#METABOLOMICS WORKBENCH araskind_20150313_9717281_mwtab.txt DATATRACK_ID:218 STUDY_ID:ST000144 ANALYSIS_ID:AN000229 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 Baseline (Donor 5) - II ST:STUDY_TYPE Cell labeling ST:STUDY_SUMMARY Labeling of cells was carried out in triplicate with each unstimulated sample ST:STUDY_SUMMARY containing 20e6 cells and stimulated cells containing 12.8e6 cells. Cells were ST:STUDY_SUMMARY deprived of glucose or glutamine for 1 h then resuspended in 10mM [13C1,2] ST:STUDY_SUMMARY D-glucose labeled medium. At this time cells were also activated with 1 ug/ml ST:STUDY_SUMMARY anti-CD3 and anti-CD28. Cells were labeled (and activated) for 12 h when 1 ml ST:STUDY_SUMMARY of spent medium was collected and cells were resuspended in 200 ul ice cold ST:STUDY_SUMMARY methanol. All samples were immediately stored in -80°C. 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 SU0004444 S00015393 Label:Glucose | Stimulated:N | Donor:5 SUBJECT_SAMPLE_FACTORS SU0004445 S00015394 Label:Glucose | Stimulated:N | Donor:5 SUBJECT_SAMPLE_FACTORS SU0004446 S00015395 Label:Glucose | Stimulated:N | Donor:5 SUBJECT_SAMPLE_FACTORS SU0004450 S00015405 Label:Glucose | Stimulated:N | Donor:5 SUBJECT_SAMPLE_FACTORS SU0004451 S00015406 Label:Glucose | Stimulated:N | Donor:5 SUBJECT_SAMPLE_FACTORS SU0004452 S00015407 Label:Glucose | Stimulated:N | Donor:5 SUBJECT_SAMPLE_FACTORS SU0004447 S00015396 Label:Glucose | Stimulated:Y | Donor:5 SUBJECT_SAMPLE_FACTORS SU0004448 S00015397 Label:Glucose | Stimulated:Y | Donor:5 SUBJECT_SAMPLE_FACTORS SU0004449 S00015398 Label:Glucose | Stimulated:Y | Donor:5 SUBJECT_SAMPLE_FACTORS SU0004453 S00015408 Label:Glucose | Stimulated:Y | Donor:5 SUBJECT_SAMPLE_FACTORS SU0004454 S00015409 Label:Glucose | Stimulated:Y | Donor:5 SUBJECT_SAMPLE_FACTORS SU0004455 S00015410 Label:Glucose | Stimulated:Y | Donor:5 SUBJECT_SAMPLE_FACTORS SU0004459 S00015420 Label:Glutamine | Stimulated:N | Donor:6 SUBJECT_SAMPLE_FACTORS SU0004460 S00015421 Label:Glutamine | Stimulated:N | Donor:6 SUBJECT_SAMPLE_FACTORS SU0004461 S00015422 Label:Glutamine | Stimulated:N | Donor:6 SUBJECT_SAMPLE_FACTORS SU0004465 S00015432 Label:Glutamine | Stimulated:N | Donor:6 SUBJECT_SAMPLE_FACTORS SU0004466 S00015433 Label:Glutamine | Stimulated:N | Donor:6 SUBJECT_SAMPLE_FACTORS SU0004467 S00015434 Label:Glutamine | Stimulated:N | Donor:6 SUBJECT_SAMPLE_FACTORS SU0004462 S00015423 Label:Glutamine | Stimulated:Y | Donor:6 SUBJECT_SAMPLE_FACTORS SU0004463 S00015424 Label:Glutamine | Stimulated:Y | Donor:6 SUBJECT_SAMPLE_FACTORS SU0004464 S00015425 Label:Glutamine | Stimulated:Y | Donor:6 SUBJECT_SAMPLE_FACTORS SU0004468 S00015435 Label:Glutamine | Stimulated:Y | Donor:6 SUBJECT_SAMPLE_FACTORS SU0004469 S00015436 Label:Glutamine | Stimulated:Y | Donor:6 SUBJECT_SAMPLE_FACTORS SU0004470 S00015437 Label:Glutamine | Stimulated:Y | Donor:6 #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:TUBE_LENS_VOLTAGE Positive #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Area MS_METABOLITE_DATA_START Samples S00015393 S00015394 S00015395 S00015405 S00015406 S00015407 S00015396 S00015397 S00015398 S00015408 S00015409 S00015410 S00015420 S00015421 S00015422 S00015432 S00015433 S00015434 S00015423 S00015424 S00015425 S00015435 S00015436 S00015437 Factors Label:Glucose | Stimulated:N | Donor:5 Label:Glucose | Stimulated:N | Donor:5 Label:Glucose | Stimulated:N | Donor:5 Label:Glucose | Stimulated:N | Donor:5 Label:Glucose | Stimulated:N | Donor:5 Label:Glucose | Stimulated:N | Donor:5 Label:Glucose | Stimulated:Y | Donor:5 Label:Glucose | Stimulated:Y | Donor:5 Label:Glucose | Stimulated:Y | Donor:5 Label:Glucose | Stimulated:Y | Donor:5 Label:Glucose | Stimulated:Y | Donor:5 Label:Glucose | Stimulated:Y | Donor:5 Label:Glutamine | Stimulated:N | Donor:6 Label:Glutamine | Stimulated:N | Donor:6 Label:Glutamine | Stimulated:N | Donor:6 Label:Glutamine | Stimulated:N | Donor:6 Label:Glutamine | Stimulated:N | Donor:6 Label:Glutamine | Stimulated:N | Donor:6 Label:Glutamine | Stimulated:Y | Donor:6 Label:Glutamine | Stimulated:Y | Donor:6 Label:Glutamine | Stimulated:Y | Donor:6 Label:Glutamine | Stimulated:Y | Donor:6 Label:Glutamine | Stimulated:Y | Donor:6 Label:Glutamine | Stimulated:Y | Donor:6 Alanine_123 4262.9908 4703.6684 2606.2851 2948.8344 10033.1665 4732.7099 2159.8989 2695.8797 4888.6711 16573.2667 7913.5600 6506.8346 3637.4324 3419.9675 2848.2963 1542.7540 1410.5324 1605.9866 5155.0711 3800.1257 3189.5335 1355.4543 1358.8989 936.5227 Alanine_123_13C_1 12.2833 163.3464 152.6327 130.1492 194.6712 72.9355 195.6851 274.1583 99.0915 2819.5595 438.7051 658.9850 Alanine_123_13C_2 Alanine_123_13C_3 alpha-Ketoglutarate_12345 311.8322 208.4565 642.5422 268.8352 767.8095 199.4442 76.9812 483.6540 372.7390 273.5192 442.5522 78.8462 335.0539 253.0686 182.4905 1395.0767 801.1065 alpha-Ketoglutarate_12345_13C_1 112.1437 12.9134 alpha-Ketoglutarate_12345_13C_2 alpha-Ketoglutarate_12345_13C_3 alpha-Ketoglutarate_12345_13C_4 0.3960 alpha-Ketoglutarate_12345_13C_5 247.8015 573.9252 222.4488 Aspartate_1234 22691.1773 27863.6021 48326.0738 29590.0471 31928.3458 35334.5067 99769.0968 37951.2664 60527.3902 99327.4982 98882.2741 121894.3104 31892.8952 25706.7146 21422.7291 34971.7443 17245.9298 18243.9381 147648.7368 144083.2308 112318.8823 33615.8609 92096.0947 50622.4045 Aspartate_1234_13C_1 5655.9790 6776.4016 11759.4399 15914.9559 18664.7036 19889.7039 29203.9534 11573.2125 17245.5889 34139.2848 34832.6816 46613.5662 4232.8197 4178.9092 4572.4694 12035.0081 4222.2631 5139.1852 22773.6142 22153.2590 17419.5487 8277.1901 23763.0313 16238.3647 Aspartate_1234_13C_2 7834.7096 9111.4740 15796.7533 19783.9416 21407.1779 23284.3330 24846.4862 7989.8663 14365.0179 27572.9959 29334.6705 34867.8255 5068.3141 4003.0732 3328.2472 8811.3204 4312.5187 5331.0419 13053.4387 12718.2732 9848.8184 5926.9771 19607.2369 11309.0130 Aspartate_1234_13C_3 2420.3984 3242.4078 5395.1946 11920.6713 11675.5822 12159.5684 7288.4194 2446.1943 4748.3600 8777.3775 9305.8782 11775.3971 841.7137 1551.8114 1286.8852 4846.1505 1906.3991 1949.2024 2591.1089 3104.4434 1775.2836 1997.5107 6434.1239 2808.1634 Aspartate_1234_13C_4 803.1467 680.4857 997.7693 29172.6487 30838.0338 33555.1042 270.1918 27831.2478 28547.2884 34733.5416 7501.7125 6072.6400 5177.4005 389.5532 331.9181 14252.4908 13549.5272 11492.5807 342.5497 273.5038 481.8494 Fumarate_1234 594.3333 376.5532 751.2148 771.0301 540.3286 629.9932 1267.0798 946.0409 846.7449 999.8446 778.1237 940.6492 505.8993 442.6201 272.1931 3467.5106 1447.0712 1373.4502 1173.9721 1312.0588 937.2103 813.1026 2089.1512 1155.2282 Fumarate_1234_13C_1 43.8741 244.8078 185.6022 123.6998 12.0275 32.9372 87.1652 101.0220 51.5709 204.1602 167.3324 344.2046 295.9802 41.7879 221.0791 116.5382 Fumarate_1234_13C_2 Fumarate_1234_13C_3 Fumarate_1234_13C_4 Glutamate_12345 92590.9184 117947.1553 197630.1969 15219.6781 16428.4723 16513.0569 138659.6038 79895.0201 86795.0655 32043.0785 29741.1558 36943.1242 115282.1650 101889.9389 90129.1621 156358.9618 66300.6764 75079.7909 168667.9730 154380.0767 123019.8490 71206.6273 197335.9800 110277.4355 Glutamate_12345_13C_1 18354.3787 22811.0320 41869.8847 10217.2147 11687.2433 11387.6657 42250.0708 22163.6800 25245.8989 11138.3117 11816.8085 14428.3098 20718.9978 16329.7218 16232.5753 39393.3902 20974.5613 22407.8302 23950.6031 20856.4684 21296.0882 21419.7254 57209.9209 34199.3560 Glutamate_12345_13C_2 40052.1649 49778.5637 82714.9426 11313.4064 13338.7291 11849.6671 61106.6804 30393.8345 35408.8491 6212.0487 6274.4560 7885.6342 11070.5405 11519.6884 9328.8015 59609.6859 26792.7273 30666.3921 10693.9096 9906.9382 7950.7102 25781.5646 71237.2289 41714.9688 Glutamate_12345_13C_3 12889.6023 16813.8298 26696.7492 16995.9949 19001.3701 19370.4138 14539.4417 7171.6908 10349.9627 8919.1076 8434.8720 10882.6537 22763.7592 21575.1715 17450.5079 22270.4683 7959.7552 9860.6713 12960.8321 12608.0743 11210.3699 6673.1852 20037.0798 10162.5578 Glutamate_12345_13C_4 7393.0246 10001.2866 17805.0899 5587.9332 5813.1111 7211.5488 6693.0615 3294.4497 4250.8509 832.7218 1181.3583 1945.8263 2751.0850 1669.2851 2251.0388 8323.5408 4931.7598 5329.8743 1385.8978 1680.4068 879.8883 2641.4542 6958.0057 5000.6688 Glutamate_12345_13C_5 1830.5498 1955.8549 3500.4073 39854.6075 40727.7504 40693.6825 1269.8583 591.7544 373.8153 10713.8083 10710.7750 13762.1046 44472.3767 37766.6602 35154.1030 3039.9432 473.3922 1007.5848 17721.7736 17007.1772 13592.2480 230.1757 758.9654 766.4481 Glutamine_12345 16101.9280 24052.0750 37912.7819 319.7679 220.6917 287.4513 32283.2811 645.1731 15436.8757 343.1264 379.1076 215.8394 656.0840 461.4335 598.7607 505.1392 403.9598 542.6443 1586.9203 1221.4815 928.6088 709.5769 2549.4500 1273.4009 Glutamine_12345_13C_1 432.2771 65.6059 147.6297 31.1157 135.0379 Glutamine_12345_13C_2 168.3502 326.1622 166.1672 170.5571 275.4646 Glutamine_12345_13C_3 870.8742 497.7517 590.9064 754.5507 620.1010 384.3423 Glutamine_12345_13C_4 224.3198 96.0301 10.3417 7.1374 9.2965 133.4613 93.0427 11.0971 12.2608 6.9805 21.2186 14.9233 19.3647 28.5353 13.8826 57.4561 Glutamine_12345_13C_5 3144.9525 2994.2543 3630.4509 2235.4074 2381.9996 2722.8939 15589.5895 14818.4874 13179.7580 17156.7552 13584.1940 12070.9857 Lactate_123 22603.8086 15138.0869 16124.6442 11034.4711 29132.1589 26697.3364 31618.0702 35918.8226 62877.9007 71482.4429 34028.7729 26500.9814 20945.8471 23068.5271 17737.2682 9829.3820 10344.4960 11755.4352 57944.4715 46082.6454 43899.9169 20471.8599 18547.2866 15840.4277 Lactate_123_13C_1 745.0918 1269.8840 1570.4188 498.6941 202.7566 4.0455 86.1293 315.7482 2.3656 Lactate_123_13C_2 2406.5443 1720.7448 1315.6402 1191.1893 2787.9608 1809.2452 15499.5532 16222.9212 34363.3287 22183.1059 8689.9312 10824.7288 1.5966 124.6915 67.2203 367.4920 172.8237 Lactate_123_13C_3 212.3009 302.5219 32.8873 269.8655 253.5660 217.2750 15.3064 1002.6228 13.5373 164.5642 2023.7369 288.4230 2294.6668 101.7410 Oxaloacetate_1234 Oxaloacetate_1234_13C_1 Oxaloacetate_1234_13C_2 Oxaloacetate_1234_13C_3 Oxaloacetate_1234_13C_4 Pyruvate_123 821.5464 667.1972 562.0527 407.9682 1220.2141 684.7830 685.5444 777.8866 1898.7137 3097.3041 1458.1289 1273.6078 808.9770 734.2223 648.2741 188.4861 107.0830 282.9580 2063.3839 1455.2826 1056.8650 134.8046 202.4924 205.8250 Pyruvate_123_13C_1 2.6564 24.4702 134.7979 31.2621 31.6414 77.0768 257.5645 71.0074 8.9502 27.7513 Pyruvate_123_13C_2 393.7840 339.4681 120.5258 246.6011 517.2927 306.9098 489.2417 905.8869 1655.7254 1951.5924 926.9519 1071.4903 Pyruvate_123_13C_3 15.7098 100.4994 82.3752 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