#METABOLOMICS WORKBENCH araskind_20150313_9077291_mwtab.txt DATATRACK_ID:219 STUDY_ID:ST000145 ANALYSIS_ID:AN000231 PROJECT_ID:PR000129 VERSION 1 CREATED_ON 01-15-2019 #PROJECT PR:PROJECT_TITLE Metabolic effects of Noxa PR:PROJECT_SUMMARY labeled glutamine metabolomics on Noxa expressing cells PR:INSTITUTE University of Minnesota PR:DEPARTMENT Masonic Cancer Center PR:LABORATORY Kelekar Lab PR:LAST_NAME Kelekar PR:FIRST_NAME Ameeta PR:ADDRESS 420 Delaware Street SE,Minneapolis, MN 55455 PR:EMAIL ameeta@umn.edu PR:PHONE 612-626-2358 PR:DOI http://dx.doi.org/10.21228/M85C7W #STUDY ST:STUDY_TITLE Primary T Cell Noxa Knockdown (Donor 8) ST:STUDY_SUMMARY Cells were deprived of glucose or glutamine for 1 h then resuspended in 10mM ST:STUDY_SUMMARY [13C1,2] D-glucose labeled or 4 mM [13C5]-U-glutamine labeled medium, ST:STUDY_SUMMARY respectively. At this time cells were also activated with 5 ug/ml anti-CD3 and ST:STUDY_SUMMARY anti-CD28. Cells were labeled (and activated) for 12 h when samples were spun ST:STUDY_SUMMARY down, and cells were resuspended in 200 ul ice cold methanol ST:INSTITUTE University of Michigan ST:DEPARTMENT Biomedical Research Core Facilities ST:LABORATORY Metabolomics core ST:LAST_NAME Kachman ST:FIRST_NAME Maureen ST:ADDRESS 6300 Brehm Tower, 1000 Wall Street, Ann Arbor, MI 48105-5714 ST:EMAIL mkachman@umich.edu ST:PHONE - #SUBJECT SU:SUBJECT_TYPE Human cells SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:SPECIES_GROUP Human #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS SU0005337 S00016916 Label:Glucose SUBJECT_SAMPLE_FACTORS SU0005338 S00016917 Label:Glucose SUBJECT_SAMPLE_FACTORS SU0005339 S00016918 Label:Glucose SUBJECT_SAMPLE_FACTORS SU0005340 S00016919 Label:Glucose SUBJECT_SAMPLE_FACTORS SU0005341 S00016920 Label:Glucose SUBJECT_SAMPLE_FACTORS SU0005342 S00016921 Label:Glucose SUBJECT_SAMPLE_FACTORS SU0005350 S00016929 Label:Glucose SUBJECT_SAMPLE_FACTORS SU0005343 S00016922 Label:Glutamine SUBJECT_SAMPLE_FACTORS SU0005344 S00016923 Label:Glutamine SUBJECT_SAMPLE_FACTORS SU0005345 S00016924 Label:Glutamine SUBJECT_SAMPLE_FACTORS SU0005346 S00016925 Label:Glutamine SUBJECT_SAMPLE_FACTORS SU0005347 S00016926 Label:Glutamine SUBJECT_SAMPLE_FACTORS SU0005348 S00016927 Label:Glutamine SUBJECT_SAMPLE_FACTORS SU0005349 S00016928 Label:Glutamine SUBJECT_SAMPLE_FACTORS SU0005351 S00016930 Label:Glutamine #COLLECTION CO:SAMPLE_TYPE Cells CO:COLLECTION_SUMMARY - #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_PROTOCOL_FILENAME Fluxomics_analysis_protocol-2015-03-11.pdf SP:SAMPLEPREP_SUMMARY - #CHROMATOGRAPHY CH:METHODS_ID AQM011 CH:METHODS_FILENAME ALPHA_KETO_ACIDS-FULL.M.zip CH:INSTRUMENT_NAME Agilent 7890A CH:COLUMN_NAME Agilent DB5-MS (30m × 0.25mm, 0.25um) CH:CHROMATOGRAPHY_TYPE GC #ANALYSIS AN:LABORATORY_NAME MRC2 (University of Michigan) AN:ANALYSIS_TYPE MS AN:ACQUISITION_PARAMETERS_FILE ALPHA_KETO_ACIDS-FULL.M.zip #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Agilent 5975C MS:INSTRUMENT_TYPE Single quadrupole MS:MS_TYPE EI MS:ION_MODE POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Area MS_METABOLITE_DATA_START Samples S00016916 S00016917 S00016918 S00016919 S00016920 S00016921 S00016929 S00016922 S00016923 S00016924 S00016925 S00016926 S00016927 S00016928 S00016930 Factors Label:Glucose Label:Glucose Label:Glucose Label:Glucose Label:Glucose Label:Glucose Label:Glucose Label:Glutamine Label:Glutamine Label:Glutamine Label:Glutamine Label:Glutamine Label:Glutamine Label:Glutamine Label:Glutamine Alanine_123 312.4652 720.6374 658.8131 325.6180 510.7635 534.4312 13772.1597 443.6435 441.5667 464.9851 1122.6961 443.7523 1029.1588 33213.5914 27756.3470 Alanine_123_13C_1 81.7748 3.7233 Alanine_123_13C_2 Alanine_123_13C_3 alpha-Ketoglutarate_12345 95.5024 156.0406 202.2364 91.4566 383.0019 82.7759 464.6922 29737.0000 alpha-Ketoglutarate_12345_13C_1 487.2824 alpha-Ketoglutarate_12345_13C_2 424.6282 alpha-Ketoglutarate_12345_13C_3 557.9651 alpha-Ketoglutarate_12345_13C_4 11.7547 alpha-Ketoglutarate_12345_13C_5 Aspartate_1234 6722.3213 9758.8441 7771.1939 6290.4812 9267.2775 12597.8580 41111.8328 10539.1161 12382.9408 13716.3502 17883.4780 11530.5200 21336.5167 119095.5915 119535.8358 Aspartate_1234_13C_1 1743.9237 1971.2457 1578.3705 1623.0831 1997.6264 3167.5053 688.7369 1167.0343 2108.0221 2654.3101 1808.8440 1563.9318 2916.9455 812.5435 Aspartate_1234_13C_2 1333.3979 2796.2029 1527.5829 2014.0186 2096.8800 3318.1712 780.2813 1231.7749 1698.1135 1119.5881 860.6174 1736.6338 578.7110 Aspartate_1234_13C_3 849.2471 754.0698 901.2172 391.8141 900.0205 949.9900 72.3969 218.5714 246.9959 36.6149 445.4630 293.7591 476.4639 292.7271 Aspartate_1234_13C_4 131.1579 147.7111 254.3778 50.1471 14.7682 1105.2017 1615.2195 1766.4612 2018.7663 1561.9543 2721.8785 85.0228 Fumarate_1234 76.8163 256.5548 343.7748 136.9857 176.0426 417.4511 126.0316 620.2727 334.3396 513.6032 Fumarate_1234_13C_1 2.6332 Fumarate_1234_13C_2 Fumarate_1234_13C_3 Fumarate_1234_13C_4 Glutamate_12345 27364.9492 36031.9342 28032.5843 28119.9813 35568.5221 46005.4272 39589.1642 36323.4875 46517.2929 55663.8790 62523.3884 45279.2787 82454.6182 84868.5872 100502.8320 Glutamate_12345_13C_1 5333.9072 8137.6733 6369.5614 5900.3602 7584.9487 9750.8975 5162.3983 7946.2853 8150.5550 9575.9782 7115.6639 12586.2552 695.7083 Glutamate_12345_13C_2 9963.7973 13199.9795 9849.9051 9876.2421 13518.0056 16771.4657 31.8326 3156.9053 3622.2195 3347.9946 4820.1790 3280.9879 6032.4176 614.7002 906.7987 Glutamate_12345_13C_3 2540.7297 3785.4349 3109.9785 3371.6198 3414.1798 3959.0429 4617.8050 6365.8605 8026.0168 10169.5501 5700.9258 11763.6729 Glutamate_12345_13C_4 1450.3780 2508.2641 1028.3960 1282.6891 1598.7696 2172.0145 50.3376 453.9201 719.6930 886.4083 276.2998 907.7401 1101.5289 Glutamate_12345_13C_5 144.4496 256.6563 263.7136 643.2610 531.7572 7612.9046 11076.4584 12592.7125 14959.9890 10353.5371 20127.4036 1720.8375 Glutamine_12345 151.2605 1295.8966 4990.5564 361.1535 Glutamine_12345_13C_1 364.4423 370.3888 Glutamine_12345_13C_2 28.5584 Glutamine_12345_13C_3 Glutamine_12345_13C_4 777.1473 Glutamine_12345_13C_5 197.4990 1243.7215 103627.5507 Lactate_123 12802.7475 17489.9806 14069.0129 14217.0928 22650.6776 19170.1826 8509.1519 17305.0667 19105.0253 19957.3626 25147.5809 18247.3289 34069.8767 15121.4566 15450.7375 Lactate_123_13C_1 61.7342 462.2065 11.1816 340.7906 20.6262 460.9155 253.9650 Lactate_123_13C_2 1112.8625 2571.8366 1354.1657 1639.1558 1777.0577 2814.3934 16.4294 71.5480 157.4419 16.5850 85.9227 336.6913 21.2161 153.1613 Lactate_123_13C_3 25.4116 43.7023 318.2842 147.8890 217.9855 270.7860 231.3885 46.1506 536.0456 130.4211 Oxaloacetate_1234 1.2207 1.5157 1.2797 1.1556 1.4000 1.8442 0.8297 1.6756 1.3150 1.1902 2.0329 1.0089 1.3758 3.2543 1.9498 Oxaloacetate_1234_13C_1 Oxaloacetate_1234_13C_2 Oxaloacetate_1234_13C_3 Oxaloacetate_1234_13C_4 Pyruvate_123 280.1965 131.9650 1689.3292 181.3412 253.5926 336.4505 172.5387 222.9281 3049.0735 1573.8894 Pyruvate_123_13C_1 Pyruvate_123_13C_2 108.1473 Pyruvate_123_13C_3 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name pubchem_id inchi_key kegg_id other_id other_id_type ri ri_type moverz_quant Alanine_123 5950 C00041 ALA_123 UM_Target_ID Alanine_123_13C_1 5950 C00041 ALA_123_13C_1 UM_Target_ID Alanine_123_13C_2 5950 C00041 ALA_123_13C_2 UM_Target_ID Alanine_123_13C_3 5950 C00041 ALA_123_13C_3 UM_Target_ID alpha-Ketoglutarate_12345 51 C00026 AKG_12345 UM_Target_ID alpha-Ketoglutarate_12345_13C_1 51 C00026 AKG_12345_13C_1 UM_Target_ID alpha-Ketoglutarate_12345_13C_2 51 C00026 AKG_12345_13C_2 UM_Target_ID alpha-Ketoglutarate_12345_13C_3 51 C00026 AKG_12345_13C_3 UM_Target_ID alpha-Ketoglutarate_12345_13C_4 51 C00026 AKG_12345_13C_4 UM_Target_ID alpha-Ketoglutarate_12345_13C_5 51 C00026 AKG_12345_13C_5 UM_Target_ID Aspartate_1234 5960 C00049 ASP_1234 UM_Target_ID Aspartate_1234_13C_1 5960 C00049 ASP_1234_13C_1 UM_Target_ID Aspartate_1234_13C_2 5960 C00049 ASP_1234_13C_2 UM_Target_ID Aspartate_1234_13C_3 5960 C00049 ASP_1234_13C_3 UM_Target_ID Aspartate_1234_13C_4 5960 C00049 ASP_1234_13C_4 UM_Target_ID Fumarate_1234 444972 C00122 FUM_1234 UM_Target_ID Fumarate_1234_13C_1 444972 C00122 FUM_1234_13C_1 UM_Target_ID Fumarate_1234_13C_2 444972 C00122 FUM_1234_13C_2 UM_Target_ID Fumarate_1234_13C_3 444972 C00122 FUM_1234_13C_3 UM_Target_ID Fumarate_1234_13C_4 444972 C00122 FUM_1234_13C_4 UM_Target_ID Glutamate_12345 33032 GLU_12345 UM_Target_ID Glutamate_12345_13C_1 33032 GLU_12345_13C_1 UM_Target_ID Glutamate_12345_13C_2 33032 GLU_12345_13C_2 UM_Target_ID Glutamate_12345_13C_3 33032 GLU_12345_13C_3 UM_Target_ID Glutamate_12345_13C_4 33032 GLU_12345_13C_4 UM_Target_ID Glutamate_12345_13C_5 33032 GLU_12345_13C_5 UM_Target_ID Glutamine_12345 5961 C00064 GLN_12345 UM_Target_ID Glutamine_12345_13C_1 5961 C00064 GLN_12345_13C_1 UM_Target_ID Glutamine_12345_13C_2 5961 C00064 GLN_12345_13C_2 UM_Target_ID Glutamine_12345_13C_3 5961 C00064 GLN_12345_13C_3 UM_Target_ID Glutamine_12345_13C_4 5961 C00064 GLN_12345_13C_4 UM_Target_ID Glutamine_12345_13C_5 5961 C00064 GLN_12345_13C_5 UM_Target_ID Lactate_123 107689 C00186 LAC_123 UM_Target_ID Lactate_123_13C_1 107689 C00186 LAC_123_13C_1 UM_Target_ID Lactate_123_13C_2 107689 C00186 LAC_123_13C_2 UM_Target_ID Lactate_123_13C_3 107689 C00186 LAC_123_13C_3 UM_Target_ID Oxaloacetate_1234 970 C00036 OAA_1234 UM_Target_ID Oxaloacetate_1234_13C_1 970 C00036 OAA_1234_13C_1 UM_Target_ID Oxaloacetate_1234_13C_2 970 C00036 OAA_1234_13C_2 UM_Target_ID Oxaloacetate_1234_13C_3 970 C00036 OAA_1234_13C_3 UM_Target_ID Oxaloacetate_1234_13C_4 970 C00036 OAA_1234_13C_4 UM_Target_ID Pyruvate_123 1060 C00022 PYR_123 UM_Target_ID Pyruvate_123_13C_1 1060 C00022 PYR_123_13C_1 UM_Target_ID Pyruvate_123_13C_2 1060 C00022 PYR_123_13C_2 UM_Target_ID Pyruvate_123_13C_3 1060 C00022 PYR_123_13C_3 UM_Target_ID METABOLITES_END #END