#METABOLOMICS WORKBENCH ijochmans_20230717_041116 DATATRACK_ID:4169 STUDY_ID:ST002785 ANALYSIS_ID:AN004532 PROJECT_ID:PR001736 VERSION 1 CREATED_ON July 18, 2023, 7:53 am #PROJECT PR:PROJECT_TITLE Metabolic changes during normothermic isolated kidney perfusion PR:PROJECT_TYPE Experimental PR:PROJECT_SUMMARY Normothermic isolated kidney perfusion is being developed as a method to PR:PROJECT_SUMMARY preserve donor kidneys and to assess their future function before they are PR:PROJECT_SUMMARY transplanted. Donor kidneys can be exposed to different types and degrees of PR:PROJECT_SUMMARY ischemic injury before they are preserved. This project studies how the PR:PROJECT_SUMMARY metabolome changes in relation to different types and degrees of ischemia. PR:INSTITUTE KU Leuven PR:DEPARTMENT Microbiology, Immunology and Transplantation PR:LABORATORY Lab of Abdominal Transplantation PR:LAST_NAME Jochmans PR:FIRST_NAME Ina PR:ADDRESS Herestraat 49, Leuven, 3000, Belgium PR:EMAIL ina.jochmans@kuleuven.be PR:PHONE None PR:FUNDING_SOURCE FTBO, KOOR, FWO PR:CONTRIBUTORS Julie De Beule, Bart Ghesquière, Ina Jochmans #STUDY ST:STUDY_TITLE Metabolic changes of the human kidney during isolated normothermic perfusion ST:STUDY_TITLE with red blood cell based perfusate - perfusate ST:STUDY_TYPE Experimental ST:STUDY_SUMMARY This study investigates how glucose, lactate and 20 amino acids in the perfusate ST:STUDY_SUMMARY of normothermically perfused human kidneys that were not suitable for ST:STUDY_SUMMARY transplantation changes over time. ST:INSTITUTE KU Leuven ST:DEPARTMENT Microbiology, Immunology and Transplantation ST:LABORATORY Lab of Abdominal Transplantation ST:LAST_NAME Jochmans ST:FIRST_NAME Ina ST:ADDRESS Herestraat 49, Leuven, 3000, Belgium ST:EMAIL ina.jochmans@kuleuven.be ST:PHONE None ST:NUM_GROUPS 2 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENDER Male and female #FACTORS #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 H01 H01_T0 Group:DCD | Timepoint:0 RAW_FILE_NAME=H01_T0.mzML SUBJECT_SAMPLE_FACTORS H01 H01_T0.25 Group:DCD | Timepoint:15 RAW_FILE_NAME=H01_T0.25.mzML SUBJECT_SAMPLE_FACTORS H01 H01_T0.50 Group:DCD | Timepoint:30 RAW_FILE_NAME=H01_T0.50.mzML SUBJECT_SAMPLE_FACTORS H01 H01_T0.75 Group:DCD | Timepoint:45 RAW_FILE_NAME=H01_T0.75.mzML SUBJECT_SAMPLE_FACTORS H01 H01_T1 Group:DCD | Timepoint:60 RAW_FILE_NAME=H01_T1.mzML SUBJECT_SAMPLE_FACTORS H01 H01_T2 Group:DCD | Timepoint:120 RAW_FILE_NAME=H01_T2.mzML SUBJECT_SAMPLE_FACTORS H01 H01_T3 Group:DCD | Timepoint:180 RAW_FILE_NAME=H01_T3.mzML SUBJECT_SAMPLE_FACTORS H01 H01_T4 Group:DCD | Timepoint:240 RAW_FILE_NAME=H01_T4.mzML SUBJECT_SAMPLE_FACTORS H02 H02_T0 Group:DCD | Timepoint:0 RAW_FILE_NAME=H02_T0.mzML SUBJECT_SAMPLE_FACTORS H02 H02_T0.25 Group:DCD | Timepoint:15 RAW_FILE_NAME=H02_T0.25.mzML SUBJECT_SAMPLE_FACTORS H02 H02_T0.50 Group:DCD | Timepoint:30 RAW_FILE_NAME=H02_T0.50.mzML SUBJECT_SAMPLE_FACTORS H02 H02_T0.75 Group:DCD | Timepoint:45 RAW_FILE_NAME=H02_T0.75.mzML SUBJECT_SAMPLE_FACTORS H02 H02_T1 Group:DCD | Timepoint:60 RAW_FILE_NAME=H02_T1.mzML SUBJECT_SAMPLE_FACTORS H02 H02_T2 Group:DCD | Timepoint:120 RAW_FILE_NAME=H02_T2.mzML SUBJECT_SAMPLE_FACTORS H02 H02_T3 Group:DCD | Timepoint:180 RAW_FILE_NAME=H02_T3.mzML SUBJECT_SAMPLE_FACTORS H02 H02_T4 Group:DCD | Timepoint:240 RAW_FILE_NAME=H02_T4.mzML SUBJECT_SAMPLE_FACTORS H02L H02L_T0 Group:DBD | Timepoint:0 RAW_FILE_NAME=H02L_T0.mzML SUBJECT_SAMPLE_FACTORS H02L H02L_T0.25 Group:DBD | Timepoint:15 RAW_FILE_NAME=H02L_T0.25.mzML SUBJECT_SAMPLE_FACTORS H02L H02L_T0.50 Group:DBD | Timepoint:30 RAW_FILE_NAME=H02L_T0.50.mzML SUBJECT_SAMPLE_FACTORS H02L H02L_T0.75 Group:DBD | Timepoint:45 RAW_FILE_NAME=H02L_T0.75.mzML SUBJECT_SAMPLE_FACTORS H02L H02L_T1 Group:DBD | Timepoint:60 RAW_FILE_NAME=H02L_T1.mzML SUBJECT_SAMPLE_FACTORS H02L H02L_T2 Group:DBD | Timepoint:120 RAW_FILE_NAME=H02L_T2.mzML SUBJECT_SAMPLE_FACTORS H02L H02L_T3 Group:DBD | Timepoint:180 RAW_FILE_NAME=H02L_T3.mzML SUBJECT_SAMPLE_FACTORS H02L H02L_T4 Group:DBD | Timepoint:240 RAW_FILE_NAME=H02L_T4.mzML SUBJECT_SAMPLE_FACTORS H03 H03_T0 Group:DCD | Timepoint:0 RAW_FILE_NAME=H03_T0.mzML SUBJECT_SAMPLE_FACTORS H03 H03_T0.25 Group:DCD | Timepoint:15 RAW_FILE_NAME=H03_T0.25.mzML SUBJECT_SAMPLE_FACTORS H03 H03_T0.50 Group:DCD | Timepoint:30 RAW_FILE_NAME=H03_T0.50.mzML SUBJECT_SAMPLE_FACTORS H03 H03_T0.75 Group:DCD | Timepoint:45 RAW_FILE_NAME=H03_T0.75.mzML SUBJECT_SAMPLE_FACTORS H03 H03_T1 Group:DCD | Timepoint:60 RAW_FILE_NAME=H03_T1.mzML SUBJECT_SAMPLE_FACTORS H03 H03_T2 Group:DCD | Timepoint:120 RAW_FILE_NAME=H03_T2.mzML SUBJECT_SAMPLE_FACTORS H03 H03_T3 Group:DCD | Timepoint:180 RAW_FILE_NAME=H03_T3.mzML SUBJECT_SAMPLE_FACTORS H03 H03_T4 Group:DCD | Timepoint:240 RAW_FILE_NAME=H03_T4.mzML SUBJECT_SAMPLE_FACTORS H04 H04_T0 Group:DCD | Timepoint:0 RAW_FILE_NAME=H04_T0.mzML SUBJECT_SAMPLE_FACTORS H04 H04_T0.25 Group:DCD | Timepoint:15 RAW_FILE_NAME=H04_T0.25.mzML SUBJECT_SAMPLE_FACTORS H04 H04_T0.50 Group:DCD | Timepoint:30 RAW_FILE_NAME=H04_T0.50.mzML SUBJECT_SAMPLE_FACTORS H04 H04_T0.75 Group:DCD | Timepoint:45 RAW_FILE_NAME=H04_T0.75.mzML SUBJECT_SAMPLE_FACTORS H04 H04_T1 Group:DCD | Timepoint:60 RAW_FILE_NAME=H04_T1.mzML SUBJECT_SAMPLE_FACTORS H04 H04_T2 Group:DCD | Timepoint:120 RAW_FILE_NAME=H04_T2.mzML SUBJECT_SAMPLE_FACTORS H04 H04_T3 Group:DCD | Timepoint:180 RAW_FILE_NAME=H04_T3.mzML SUBJECT_SAMPLE_FACTORS H04 H04_T4 Group:DCD | Timepoint:240 RAW_FILE_NAME=H04_T4.mzML SUBJECT_SAMPLE_FACTORS H05 H05_T0 Group:DBD | Timepoint:0 RAW_FILE_NAME=H05_T0.mzML SUBJECT_SAMPLE_FACTORS H05 H05_T0.25 Group:DBD | Timepoint:15 RAW_FILE_NAME=H05_T0.25.mzML SUBJECT_SAMPLE_FACTORS H05 H05_T0.50 Group:DBD | Timepoint:30 RAW_FILE_NAME=H05_T0.50.mzML SUBJECT_SAMPLE_FACTORS H05 H05_T0.75 Group:DBD | Timepoint:45 RAW_FILE_NAME=H05_T0.75.mzML SUBJECT_SAMPLE_FACTORS H05 H05_T1 Group:DBD | Timepoint:60 RAW_FILE_NAME=H05_T1.mzML SUBJECT_SAMPLE_FACTORS H05 H05_T2 Group:DBD | Timepoint:120 RAW_FILE_NAME=H05_T2.mzML SUBJECT_SAMPLE_FACTORS H05 H05_T3 Group:DBD | Timepoint:180 RAW_FILE_NAME=H05_T3.mzML SUBJECT_SAMPLE_FACTORS H05 H05_T4 Group:DBD | Timepoint:240 RAW_FILE_NAME=H05_T4.mzML #COLLECTION CO:COLLECTION_SUMMARY Perfusate samples were collected in ethylenediaminetetraacetic acid (EDTA) CO:COLLECTION_SUMMARY tubes, at baseline (before the kidney was mounted on the normothermic perfusion CO:COLLECTION_SUMMARY device), every 15 minutes during the first hour and hourly thereafter. One CO:COLLECTION_SUMMARY milliliter perfusate aliquots (centrifuged 1000g, 10 minutes, 4°C) were snap CO:COLLECTION_SUMMARY frozen in liquid nitrogen and stored at -80°C until analysis. CO:SAMPLE_TYPE Perfusate CO:COLLECTION_FREQUENCY Baseline (T0) and during perfusion at 15 min (T0.25), 30 min (T0.50), 45 min CO:COLLECTION_FREQUENCY (T0.75), 1 hour (T1), 2 hours (T2), 3 hours (T3), 4 hours (T4) CO:STORAGE_CONDITIONS -80℃ CO:ADDITIVES EDTA #TREATMENT TR:TREATMENT_SUMMARY Human kidneys retrieved to be transplanted but finally deemed not suitable for TR:TREATMENT_SUMMARY transplantation by all Eurotransplant kidney transplant centers were brought to TR:TREATMENT_SUMMARY the lab. The kidneys were retrieved following national protocols and stored in TR:TREATMENT_SUMMARY IGL-1 on ice. Kidneys were donated after brain death (DBD) or after circulatory TR:TREATMENT_SUMMARY death (DCD). All kidneys were flushed with 200 ml of Ringer’s solution before TR:TREATMENT_SUMMARY mounting them on the ex situ circuit to wash out IGL-1. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Samples were extracted in an 80% methanol (80:20 methanol:water) (Methanol SP:SAMPLEPREP_SUMMARY ≥99.9%, HiPerSolv CHROMANORM®, ULTRA for LC-MS, suitable for UPLC/UHPLC-MS SP:SAMPLEPREP_SUMMARY instruments, VWR, Belgium) extraction buffer containing 1 µM of deuterated D27 SP:SAMPLEPREP_SUMMARY myristic acid, 5 µM D12 glucose, 3 µM 13C5-D5-15N Glutamic acid and 3 µM SP:SAMPLEPREP_SUMMARY D7-15N4-Arginine as internal standards. 10 µl of sample was added to 990 µl of SP:SAMPLEPREP_SUMMARY the extraction buffer and stored overnight at -80 °C. Insolubilities and SP:SAMPLEPREP_SUMMARY precipitated proteins were removed by centrifugation at 20.000 g, for 15 min at SP:SAMPLEPREP_SUMMARY 4 °C. 200 µL of the supernatant was transferred to an appropriate SP:SAMPLEPREP_SUMMARY mass-spectrometry vial. 10 µl of sample was added to 990 µl of the extraction SP:SAMPLEPREP_SUMMARY buffer and stored overnight at -80 °C. SP:EXTRACT_STORAGE -80℃ #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY 10 µl was loaded onto an Ultra Performance Liquid Chromatograph (UPLC) equipped CH:CHROMATOGRAPHY_SUMMARY with a Hydrophilic Interaction Liquid Chromatography (HILIC) column (InfinityLab CH:CHROMATOGRAPHY_SUMMARY Poroshell 120 HILIC-Z PEEK-lined 2.1 x 150 mm, 2.7 µm column; Agilent, Santa CH:CHROMATOGRAPHY_SUMMARY Clara, USA)) and connected in-line to a Q-exactive Orbitrap Focus (Thermo Fisher CH:CHROMATOGRAPHY_SUMMARY Scientific, Massachusetts, USA) mass spectrometer. A linear gradient was built CH:CHROMATOGRAPHY_SUMMARY up starting with 90% solvent A (LC-MS grade acetonitrile, Acetonitrile CH:CHROMATOGRAPHY_SUMMARY hypergrade for LC-MS LiChrosolv, Supelco (Merck), Germany) and 10% solvent B (10 CH:CHROMATOGRAPHY_SUMMARY mM ammonium acetate (LiChropur™, eluent additive for LC-MS, (Merck), Germany), CH:CHROMATOGRAPHY_SUMMARY pH 9.3). At 2 min the gradient increased to 60% of solvent B and maintained at CH:CHROMATOGRAPHY_SUMMARY 60% until 15 min. The gradient returned to 10% solvent B at 16 min and remained CH:CHROMATOGRAPHY_SUMMARY until 25 min. The flow rate was 250 µl/min and the column was kept at 25°C CH:CHROMATOGRAPHY_SUMMARY throughout the analysis. The MS operated in negative ion mode, with a spray CH:CHROMATOGRAPHY_SUMMARY voltage of 2.9 kV and a temperature of the capillary of 325 °C. Gas settings CH:CHROMATOGRAPHY_SUMMARY were as follows: sheath gas 40 and auxiliary gas 15. The vaporizer temperature CH:CHROMATOGRAPHY_SUMMARY was set at 300 °C. A full scan (resolution of 70.000 and scan range of m/z CH:CHROMATOGRAPHY_SUMMARY 70-1050) was applied. XCalibur version to operate the LC-MS was 4.2.47. CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Agilent 1290 Infinity CH:COLUMN_NAME Agilent InfinityLab Poroshell 120 (2.1 x 150 mm, 2.7 um) CH:SOLVENT_A 100% acetonitrile CH:SOLVENT_B 100% water; 10 mM ammonium acetate, pH 9.3 CH:FLOW_GRADIENT A linear gradient was built up starting with 90% solvent A and 10% solvent B. At CH:FLOW_GRADIENT 2 min the gradient increased to 60% of solvent B and maintained at 60% until 15 CH:FLOW_GRADIENT min. CH:FLOW_RATE 250 µl/min CH:COLUMN_TEMPERATURE 25°C #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME Laboratory of Applied Mass Spectrometry, KU Leuven #MS MS:INSTRUMENT_NAME Thermo Q Exactive Focus MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS Raw MS data were converted into mzML using the MSConvert tool of Proteowizard MS:MS_COMMENTS (version 3.0.20247). Peak picking was performed with El_Maven (El_Maven, MS:MS_COMMENTS Elucidata, Massachusetts, USA, version 0.12.0). Metabolites were identified MS:MS_COMMENTS using an in-house library containing exact mass and retention time. The mass MS:MS_COMMENTS accuracy during data processing in El Maven was set at 10 ppm. Calculation of MS:MS_COMMENTS abundances was done in the LC-MS Workflow of El_Maven. Raw abundances (peak area MS:MS_COMMENTS values) for each metabolite were corrected for internal standard (Myristic acid MS:MS_COMMENTS d27). #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak area MS_METABOLITE_DATA_START Samples H01_T0 H01_T0.25 H01_T0.50 H01_T0.75 H01_T1 H01_T2 H01_T3 H01_T4 H02_T0 H02_T0.25 H02_T0.50 H02_T0.75 H02_T1 H02_T2 H02_T3 H02_T4 H02L_T0 H02L_T0.25 H02L_T0.50 H02L_T0.75 H02L_T1 H02L_T2 H02L_T3 H02L_T4 H03_T0 H03_T0.25 H03_T0.50 H03_T0.75 H03_T1 H03_T2 H03_T3 H03_T4 H04_T0 H04_T0.25 H04_T0.50 H04_T0.75 H04_T1 H04_T2 H04_T3 H04_T4 H05_T0 H05_T0.25 H05_T0.50 H05_T0.75 H05_T1 H05_T2 H05_T3 H05_T4 Factors Group:DCD | Timepoint:0 Group:DCD | Timepoint:15 Group:DCD | Timepoint:30 Group:DCD | Timepoint:45 Group:DCD | Timepoint:60 Group:DCD | Timepoint:120 Group:DCD | Timepoint:180 Group:DCD | Timepoint:240 Group:DCD | Timepoint:0 Group:DCD | Timepoint:15 Group:DCD | Timepoint:30 Group:DCD | Timepoint:45 Group:DCD | Timepoint:60 Group:DCD | Timepoint:120 Group:DCD | Timepoint:180 Group:DCD | Timepoint:240 Group:DBD | Timepoint:0 Group:DBD | Timepoint:15 Group:DBD | Timepoint:30 Group:DBD | Timepoint:45 Group:DBD | Timepoint:60 Group:DBD | Timepoint:120 Group:DBD | Timepoint:180 Group:DBD | Timepoint:240 Group:DCD | Timepoint:0 Group:DCD | Timepoint:15 Group:DCD | Timepoint:30 Group:DCD | Timepoint:45 Group:DCD | Timepoint:60 Group:DCD | Timepoint:120 Group:DCD | Timepoint:180 Group:DCD | Timepoint:240 Group:DCD | Timepoint:0 Group:DCD | Timepoint:15 Group:DCD | Timepoint:30 Group:DCD | Timepoint:45 Group:DCD | Timepoint:60 Group:DCD | Timepoint:120 Group:DCD | Timepoint:180 Group:DCD | Timepoint:240 Group:DBD | Timepoint:0 Group:DBD | Timepoint:15 Group:DBD | Timepoint:30 Group:DBD | Timepoint:45 Group:DBD | Timepoint:60 Group:DBD | Timepoint:120 Group:DBD | Timepoint:180 Group:DBD | Timepoint:240 Glucose 2.41 2.31 2.54 2.61 2.50 3.10 3.05 2.47 2.27 2.18 2.39 2.42 2.58 2.57 2.54 2.15 2.62 2.30 2.62 2.48 2.45 2.30 1.73 1.20 2.53 2.53 2.94 3.00 3.36 3.35 2.73 2.71 2.71 2.11 2.24 2.30 2.38 2.40 2.09 1.47 2.55 2.09 2.03 1.89 1.72 1.25 0.71 0.41 Lactate 17.84 20.83 22.46 22.27 19.55 16.59 12.51 10.95 17.47 19.51 20.16 19.07 19.35 18.51 19.57 19.41 13.67 15.42 17.65 16.43 15.91 12.71 10.00 9.16 20.39 22.16 23.37 21.55 20.85 14.88 12.11 13.25 20.31 20.72 23.22 23.91 23.90 23.76 23.57 22.46 12.78 20.70 25.84 27.47 26.89 27.03 24.30 18.67 Gly 0.0033 0.01047 0.01169 0.01207 0.01084 0.01058 0.01068 0.01007 0.00335 0.01312 0.01399 0.01376 0.01386 0.01308 0.01463 0.01608 0.00258 0.00954 0.0108 0.0095 0.00833 0.00674 0.00641 0.00634 0.00313 0.00745 0.00835 0.00846 0.00864 0.00869 0.00847 0.00942 0.00321 0.01124 0.01205 0.01229 0.01225 0.01081 0.01045 0.0102 0.00273 0.01375 0.01534 0.01583 0.01454 0.01324 0.01386 0.0157 Gln 0.48028 0.32404 0.32736 0.34374 0.29682 0.32861 0.40461 0.37307 0.5016 0.13538 0.0745 0.05146 0.04683 0.04408 0.04999 0.06043 0.47906 0.09034 0.04454 0.02819 0.02171 0.02498 0.03619 0.06451 0.47678 0.30245 0.2282 0.1337 0.07652 0.12706 0.242 0.38225 0.52601 0.22872 0.18092 0.16025 0.14056 0.11557 0.1788 0.24333 0.49017 0.13091 0.1322 0.11347 0.11429 0.22207 0.33883 0.47344 Met 0.00038 0.01489 0.03175 0.04934 0.05754 0.11661 0.15993 0.17867 0.00049 0.02016 0.04229 0.0601 0.07675 0.12726 0.18475 0.23243 0.00161 0.01794 0.03731 0.05093 0.05791 0.0953 0.10849 0.1242 0.0004 0.01215 0.02886 0.0428 0.05921 0.0943 0.10221 0.13865 0.00049 0.01506 0.0332 0.04997 0.06952 0.12196 0.15982 0.18003 0.0008 0.02757 0.04995 0.07039 0.08606 0.14231 0.19739 0.24212 Phe 0.04644 0.09644 0.15835 0.21629 0.23659 0.3218 0.32309 0.29386 0.04724 0.11477 0.17614 0.20797 0.23373 0.23824 0.26475 0.27961 0.0536 0.10552 0.17162 0.20135 0.21249 0.24039 0.22693 0.2249 0.04659 0.10722 0.17743 0.21965 0.26156 0.318 0.33451 0.44902 0.05284 0.10907 0.17654 0.23398 0.2842 0.35047 0.3552 0.33815 0.03786 0.14505 0.23219 0.29891 0.30814 0.38238 0.42713 0.46596 Pro 0.01104 0.0218 0.03387 0.0467 0.05257 0.08723 0.10733 0.10993 0.0104 0.0253 0.03999 0.05022 0.05904 0.06989 0.07838 0.07609 0.01113 0.01995 0.03169 0.03666 0.03921 0.04168 0.03145 0.02539 0.0086 0.01743 0.02817 0.03579 0.04426 0.04558 0.03814 0.03916 0.00832 0.01735 0.02856 0.03809 0.0498 0.0701 0.07429 0.06834 0.00445 0.02067 0.0329 0.04409 0.0494 0.07097 0.07867 0.07432 Ser 0.0048 0.01848 0.03198 0.04634 0.05429 0.12387 0.18855 0.20738 0.0042 0.01968 0.0375 0.05429 0.07301 0.1555 0.24778 0.31006 0.0043 0.0198 0.0383 0.04969 0.05935 0.12286 0.1565 0.18679 0.00455 0.01655 0.03116 0.04177 0.05484 0.08636 0.09718 0.1285 0.00456 0.01936 0.03589 0.04984 0.06933 0.13247 0.1914 0.228 0.00324 0.02742 0.04112 0.05804 0.08089 0.17401 0.26084 0.34463 Thr 0.00768 0.02712 0.05159 0.07129 0.07748 0.14865 0.19406 0.20261 0.00779 0.03475 0.06397 0.09153 0.11403 0.17663 0.25598 0.33727 0.00926 0.02522 0.04621 0.0615 0.06369 0.09233 0.10585 0.11028 0.008 0.02495 0.05047 0.06777 0.08804 0.14113 0.16126 0.2071 0.0086 0.02995 0.05128 0.07214 0.10443 0.16666 0.21785 0.23716 0.00416 0.03629 0.06467 0.07998 0.10217 0.16596 0.25289 0.32415 Trp 0.00807 0.02369 0.03962 0.05485 0.06088 0.12026 0.16863 0.18804 0.00843 0.02905 0.04939 0.06578 0.08401 0.14372 0.20773 0.25177 0.01104 0.02614 0.04395 0.05265 0.05801 0.09147 0.10324 0.12055 0.00883 0.0247 0.04092 0.05221 0.06876 0.10821 0.11713 0.15594 0.01005 0.02919 0.04909 0.0669 0.084 0.13928 0.18391 0.20394 0.00585 0.03306 0.05346 0.07047 0.08505 0.1287 0.17766 0.20954 Tyr 0.0116 0.04 0.06972 0.10008 0.11506 0.24095 0.36989 0.44531 0.01236 0.04938 0.09201 0.12674 0.16547 0.32547 0.49955 0.64149 0.01594 0.04322 0.07504 0.09308 0.10517 0.17693 0.21421 0.25004 0.01321 0.03552 0.06321 0.0854 0.11905 0.22566 0.29224 0.42747 0.01391 0.0449 0.0798 0.10779 0.14725 0.28489 0.39926 0.47277 0.00762 0.0533 0.08721 0.13328 0.17003 0.34333 0.52797 0.72244 (Iso)Leu 0.12884 0.34687 0.56099 0.75596 0.82055 1.09383324 1.07415573 0.95901 0.13114 0.37582 0.60766 0.7304 0.82528 0.78149 0.73015 0.72359 0.17176 0.33114 0.47234 0.47332 0.46709 0.36508 0.25874 0.2357 0.13013 0.30856 0.49076 0.57485 0.62207 0.59853 0.6316 0.79736 0.15006 0.34209 0.55926 0.72876 0.88558 0.97761 0.71546 0.60494 0.10448 0.39027 0.58125 0.7417 0.80268 0.95011 0.91687 0.95564 Val 0.02823 0.05649 0.08736 0.11681 0.12829 0.18965 0.219 0.22155 0.02778 0.06016 0.09534 0.11793 0.13965 0.17714 0.21482 0.23406 0.03575 0.05591 0.08486 0.09346 0.09725 0.10063 0.08316 0.07771 0.02748 0.0528 0.08206 0.10012 0.12163 0.15152 0.16636 0.21524 0.02976 0.05608 0.08793 0.11347 0.1424 0.1914 0.19185 0.18319 0.01375 0.05941 0.0904 0.12115 0.13621 0.20104 0.24361 0.28565 Ala 0.01427 0.06406 0.10599 0.15026 0.17741 0.3075 0.3572 0.35961 0.01486 0.0985 0.17079 0.22407 0.27912 0.40755 0.53145 0.59912 0.0121 0.09947 0.17818 0.2052 0.22329 0.2686 0.25476 0.2656 0.01777 0.06656 0.12515 0.1751 0.24164 0.33094 0.35479 0.46488 0.01647 0.06885 0.12445 0.16811 0.21979 0.36711 0.46016 0.48227 0.0128 0.09762 0.14823 0.19573 0.22761 0.35779 0.45591 0.53045 Arg 0.00331 0.01172 0.01947 0.0258 0.02621 0.02859 0.02013 0.01327 0.00429 0.01401 0.0233 0.02827 0.03355 0.03347 0.03199 0.02826 0.0034 0.01028 0.01611 0.01649 0.01712 0.01198 0.00758 0.00616 0.00463 0.01045 0.01719 0.0201 0.02259 0.02036 0.01755 0.01843 0.00505 0.01386 0.02233 0.0285 0.0332 0.03456 0.02848 0.0224 0.00512 0.019 0.0279 0.0359 0.03856 0.04362 0.04059 0.03632 Asn 0.00195 0.01022 0.01846 0.02794 0.03223 0.05494 0.06806 0.06568 0.0018 0.00973 0.01976 0.02865 0.03769 0.06403 0.09293 0.10862 0.00171 0.00681 0.01307 0.01692 0.01843 0.02412 0.02237 0.02186 0.00292 0.00932 0.01909 0.02704 0.03456 0.05047 0.05739 0.07476 0.00221 0.00902 0.01755 0.02572 0.03569 0.05916 0.07278 0.07749 0.00051 0.01182 0.0204 0.02881 0.03591 0.06419 0.09159 0.11748 Glu 0.06181 0.20413 0.21084 0.20918 0.16719 0.16398 0.17167 0.18277 0.06657 0.33376 0.36465 0.3146 0.28363 0.1794 0.18315 0.17248 0.05759 0.20263 0.18163 0.14243 0.13333 0.1335 0.14012 0.15498 0.07024 0.21601 0.26505 0.26233 0.25153 0.2238 0.19058 0.2047 0.07091 0.24269 0.24245 0.22971 0.21986 0.18581 0.16785 0.16658 0.07115 0.32394 0.41138 0.41895 0.37337 0.22581 0.24429 0.27253 Ornithine 0.01389 0.01695 0.02032 0.02417 0.02351 0.03714 0.03878 0.03443 0.01415 0.01832 0.0224 0.02619 0.02963 0.04017 0.04773 0.04723 0.014 0.01483 0.02075 0.02167 0.02276 0.02323 0.01956 0.01768 0.01453 0.01733 0.02079 0.02352 0.0268 0.02684 0.0251 0.02651 0.01414 0.01813 0.02217 0.02694 0.03195 0.04557 0.04995 0.04776 0.01178 0.01822 0.02286 0.02629 0.03168 0.04327 0.05114 0.0532 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Glucose Lactate Gly Gln Met Phe Pro Ser Thr Trp Tyr (Iso)Leu Val Ala Arg Asn Glu Ornithine METABOLITES_END #END