9 2641.34 4210.85 3533.03 3259 2321.58 2389.32 9746.68 8626.46 8211.72 7670.04 7891.1 12354.37 1762.14 1756.59 3843.41 9729.83 6911.55 10545.19 3855.07 6556.38 6197.02 Adenosine diphosphate_C13-label-4 0 0 0 3671.8 3082.91 2404.68 4167.02 3543.84 4381.31 4262.82 3172.3 3423.32 9199.97 8356.48 6736.4 7974.92 8192.2 11330.36 4200.02 2277.7 2353.1 8435.94 7796.18 9621.82 4104.61 6232.26 6668.71 Adenosine diphosphate_C13-label-5 517.98 1133.4 1434.39 89207.53 90445.16 55525.2 112839.81 109374.69 128763.44 64657.16 38707.73 51565.29 134442.45 126241.02 107422.32 111575.43 109703.51 144725.25 69844.43 53567.45 74434.45 185209.67 111937.91 168648.45 75532.05 118733.32 110745.34 Adenosine diphosphate_C13-label-6 973.58 606.79 694.73 82409.64 88916.09 58656.07 81788.12 80867.28 100593.09 64134.77 40429.12 53009.11 112754.12 106733.09 87496.78 90116.19 95377.23 129475.12 58029.3 41741.11 67964.15 93306.09 76086.21 112958.54 36641.12 68240.09 67965.95 Adenosine diphosphate_C13-label-7 574.75 0 415.54 42888.89 52588.39 32902.89 41768.1 39362.14 40799.3 31821.01 21234.14 25366.19 52414.25 53883.61 45390.6 46772.96 47186.98 65383.47 26669.52 22805.71 34936.4 39590.74 43262.73 57016.16 20815.25 27547.77 29558.67 Adenosine diphosphate_C13-label-8 0 0 0 20933.01 25215.8 17171.79 15210.73 17615.97 17462.33 16721.66 13120.85 14085.32 26818.41 27616.05 18014.47 23395.31 22530 35215.8 13788.5 10275.52 17268.02 18327.17 22000.52 26648.65 7273.02 11424.36 12618.72 Adenosine diphosphate_C13-label-9 0 0 0 6990.55 8137.67 5710.74 4561.9 4173.89 3912.03 7217.91 3707.27 5120.62 8074.26 8863.85 5662.89 9543.23 8974.44 10652.09 3403.94 2505.36 5579.52 4716.52 4684.91 5747.93 1542.74 3211.4 3277.92 Uridine 5'-diphosphate_C12 PARENT 169686.09 72646.77 91347.16 193402.69 195234 124682.88 198320.62 192999.67 243903.19 224595.14 107666.88 142184.38 250597.25 240104.77 206671.42 224842.38 237282.56 343365.66 181327.75 121847.28 197711.88 321598.44 221211.81 316171.84 115365.35 180282.08 201862.64 Uridine 5'-diphosphate_C13-label-1 14948.57 6699.51 8419.42 15623.14 17130.46 10918.02 20608.89 19062.15 18607.51 21026.42 10054.29 12543.13 19697.81 22373.18 18026.47 19485.6 19843.65 31902.6 15215.99 11184.38 19042.29 27455.77 21161.31 28076.17 10873.21 14670.8 17710.4 Uridine 5'-diphosphate_C13-label-2 2221.56 829.96 1253.72 1574.04 3464.42 1101.84 2567.26 2278.62 2516.42 1477.57 1297.5 1911.85 2154.82 1981.56 1732.65 2213.93 4227.63 4745.95 1914.92 946.62 3395.34 3229.79 2602.48 2407.37 918.71 1820.28 1790.85 Uridine 5'-monophosphate_C12 PARENT 596429.31 259619.39 273752.84 281226.91 227198.7 301632.25 631935.31 592057.19 270113.53 911155.94 755281.75 224414.8 342039.59 326533.75 196057.31 524002.5 339824.09 223160.55 451553.5 277490.06 342947.16 1253801.25 630630.06 755785.75 1136547.12 1037978.5 764054.5 Uridine 5'-monophosphate_C13-label-1 52932.82 19698.41 27279.86 24479.91 18650.53 24905.15 63229.48 48698.75 23237.91 85638.52 77689.46 18107.87 30090.4 25993.97 13648.48 47296.88 28248.63 22540.67 41004.3 24435.22 28202.7 123702.15 56338.96 71845.82 107853.15 98642.97 60110.51 Uridine 5'-monophosphate_C13-label-2 2851.88 606.13 979.09 691.18 808.56 1313.17 2437.07 3504.11 1755.04 3193.35 2465.07 1543.56 1116.36 1711.72 388.6 5430.1 2981.34 2113.12 1707.9 1807.56 1268.63 4313.18 3087.47 2876.82 3555.97 4232 3969.48 Adenosine triphosphate_C12 PARENT 757533.31 283809.16 360951.91 86150.09 167409.02 38966.78 145455.11 144228.25 210876.86 99131.41 56436.73 88296.88 194887.11 174038.92 172621.58 193429.75 231650.73 371441.28 72168.08 84040.5 148168.11 361917.47 512492.91 518293.09 222637.08 443718.5 537408.25 Adenosine triphosphate_C13-label-1 83232.1 29785.17 40413.24 14670.54 24021.84 6464.27 23156.97 20198.68 30322.14 19813.63 9834.45 13629.21 30603.69 29175.66 29391.93 28197.63 33232.89 56879.97 11946.15 13972.29 25069.83 45646.48 68061.33 72316.13 27569.32 57657.76 69240.16 Adenosine triphosphate_C13-label-10 0 0 0 1732.58 1791.34 488.74 2111 659.74 1691.82 1915.33 445.55 1599.65 2287.29 2499.15 1404.17 1605.42 1425.25 2886.63 1085.74 1317.93 2841.19 1163.5 1456.67 2651.78 0 452.91 1216.74 Adenosine triphosphate_C13-label-2 16429.76 4862.69 6644.62 5051.15 9575.11 1988.78 10775.18 9523.61 11639.4 6599.81 3685.82 6627.88 10582.96 8232.55 9143.6 6693.25 11037.4 17112.65 5815.7 6002.24 12928.43 11776.2 14018.86 18300.06 6402.58 12453.92 11242.01 Adenosine triphosphate_C13-label-3 1330.81 341.42 397.04 9618.74 15149.48 5133.16 18876.95 13843.52 16634.27 13773.78 6350.48 11053.89 26003.7 23069.44 22369.42 22247.28 30645.25 51117.34 9782.24 11355.58 22089.94 32538.67 37181.17 44628.74 16781.07 26403.78 38120.71 Adenosine triphosphate_C13-label-4 0 0 0 13439.74 20302.79 5360.35 17772.79 15561.81 24500.58 15064.35 8852.82 12798.09 23057.63 22452.79 21898.24 20993.47 27682.28 45850.45 10443.54 16016.16 27068.83 30751.69 34795.17 41585.82 13289.44 23662.44 31222.77 Adenosine triphosphate_C13-label-5 4899.49 5650 5561.13 293054.88 461706.28 118991.16 475359.84 437151.88 667879.12 220126.38 123765.47 216068.19 342040.22 314875.78 326065.59 313057.75 404196.03 645488.19 291520.72 339229.19 538417.56 528502.94 526099 652735 264601.62 497913.5 578928.5 Adenosine triphosphate_C13-label-6 3988.22 5286.08 5341.84 283430.72 441869.03 113790.44 332013.97 332771.06 423530.38 241811.45 123891.37 209253.05 281582.34 261247.3 247112.05 253790.81 311968.16 524542.06 224884.7 288457.59 448164.41 264475.22 406474.75 425627.22 138738.72 289134.62 354804.5 Adenosine triphosphate_C13-label-7 2786.23 1526.36 3141.14 163074.45 267974.53 67078.26 160298.67 166940.33 210665.67 131778.89 69004.94 113800.96 147689.8 136752.89 137331.12 139649.95 178147.2 326823.25 118048.88 152086.45 257144.27 128121.73 216901.2 224311.25 60203.94 133457.08 166399.42 Adenosine triphosphate_C13-label-8 4587.13 2488.38 3803.44 74095.51 126687.65 34341.83 68152.12 74386.01 79056.25 61747.67 32292.08 52556.8 75166.35 68525.23 65254.07 72695.55 89115.52 174244.05 52711.2 74030.84 118365.66 53298.77 101593.69 109444.09 24809.13 58281.24 70922.74 Adenosine triphosphate_C13-label-9 0 461.26 491.29 22190.53 45208.46 11027.74 14970.79 19455.19 18090.88 24006.04 17580.08 20641.61 22400.47 22145.96 18530.3 22997.74 28694.18 48407.45 14598.16 16361.04 35608.56 13635.8 31243.73 31848.3 5860.17 13733.14 14238.57 Cyclic AMP_C12 PARENT 34440.06 30967.44 38191.73 3360.35 6429.18 6532.48 3137.59 3347.43 3180.97 869.95 3127.03 4347.68 3567.75 1161.86 6238.52 3944.91 1344.88 4924.12 2390.95 1129.07 3468.28 3723.37 7539.15 3147.87 883.85 4337.48 3489.62 Cytidine triphosphate_C12 PARENT 51894.51 13848.34 22673.63 58972.46 98533.2 20865.5 78273.48 74078.97 115255.99 43078.28 21290.23 41385.4 54449.53 57597.85 52416.44 40176.47 63755.46 132465.95 44912.87 59351.61 112177.04 74585.54 79651.35 109431.32 28818.58 70240.24 76061.51 Cytidine triphosphate_C13-label-1 5609.36 720.16 2336.11 5949.17 9902.62 2451.91 7999.54 6638.07 10616.55 3814.24 2583.01 3315.43 5543.06 6326.75 5530.02 3894.69 4832.17 12623.54 3781.5 4212.27 9443.69 8120.16 8158.56 10524.62 2740.92 6557.78 6568.94 FAD_C12 PARENT 82979.88 79524.73 84847.37 27992.65 38955.87 32064.92 30048.51 30023.54 26117.71 32065.9 28230.79 27779.05 27794.58 30679.7 26041.43 31993.35 34539.08 35331.04 20724.66 18657.99 27923.08 22775.4 33403.2 26442.3 22424.15 31737.19 32768.35 FAD_C13-label-1 21604.48 25373.35 24541.58 10190.2 11916.54 10484.74 8791.8 9624.87 9083.03 9648.06 7811.86 8769.78 7681.45 7895.97 6511.55 8670.55 9120.51 8209.99 5016 5693.61 10070.37 7146.66 11261.33 7878.16 7093.08 7964.25 9827.51 FAD_C13-label-2 3441.43 4309.74 5198.3 2595.31 3184.05 1879.43 2074.74 2817.05 3049.82 2283.17 2556.24 1874.91 2463 2249.61 1978.05 2120.38 2327.1 1579.03 1325.36 2498.28 1150.48 1864.22 2404.24 2817.65 1771.61 2215.15 2115.62 FAD_C13-label-3 470.71 894.75 435.48 1038.8 1563.52 1982.74 1312.45 669.72 970.15 1418.11 1643.23 1471.87 1339.64 1338.25 1642.28 806.15 2299.14 1732.19 475.84 668.36 1551.28 850.81 1196.41 438.53 0 852.61 593.02 FAD_C13-label-4 0 0 0 1291.11 1421.82 651.9 648.67 2136.25 1061.92 2502.49 1150.42 1197.87 1229.08 2103.61 537.59 1044.43 2277.31 1902.5 614.13 593.04 1269.82 665.6 1193.77 556.41 0 0 1024.76 FAD_C13-label-5 347.78 0 0 33677.52 35380.88 29838.38 31631.82 27058.39 24354.11 23476.91 20565.51 22077.87 20402.67 17835.99 16759.65 20869.84 20866.56 20946.98 23496.54 25517.92 28488.1 11673.88 15119.58 13549.01 12570.59 13106.55 13741.16 FAD_C13-label-6 0 413.68 0 28091.88 31870.9 29640.77 23165.34 23464.93 18251.19 20226.89 20413.13 17863.35 16846.73 16003 15034.55 16741.75 16838.16 20637.44 20094.26 18756.45 25674.44 8447.68 13707.1 9867.95 5654.63 9815.97 9426.14 FAD_C13-label-7 513.36 1331.3 676.74 17130.5 22779.84 18027.85 10952.65 11932.91 8975.02 14898.32 14681.39 12213.91 7922.22 9428.93 6156.48 9379.16 9907.06 10561.12 11546.96 12691.76 18965.93 3607.39 6120.12 5755.95 3152.65 4449.44 5004.13 FAD_C13-label-8 0 0 0 6336.22 10627.27 7366.34 3288.42 4665.29 4746.37 9552.81 7594.72 6234.42 4757.51 4603.29 3640.81 5733.27 5432.39 5771.5 5151.82 4962.17 8600.77 1052.98 4974.75 2991.12 1422.23 2450.08 1428.15 FAD_C13-label-9 422.59 0 0 4285.14 4653.12 4642.86 1444.39 1205 510.25 2886.26 2840.45 2517.54 1510.06 2483.83 1460.66 2473.25 2225.38 887.38 1183.39 673.96 3453.86 541.03 1019.07 686.06 0 436.27 584.24 Fructose 1,6-bisphosphate_C12 PARENT 28509.79 5259 10096.17 1391.04 3200.21 1246.39 667.5 1249.16 2283.45 2182.58 523.11 1424.8 3120.6 2384.75 2961.78 2235.65 1988.46 5027.52 2412.89 951.64 3677.04 2778.81 2504.94 2326.84 640.21 913.07 1305.71 Fructose 1,6-bisphosphate_C13-label-6 8584.01 6884.69 7296.08 55812.35 115032.02 27937.57 35439.68 32705.38 53736.17 38634.59 17729.32 65959.56 179287.17 121711.12 140406.83 81261.73 103180.7 255536.75 47214.21 56664.23 135821.56 81706.45 150640.58 137722.77 24250.67 61757.44 86950.68 N-Acetylneuraminic acid_C12 PARENT 145754.22 134845.86 155297.2 62697.67 76380.02 76768.96 37613.1 35354.75 28494.15 88593.37 76385.16 76723.08 72201.23 82401.72 71387.01 50384.78 57606.23 67497.38 34658.65 39878.67 51875.09 32058.91 59038.56 38108.96 25037.93 31033.48 29948.9 N-Acetylneuraminic acid_C13-label-1 13760 13654.7 14928.32 7069.44 7481.31 6748.53 3334.67 3345.83 3832.05 10514.17 8778.42 8655.32 8514.55 8021.27 8013.02 5461.44 6651.21 5717.24 3706.33 4001.35 7061.16 3430.47 6791.59 4542.81 3791.29 3455.7 3309.14 N-Acetylneuraminic acid_C13-label-11 0 0 0 20338.62 24960.3 26175.83 9081.87 10237.51 10310.77 29164.79 26750.1 26225.17 5229.11 6586.93 5337.14 5772.57 5797.36 6183.91 13690.6 16420.02 19133.09 858.99 523.17 695.62 581.68 1383.47 554.87 N-Acetylneuraminic acid_C13-label-2 476.95 566.83 131.14 632.68 305.46 1555.16 298.45 0 0 590.41 545.37 410.98 440.49 0 719.94 122.32 493.81 354.41 0 0 0 0 409.64 0 0 0 0 N-Acetylneuraminic acid_C13-label-3 857.03 760.76 2070.49 22091.31 22505.62 24835.5 12786 13568.39 11158.82 31407.23 28506.92 26562.08 19614.4 27292.06 22740.59 22460.66 22132.5 24178.43 14167.51 13792.5 17769.56 10009.3 16752.28 9829.89 10400.08 11886.99 14099.43 N-Acetylneuraminic acid_C13-label-4 0 0 0 2256 1745.92 2184.68 730.66 585.69 888.96 2196.96 1557.02 1504.98 1988.5 2779.71 1699.76 1202.85 2183.68 2158.62 972.82 1010.48 1005.78 0 1714.29 848.43 430.41 536.98 654.92 N-Acetylneuraminic acid_C13-label-9 0 0 0 11122.7 13227.35 11321.97 6568.43 7461.12 5863.51 17043.59 17487.23 12761.59 21822.16 27632.06 24816.66 24111.17 25205.08 23572.62 7248.48 7985.96 10399.07 3726.77 4209.76 3377.66 3727.72 5269.16 3404.17 NAD_C12 PARENT 2174008.25 1655968.88 1961918.38 272431.84 384250 225134.58 220235.3 256080.38 220528.67 380150.09 302649.25 319886.03 425352.28 461807.41 371370.41 381331.09 384101.62 486185.34 119084.03 137312.83 192498.83 146539.39 277047.16 209643.17 84159.71 154607.5 225109.31 NAD_C13-label-1 500704.66 394372.88 445602 60067.73 79735.35 54183.64 49946.58 52617.47 56308.97 77006.4 70051.62 73820.2 97001.91 103015.26 86145.38 90590.48 88808.24 108262.41 29959.08 26530.03 41939.14 34631.58 61937.14 51594.43 19630.37 36681.59 47817.02 NAD_C13-label-10 1050.2 452.31 943.14 887061.31 1022204.69 715615.31 840172.31 923560.25 942578 670727.69 591903.19 638390.31 675088.44 724240.56 596637.31 614766.75 620695.81 757422.69 432107.53 437442.22 644790 179173.02 253591.88 218162.05 90233.15 152270.36 233698 NAD_C13-label-11 0 389.83 288.8 663765.69 798192.31 553090.88 512211.91 553828.19 531096.31 526932.44 472840.25 512601.28 485596.91 500832.09 395856.22 441460.53 428830.75 544005.5 291240.31 292705.12 475299.28 81105.16 165178.67 119571.76 40504.75 81996.49 126398.74 NAD_C13-label-12 0 190.79 346.38 359480.16 421407.84 316873.72 245518.5 268604.28 243015.83 286174 259266.5 274326.66 259684 271959.09 219479.62 231290.42 226380.17 284579.38 141356.33 145820.7 234425.17 34016.59 80215.84 59048.59 16898.59 35862.52 57095.13 NAD_C13-label-13 0 0 0 168397.69 207184.5 145607.89 92648.15 98949.54 90892.13 139356.64 123687.35 120775.88 125995.6 129425.78 95762.02 113102.52 102659.44 139323.95 64421.79 61188.16 95697.93 14385.69 36274.97 21834.99 9727.45 14389.47 20547.39 NAD_C13-label-14 0 0 0 46260.53 61808.67 41616.45 20122.4 24914.48 18619.54 46768.11 41963.8 38419.28 33838.15 42662.39 29887.1 29720.83 31471.06 39062.78 14439.06 15469.91 24699.56 3499.58 11174.66 12176.64 6685.26 6044.79 4479.78 NAD_C13-label-15 0 0 0 4406.47 5596.26 4092.75 1669.78 3787.06 2790.51 4057.45 3405.74 4269.71 4202.81 5123.41 3283.9 3185.09 3038.5 3561.52 5671.43 3903.84 8405.58 1336.93 4755.58 3672.51 1252.48 3920.15 2757.11 NAD_C13-label-16 0 0 0 531.74 1241.97 517.4 887.81 762.11 39.87 430.29 1767.89 555.58 674.18 1089.26 68.19 576.93 583.55 530.87 751.47 1702.22 1455.81 327.9 1657.08 2475.43 677.59 647.96 367.3 NAD_C13-label-17 0 0 0 1818.15 2373.54 4062.65 3166.06 2984.54 1824.29 3092.84 4102.4 1920.29 3424.02 3793.06 1596.83 2732.86 3438.67 2739.91 2578.03 1208.13 2256.58 923.84 873.27 2253.65 1338.08 842.22 1232.56 NAD_C13-label-2 77661.77 63103.2 74675.16 14745.91 19211.14 12522.16 11641.67 15368.24 16237.12 18557.42 15173.48 15653.39 22867.47 22380.1 20505.28 20549.57 19683.44 24947.25 5663.44 6375.71 10011.26 6456.65 15186.23 12154.76 6452.58 10154.25 11542.63 NAD_C13-label-3 13001.34 8040.11 10268.19 13038.11 17161.1 14023.41 15795.22 15074.17 14327.08 27680.31 21379.74 25013.65 53343.44 56093.6 47408.55 51879.53 44071.14 57691.04 7751.8 8114.67 15278.46 15213.27 26586.48 20278.3 7229.83 13811.44 25776.72 NAD_C13-label-4 1865.07 2614.3 911.87 14607.17 20108.53 12460.3 15319.26 15611.89 18101.12 18589.24 17956.05 16738.35 26624.88 29747.39 24735.33 24212.36 23464.17 28557.72 8076.63 6473.01 11404.72 8452.15 13389.81 10623.17 4890.39 6923.1 12828.47 NAD_C13-label-5 316.5 217.28 290.97 535610.25 652755.81 469728.34 539641.62 599658.38 569729.19 545939.75 446181.34 456562.91 673619.81 751216.06 601754.12 641139.25 642275.56 802033.19 222859.56 263328.97 380437.25 239736.2 401104.72 334460.47 141453.98 271403.5 399698.66 NAD_C13-label-6 391.93 0 0 131739.91 157818.95 112881.62 122020.12 138930.08 130431.84 143099.23 117523.56 125860.99 175260.62 199385.83 166123.12 161660.61 154137.64 193501.2 57113.28 62788.25 86790.23 50381.18 91037.32 74793.52 26270.33 53654.72 85007.29 NAD_C13-label-7 371.03 0 0 58786.25 66239.25 43129.91 54738.68 56594.04 51728.99 64153.11 51971.71 57289.85 72928.32 79955.19 58256.1 62272.2 58762.96 83383.98 29492.62 30702.34 46507.09 14670.92 29566.79 20841.88 8699.46 19697.92 24083.11 NAD_C13-label-8 0 0 0 74769.29 80336.1 55773.79 69397.77 75283.62 74118.41 90492.72 75591.51 91995.41 125866.4 125382.99 107335.6 106291.3 106373.13 139285.53 35012.93 37408.92 60534.19 24790.72 36941.81 35172.38 12383.32 17294.31 33014.45 NAD_C13-label-9 0 0 0 81811.45 92855.12 64970.2 67818.69 70035.35 73211.73 84534.59 69387.96 78614.17 102501.43 104786.54 83581.7 93822.69 91993.44 108834.71 38749.95 40456.87 62877.06 16825.57 31766.87 21714.32 6121.92 16379.39 21973.93 NADP_C12 PARENT 27933.88 6298.19 10494.65 1870.75 3631.7 1619.88 4526.67 4052.97 2955.29 2913.81 1529.89 3402.56 6575.12 7127.93 5570.25 5078.57 5359.56 7771.43 2430.34 1706.87 5539.13 8287.63 9781.62 9205.81 3329.62 6183.78 8044.2 NADP_C13-label-1 4854.29 551.42 1535.9 453.98 639.33 0 0 577.14 1094.25 1382.87 437.21 783.97 1436.15 1797.18 509.68 1191.93 1570.61 3077.61 0 0 1972.45 1236.32 2145.87 2605.8 1057.09 1941.42 660.71 NADP_C13-label-10 0 0 0 6686.3 8486.23 1673.38 11333.2 8742.94 11294.56 5953.09 2886.19 4838.82 8871.62 9662.37 8171.1 7523.25 8105.32 13447.64 6739.04 6475.09 12727.56 6705.46 7671.33 9620.65 3382.11 5564.9 5635 NADP_C13-label-11 738.87 464.99 635.66 5584.8 6447.23 1714.12 5091.15 4848.11 5182.48 5608.92 2116.99 4062.54 6839.85 7251.83 5573.51 3959.28 4673.55 11022.23 4391.48 4529.38 8133.8 3353.34 5461.85 4781.89 1512.42 3690.5 3948.24 NADP_C13-label-12 0 0 490.05 2512.26 4530.59 703.31 2467.76 2461.65 3015.57 1576.82 689.75 1833.98 3722.41 3515.42 3470.67 2872.09 3303.92 4656.52 1672.54 2573.69 5912.31 1088.05 2315.86 2709.25 448.89 536.43 801.13 NADP_C13-label-2 469.22 0 0 886.81 2532.95 522.56 2547.62 3124.8 5136.96 1315.84 564.95 1451.56 1929.03 1564.01 1447.66 1924.86 2643.43 3170.56 1660.5 1317.91 1148.64 4162.07 1717.48 3973.4 2896.08 3557.81 3134.47 NADP_C13-label-3 0 0 190.62 1273.42 1624.59 679.84 2491.11 2971.51 2517.84 2126.8 880.25 1290.73 797.05 3255.81 1875.08 1531.94 3041.78 1573.55 765.3 1201.5 1704.92 1877.58 2213.08 2995.46 1503.77 2304.33 2967.47 NADP_C13-label-4 0 0 0 1104.26 646.68 447.62 544.95 525.92 2588.5 750.37 579.02 881 1637.29 645.03 574.8 933.73 1155.02 1236.96 682.98 1097.33 570.27 1565.58 642.22 957.38 433.57 932.79 949.51 NADP_C13-label-5 474.16 0 467.54 4639.78 6148.63 3077.59 8358.72 6717.93 9885.47 5445.04 2900.12 4040.49 10073.62 11313.82 10829.77 9295.3 9653.16 14778.04 4898.08 5209.18 6967.83 12574.67 12219.1 13276.68 4746.79 10978.02 9909.61 Orotidine_C12 PARENT 30085.66 37458.96 31341.79 8723.94 10639.62 11378.3 6233.35 6864.82 6138.22 13110.31 10460.27 11269.97 2242.15 2361.26 4743.83 2574.23 2950.64 2244.85 6437.28 6822.55 6984.3 3237.03 10377.4 4713.77 2690.03 7304.61 5711.6 Orotidine_C13-label-5 485.36 1442.71 416.36 15243.53 16357.51 16892.5 20714.74 18284.01 14449.1 25951.52 17936.92 15756.1 6683.2 6508.91 5709.62 7387.8 8724.84 7034.26 13891.6 13261.59 14930.31 10451.25 23602.16 16341.24 13855.21 19497.28 18009.2 Orotidine_C13-label-8 1197.54 483.36 624.17 3801.05 5277.45 4067.2 5923.64 6002.38 4802.95 11633.77 10467.05 8795.95 1332.85 2540.14 1903.99 4031.48 4114.62 3671.15 3484.69 4969.29 3994.56 2771 5032.88 3927.3 4924.87 6764.51 5848.48 Palmitic acid_C12 PARENT 1732774 838726.19 811438.31 1001514.69 1114317.5 718441.75 1741189.12 1477629.62 947862.06 1565068.62 1092424.88 1364927.5 1015043.81 727547.75 1315570.38 1217215.38 1103780.38 777614 1059912.25 1057076.62 1563090.62 1380832 900641.44 502433.09 961531 757782.69 623793.38 Palmitic acid_C13-label-1 293530.91 142575.89 141027.5 172727.86 190319.02 129072.15 322525.91 268231.38 175033.38 279343.94 199301.38 248403.81 161020.88 135290.44 242981.88 222754.12 200709.92 137472.5 196182.12 189319.8 282368.91 254568.2 174889.05 99270.88 184697.12 135484.72 118826.79 Palmitic acid_C13-label-2 22426.42 8880.93 10730.99 11005.57 12313.99 8214.69 22007.63 21823.96 10479.17 18551.1 11789.43 15262.87 29220.12 20021.63 22178.34 27219.34 19516.94 13432.03 12612.73 13695.86 19265.09 21234.01 19351.81 13053.59 16416.99 15984.27 15183.15 Taurocholic acid_C12 PARENT 10401.95 4159.48 3757.69 384.05 689.78 969.02 2599.58 1737.36 584.25 1161.97 2417.97 2488.81 831.51 874.81 2042.54 1224.4 623.83 755.24 1191.29 0 2282.45 1101.75 2427.29 503.78 788.34 1529.34 1019.29 Uridine diphosphate glucose_C12 PARENT 2154021.75 1855303 2106165.75 94794.43 171000.64 79391.55 71732.06 72581.38 73818.56 110240.32 86690.13 88226.04 95459.07 88210.18 76012.88 77404.88 83973.75 104998.56 60389.54 66027.29 99886.66 50149.05 81482.72 66781.4 27880.4 49276.78 53237.41 Uridine diphosphate glucose_C13-label-1 395776.75 306648.66 345906.41 16014.18 26092.06 12429.31 11355.82 12438.9 11678.01 16967.24 12252.63 15304.61 15213.29 11918.02 14287.24 11146.25 11603.04 17895.43 10304.16 10022.82 14381.94 9250.46 10479.11 8896.51 3443.49 10437.36 7462.33 Uridine diphosphate glucose_C13-label-10 0 0 0 2852.98 3156.35 2443.69 3694.86 2593.5 1967.48 4003.22 1483.52 3609.26 1204.47 220.78 284.31 894.35 1038.7 1696.94 2139.43 2306.65 3541.31 1430.4 4468 2238.69 641.66 2874.3 2906.59 Uridine diphosphate glucose_C13-label-11 0 346.38 0 58014.04 73684.49 42624.25 56677.93 62614.18 56650.36 67977.13 51568.02 62833.66 25919.79 28242.76 20036.84 30082.19 29154.95 37976.8 44536.46 50169.88 63295 49673.89 86832.55 65224.19 33810.75 60829.92 59553.8 Uridine diphosphate glucose_C13-label-12 0 0 0 13726.34 18019.83 10444.75 16433.11 14925.8 17170.56 7375.32 5919.44 7583.44 1351.82 2550.43 1078.82 1515.93 980.76 2255.75 12471.56 13553.2 17767.8 3440.2 5680.46 3041.83 2903.03 2839.17 4594.44 Uridine diphosphate glucose_C13-label-13 456.29 0 0 17147.91 22442.02 14596.36 22866.56 23546.18 23066.95 31384.08 21736.29 25940.3 4671.91 3566.02 4313.45 8120.72 5764.89 8897.46 14750.21 19441.86 23435.23 6427.33 8070.18 9050.44 6927.61 9251.75 9349.94 Uridine diphosphate glucose_C13-label-14 0 0 0 9692.46 13795.22 8556.11 14070.51 14755.68 14327.5 12976.27 10167.76 11833.8 3557.16 3698.78 2357.08 6494.61 5754.84 7871.3 7159.09 8146.58 11691.05 6027.44 5571.51 5371.9 5868.83 9119.19 8346.72 Uridine diphosphate glucose_C13-label-15 0 0 0 520.65 1357.84 411.07 0 587.76 0 525.49 0 802.34 0 0 358.99 0 383.05 0 0 752.43 518.76 450.49 0 0 0 0 408.31 Uridine diphosphate glucose_C13-label-2 75635.57 56580.36 69213.34 2768.89 5713.4 3772.49 3450.8 3115.78 3439.54 3293.68 2130.57 3412.97 2702.87 2529.66 2697.51 2237.77 2027.86 2635.9 1989.8 2078.59 3108.1 1840.44 2517.71 1502.5 1196.71 1569.77 1248.59 Uridine diphosphate glucose_C13-label-3 12511.57 8796.91 10717.18 12240.88 12854.32 9174.96 12741.5 9789.12 9704.01 8089.67 4775.83 4358.01 1729.2 1782.83 1746.6 2591.95 2699.31 2666.24 7847.06 9105.23 11677.55 798.58 2671.23 2863.03 379.46 1914.02 897.47 Uridine diphosphate glucose_C13-label-4 871.62 791.2 337.67 8029.57 11507.85 8153.96 8478.68 7315.33 6593.17 6801.04 6073.79 6438.79 4050.6 3908.12 2966.1 4586.61 3861.24 6055.96 5807.72 7792.68 10589.26 2316.44 4853.48 3435.25 1268.67 2782.46 3165.3 Uridine diphosphate glucose_C13-label-5 0 0 0 58820.93 72163.34 53857.23 53332.8 58257.39 52322.73 59587.34 44353.24 50471.56 42488.72 43213.08 32485 44681.91 44829.5 61785.96 44229.96 43179.34 63556.52 28091.1 42489.34 33109.35 13996.82 28689.61 31555.3 Uridine diphosphate glucose_C13-label-6 0 0 851.32 2957545.25 3772997.25 2441562.25 2401050 2763180.25 2694069.75 2950643.25 2294936.75 2496099 2161831.75 2149388.75 1781979.38 2172565.25 2290665 2944709.75 2111328.75 2318356 2981755.25 1430894 1943106.62 1692366.12 817905.81 1431728.38 1498530.5 Uridine diphosphate glucose_C13-label-7 1493.8 1512.67 1282.27 311361.59 410078.16 274981.59 258227.64 274459.66 292329.66 297618.34 253419.45 243431.17 228214.17 232684.44 188542.31 232253.7 230214.52 318011.78 216706.86 227139.62 331857.72 145894.19 198676.3 177161.08 85205.19 145563.3 153980.42 Uridine diphosphate glucose_C13-label-8 0 632.48 0 99347.75 130230.77 84909.8 79078.54 88519.22 90849.16 101117.02 69682.44 85803.52 72264.21 77112.13 61883.51 68782.34 76444.18 99232.34 68128.27 72913.41 111244.62 46924.52 65751.88 55909.56 25536.5 41099.37 46271.4 Uridine diphosphate glucose_C13-label-9 395.34 311.34 0 8176.66 11860.34 7682.57 8639.02 8376.83 8205.6 9363.57 7011.6 6954.71 7275.06 7814.04 4748.13 4826.13 7987 10366.89 8021.65 7839.7 10525.13 4373.37 8723.4 6279.74 3026.59 5882.35 5263.17 Adenosine monophosphate_C12 PARENT 255965.38 176943 225327.83 28185.14 29665.83 35753.87 31845.24 33602.86 36573.23 29349.48 20653.6 16889.01 114918.84 103240.26 72628.84 83176.55 64767.78 85162.54 26790.73 10686.55 16225.1 298631.16 185061.2 178165.23 177434.83 130180.48 151235.62 Adenosine monophosphate_C13-label-1 23891.9 19471.51 23026.77 5178.7 4362.43 5784.82 4030.86 3331.39 5927.59 4494.05 3236.69 3458.68 14992.25 16161.3 11170.2 11792.75 9812.75 12366.25 3859.27 1750.58 3584.42 40086.27 26456.91 23920.91 21681.37 15767.32 22727.92 Adenosine monophosphate_C13-label-10 2243.14 1329.21 1135.66 0 0 0 0 0 0 0 373.23 0 0 510.49 83.2 0 319.56 0 366.09 0 0 0 0 229.47 0 0 104.45 Adenosine monophosphate_C13-label-2 1482.49 1397.66 586.36 1766.48 1514.34 1815.35 2767.01 2420.4 2371.61 1922.28 622.76 1066.66 6801.19 5396.08 3304.85 4139.05 2640.84 5002.02 1297.95 454.07 1356.7 10290.15 6603.54 6890.42 5962.71 4218.12 4579.31 Adenosine monophosphate_C13-label-3 0 220.66 0 3962.1 2805.84 4566.19 4059.49 3178.49 4239.56 4132.34 3183.38 2846.88 14942.18 13561.62 8979.83 10410.77 9025.7 10950.3 3651.98 443.46 2300.16 29456.48 13080.14 14890.52 10475.06 8407.77 11151.52 Adenosine monophosphate_C13-label-4 0 0 0 4799.05 3838.3 5135.13 3232.51 4208.81 4785.45 5212 3108.19 3011.55 13150.12 12668 8906.42 11378.07 8114.47 8103.47 4823.04 1114.33 2272.37 21724.4 13171.6 13704.89 9017.96 6444.68 8141.16 Adenosine monophosphate_C13-label-5 2084.15 994.2 889.32 106531.12 80618.27 98396.34 105407.9 109081.99 116949.2 69834.7 48939.54 42394.64 192486.95 186206.14 129864.16 154776.27 117078.19 142961.86 110555.75 31643.33 47682.76 432812.41 196255.98 224679.8 205327.73 142244.67 175696.64 Adenosine monophosphate_C13-label-6 1510.13 2068.54 1337.35 106929.13 84005.73 104674.6 77279.51 77601.05 73336.05 70846.87 47075.74 43969.41 163155.61 145471.58 102685.41 125706.44 93012.21 114252.56 85440.88 29628.19 46195.7 226809.73 141533.92 136259.98 106906.41 84897.56 105206.1 Adenosine monophosphate_C13-label-7 728.97 1130.22 844.16 56844.29 44424.97 60658.11 32303.14 37100.86 33866.17 36659.37 27994.04 23904.24 82262.65 72830.02 49089.09 69911.55 54077.7 65975.6 42512.81 13283.18 25335.28 103825.3 79316.16 72538.55 44265.97 33547.86 49195.18 Adenosine monophosphate_C13-label-8 318.11 0 0 25615.28 23189.88 30717.61 14338.45 16318.5 14932.6 17863.39 13398.24 10858.81 43490.47 39271.36 26004.89 31561.73 28701.59 31826.47 16983.67 5439.83 12944.15 45698.76 38929.32 35464.01 19514.42 15215.29 17838.73 Adenosine monophosphate_C13-label-9 2442.11 2185.28 2635.21 7708.18 5012.19 10731.22 2990.33 4534.46 3634.25 6998.3 5733.47 5187.36 12123.45 10441.04 6285.29 9378.86 7477.97 10381.26 4621.32 1814.54 2328.23 10070.27 10427.37 9287.59 2867.74 3159.95 5682.99 Deoxyuridine monophosphate_C12 PARENT 24186.27 25410.21 27251.72 13390.99 20995.58 16212.85 12378.4 16652.23 12969.55 5933.82 4210.82 4988.37 15968.64 16539.37 11384.93 16508.6 10260.48 14033.67 4945.89 5207.37 5699.8 5284.76 7260.95 6496.59 4023.99 6563.09 6519.75 Fructose 6-phosphate_C12 PARENT 79749.72 37291.38 56876.64 11531.61 16595.8 7456.71 7686.86 8129.88 8257.26 12739.54 8645.16 9377.07 18277.18 16559.88 11365.34 9908.34 8189.79 12724.04 8305.17 9976.35 10618.69 4404.5 9390.1 7778.24 3887.69 6127.5 6733.99 Fructose 6-phosphate_C13-label-6 532.61 460.04 634.78 158581.92 191424.52 123514.85 84529.81 85858.12 88341.98 158306.62 106349.21 149745.08 190798.8 171840.84 144423.25 180738.12 173256.83 280924.09 137145.11 140641.23 202501.45 155985.56 244301.92 197991.12 109100.4 168304.09 195164.67 Guanosine monophosphate_C12 PARENT 5151.8 3624.28 6488.91 2286.87 2457.76 823.64 404.45 765.82 456.79 619.38 343.67 818.01 4206.62 2434.82 2570.57 2151.55 1654.22 2463.49 1161.3 361.19 1247.78 14336.44 14798.25 12335.65 8791.45 10187.17 11405.79 Ribulose 5-phosphate_C12 PARENT 50211.91 42236.82 47128.95 1922.91 4228.61 1620.9 892.89 900.33 1618.89 4865.02 2466.38 3295.36 2780.83 2913.25 3401.67 2376.87 2986.94 3672.69 1550.31 1824.19 2147.38 1016.84 3509.52 3344.32 1197.58 2124.75 2376.62 Ribulose 5-phosphate_C13-label-1 2990.96 1864.61 1988.09 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Ribulose 5-phosphate_C13-label-2 0 0 407.75 1664.67 2358.98 1547.03 595.67 1081.76 1124.29 3337.89 814.52 3116.67 0 0 404.2 1318 868.32 2416.92 3483.85 2880.88 4410.33 4866.07 3696.53 2904.56 3158.12 5052.59 5471.27 Ribulose 5-phosphate_C13-label-3 176.4 0 0 3432.18 4534.69 2183.49 933.42 1006.21 524.7 6704.86 2842.15 5754.53 1943.22 2297.85 3443.23 4272.85 4962.81 11675.25 3949.05 4714.98 4913.36 9326.05 10972.51 13312.93 4746.23 7388.83 12267.4 Ribulose 5-phosphate_C13-label-4 350.15 0 0 2468.33 3554.1 2453.42 803.17 799.57 1303 3097.73 1955.32 2050.73 830.75 395.54 858.88 2090.81 2366.66 4436.69 3272.69 3176.39 3240.3 4153.29 6375.59 5781.08 2077.33 3248.4 4464.47 Ribulose 5-phosphate_C13-label-5 361.53 428.24 0 145233.3 221134.44 135030.53 39142.78 40203 70321.04 213833.36 123835.69 209867.75 27162.66 35519.63 47533.92 132893.72 160381.05 297898.25 165519.89 176347.88 229623.19 219253.05 273499.5 256410.62 144766.39 238849.23 292849.5 S-Adenosylhomocysteine_C12 PARENT 433314 310497.09 336833.81 79318.06 158945.89 136074.39 41607.8 34042.14 22402.11 68696.88 48292.18 43556.83 56831.89 34402.67 27664.65 107806.94 86292.85 91984.15 225595.45 257620.67 342151.25 101912.09 231497.25 329329.12 110388.78 207049.98 128555.54 S-Adenosylhomocysteine_C13-label-1 54442.32 40242.51 40174.98 15423.92 33235.64 27209.66 4416.55 5241.85 2544.39 11312.03 8129.34 4693.15 6876.76 5080.85 2707.21 13159.02 11130.12 8908.03 53692.48 59452.25 80530.84 10544 24153.08 29481.1 13830.65 22811.33 14058.42 S-Adenosylhomocysteine_C13-label-10 13832.68 8383.6 11916.32 10069.19 12428.54 12051.52 11640.43 11974.7 9212.03 8617.38 9047.44 7649.78 9532.15 9940.17 9861.45 9235.59 9793.74 7068.31 7072.42 5637.49 7199.29 6728.72 10220.48 8057.4 7547.98 7751.35 11231.21 S-Adenosylhomocysteine_C13-label-11 2286.65 2119.05 3111.87 2761.38 1694.12 2208.57 1839.81 1651.98 1429.58 1227.6 1776.35 1122.97 1766.59 2409.28 1114.89 1743.84 1035.96 1311.47 583.91 1198.56 1000.33 893.28 2245.74 1658.41 1032.38 1632.74 1041.8 S-Adenosylhomocysteine_C13-label-2 3078.91 1574.59 2052.04 19697.01 37585.71 35187.59 3392.61 1328.34 1315.22 5624.02 3227.17 4997.6 1309.34 1908.88 509.32 3356.06 2463.25 2146.77 66582.25 68411.79 113891.35 2115.1 3155.56 4884.55 3083.51 3466.62 2367.56 S-Adenosylhomocysteine_C13-label-3 288.71 0 0 10987.14 16190.88 14994.99 3031.99 3232.45 1895.64 9230.17 4897.45 3174.09 4624.8 3727.24 3404.93 8056.62 6967.75 6304.45 29783.94 37874.71 50881.82 4747.73 4743.85 5841.49 5707.38 4780.95 3651.73 S-Adenosylhomocysteine_C13-label-4 1699.86 0 884.84 7362.12 11097.04 10133.34 6371.86 4338.29 2315.68 14236.56 7470.35 4896.28 5088.88 3488.66 3183.21 6422.39 5608.41 4831.33 15109.05 15128.35 19285.73 3564.97 4049.72 6204.7 5614.25 4725.7 3158.15 S-Adenosylhomocysteine_C13-label-5 0 0 320.31 111176.46 122191.35 97691.91 104355.97 93508.32 52033.97 134677.02 104138.79 47316.55 68382.87 49461.94 35954.99 93021.1 73089.35 59292 127806.29 80445.62 121291.24 63367.2 54628.82 87349.04 94722.7 101541.34 60480.66 S-Adenosylhomocysteine_C13-label-6 0 0 0 100927.95 127750.85 96122.3 82158.97 80996.79 32701.95 141276.45 106371.04 50411.07 51417.03 42975.98 29106.53 71198.46 60947.62 53493.52 102658.52 76627.78 105033.62 35758.96 43323.75 62057.22 57803.83 64517.51 33646.54 S-Adenosylhomocysteine_C13-label-7 266.79 917.19 723.7 58642.03 69143.65 54414.29 36113.03 39777.43 15307.64 79452.1 64287.96 30673.49 28116.15 23020.59 16297.55 45238.76 33170.69 25385.71 54542.23 38268.7 52576.11 17310.19 19171.96 31152.28 25389.87 30027.37 16515.17 S-Adenosylhomocysteine_C13-label-8 0 0 372.04 27890.59 35988.17 30329.1 18108.01 17507.79 6146.06 39166.78 31507.46 14653.33 15407.06 12169.64 8710.85 19743.33 17530.8 14248.61 25063.04 19192.68 28053.64 6556.01 12287.7 15278.86 8945.46 12449.66 7856.44 S-Adenosylhomocysteine_C13-label-9 739.73 385.84 532.94 12772 16097.2 15361.03 5653.91 6134.2 2538.99 15565.88 15271.65 5607.7 5467.03 3757.17 4191.61 8203.38 6313.87 6107.69 10803.72 6895.75 8914.94 2128.47 4933.33 4343.63 1659.41 4051.43 1841.72 Glucose 6-phosphate_C12 PARENT 53509 25258.3 33941.68 9791.8 15380.61 7528.68 14047.82 15420.82 19708.02 15578.64 11041.25 12632.31 15403.84 11974.42 12650.07 15865.2 14249.47 23127.42 9559.58 8665.48 16618.39 8481.52 13421.57 11375.52 10500.38 20455.25 21778.34 Glucose 6-phosphate_C13-label-6 0 472.31 693.64 248809.67 310422.66 213531.8 44867.99 39088.21 55712.13 208035.8 89592.12 160186.73 31507.54 33458.77 41939.1 109125.13 157568.14 264217.47 211985 212919.08 324506.62 267155.88 269259.88 244262.5 264471.09 361658.41 412193.66 Taurodeoxycholic acid_C12 PARENT 44084.16 21468.09 20149.51 11336.77 12528.32 22004.95 46639.3 27551.77 20886.41 27512.94 31575.07 25403.07 16200.19 15457.68 17086.4 18720.79 12991.48 10910.31 15816.43 12215.63 19163.84 16582.83 22217.98 14023.69 19803.95 22496.31 17192.87 Taurodeoxycholic acid_C13-label-1 12165.12 6073.67 4951.12 4237.31 3387.03 5726.97 12018.84 6923.9 5644.31 8831.75 10801.01 7258.16 6153.72 5553.52 4774.27 6853.6 3616.6 4381.92 3894.04 3185 4251.75 3906.35 6123.67 2552.72 5767.1 5733.81 6220.66 Uridine diphosphate-N-acetylglucosamine_C12 PARENT 11700528 10245939 9737187 4445498.5 4707022 3957155 4160168 4382610.5 4050311.25 5453885 4900449.5 4030686.75 5451780 5611114.5 4951886.5 4847352 4333487 5210968.5 3572796 3759764 4115885 4094391.25 6507334.5 5305818 3662818.75 4837394.5 4828593.5 Uridine diphosphate-N-acetylglucosamine_C13-label-1 2360406.75 2036387 2043426.62 798452.25 859605.81 762239 760341.5 809310.56 733823 1028229.56 877786 759881.81 1043540.25 1012961.25 933878.81 902411 821707.75 988791.56 684130.81 708910.06 772679.75 777961 1230065.75 985398.69 677010.31 910911.25 917402.19 Uridine diphosphate-N-acetylglucosamine_C13-label-10 0 0 0 225024.86 232345.73 208149.19 209028.33 223309.2 197980.67 245567.23 243202.42 202882.33 39489.48 45911.53 41734.3 48015.52 41976.45 48745.43 172961.98 181997.05 211694.8 18766.52 25831.75 25612.48 15681.61 23678.08 22816.67 Uridine diphosphate-N-acetylglucosamine_C13-label-11 0 0 0 59120.86 62086.61 52587.03 78715.4 82467.42 79844.6 100625.59 84248.5 84734.34 68576.57 72639.03 57039.71 76392.15 61838.64 77244.09 50884.51 55031.07 71067.94 95739.32 121143.38 106539.66 100717.66 136003.39 122901.71 Uridine diphosphate-N-acetylglucosamine_C13-label-12 0 0 0 21855.78 18513.08 16807.54 28264.86 28662.73 25791.26 19119.51 20471.07 17032.69 6088.72 7251.18 4910.34 7289.74 8133.02 9212.6 18457.02 22747.68 20061.55 8993.7 10780.71 9241.7 9243.8 14015.08 11964.72 Uridine diphosphate-N-acetylglucosamine_C13-label-13 0 0 0 127197.48 147370.67 115296.87 158582.52 181930.12 162505.7 241902.23 201495.55 175425.94 24510.49 24258.98 25231.16 33499.11 33520.51 38867.39 127712.74 124041.55 140698.78 35371.72 47764.89 41992.12 44968.43 60043 52857.42 Uridine diphosphate-N-acetylglucosamine_C13-label-14 0 0 0 42817.31 43522.42 34834.37 53221.36 55624.96 49301.82 36043.03 37142.85 30493.12 11277.91 10917 9585.71 15156.46 14036.55 19307.91 35292.52 42959.89 45693.45 12649.23 10867.24 11311.42 16001.17 23331.69 19021.04 Uridine diphosphate-N-acetylglucosamine_C13-label-15 0 0 0 33508.22 42605.23 33267.02 49741.45 54391.79 45895.59 76876.18 63728.58 63669.03 3731 4020.48 3090.73 5072.14 5401.1 7427.48 37948.54 40923.68 41770.67 4357.28 5420.14 4420.58 6215.05 7102.95 7575.32 Uridine diphosphate-N-acetylglucosamine_C13-label-16 0 0 0 20852.85 21133.68 16752.91 28256.38 31997.78 22444.9 37877.52 30096.26 25841.98 2606.83 2734.3 2506.07 3100.02 2659.19 4706.64 20314.6 24463.43 23478.99 1973.32 3614.42 2198.6 4856.51 4479.67 5087.11 Uridine diphosphate-N-acetylglucosamine_C13-label-17 0 0 0 1963.41 1112.89 821.46 814.84 2052.47 1175.68 3209.07 1365.78 2999.94 576.19 0 0 680.16 564.74 0 671.05 559.01 741.47 0 0 581.31 0 0 0 Uridine diphosphate-N-acetylglucosamine_C13-label-2 598172.5 493615.59 513143.16 287324.53 297261.53 254602.98 311547.09 326466 276125.72 366350.22 346767.78 283379.53 278972.06 249810.88 243179.95 247745.05 210784.3 266518.81 230213.75 238904.19 294840.34 225886.55 341591.84 266755.44 174225.23 252158.95 271085.91 Uridine diphosphate-N-acetylglucosamine_C13-label-3 76993.29 62549.83 66074.59 38817.48 39108.33 36251.25 43119.32 41429.93 40848.09 50643.34 42369.34 40048.72 39293.15 43700.42 35495.68 40256.88 31751.72 34735.67 36308.92 34181.66 42862.86 34920.16 51034.01 43426.07 23363.45 37422.6 36786.17 Uridine diphosphate-N-acetylglucosamine_C13-label-4 6559.8 4858.17 4934.33 13911.02 15631.06 15191.08 20112.65 21180.68 17674.64 18668.99 18810.98 17696.73 13804.7 17754.5 15259.29 16509.52 16678.62 17794.33 14273.44 16735.13 19619.56 13020.08 17111.2 16453.44 11033 15994.15 15094.88 Uridine diphosphate-N-acetylglucosamine_C13-label-5 455.76 407.24 896.16 145748.61 150843.81 129515.97 175805.5 174024.25 167293.67 216793.17 189612.83 166056.36 161665.64 167252.11 146083.8 173695.27 156933.95 187831.06 141977.98 139821.12 161409.98 195135.17 323619.03 244449.75 201329.14 282187.75 271850.38 Uridine diphosphate-N-acetylglucosamine_C13-label-6 0 0 474.35 2504321.75 2564557 2359904.25 2844593.25 2999462 2877690 3135336.25 2696336.75 2394976.5 5131401.5 4760846.5 4811256 5386367.5 5043156 5863582 2242385 2265571.75 2545801.25 2427072.25 2620434 2772505 2306193.25 3122292.75 3053174.25 Uridine diphosphate-N-acetylglucosamine_C13-label-7 0 0 0 542215.5 576642.69 503485.84 597898.56 640737.69 601225.06 639239.44 559214.56 481567.75 676106 692244.44 636753.5 698807.56 668910.69 788636.25 473891.78 483782.41 547958.19 383760.09 380415.41 383201.03 348657.25 439891.09 429933.78 Uridine diphosphate-N-acetylglucosamine_C13-label-8 474.22 646.57 2115.69 5967492.5 6327984 5571698.5 5657833.5 6024958.5 5432134.5 6484345.5 6202504 5219118 1406869.38 1504406.38 1225716.25 1629827.12 1432116.62 1780650.38 4779866.5 5097428.5 5782008 890789.75 905616 969843 713584.31 958809.44 977527.75 Uridine diphosphate-N-acetylglucosamine_C13-label-9 0 0 0 604531.44 641162.06 590586.56 571211.38 623995.25 559434.75 664636.81 625935.81 554166.81 125746.38 122029.79 121505.75 147088.39 135984.81 156108.67 530037.81 504903.22 602343.5 73198.55 85093.85 81060.45 51038.42 79556.72 81434.1 Carnosine_C12 PARENT 12779.78 11744.21 10514.69 3718 3608.34 5400.91 3746.41 3395.65 2520.32 4528.83 4874.04 3739.63 5846.83 6966.94 4132.03 6742.33 6000.86 3523.6 2586.61 1499.15 3094.68 3610.02 5060.15 4738.32 4140.41 4452.27 4439.94 Deoxycholic acid glycine conjugate_C12 PARENT 46903.17 20887.03 18409.78 13064.46 16219.73 18696.91 43770.61 25966.74 24132.57 26023.64 30581.59 27044.6 19114.88 15299.38 18662.82 22140.03 13579.16 14111.1 15937.26 13757.15 18518.83 15788.08 24949.26 13921.34 16948.97 22084.81 21359.51 Deoxycholic acid glycine conjugate_C13-label-1 12246.3 5369.64 4945.18 3212.19 4065.91 6784.85 11021.42 7133.44 5536.71 9135.93 10192.47 7837.95 6566.09 4183.18 5014.64 5871.25 4468.88 3782.64 4673.77 3400.1 5990.66 4967.48 5964.18 3364.37 6244.38 6384.71 6074.98 Linoleic acid_C12 PARENT 40438.04 22714.17 34591.25 40334.03 24444.73 26344.62 40451.59 33185.04 22306.04 53096.54 24196.91 72153.16 53044.78 52440.41 60853.16 58579.23 41927.76 30591.17 25846.26 36017.93 104204.1 57275.24 58204.41 45882.45 47255.73 41081.21 37567.32 Linoleic acid_C13-label-1 7227.19 5326.58 6879.16 7750.37 6174.8 6500.78 6958.97 7722.55 3517.35 10628.37 4733.67 12898.96 9835.74 8934.36 11997.92 12025.05 7585.66 5223.98 4287.86 6780.3 17691.65 7379.1 11380.8 7949.6 7852.3 7110.2 8562.48 Oleic acid_C12 PARENT 497223.88 218298.23 335529.41 247689.69 226313.05 256823.69 312569.78 233722.23 149782.61 387025.34 224349.92 429619.72 334887.72 283867.84 394174.53 484611 234889.98 250446.17 225951.42 257997.58 527564.38 269811.84 424978.91 286186.88 237765.05 223472.02 228212.38 Oleic acid_C13-label-1 87666.38 42891.54 62959.42 48575.45 41649.47 46391.23 57865.77 47680.58 35808.28 62209.55 43507.41 92527.12 64978.48 52782.5 67991.01 90042.23 44296.12 44440.11 37905.94 38634.21 95821.26 75761.57 87829.55 54802.05 43743.55 40813.08 41154.77 Oleic acid_C13-label-2 11325.36 5093.94 4885.27 21910.97 20067.11 27342.68 22658.2 13500.81 15123.4 22291.4 21730.91 32758.79 18755.15 16640.8 18594.34 22409.76 12632.39 11957.58 17588.83 19372.7 30189.32 15254.41 19285.21 13050.3 7928.75 8045.39 8548.62 Undecanedioic acid_C12 PARENT 5024.75 3554.37 8581.43 3559.01 2103.3 4669.26 6200.87 3848.73 8193.8 3642.25 8274.48 8276.73 5675.53 3883.74 4772.74 11156.68 4546.06 6922.47 1305.68 1720.58 6189.72 5457.17 5759.78 5175.67 3059.42 3037.1 5143.71 Sebacic acid_C12 PARENT 8318.02 5926.47 10699.48 6649.2 7705.84 6496.75 8370.81 15953.49 14025.13 4035.04 8406.88 19106.57 12778.93 4151.21 6323.36 35308.95 5315.3 6158.74 8229.42 6455.27 9942.44 10260.26 6434.38 6106.34 2120.27 22468.85 10009.87 Erucic acid_C12 PARENT 15809.1 6659.8 6034.35 5955.07 3437.11 7923.21 5346.55 4374.49 4476.68 4648.33 5627.01 11703.42 6256.62 5786.93 11124.97 8457.63 5681.41 5301.78 4179.39 3863.68 9624.65 10956.65 17289.57 7659.64 6177.59 5554 4224.44 Oxidized glutathione_C12 PARENT 3492504.75 4176208.75 3060306.25 1806016.5 1204632.38 806775 1688688.38 2431753 2439539 3084670.75 1134513.88 1171447.12 2299260.75 4522810.5 2373825.25 1477493.38 1774426.12 2412798 755162.19 1147129.12 1367312 1935510 726021.19 973033.19 482594.34 958194.31 1374759.12 Oxidized glutathione_C13-label-1 832215.69 965520.44 669721.19 454248.22 317613.12 204303.88 433522.59 637413.69 656020.69 727335.69 265150.78 247555.92 512530.75 1090442.62 533340.56 339003.91 415870.16 587018.06 207131.55 270263.5 341977.78 445322.72 165000.64 215770.58 101363.19 214052.02 297463.5 Oxidized glutathione_C13-label-10 0 0 0 23489.73 16393.1 10241.63 15490.67 21595.71 21929.06 6541.73 2113.35 2741.43 0 0 0 0 0 0 10700.7 15710.69 17271.79 0 0 0 0 0 0 Oxidized glutathione_C13-label-11 0 418.59 0 10609.34 7375.01 5325.36 8190.7 12373.32 10588.48 2817.01 542.71 767.19 0 0 0 0 338.65 0 3383.7 8001.11 8459.67 0 0 0 0 0 0 Oxidized glutathione_C13-label-12 0 0 0 4537.96 1912.54 1558.97 1943.38 2823.76 2482.55 610.52 0 454.76 0 0 0 0 0 0 470.35 1500.64 2583.5 0 0 0 0 0 0 Oxidized glutathione_C13-label-2 123774.2 149123.28 102102.73 1631935.12 1064854.12 752424.5 1271622.62 1890310 1815834.88 1994714 758629.56 718863.69 1350632.12 2440652 1341942.62 991603 1177871.38 1598050.38 667472.94 996932 1202013.88 1080594.38 518486.25 636455.19 230223.64 505363.59 743781.5 Oxidized glutathione_C13-label-3 17189.05 17400.7 14207.39 555824.88 376882.34 257615.05 459768.09 667504.56 662859.94 432773.09 163702.84 160605.8 269679.59 513922.66 266254.34 191810.45 248524.33 345910.09 225358.86 344337.47 404273.59 221955.5 101177.34 118287.65 41938.05 95681.66 150718.61 Oxidized glutathione_C13-label-4 1963.25 2953.42 3091.12 915521.75 613344 450904.5 634333.75 1007070.25 972600.56 713022.69 275360.84 258790.67 215204.67 431746.75 214597.2 180460.95 219074.81 328643.81 386480.75 571138 661987.19 178088.58 103862.99 106111.21 27851.55 72509.93 118565.27 Oxidized glutathione_C13-label-5 492.97 0 1669.13 446798.09 306843.69 201658.42 354042 530360.44 534455.31 238755.42 93342.88 85251.7 40811.29 83013.98 43008.39 40842.18 47940.82 66687.49 199365.8 285250.12 340748.41 30957.23 23082.66 23402.85 6371.91 15218.13 22719.24 Oxidized glutathione_C13-label-6 0 0 914.7 357893.09 242237.42 160292.45 249841.3 376928.91 360527.66 217131.52 74581.52 73588.18 11253.66 21535.04 10604.43 13601.06 16928.91 20262.7 144660.86 213800.3 254547.5 9735.47 6317.57 6236.53 1878.08 4954.51 5795.02 Oxidized glutathione_C13-label-7 455.38 0 477.69 190027.48 131121.73 85708.91 141270.3 237708.33 214391.48 95753.54 31280.34 31833.38 4362.86 6626.46 5936.15 6079.2 6690.74 10253.87 83105.34 135081.2 147390.61 3276.86 2382.24 1169.78 684.51 2361.24 2818.19 Oxidized glutathione_C13-label-8 0 0 0 105820.9 71140.66 49927.63 68677.25 101760.56 96648.65 43935.83 15101.28 17454.03 1266.72 1259.59 1609.36 1705.55 610.81 3574.08 45439.5 61532.19 72264.91 967.37 0 432.89 0 376.51 376.93 Oxidized glutathione_C13-label-9 0 0 0 52172.86 37292.97 27407.16 35789.64 57241.28 54482.14 19917.52 6408.91 7331.02 0 943.91 397.33 1289.65 1589.33 776.68 23591.99 33921.64 41313.07 0 511.82 0 338.46 0 0 Ribothymidine_C12 PARENT 20691.24 5625.75 9003.68 3340.77 2981.73 7333.07 10253.66 3581.7 4527.6 4860.94 8338.98 6806.58 9779.84 4781.08 6954.8 9184.18 2398.1 5815.48 2254.79 2900.15 7840.09 4131.18 7672.81 4301.36 1668.42 1406.9 3850.86 Ribothymidine_C13-label-1 2853.38 591.34 566.68 826.42 2147.22 4590.02 2409.9 899.45 983.53 2253.57 3257.47 2974.75 4946.42 783.32 2627.78 3354.18 546.07 2045.61 1221.99 959.46 2844.21 860.94 3545.53 1047.8 0 391.65 1455.56 Arachidic acid_C12 PARENT 34859.89 12878.13 12141.48 18029.98 13730.45 18231.73 27985.79 24262.88 15839.39 20311.44 15332.31 28779.85 16532.02 13755.17 25637.83 20112.2 16689.95 21025.09 17691.73 13751.24 33547.68 25843.85 17763.69 10311.69 15171.96 10508.92 8879.36 Arachidic acid_C13-label-1 7753.66 3625.72 3393.55 4504.17 4719.8 2968.26 5765.98 4282.39 3787.53 3855.93 3487.6 8424.5 4104.99 2051.96 5641.1 5910.96 4261.48 3429.34 4629.92 3657.12 6257.35 7969.62 4567.77 1790.93 2904.46 1477.76 1329.85 Behenic acid_C12 PARENT 34408.15 13017.02 11161.02 13887.34 14826.48 18617.88 21806.9 14260.32 12470.96 15921.24 16549.15 32475.76 9892.5 11868.93 23265.93 14813.32 15430.95 12452.52 16019.38 11586.67 28810.69 22656.99 19273.2 11250.67 12238.02 7231.76 9033.9 Behenic acid_C13-label-1 8170.76 4182.94 2453.87 4956.39 3384.19 3720.65 4970.81 3341.33 3729.08 3681.71 4267.71 6045.08 4151.42 2686.03 4304.33 2133.03 2753.38 2566.13 2255.38 1016.68 4900.88 3685.1 1947 2080.41 3289.81 1221.19 370.81 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name HMDB ID 2-Phenylglycine_C12 PARENT HMDB0002210 2-Phenylglycine_C13-label-1 HMDB0002210 2-Phenylglycine_C13-label-3 HMDB0002210 3,4-Dihydroxybenzeneacetic acid_C12 PARENT HMDB0001336 4-Hydroxyproline_C12 PARENT HMDB0000725 Adenine_C12 PARENT HMDB0000034 Adenine_C13-label-1 HMDB0000034 Adenine_C13-label-2 HMDB0000034 Adenine_C13-label-3 HMDB0000034 Arginine_C12 PARENT HMDB0000517 Arginine_C13-label-1 HMDB0000517 Citrulline_C12 PARENT HMDB0000904 Citrulline_C13-label-1 HMDB0000904 Cystathionine_C12 PARENT HMDB0000099 Cystathionine_C13-label-1 HMDB0000099 Cystathionine_C13-label-2 HMDB0000099 Cystathionine_C13-label-3 HMDB0000099 Cystathionine_C13-label-4 HMDB0000099 Cystathionine_C13-label-5 HMDB0000099 Cytidine_C12 PARENT HMDB0000089 Cytidine_C13-label-1 HMDB0000089 D-2-Hydroxyglutaric acid_C12 PARENT HMDB0000606 D-2-Hydroxyglutaric acid_C13-label-1 HMDB0000606 D-2-Hydroxyglutaric acid_C13-label-2 HMDB0000606 D-2-Hydroxyglutaric acid_C13-label-3 HMDB0000606 D-2-Hydroxyglutaric acid_C13-label-4 HMDB0000606 D-2-Hydroxyglutaric acid_C13-label-5 HMDB0000606 D-Lactic acid_C12 PARENT HMDB0001311 D-Lactic acid_C13-label-1 HMDB0001311 D-Lactic acid_C13-label-2 HMDB0001311 D-Lactic acid_C13-label-3 HMDB0001311 Deoxycytidine_C12 PARENT HMDB0000014 Deoxyuridine_C12 PARENT HMDB0000012 Fumaric acid_C12 PARENT HMDB0000134 Fumaric acid_C13-label-1 HMDB0000134 Fumaric acid_C13-label-2 HMDB0000134 Fumaric acid_C13-label-3 HMDB0000134 Fumaric acid_C13-label-4 HMDB0000134 Glutamic acid_C12 PARENT HMDB0000148 Glutamic acid_C13-label-1 HMDB0000148 Glutamic acid_C13-label-2 HMDB0000148 Glutamic acid_C13-label-3 HMDB0000148 Glutamic acid_C13-label-4 HMDB0000148 Glutamic acid_C13-label-5 HMDB0000148 Glutamine_C12 PARENT HMDB0000641 Glutamine_C13-label-1 HMDB0000641 Glutamine_C13-label-2 HMDB0000641 Glutamine_C13-label-3 HMDB0000641 Glutamine_C13-label-4 HMDB0000641 Glutamine_C13-label-5 HMDB0000641 Glycerol_C12 PARENT HMDB0000131 Glycerol_C13-label-3 HMDB0000131 Glycine_C12 PARENT HMDB0000123 Glycine_C13-label-1 HMDB0000123 Glycine_C13-label-2 HMDB0000123 Leucine_C12 PARENT HMDB0000687 Leucine_C13-label-1 HMDB0000687 Leucine_C13-label-2 HMDB0000687 Lysine_C12 PARENT HMDB0000182 Lysine_C13-label-1 HMDB0000182 Methionine_C12 PARENT HMDB0000696 Methionine_C13-label-1 HMDB0000696 Methionine_C13-label-2 HMDB0000696 Methionine_C13-label-3 HMDB0000696 Methionine_C13-label-4 HMDB0000696 Myristic acid_C12 PARENT HMDB0000806 Myristic acid_C13-label-1 HMDB0000806 Myristic acid_C13-label-2 HMDB0000806 Orotic acid_C12 PARENT HMDB0000226 Orotic acid_C13-label-1 HMDB0000226 Orotic acid_C13-label-2 HMDB0000226 Orotic acid_C13-label-3 HMDB0000226 Oxoglutaric acid_C12 PARENT HMDB0000208 Oxoglutaric acid_C13-label-1 HMDB0000208 Oxoglutaric acid_C13-label-2 HMDB0000208 Oxoglutaric acid_C13-label-3 HMDB0000208 Oxoglutaric acid_C13-label-4 HMDB0000208 Oxoglutaric acid_C13-label-5 HMDB0000208 Phosphoenolpyruvic acid_C12 PARENT HMDB0000263 Phosphoenolpyruvic acid_C13-label-2 HMDB0000263 Phosphoenolpyruvic acid_C13-label-3 HMDB0000263 Proline_C12 PARENT HMDB0000162 Proline_C13-label-1 HMDB0000162 Proline_C13-label-2 HMDB0000162 Proline_C13-label-3 HMDB0000162 Proline_C13-label-4 HMDB0000162 Proline_C13-label-5 HMDB0000162 Ribose 5-phosphate_C12 PARENT HMDB0001548 Ribose 5-phosphate_C13-label-1 HMDB0001548 Ribose 5-phosphate_C13-label-2 HMDB0001548 Ribose 5-phosphate_C13-label-3 HMDB0001548 Ribose 5-phosphate_C13-label-4 HMDB0001548 Ribose 5-phosphate_C13-label-5 HMDB0001548 Taurine_C12 PARENT HMDB0000251 Taurine_C13-label-1 HMDB0000251 Threonine_C12 PARENT HMDB0000167 Threonine_C13-label-1 HMDB0000167 Threonine_C13-label-2 HMDB0000167 Uridine_C12 PARENT HMDB0000296 Uridine_C13-label-1 HMDB0000296 Valine_C12 PARENT HMDB0000883 Valine_C13-label-1 HMDB0000883 Valine_C13-label-2 HMDB0000883 Valine_C13-label-5 HMDB0000883 cis-Aconitic acid_C12 PARENT HMDB0000072 cis-Aconitic acid_C13-label-1 HMDB0000072 cis-Aconitic acid_C13-label-2 HMDB0000072 cis-Aconitic acid_C13-label-3 HMDB0000072 cis-Aconitic acid_C13-label-4 HMDB0000072 cis-Aconitic acid_C13-label-5 HMDB0000072 cis-Aconitic acid_C13-label-6 HMDB0000072 3-Phosphoglyceric acid_C12 PARENT HMDB0000807 Asparagine_C12 PARENT HMDB0000168 Asparagine_C13-label-1 HMDB0000168 Asparagine_C13-label-2 HMDB0000168 Asparagine_C13-label-3 HMDB0000168 Asparagine_C13-label-4 HMDB0000168 Aspartic acid_C12 PARENT HMDB0000191 Aspartic acid_C13-label-1 HMDB0000191 Aspartic acid_C13-label-2 HMDB0000191 Aspartic acid_C13-label-3 HMDB0000191 Aspartic acid_C13-label-4 HMDB0000191 Citric acid_C12 PARENT HMDB0000094 Citric acid_C13-label-1 HMDB0000094 Citric acid_C13-label-2 HMDB0000094 Citric acid_C13-label-3 HMDB0000094 Citric acid_C13-label-4 HMDB0000094 Citric acid_C13-label-5 HMDB0000094 Citric acid_C13-label-6 HMDB0000094 Cysteic acid_C12 PARENT HMDB0002757 Dodecanoic acid_C12 PARENT HMDB0000638 Dodecanoic acid_C13-label-1 HMDB0000638 Glycerol 3-phosphate_C12 PARENT HMDB0000126 Glycerol 3-phosphate_C13-label-1 HMDB0000126 Glycerol 3-phosphate_C13-label-2 HMDB0000126 Glycerol 3-phosphate_C13-label-3 HMDB0000126 Isoleucine_C12 PARENT HMDB0000172 Isoleucine_C13-label-1 HMDB0000172 Malic acid_C12 PARENT HMDB0000156 Malic acid_C13-label-1 HMDB0000156 Malic acid_C13-label-2 HMDB0000156 Malic acid_C13-label-3 HMDB0000156 Malic acid_C13-label-4 HMDB0000156 N-Acetylglutamine_C12 PARENT HMDB0006029 N-Acetylglutamine_C13-label-1 HMDB0006029 N-Acetylglutamine_C13-label-2 HMDB0006029 N-Acetylglutamine_C13-label-3 HMDB0006029 Oxalic acid_C12 PARENT HMDB0002329 Oxalic acid_C13-label-1 HMDB0002329 Serine_C12 PARENT HMDB0000187 Serine_C13-label-1 HMDB0000187 Serine_C13-label-2 HMDB0000187 Serine_C13-label-3 HMDB0000187 Succinic acid_C12 PARENT HMDB0000254 Succinic acid_C13-label-1 HMDB0000254 Succinic acid_C13-label-2 HMDB0000254 Succinic acid_C13-label-3 HMDB0000254 Succinic acid_C13-label-4 HMDB0000254 Tyrosine_C12 PARENT HMDB0000158 Tyrosine_C13-label-1 HMDB0000158 Tyrosine_C13-label-2 HMDB0000158 Alanine_C12 PARENT HMDB0000161 Alanine_C13-label-1 HMDB0000161 Alanine_C13-label-2 HMDB0000161 Alanine_C13-label-3 HMDB0000161 Aminoadipic acid_C12 PARENT HMDB0000510 Maleic acid_C12 PARENT HMDB0000176 Maleic acid_C13-label-1 HMDB0000176 Phosphoserine_C12 PARENT HMDB0000272 Phosphoserine_C13-label-1 HMDB0000272 Phosphoserine_C13-label-2 HMDB0000272 Phosphoserine_C13-label-3 HMDB0000272 Pyruvic acid_C12 PARENT HMDB0000243 Pyruvic acid_C13-label-1 HMDB0000243 Pyruvic acid_C13-label-2 HMDB0000243 Pyruvic acid_C13-label-3 HMDB0000243 Ribitol_C12 PARENT HMDB0000508 Ribitol_C13-label-1 HMDB0000508 Ribitol_C13-label-3 HMDB0000508 Ribitol_C13-label-4 HMDB0000508 Ribitol_C13-label-5 HMDB0000508 Sorbitol_C12 PARENT HMDB0000247 Sorbitol_C13-label-1 HMDB0000247 Sorbitol_C13-label-6 HMDB0000247 Tartaric acid_C12 PARENT HMDB0000956 Tartaric acid_C13-label-1 HMDB0000956 Capric acid_C12 PARENT HMDB0000511 Capric acid_C13-label-1 HMDB0000511 Caproic acid_C12 PARENT HMDB0000535 Caproic acid_C13-label-1 HMDB0000535 Caprylic acid_C12 PARENT HMDB0000482 Caprylic acid_C13-label-1 HMDB0000482 Glucose_C12 PARENT HMDB0000122 Glucose_C13-label-1 HMDB0000122 Isocitric acid_C12 PARENT HMDB0000193 Isocitric acid_C13-label-1 HMDB0000193 Isocitric acid_C13-label-2 HMDB0000193 Isocitric acid_C13-label-3 HMDB0000193 Isocitric acid_C13-label-4 HMDB0000193 Isocitric acid_C13-label-5 HMDB0000193 Isocitric acid_C13-label-6 HMDB0000193 Pantothenic acid_C12 PARENT HMDB0000210 Pantothenic acid_C13-label-1 HMDB0000210 Pantothenic acid_C13-label-2 HMDB0000210 Phenylalanine_C12 PARENT HMDB0000159 Phenylalanine_C13-label-1 HMDB0000159 Phenylalanine_C13-label-2 HMDB0000159 Tryptophan_C12 PARENT HMDB0000929 Tryptophan_C13-label-1 HMDB0000929 Tryptophan_C13-label-2 HMDB0000929 Xanthine_C12 PARENT HMDB0000292 Xanthine_C13-label-1 HMDB0000292 myo-Inositol_C12 PARENT HMDB0000211 myo-Inositol_C13-label-1 HMDB0000211 myo-Inositol_C13-label-2 HMDB0000211 2-Hydroxy-3-methylbutyric acid_C12 PARENT HMDB0000407 2-Hydroxybutyric acid_C12 PARENT HMDB0000008 3-Methyl-2-oxovaleric acid_C12 PARENT HMDB0000491 3-Methyl-2-oxovaleric acid_C13-label-1 HMDB0000491 3-Methyl-2-oxovaleric acid_C13-label-2 HMDB0000491 Methionine sulfoxide_C12 PARENT HMDB0002005 N-Acetylmethionine_C12 PARENT HMDB0011745 N-Acetylmethionine_C13-label-1 HMDB0011745 N-Acetylmethionine_C13-label-2 HMDB0011745 N-Acetylmethionine_C13-label-3 HMDB0011745 N-Acetylmethionine_C13-label-4 HMDB0011745 N-Acetylmethionine_C13-label-5 HMDB0011745 N-Acetylmethionine_C13-label-6 HMDB0011745 Butyric acid_C12 PARENT HMDB0000039 Butyric acid_C13-label-2 HMDB0000039 Glyceric acid_C12 PARENT HMDB0000139 N-Acetylglutamic acid_C12 PARENT HMDB0001138 N-Acetylglutamic acid_C13-label-1 HMDB0001138 N-Acetylglutamic acid_C13-label-2 HMDB0001138 N-Acetylglutamic acid_C13-label-3 HMDB0001138 N-Acetylglutamic acid_C13-label-4 HMDB0001138 N-Acetylglutamic acid_C13-label-5 HMDB0001138 N-Acetylglutamic acid_C13-label-6 HMDB0001138 N-Acetylglutamic acid_C13-label-7 HMDB0001138 Pyroglutamic acid_C12 PARENT HMDB0000267 Pyroglutamic acid_C13-label-1 HMDB0000267 Pyroglutamic acid_C13-label-2 HMDB0000267 Pyroglutamic acid_C13-label-3 HMDB0000267 Pyroglutamic acid_C13-label-4 HMDB0000267 Pyroglutamic acid_C13-label-5 HMDB0000267 N-Acetylalanine_C12 PARENT HMDB0000766 N-Acetylalanine_C13-label-1 HMDB0000766 N-Acetylalanine_C13-label-2 HMDB0000766 N-Acetylalanine_C13-label-3 HMDB0000766 N-Acetylalanine_C13-label-4 HMDB0000766 N-Acetylalanine_C13-label-5 HMDB0000766 Pyridoxine_C12 PARENT HMDB0000239 Pyridoxine_C13-label-1 HMDB0000239 Pyridoxine_C13-label-2 HMDB0000239 Malonic acid_C12 PARENT HMDB0000691 Malonic acid_C13-label-1 HMDB0000691 Malonic acid_C13-label-2 HMDB0000691 Pelargonic acid_C12 PARENT HMDB0000847 Pelargonic acid_C13-label-1 HMDB0000847 Pentadecanoic acid_C12 PARENT HMDB0000826 Pentadecanoic acid_C13-label-1 HMDB0000826 Phenol_C12 PARENT HMDB0000228 Phenol_C13-label-1 HMDB0000228 Succinic anhydride_C12 PARENT HMDB0032523 Succinic anhydride_C13-label-1 HMDB0032523 Succinic anhydride_C13-label-2 HMDB0032523 Ureidosuccinic acid_C12 PARENT HMDB0000828 Ureidosuccinic acid_C13-label-1 HMDB0000828 Ureidosuccinic acid_C13-label-2 HMDB0000828 Ureidosuccinic acid_C13-label-3 HMDB0000828 Ureidosuccinic acid_C13-label-4 HMDB0000828 3-Hydroxybutyric acid_C12 PARENT HMDB0000011 Hydroxykynurenine_C12 PARENT HMDB0000732 Itaconic acid_C12 PARENT HMDB0002092 Itaconic acid_C13-label-1 HMDB0002092 Itaconic acid_C13-label-2 HMDB0002092 Erythritol_C12 PARENT HMDB0002994 Erythritol_C13-label-1 HMDB0002994 Hypotaurine_C12 PARENT HMDB0000965 O-Phosphoethanolamine_C12 PARENT HMDB0000224 Hippuric acid_C12 PARENT HMDB0000714 Hippuric acid_C13-label-1 HMDB0000714 Coenzyme A_C12 PARENT HMDB0001423 Coenzyme A_C13-label-1 HMDB0001423 Coenzyme A_C13-label-2 HMDB0001423 Coenzyme A_C13-label-3 HMDB0001423 Coenzyme A_C13-label-4 HMDB0001423 Coenzyme A_C13-label-5 HMDB0001423 Coenzyme A_C13-label-6 HMDB0001423 Coenzyme A_C13-label-7 HMDB0001423 Coenzyme A_C13-label-8 HMDB0001423 Coenzyme A_C13-label-9 HMDB0001423 Glycerophosphocholine_C12 PARENT HMDB0000086 Glycerophosphocholine_C13-label-1 HMDB0000086 Glycerophosphocholine_C13-label-2 HMDB0000086 Glycerophosphocholine_C13-label-3 HMDB0000086 Glycerophosphocholine_C13-label-4 HMDB0000086 Adenosine diphosphate_C12 PARENT HMDB0001341 Adenosine diphosphate_C13-label-1 HMDB0001341 Adenosine diphosphate_C13-label-2 HMDB0001341 Adenosine diphosphate_C13-label-3 HMDB0001341 Adenosine diphosphate_C13-label-4 HMDB0001341 Adenosine diphosphate_C13-label-5 HMDB0001341 Adenosine diphosphate_C13-label-6 HMDB0001341 Adenosine diphosphate_C13-label-7 HMDB0001341 Adenosine diphosphate_C13-label-8 HMDB0001341 Adenosine diphosphate_C13-label-9 HMDB0001341 Uridine 5'-diphosphate_C12 PARENT HMDB0000295 Uridine 5'-diphosphate_C13-label-1 HMDB0000295 Uridine 5'-diphosphate_C13-label-2 HMDB0000295 Uridine 5'-monophosphate_C12 PARENT HMDB0000288 Uridine 5'-monophosphate_C13-label-1 HMDB0000288 Uridine 5'-monophosphate_C13-label-2 HMDB0000288 Adenosine triphosphate_C12 PARENT HMDB0000538 Adenosine triphosphate_C13-label-1 HMDB0000538 Adenosine triphosphate_C13-label-10 HMDB0000538 Adenosine triphosphate_C13-label-2 HMDB0000538 Adenosine triphosphate_C13-label-3 HMDB0000538 Adenosine triphosphate_C13-label-4 HMDB0000538 Adenosine triphosphate_C13-label-5 HMDB0000538 Adenosine triphosphate_C13-label-6 HMDB0000538 Adenosine triphosphate_C13-label-7 HMDB0000538 Adenosine triphosphate_C13-label-8 HMDB0000538 Adenosine triphosphate_C13-label-9 HMDB0000538 Cyclic AMP_C12 PARENT HMDB0000058 Cytidine triphosphate_C12 PARENT HMDB0000082 Cytidine triphosphate_C13-label-1 HMDB0000082 FAD_C12 PARENT HMDB0001248 FAD_C13-label-1 HMDB0001248 FAD_C13-label-2 HMDB0001248 FAD_C13-label-3 HMDB0001248 FAD_C13-label-4 HMDB0001248 FAD_C13-label-5 HMDB0001248 FAD_C13-label-6 HMDB0001248 FAD_C13-label-7 HMDB0001248 FAD_C13-label-8 HMDB0001248 FAD_C13-label-9 HMDB0001248 Fructose 1,6-bisphosphate_C12 PARENT HMDB0001058 Fructose 1,6-bisphosphate_C13-label-6 HMDB0001058 N-Acetylneuraminic acid_C12 PARENT HMDB0000230 N-Acetylneuraminic acid_C13-label-1 HMDB0000230 N-Acetylneuraminic acid_C13-label-11 HMDB0000230 N-Acetylneuraminic acid_C13-label-2 HMDB0000230 N-Acetylneuraminic acid_C13-label-3 HMDB0000230 N-Acetylneuraminic acid_C13-label-4 HMDB0000230 N-Acetylneuraminic acid_C13-label-9 HMDB0000230 NAD_C12 PARENT HMDB0000902 NAD_C13-label-1 HMDB0000902 NAD_C13-label-10 HMDB0000902 NAD_C13-label-11 HMDB0000902 NAD_C13-label-12 HMDB0000902 NAD_C13-label-13 HMDB0000902 NAD_C13-label-14 HMDB0000902 NAD_C13-label-15 HMDB0000902 NAD_C13-label-16 HMDB0000902 NAD_C13-label-17 HMDB0000902 NAD_C13-label-2 HMDB0000902 NAD_C13-label-3 HMDB0000902 NAD_C13-label-4 HMDB0000902 NAD_C13-label-5 HMDB0000902 NAD_C13-label-6 HMDB0000902 NAD_C13-label-7 HMDB0000902 NAD_C13-label-8 HMDB0000902 NAD_C13-label-9 HMDB0000902 NADP_C12 PARENT HMDB0000217 NADP_C13-label-1 HMDB0000217 NADP_C13-label-10 HMDB0000217 NADP_C13-label-11 HMDB0000217 NADP_C13-label-12 HMDB0000217 NADP_C13-label-2 HMDB0000217 NADP_C13-label-3 HMDB0000217 NADP_C13-label-4 HMDB0000217 NADP_C13-label-5 HMDB0000217 Orotidine_C12 PARENT HMDB0000788 Orotidine_C13-label-5 HMDB0000788 Orotidine_C13-label-8 HMDB0000788 Palmitic acid_C12 PARENT HMDB0000220 Palmitic acid_C13-label-1 HMDB0000220 Palmitic acid_C13-label-2 HMDB0000220 Taurocholic acid_C12 PARENT HMDB0000036 Uridine diphosphate glucose_C12 PARENT HMDB0000286 Uridine diphosphate glucose_C13-label-1 HMDB0000286 Uridine diphosphate glucose_C13-label-10 HMDB0000286 Uridine diphosphate glucose_C13-label-11 HMDB0000286 Uridine diphosphate glucose_C13-label-12 HMDB0000286 Uridine diphosphate glucose_C13-label-13 HMDB0000286 Uridine diphosphate glucose_C13-label-14 HMDB0000286 Uridine diphosphate glucose_C13-label-15 HMDB0000286 Uridine diphosphate glucose_C13-label-2 HMDB0000286 Uridine diphosphate glucose_C13-label-3 HMDB0000286 Uridine diphosphate glucose_C13-label-4 HMDB0000286 Uridine diphosphate glucose_C13-label-5 HMDB0000286 Uridine diphosphate glucose_C13-label-6 HMDB0000286 Uridine diphosphate glucose_C13-label-7 HMDB0000286 Uridine diphosphate glucose_C13-label-8 HMDB0000286 Uridine diphosphate glucose_C13-label-9 HMDB0000286 Adenosine monophosphate_C12 PARENT HMDB0000045 Adenosine monophosphate_C13-label-1 HMDB0000045 Adenosine monophosphate_C13-label-10 HMDB0000045 Adenosine monophosphate_C13-label-2 HMDB0000045 Adenosine monophosphate_C13-label-3 HMDB0000045 Adenosine monophosphate_C13-label-4 HMDB0000045 Adenosine monophosphate_C13-label-5 HMDB0000045 Adenosine monophosphate_C13-label-6 HMDB0000045 Adenosine monophosphate_C13-label-7 HMDB0000045 Adenosine monophosphate_C13-label-8 HMDB0000045 Adenosine monophosphate_C13-label-9 HMDB0000045 Deoxyuridine monophosphate_C12 PARENT HMDB0001409 Fructose 6-phosphate_C12 PARENT HMDB0000124 Fructose 6-phosphate_C13-label-6 HMDB0000124 Guanosine monophosphate_C12 PARENT HMDB0001397 Ribulose 5-phosphate_C12 PARENT HMDB0000618 Ribulose 5-phosphate_C13-label-1 HMDB0000618 Ribulose 5-phosphate_C13-label-2 HMDB0000618 Ribulose 5-phosphate_C13-label-3 HMDB0000618 Ribulose 5-phosphate_C13-label-4 HMDB0000618 Ribulose 5-phosphate_C13-label-5 HMDB0000618 S-Adenosylhomocysteine_C12 PARENT HMDB0000939 S-Adenosylhomocysteine_C13-label-1 HMDB0000939 S-Adenosylhomocysteine_C13-label-10 HMDB0000939 S-Adenosylhomocysteine_C13-label-11 HMDB0000939 S-Adenosylhomocysteine_C13-label-2 HMDB0000939 S-Adenosylhomocysteine_C13-label-3 HMDB0000939 S-Adenosylhomocysteine_C13-label-4 HMDB0000939 S-Adenosylhomocysteine_C13-label-5 HMDB0000939 S-Adenosylhomocysteine_C13-label-6 HMDB0000939 S-Adenosylhomocysteine_C13-label-7 HMDB0000939 S-Adenosylhomocysteine_C13-label-8 HMDB0000939 S-Adenosylhomocysteine_C13-label-9 HMDB0000939 Glucose 6-phosphate_C12 PARENT HMDB0001401 Glucose 6-phosphate_C13-label-6 HMDB0001401 Taurodeoxycholic acid_C12 PARENT HMDB0000896 Taurodeoxycholic acid_C13-label-1 HMDB0000896 Uridine diphosphate-N-acetylglucosamine_C12 PARENT HMDB0000290 Uridine diphosphate-N-acetylglucosamine_C13-label-1 HMDB0000290 Uridine diphosphate-N-acetylglucosamine_C13-label-10 HMDB0000290 Uridine diphosphate-N-acetylglucosamine_C13-label-11 HMDB0000290 Uridine diphosphate-N-acetylglucosamine_C13-label-12 HMDB0000290 Uridine diphosphate-N-acetylglucosamine_C13-label-13 HMDB0000290 Uridine diphosphate-N-acetylglucosamine_C13-label-14 HMDB0000290 Uridine diphosphate-N-acetylglucosamine_C13-label-15 HMDB0000290 Uridine diphosphate-N-acetylglucosamine_C13-label-16 HMDB0000290 Uridine diphosphate-N-acetylglucosamine_C13-label-17 HMDB0000290 Uridine diphosphate-N-acetylglucosamine_C13-label-2 HMDB0000290 Uridine diphosphate-N-acetylglucosamine_C13-label-3 HMDB0000290 Uridine diphosphate-N-acetylglucosamine_C13-label-4 HMDB0000290 Uridine diphosphate-N-acetylglucosamine_C13-label-5 HMDB0000290 Uridine diphosphate-N-acetylglucosamine_C13-label-6 HMDB0000290 Uridine diphosphate-N-acetylglucosamine_C13-label-7 HMDB0000290 Uridine diphosphate-N-acetylglucosamine_C13-label-8 HMDB0000290 Uridine diphosphate-N-acetylglucosamine_C13-label-9 HMDB0000290 Carnosine_C12 PARENT HMDB0000033 Deoxycholic acid glycine conjugate_C12 PARENT HMDB0000631 Deoxycholic acid glycine conjugate_C13-label-1 HMDB0000631 Linoleic acid_C12 PARENT HMDB0000673 Linoleic acid_C13-label-1 HMDB0000673 Oleic acid_C12 PARENT HMDB0000207 Oleic acid_C13-label-1 HMDB0000207 Oleic acid_C13-label-2 HMDB0000207 Undecanedioic acid_C12 PARENT HMDB0000888 Sebacic acid_C12 PARENT HMDB0000792 Erucic acid_C12 PARENT HMDB0002068 Oxidized glutathione_C12 PARENT HMDB0003337 Oxidized glutathione_C13-label-1 HMDB0003337 Oxidized glutathione_C13-label-10 HMDB0003337 Oxidized glutathione_C13-label-11 HMDB0003337 Oxidized glutathione_C13-label-12 HMDB0003337 Oxidized glutathione_C13-label-2 HMDB0003337 Oxidized glutathione_C13-label-3 HMDB0003337 Oxidized glutathione_C13-label-4 HMDB0003337 Oxidized glutathione_C13-label-5 HMDB0003337 Oxidized glutathione_C13-label-6 HMDB0003337 Oxidized glutathione_C13-label-7 HMDB0003337 Oxidized glutathione_C13-label-8 HMDB0003337 Oxidized glutathione_C13-label-9 HMDB0003337 Ribothymidine_C12 PARENT HMDB0000884 Ribothymidine_C13-label-1 HMDB0000884 Arachidic acid_C12 PARENT HMDB0002212 Arachidic acid_C13-label-1 HMDB0002212 Behenic acid_C12 PARENT HMDB0000944 Behenic acid_C13-label-1 HMDB0000944 METABOLITES_END #END