#METABOLOMICS WORKBENCH efahy_20230425_000031 DATATRACK_ID:3926 STUDY_ID:ST002611 ANALYSIS_ID:AN004283 PROJECT_ID:PR001020 VERSION 1 CREATED_ON April 25, 2023, 7:56 am #PROJECT PR:PROJECT_TITLE Molecular Transducer of Physical Activity Consortium PR:PROJECT_SUMMARY MoTrPAC is a national research consortium designed to discover and perform PR:PROJECT_SUMMARY preliminary characterization of the range of molecular transducers (the PR:PROJECT_SUMMARY "molecular map") that underlie the effects of physical activity in humans. The PR:PROJECT_SUMMARY program's goal is to study the molecular changes that occur during and after PR:PROJECT_SUMMARY exercise and ultimately to advance the understanding of how physical activity PR:PROJECT_SUMMARY improves and preserves health. Preclinical and clinical studies will examine the PR:PROJECT_SUMMARY systemic effects of endurance and resistance exercise across a range of ages and PR:PROJECT_SUMMARY fitness levels by molecular probing of multiple tissues before and after acute PR:PROJECT_SUMMARY and chronic exercise. This program is the largest targeted NIH investment of PR:PROJECT_SUMMARY funds into the mechanisms of how physical activity improves health and prevents PR:PROJECT_SUMMARY disease. The MoTrPAC program is supported by the NIH Common Fund and is managed PR:PROJECT_SUMMARY by a trans-agency working group representing multiple NIH institutes and PR:PROJECT_SUMMARY centers, led by the NIH Office of Strategic Coordination, National Institute of PR:PROJECT_SUMMARY Arthritis and Musculoskeletal and Skin Diseases, National Institute of Diabetes PR:PROJECT_SUMMARY and Digestive and Kidney Diseases, National Institute on Aging, and National PR:PROJECT_SUMMARY Institute of Biomedical Imaging and Bioengineering. MoTrPAC Steering Committee: PR:PROJECT_SUMMARY Wendy Kohrt, Chair, Russ Tracy, Co-Chair; NIH Program Manager, Concepcion PR:PROJECT_SUMMARY Nierras. Euan Ashley and Matthew Wheeler are the PIs for the Motrpac PR:PROJECT_SUMMARY Bioinformatics / Data Coordination Center. PR:INSTITUTE MoTrPAC PR:LAST_NAME Ashley PR:FIRST_NAME Euan A. PR:ADDRESS 300 Pasteur Dr Rm A265. MC 5319. Stanford CA 94305. USA PR:EMAIL euan@stanford.edu PR:PHONE (650) 498-4900 #STUDY ST:STUDY_TITLE MoTrPAC: Endurance exercise training study in young adult rats, Rat Lung Powder ST:STUDY_TITLE - Targeted Tricarboxylic Acid Cycle ST:STUDY_SUMMARY The goal of the endurance exercise training study in young adult rats (internal ST:STUDY_SUMMARY code: PASS1B-06) was to perform exercise training studies in adult (6 month) ST:STUDY_SUMMARY F344 rats, and from these rats collect as many tissues as feasible in order to ST:STUDY_SUMMARY provide high quality samples for detailed analysis by chemical analysis sites. ST:STUDY_SUMMARY Tissues were collected from 10-12 rats sedentary control rats concurrent with ST:STUDY_SUMMARY the collection of the 8-week training groups. The 8-week training group and ST:STUDY_SUMMARY controls were from the same cohort and same age at euthanasia (either 8). For ST:STUDY_SUMMARY the older age group, an additional set of controls (n=5-6) were collected with ST:STUDY_SUMMARY the 1-2 week training group. Rats were either sedentary or underwent an exercise ST:STUDY_SUMMARY training program. Rats were exercised on the rodent treadmill 5 days per week ST:STUDY_SUMMARY using a progressive training protocol designed to exercise the rats at ST:STUDY_SUMMARY approximately 70% of VO2max as outlined in the Table on the next page. Training ST:STUDY_SUMMARY was performed no earlier than 10:00 am and no later than 5:00 pm over 5 ST:STUDY_SUMMARY consecutive days per week. Training was initiated with the treadmill set at 70% ST:STUDY_SUMMARY of VO2 max (see tables) and 5 degrees grade for 20 minutes. The duration of ST:STUDY_SUMMARY exercise was increased by one minute each day until day 31 of training (start of ST:STUDY_SUMMARY week 7), when a duration of 50 min was reached. Speed and grade of each training ST:STUDY_SUMMARY session increased in larger increments due to treadmill parameters. The highest ST:STUDY_SUMMARY intensity and duration of training began on day 31. This intensity was ST:STUDY_SUMMARY maintained for the final 10 days of the protocol to ensure steady state had been ST:STUDY_SUMMARY achieved. If any rats were unable to perform at least 4 days of training per ST:STUDY_SUMMARY week they were removed from the study and euthanized. It is important to note ST:STUDY_SUMMARY that the starting treadmill speed varied depending on the sex and age of the ST:STUDY_SUMMARY rat. The initial and maximum speeds were based on VO2max measurements obtained ST:STUDY_SUMMARY during the pre-training testing of the compliant rats. Rats assigned to the ST:STUDY_SUMMARY control group followed a schedule similar to the training group. They were ST:STUDY_SUMMARY placed in one lane on the treadmill for 15 minutes/day, 5 days per week. The ST:STUDY_SUMMARY treadmill was set at 0 m/min at an incline that corresponded to the incline ST:STUDY_SUMMARY being used by the training group. ST:INSTITUTE Mayo Clinic ST:DEPARTMENT Internal Medicine ST:LABORATORY Mayo Clinic Metabolomics Resource Core (MCMRC) ST:LAST_NAME Nair ST:FIRST_NAME K. Sreekumaran ST:ADDRESS 200 1st St SW, Rochester, MN 55902 ST:EMAIL nair@mayo.edu ST:PHONE (507) 284-2511 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Rattus norvegicus SU:TAXONOMY_ID 10116 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS BC49E4EF-E2FE-4269-BAF0-461F768BD95D 90217016611 Group:Control | Timepoint:8 weeks of training or control time | Sex:Male | Tissue:Rat Lung Powder raw_file=23dec20_23.D.zip SUBJECT_SAMPLE_FACTORS 0BD282C7-7832-4581-9089-08A32D557034 90218016611 Group:Training | Timepoint:8 weeks of training or control time | Sex:Male | Tissue:Rat Lung Powder raw_file=23dec20_24.D.zip SUBJECT_SAMPLE_FACTORS 955498F4-70A0-4D50-A2BA-619A8FED8FEF 90222016611 Group:Training | Timepoint:8 weeks of training or control time | Sex:Male | Tissue:Rat Lung Powder raw_file=23dec20_25.D.zip SUBJECT_SAMPLE_FACTORS CFE06932-9314-4BCC-B2D9-73883D5FCDFB 90223016611 Group:Training | Timepoint:8 weeks of training or control time | Sex:Male | Tissue:Rat Lung Powder raw_file=23dec20_26.D.zip SUBJECT_SAMPLE_FACTORS 3719CB62-B551-49BE-94A0-E51DFE13D30D 90225016611 Group:Training | Timepoint:8 weeks of training or control time | Sex:Male | Tissue:Rat Lung Powder raw_file=23dec20_27.D.zip SUBJECT_SAMPLE_FACTORS 0559B193-BED3-4170-B045-10A2B6441CB6 90229016611 Group:Control | Timepoint:8 weeks of training or control time | Sex:Male | Tissue:Rat Lung Powder raw_file=23dec20_29.D.zip SUBJECT_SAMPLE_FACTORS 90CFE5A4-76FE-4458-A2B1-A66F0B60118E 90232016611 Group:Control | Timepoint:8 weeks of training or control time | Sex:Male | Tissue:Rat Lung Powder raw_file=23dec20_30.D.zip SUBJECT_SAMPLE_FACTORS F0D83B29-8EFA-4CDE-B1AA-2358AC220ECF 90237016611 Group:Control | Timepoint:8 weeks of training or control time | Sex:Male | Tissue:Rat Lung Powder raw_file=23dec20_31.D.zip SUBJECT_SAMPLE_FACTORS FCE9ABE6-B60B-4934-BAE5-56AF8B11ECEC 90239016611 Group:Control | Timepoint:8 weeks of training or control time | Sex:Male | Tissue:Rat Lung Powder raw_file=23dec20_32.D.zip SUBJECT_SAMPLE_FACTORS 1628FB23-6F66-47D4-8D82-63C87726F0FD 90245016611 Group:Control | Timepoint:8 weeks of training or control time | Sex:Female | Tissue:Rat Lung Powder raw_file=23dec20_33.D.zip SUBJECT_SAMPLE_FACTORS 69FD4884-786D-4F2A-97B1-6174FBD25D60 90248016611 Group:Control | Timepoint:8 weeks of training or control time | Sex:Female | Tissue:Rat Lung Powder raw_file=23dec20_34.D.zip SUBJECT_SAMPLE_FACTORS 0D5071F5-D166-4CF1-BE8B-EB4DF6E04C0E 90251016611 Group:Training | Timepoint:8 weeks of training or control time | Sex:Female | Tissue:Rat Lung Powder raw_file=23dec20_35.D.zip SUBJECT_SAMPLE_FACTORS 07AF7369-F082-4CA7-99D5-D973F4A162C9 90252016611 Group:Control | Timepoint:8 weeks of training or control time | Sex:Female | Tissue:Rat Lung Powder raw_file=23dec20_36.D.zip SUBJECT_SAMPLE_FACTORS 2479BEE5-2A38-4D09-B15B-B1715F561A9F 90254016611 Group:Training | Timepoint:8 weeks of training or control time | Sex:Female | Tissue:Rat Lung Powder raw_file=23dec20_37.D.zip SUBJECT_SAMPLE_FACTORS 04C84D7E-FC8C-422F-AE4B-CAFADB63407B 90259016611 Group:Training | Timepoint:8 weeks of training or control time | Sex:Female | Tissue:Rat Lung Powder raw_file=23dec20_39.D.zip SUBJECT_SAMPLE_FACTORS F9BEE1FA-E2DB-4BE4-A79C-99D585D6FD17 90265016611 Group:Control | Timepoint:8 weeks of training or control time | Sex:Female | Tissue:Rat Lung Powder raw_file=23dec20_40.D.zip SUBJECT_SAMPLE_FACTORS A77AC89A-1D9E-4516-9DA4-2BE99C8126EF 90266016611 Group:Control | Timepoint:8 weeks of training or control time | Sex:Female | Tissue:Rat Lung Powder raw_file=23dec20_41.D.zip SUBJECT_SAMPLE_FACTORS 22D700B9-EDD0-4BC8-8155-EB9C39417F81 90280016611 Group:Training | Timepoint:4 weeks of training | Sex:Male | Tissue:Rat Lung Powder raw_file=23dec20_43.D.zip SUBJECT_SAMPLE_FACTORS 1CA4210C-3CE6-4A5A-996B-673EBDEB3B81 90281016611 Group:Training | Timepoint:4 weeks of training | Sex:Male | Tissue:Rat Lung Powder raw_file=23dec20_44.D.zip SUBJECT_SAMPLE_FACTORS 9F3E1040-D409-421E-B635-2572DC20ED89 90283016611 Group:Training | Timepoint:4 weeks of training | Sex:Male | Tissue:Rat Lung Powder raw_file=23dec20_45.D.zip SUBJECT_SAMPLE_FACTORS 569A9229-04E8-414A-A195-FE9E8F1B66AB 90289016611 Group:Training | Timepoint:4 weeks of training | Sex:Male | Tissue:Rat Lung Powder raw_file=23dec20_46.D.zip SUBJECT_SAMPLE_FACTORS E4271AF1-899A-4A65-9D8D-BF18CEE3F1CF 90292016611 Group:Training | Timepoint:4 weeks of training | Sex:Male | Tissue:Rat Lung Powder raw_file=23dec20_47.D.zip SUBJECT_SAMPLE_FACTORS F65955CE-E49F-48C7-B861-02A2FDF6F9B8 90227016611 Group:Training | Timepoint:8 weeks of training or control time | Sex:Male | Tissue:Rat Lung Powder raw_file=23dec20_66.D.zip SUBJECT_SAMPLE_FACTORS 0A4A7935-3AF4-463F-84E3-DCF07671509D 90258016611 Group:Training | Timepoint:8 weeks of training or control time | Sex:Female | Tissue:Rat Lung Powder raw_file=23dec20_67.D.zip SUBJECT_SAMPLE_FACTORS 2B969165-1A52-43AA-8FD9-39AFA62F094F 90267016611 Group:Training | Timepoint:8 weeks of training or control time | Sex:Female | Tissue:Rat Lung Powder raw_file=23dec20_68.D.zip SUBJECT_SAMPLE_FACTORS 2E37478F-525F-4E5E-A882-EE75FD0CFB29 90406016611 Group:Training | Timepoint:4 weeks of training | Sex:Female | Tissue:Rat Lung Powder raw_file=30dec20_22.D.zip SUBJECT_SAMPLE_FACTORS A9CE3E3D-31A0-4443-8A7F-8FD831D79248 90410016611 Group:Training | Timepoint:4 weeks of training | Sex:Female | Tissue:Rat Lung Powder raw_file=30dec20_23.D.zip SUBJECT_SAMPLE_FACTORS FE012DC0-AF32-4C70-A4D4-F042B8BC4EC6 90420016611 Group:Training | Timepoint:4 weeks of training | Sex:Female | Tissue:Rat Lung Powder raw_file=30dec20_26.D.zip SUBJECT_SAMPLE_FACTORS 6D680EA2-C62B-4A35-8B6E-2ED6A79CB017 90421016611 Group:Training | Timepoint:1 week of training or control time | Sex:Male | Tissue:Rat Lung Powder raw_file=30dec20_27.D.zip SUBJECT_SAMPLE_FACTORS 53F914B0-FD4F-4340-84A6-48341EAB3798 90422016611 Group:Training | Timepoint:1 week of training or control time | Sex:Male | Tissue:Rat Lung Powder raw_file=30dec20_28.D.zip SUBJECT_SAMPLE_FACTORS D350D633-8D95-4783-99F2-BB8294D2EC32 90423016611 Group:Training | Timepoint:1 week of training or control time | Sex:Male | Tissue:Rat Lung Powder raw_file=30dec20_29.D.zip SUBJECT_SAMPLE_FACTORS 0DBFEB04-1B58-43CF-BAFD-9AA9915B67F6 90426016611 Group:Training | Timepoint:1 week of training or control time | Sex:Male | Tissue:Rat Lung Powder raw_file=30dec20_30.D.zip SUBJECT_SAMPLE_FACTORS 10E282EB-1DBA-406E-BD5D-81027083A01D 90430016611 Group:Training | Timepoint:1 week of training or control time | Sex:Male | Tissue:Rat Lung Powder raw_file=30dec20_31.D.zip SUBJECT_SAMPLE_FACTORS 4E974304-21EB-42E8-A729-A7FB6B406E64 90439016611 Group:Training | Timepoint:2 weeks of training | Sex:Male | Tissue:Rat Lung Powder raw_file=30dec20_32.D.zip SUBJECT_SAMPLE_FACTORS 6527EC12-E7EB-4F17-BF0A-0AC7CD1819A0 90441016611 Group:Training | Timepoint:2 weeks of training | Sex:Male | Tissue:Rat Lung Powder raw_file=30dec20_33.D.zip SUBJECT_SAMPLE_FACTORS AEB1611A-F29E-43F8-B9F3-A2BC4F9EB504 90444016611 Group:Training | Timepoint:2 weeks of training | Sex:Male | Tissue:Rat Lung Powder raw_file=30dec20_34.D.zip SUBJECT_SAMPLE_FACTORS FDA87A8D-3634-4C42-9A1A-0EA03B58BB01 90449016611 Group:Training | Timepoint:2 weeks of training | Sex:Male | Tissue:Rat Lung Powder raw_file=30dec20_35.D.zip SUBJECT_SAMPLE_FACTORS CDCFA3F1-07ED-4737-A36D-15EFEC325AA5 90450016611 Group:Training | Timepoint:2 weeks of training | Sex:Male | Tissue:Rat Lung Powder raw_file=30dec20_36.D.zip SUBJECT_SAMPLE_FACTORS EA5C8932-9325-4DA5-96BB-50CD49CEDD10 90560016611 Group:Training | Timepoint:1 week of training or control time | Sex:Female | Tissue:Rat Lung Powder raw_file=30dec20_38.D.zip SUBJECT_SAMPLE_FACTORS 0645F621-878C-4C9B-84A6-58862BAA17D9 90564016611 Group:Training | Timepoint:1 week of training or control time | Sex:Female | Tissue:Rat Lung Powder raw_file=30dec20_39.D.zip SUBJECT_SAMPLE_FACTORS 68083256-8DAA-4185-B446-0CAF600474B5 90567016611 Group:Training | Timepoint:1 week of training or control time | Sex:Female | Tissue:Rat Lung Powder raw_file=30dec20_40.D.zip SUBJECT_SAMPLE_FACTORS 6A013AA1-4D1E-4B75-B691-6BA22D928E51 90571016611 Group:Training | Timepoint:1 week of training or control time | Sex:Female | Tissue:Rat Lung Powder raw_file=30dec20_41.D.zip SUBJECT_SAMPLE_FACTORS B137E81D-A9DE-4E3A-8E2B-AD6C22920B7E 90576016611 Group:Training | Timepoint:2 weeks of training | Sex:Female | Tissue:Rat Lung Powder raw_file=30dec20_42.D.zip SUBJECT_SAMPLE_FACTORS DC8B35E8-4AA8-4829-8569-F223D069620C 90578016611 Group:Training | Timepoint:2 weeks of training | Sex:Female | Tissue:Rat Lung Powder raw_file=30dec20_43.D.zip SUBJECT_SAMPLE_FACTORS 8904857C-2073-4BBA-AC7C-1EC239E5BFF7 90581016611 Group:Training | Timepoint:2 weeks of training | Sex:Female | Tissue:Rat Lung Powder raw_file=30dec20_44.D.zip SUBJECT_SAMPLE_FACTORS 1F9BD644-303F-43E7-94BE-FF6654306F5E 90585016611 Group:Training | Timepoint:2 weeks of training | Sex:Female | Tissue:Rat Lung Powder raw_file=30dec20_45.D.zip SUBJECT_SAMPLE_FACTORS 0409BED3-F9FE-4C06-9920-74F5E5CA04A3 90587016611 Group:Training | Timepoint:2 weeks of training | Sex:Female | Tissue:Rat Lung Powder raw_file=30dec20_46.D.zip SUBJECT_SAMPLE_FACTORS 3D5BC47C-BB3D-45A2-8DB8-D7ADCD51997C 90412016611 Group:Training | Timepoint:4 weeks of training | Sex:Female | Tissue:Rat Lung Powder raw_file=30dec20_64.D.zip SUBJECT_SAMPLE_FACTORS 89D6F615-D17C-4EB9-88EB-A602940FF179 90416016611 Group:Training | Timepoint:4 weeks of training | Sex:Female | Tissue:Rat Lung Powder raw_file=30dec20_65.D.zip SUBJECT_SAMPLE_FACTORS B73AB139-7210-4498-9CCF-E1DBE6EBA71C 90559016611 Group:Training | Timepoint:1 week of training or control time | Sex:Female | Tissue:Rat Lung Powder raw_file=30dec20_66.D.zip #COLLECTION CO:SAMPLE_TYPE Lung #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY homogenized in PBS, isotope IS added, deproteinized, 2 steps derivatization with SP:SAMPLEPREP_SUMMARY ethoxamine, MTBSTFA #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Analytes were chromatographically separated with 17 minutes GC gradient CH:CHROMATOGRAPHY_TYPE gas phase CH:INSTRUMENT_NAME Agilent Intuvo 9000 GC CH:COLUMN_NAME Agilent DB5-MS (30m x 0.25mm, 0.25um) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_TYPE Single quadrupole MS:INSTRUMENT_NAME Agilent 5977B HES MSD MS:MS_TYPE EI MS:ION_MODE POSITIVE MS:MS_COMMENTS SIM; peak integration, concentrations calculated #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS nano moles per vial MS_METABOLITE_DATA_START Samples 90217016611 90218016611 90222016611 90223016611 90225016611 90227016611 90229016611 90232016611 90237016611 90239016611 90245016611 90248016611 90251016611 90252016611 90254016611 90258016611 90259016611 90265016611 90266016611 90267016611 90280016611 90281016611 90283016611 90289016611 90292016611 90406016611 90410016611 90412016611 90416016611 90420016611 90421016611 90422016611 90423016611 90426016611 90430016611 90439016611 90441016611 90444016611 90449016611 90450016611 90559016611 90560016611 90564016611 90567016611 90571016611 90576016611 90578016611 90581016611 90585016611 90587016611 Lactate 17.8147 5.4422 9.9877 7.0767 12.8211 18.8923 10.8055 6.8376 7.3834 4.8734 13.9465 8.4749 17.0878 13.9616 12.7438 16.3109 9.2672 15.1543 6.8427 13.4146 5.7935 4.7252 7.4128 5.1813 3.2543 7.317 9.4644 17.1251 9.1641 14.163 5.3505 8.4154 8.765 5.2554 5.4221 11.7438 6.2669 6.406 5.0183 4.5701 22.0416 9.9835 20.0685 12.0487 16.0851 17.6604 11.596 6.1413 9.7447 7.7252 Succinate 0.5901 0.4661 0.6136 0.8347 0.9801 0.4484 0.7142 0.8109 0.9091 0.5372 0.7898 0.6383 0.7966 0.6687 1.0783 0.3646 0.5385 0.6565 0.4118 0.4899 0.5147 0.4861 0.5722 0.6275 0.384 0.1825 0.1181 0.1872 0.1697 0.2294 0.183 0.1724 0.4136 0.2257 0.205 0.33 0.189 0.1723 0.1705 0.1451 0.2083 0.1334 0.2344 0.1731 0.1645 0.1862 0.2228 0.177 0.1591 0.2006 Fumarate 0.7356 0.5077 0.6271 0.7159 0.9295 0.7348 0.775 0.7838 0.7997 0.5637 0.8737 0.6966 0.9857 0.7969 0.8584 0.7962 0.5778 0.7171 0.5253 0.668 0.5982 0.5782 0.6194 0.718 0.4798 1.3431 0.5862 0.6724 0.5209 0.8297 0.5922 0.654 0.6671 0.6312 0.6753 0.9207 0.4985 0.6212 0.4356 0.5192 0.8477 0.5644 0.9672 0.6947 0.8007 0.6804 0.6906 0.4837 0.4508 0.6606 Oxaloacetate 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Ketoglutarate 0.0947 0.1856 0.0968 0.0957 0.1242 0.1366 0.1036 0.1062 0.1663 0.0701 0.1014 0.0891 0.1078 0.0922 0.1028 0.0984 0.0769 0.0687 0.0751 0.0984 0.0693 0.0652 0.067 0.0713 0.1081 2.2593 0.032 0.0435 0.013 0.0158 0.0142 0.0035 0.0141 0.0105 0.0292 0.0127 0.0223 0.0244 0.0222 0.0022 0.0503 0.0213 0.0238 0.0396 0.0369 0.0362 0.0068 0.0245 0.0243 0.0031 Malate 0.9539 0.6149 0.79 0.8347 1.0274 1.0433 0.9506 0.876 0.9055 0.6215 1.042 0.9044 1.2892 1.06 1.0642 1.1797 0.7487 0.9878 0.7276 0.9715 0.7091 0.6895 0.809 0.7733 0.5502 1.0405 1.0883 1.487 1.0224 1.4098 0.8828 1.203 0.8781 0.9824 1.0123 1.5064 0.7945 0.9524 0.7009 0.8409 1.5887 1.0636 1.6679 1.2927 1.4159 1.3452 1.239 0.8651 0.9636 1.1251 Aspartate 2.845 2.5333 2.7371 3.2652 3.5764 2.6563 3.1789 3.7111 3.9041 2.0337 3.3867 2.9158 3.3852 2.9352 3.7088 3.2471 2.7075 2.5453 2.0851 3.3365 2.7805 2.6334 3.0362 3.1024 2.3053 2.5086 2.0726 2.5123 2.2504 2.7537 2.7895 2.5825 2.9703 3.0103 2.9831 3.8398 2.0347 2.6608 1.7406 2.2411 2.3015 2.0605 3.1486 2.5928 2.797 2.0538 2.1379 1.8138 1.4784 2.42 2-Hydroxyglutarate 0.0156 0.0116 0.0154 0.0192 0.0278 0.0224 0.0219 0.0217 0.0207 0.011 0.0205 0.0139 0.0222 0.0165 0.02 0.021 0.011 0.0127 0.0106 0.021 0.0136 0.0128 0.015 0.0166 0.009 0.0297 0.0243 0.0323 0.0266 0.0331 0.0269 0.0333 0.036 0.0294 0.0346 0.0438 0.026 0.0295 0.0224 0.0272 0.0322 0.026 0.0398 0.0311 0.0357 0.0287 0.0313 0.0251 0.0218 0.0306 Glutamate 7.6131 6.3727 7.0978 8.4231 10.7899 9.0289 8.5549 9.1198 9.9739 6.3665 9.1959 8.0285 9.8375 7.831 9.8987 10.1965 7.8095 7.9974 6.0891 10.0101 7.0925 7.3772 8.1177 8.0139 5.9725 7.7276 7.0945 8.9406 7.5102 8.8508 6.9652 8.6371 8.6606 7.8268 8.0698 10.6949 6.4466 7.3941 5.5757 6.5308 7.8429 7.585 9.6802 8.326 9.177 6.7913 7.8717 5.8496 5.7763 7.4555 cis-aconitate 0.037 0.0277 0.0307 0.0329 0.0395 0.0502 0.0347 0.0334 0.037 0.0299 0.0428 0.0367 0.0416 0.038 0.0444 0.0484 0.0403 0.0428 0.0277 0.042 0.027 0.0293 0.0303 0.0375 0.0273 0.0347 0.0542 0.0733 0.0537 0.0556 0.0542 0.0553 0.062 0.0503 0.0541 0.0596 0.0517 0.053 0.0467 0.0494 0.0591 0.0525 0.0704 0.0675 0.0623 0.0553 0.0572 0.0502 0.0514 0.0628 Citrate 0.925 0.6746 0.7598 0.9534 1.1086 1.0312 1.0666 1.0127 1.091 0.7585 1.1738 1.1734 1.312 1.099 1.1758 1.1039 0.7442 0.8935 0.726 1.1646 0.6958 0.6892 0.8727 0.7938 0.6317 0.81 0.8598 1.0745 0.8088 1.0294 0.7946 1.0584 1.2325 0.8745 0.9534 1.3445 0.7007 0.9013 0.6618 0.7288 1.0378 0.828 1.4084 1.0728 1.1738 0.8801 1.0757 0.7748 0.7631 0.9684 Isocitrate 0.0519 0.039 0.0416 0.0476 0.0558 0.0556 0.0519 0.0504 0.0547 0.043 0.0615 0.054 0.0663 0.0571 0.0601 0.0578 0.045 0.0489 0.0404 0.0581 0.0406 0.0394 0.0472 0.0469 0.038 0.0539 0.0568 0.073 0.0514 0.0626 0.0548 0.0623 0.071 0.0537 0.0554 0.0734 0.0484 0.0547 0.0464 0.0496 0.0639 0.0563 0.0843 0.0699 0.071 0.0561 0.0684 0.0536 0.0535 0.0685 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name formula mz neutral_mass refmet_name rt Lactate C3H6O3 261 90.0317 Lactic acid 4.18 Succinate C4H6O4 289 118.0266 Succinic acid 5.19 Fumarate C4H4O4 287 116.011 Fumaric acid 6.13 Oxaloacetate C4H4O5 346 132.0059 Oxaloacetic acid 8.37 Ketoglutarate C5H6O5 360 146.0215 Oxoglutaric acid 8.37 Malate C4H6O5 419 134.0215 Malic acid 8.93 Aspartate C4H7NO4 418 133.0375 Aspartic acid 9.37 2-Hydroxyglutarate C5H8O5 433 148.114 2-Hydroxyglutaric acid 9.98 Glutamate C5H9NO4 432 147.0532 Glutamic acid 10.58 cis-aconitate C6H6O6 459 174.0164 cis-Aconitic acid 14.08 Citrate C6H8O7 591 192.027 Citric acid 14.09 Isocitrate C6H8O7 591 192.027 Isocitric acid 14.09 METABOLITES_END #END