#METABOLOMICS WORKBENCH araskind_20150313_9067591_mwtab.txt DATATRACK_ID:221 STUDY_ID:ST000147 ANALYSIS_ID:AN000233 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 13C targeted metabolomics ST:STUDY_SUMMARY Jurkat parental cells (JP6) or cells stably expressing the pCDNA Noxa vector ST:STUDY_SUMMARY (N5) cells were cultured to confluence and counted. 20E6 cells in triplicate ST:STUDY_SUMMARY were resuspended in glucose free or glutamine free medium for 2 hours. Cells ST:STUDY_SUMMARY were then pelleted and resuspended in 13C-1,2 Glucose (10mM) or 13C-U-glutamine ST:STUDY_SUMMARY (4mM) for 24 hours. Cells were pelleted and spent medium was collected. Cell ST:STUDY_SUMMARY pellets were washed 1X with ice cold PBS and cell pellets were resuspended in ST:STUDY_SUMMARY 400ul -20 methanol. Cells and media were snap frozen in liquid nitrogen and ST:STUDY_SUMMARY stored at -80. 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 SU0004256 S00015033 Treatment:13C glucose labeled | Cell type:Cloned Jurkat cell mid level Noxa | Harvest:cells SUBJECT_SAMPLE_FACTORS SU0004256 S00015034 Treatment:13C glucose labeled | Cell type:Cloned Jurkat cell mid level Noxa | Harvest:cells SUBJECT_SAMPLE_FACTORS SU0004256 S00015035 Treatment:13C glucose labeled | Cell type:Cloned Jurkat cell mid level Noxa | Harvest:cells SUBJECT_SAMPLE_FACTORS SU0004256 S00015045 Treatment:13C glucose labeled | Cell type:Cloned Jurkat cell mid level Noxa | Harvest:spent medium SUBJECT_SAMPLE_FACTORS SU0004256 S00015046 Treatment:13C glucose labeled | Cell type:Cloned Jurkat cell mid level Noxa | Harvest:spent medium SUBJECT_SAMPLE_FACTORS SU0004256 S00015047 Treatment:13C glucose labeled | Cell type:Cloned Jurkat cell mid level Noxa | Harvest:spent medium SUBJECT_SAMPLE_FACTORS SU0004257 S00015036 Treatment:13C glucose labeled | Cell type:Noxa overexpressed Jurkat cell | Harvest:cells SUBJECT_SAMPLE_FACTORS SU0004257 S00015037 Treatment:13C glucose labeled | Cell type:Noxa overexpressed Jurkat cell | Harvest:cells SUBJECT_SAMPLE_FACTORS SU0004257 S00015038 Treatment:13C glucose labeled | Cell type:Noxa overexpressed Jurkat cell | Harvest:cells SUBJECT_SAMPLE_FACTORS SU0004257 S00015048 Treatment:13C glucose labeled | Cell type:Noxa overexpressed Jurkat cell | Harvest:spent medium SUBJECT_SAMPLE_FACTORS SU0004257 S00015049 Treatment:13C glucose labeled | Cell type:Noxa overexpressed Jurkat cell | Harvest:spent medium SUBJECT_SAMPLE_FACTORS SU0004257 S00015050 Treatment:13C glucose labeled | Cell type:Noxa overexpressed Jurkat cell | Harvest:spent medium SUBJECT_SAMPLE_FACTORS SU0004256 S00015039 Treatment:13C glutamine labeled | Cell type:Cloned Jurkat cell mid level Noxa | Harvest:cells SUBJECT_SAMPLE_FACTORS SU0004256 S00015040 Treatment:13C glutamine labeled | Cell type:Cloned Jurkat cell mid level Noxa | Harvest:cells SUBJECT_SAMPLE_FACTORS SU0004256 S00015041 Treatment:13C glutamine labeled | Cell type:Cloned Jurkat cell mid level Noxa | Harvest:cells SUBJECT_SAMPLE_FACTORS SU0004256 S00015051 Treatment:13C glutamine labeled | Cell type:Cloned Jurkat cell mid level Noxa | Harvest:spent medium SUBJECT_SAMPLE_FACTORS SU0004256 S00015052 Treatment:13C glutamine labeled | Cell type:Cloned Jurkat cell mid level Noxa | Harvest:spent medium SUBJECT_SAMPLE_FACTORS SU0004256 S00015053 Treatment:13C glutamine labeled | Cell type:Cloned Jurkat cell mid level Noxa | Harvest:spent medium SUBJECT_SAMPLE_FACTORS SU0004257 S00015042 Treatment:13C glutamine labeled | Cell type:Noxa overexpressed Jurkat cell | Harvest:cells SUBJECT_SAMPLE_FACTORS SU0004257 S00015043 Treatment:13C glutamine labeled | Cell type:Noxa overexpressed Jurkat cell | Harvest:cells SUBJECT_SAMPLE_FACTORS SU0004257 S00015044 Treatment:13C glutamine labeled | Cell type:Noxa overexpressed Jurkat cell | Harvest:cells SUBJECT_SAMPLE_FACTORS SU0004257 S00015054 Treatment:13C glutamine labeled | Cell type:Noxa overexpressed Jurkat cell | Harvest:spent medium SUBJECT_SAMPLE_FACTORS SU0004257 S00015055 Treatment:13C glutamine labeled | Cell type:Noxa overexpressed Jurkat cell | Harvest:spent medium SUBJECT_SAMPLE_FACTORS SU0004257 S00015056 Treatment:13C glutamine labeled | Cell type:Noxa overexpressed Jurkat cell | Harvest:spent medium #COLLECTION CO:SAMPLE_TYPE Culture Media 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 AQM010 CH:METHODS_FILENAME QTOF-002-HILIC-35min-1mm-No_Insert.m.zip CH:INSTRUMENT_NAME Agilent 1260 CH:COLUMN_NAME Phenomenex Luna NH2 (150 x 1mm, 3um) CH:CHROMATOGRAPHY_TYPE HILIC #ANALYSIS AN:LABORATORY_NAME MRC2 (University of Michigan) AN:ANALYSIS_TYPE MS AN:ACQUISITION_PARAMETERS_FILE QTOF-002-HILIC-35min-1mm-No_Insert.m.zip AN:PROCESSING_PARAMETERS_FILE EX00313-MassHunterQuant-LCMS-DataAnalysis-Method.m.zip #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Agilent 6520 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Area MS_METABOLITE_DATA_START Samples S00015033 S00015034 S00015035 S00015045 S00015046 S00015047 S00015036 S00015037 S00015038 S00015048 S00015049 S00015050 S00015039 S00015040 S00015041 S00015051 S00015052 S00015053 S00015042 S00015043 S00015044 S00015054 S00015055 S00015056 Factors Treatment:13C glucose labeled | Cell type:Cloned Jurkat cell mid level Noxa | Harvest:cells Treatment:13C glucose labeled | Cell type:Cloned Jurkat cell mid level Noxa | Harvest:cells Treatment:13C glucose labeled | Cell type:Cloned Jurkat cell mid level Noxa | Harvest:cells Treatment:13C glucose labeled | Cell type:Cloned Jurkat cell mid level Noxa | Harvest:spent medium Treatment:13C glucose labeled | Cell type:Cloned Jurkat cell mid level Noxa | Harvest:spent medium Treatment:13C glucose labeled | Cell type:Cloned Jurkat cell mid level Noxa | Harvest:spent medium Treatment:13C glucose labeled | Cell type:Noxa overexpressed Jurkat cell | Harvest:cells Treatment:13C glucose labeled | Cell type:Noxa overexpressed Jurkat cell | Harvest:cells Treatment:13C glucose labeled | Cell type:Noxa overexpressed Jurkat cell | Harvest:cells Treatment:13C glucose labeled | Cell type:Noxa overexpressed Jurkat cell | Harvest:spent medium Treatment:13C glucose labeled | Cell type:Noxa overexpressed Jurkat cell | Harvest:spent medium Treatment:13C glucose labeled | Cell type:Noxa overexpressed Jurkat cell | Harvest:spent medium Treatment:13C glutamine labeled | Cell type:Cloned Jurkat cell mid level Noxa | Harvest:cells Treatment:13C glutamine labeled | Cell type:Cloned Jurkat cell mid level Noxa | Harvest:cells Treatment:13C glutamine labeled | Cell type:Cloned Jurkat cell mid level Noxa | Harvest:cells Treatment:13C glutamine labeled | Cell type:Cloned Jurkat cell mid level Noxa | Harvest:spent medium Treatment:13C glutamine labeled | Cell type:Cloned Jurkat cell mid level Noxa | Harvest:spent medium Treatment:13C glutamine labeled | Cell type:Cloned Jurkat cell mid level Noxa | Harvest:spent medium Treatment:13C glutamine labeled | Cell type:Noxa overexpressed Jurkat cell | Harvest:cells Treatment:13C glutamine labeled | Cell type:Noxa overexpressed Jurkat cell | Harvest:cells Treatment:13C glutamine labeled | Cell type:Noxa overexpressed Jurkat cell | Harvest:cells Treatment:13C glutamine labeled | Cell type:Noxa overexpressed Jurkat cell | Harvest:spent medium Treatment:13C glutamine labeled | Cell type:Noxa overexpressed Jurkat cell | Harvest:spent medium Treatment:13C glutamine labeled | Cell type:Noxa overexpressed Jurkat cell | Harvest:spent medium 2 or 3-phosphoglycerate_13C_1 1587.3823 614.7650 2 or 3-phosphoglycerate_13C_2 33079.7012 37065.4053 26595.0569 233.6068 39502.8792 44937.2194 39753.7066 534.3530 103.6582 2 or 3-phosphoglycerate_13C_3 2 or 3-phosphoglycerate_2PG/3PG 33623.4423 35747.9576 28712.8991 302.3076 297.1506 41227.5894 48973.8020 45026.9414 2415.3664 1919.2788 230.4547 28996.0785 36077.2938 31555.9197 1625.1918 61872.5465 77844.6689 66655.4022 4159.3733 3-Glycerophosphate 4653424.7790 5983031.2140 6235235.3260 10906.0915 1990442.0980 1837040.8940 1640698.7950 3657.9537 4834711.1680 5416618.3190 5426252.1490 2512916.1250 3579410.3820 3870766.5450 2387.0578 8167.3393 3-Glycerophosphate_13C_1 214746.5474 285919.6022 308344.6546 146952.4299 134527.1495 116947.9376 7381.3490 10018.0528 8120.8755 14318.7924 20761.2561 24535.4072 260.9425 3-Glycerophosphate_13C_2 4565056.3140 5994676.7650 6274761.4590 2584296.7440 2442467.7130 2158683.1640 6430.3977 9531.4207 4452.9253 5127.7331 7001.0561 4970.2145 3-Glycerophosphate_13C_3 63939.5384 89672.7479 90586.7560 42815.6307 38740.6663 35398.2701 3-phosphoglyceraldehyde 146199.8405 171616.6551 181737.4083 144658.3816 140828.0870 147819.3201 177896.2920 209625.7509 207660.6671 196135.8111 243721.2287 249699.3337 3-phosphoglyceraldehyde_13C_1 9601.2853 6216.5490 7192.9414 5640.0751 6582.9375 6756.3021 1859.8046 1523.0644 962.7902 4083.0634 1690.1133 4184.8749 3-phosphoglyceraldehyde_13C_2 67347.9446 74447.4267 151162.0869 126309.2876 146557.4318 130863.6897 3-phosphoglyceraldehyde_13C_3 6-Phosphogluconate 36434.3634 38034.3322 35951.5373 71833.3693 63516.4003 59748.7418 8813.9049 12558.5274 14517.1167 12967.5321 19894.4101 22815.9787 6-Phosphogluconate_13C_1 16961.6406 20838.0210 18843.1189 22589.6266 22558.5562 18241.5431 7129.8833 9517.8125 11017.1061 5973.2200 12183.5596 14694.8212 6-Phosphogluconate_13C_2 28261.2769 28154.7552 25216.3525 34708.9831 31041.5892 30776.3198 10402.8417 12708.7493 15288.6998 13680.9463 21966.5396 23959.7074 6-Phosphogluconate_13C_3 23419.7051 12564.6511 12046.7692 11067.3704 11518.0693 11802.3005 9686.5224 14649.0621 14937.0639 21095.3978 28924.8982 36597.2326 6-Phosphogluconate_13C_4 11984.0465 10524.4834 8469.2205 7242.2292 12779.3910 6527.5971 14654.2037 18202.6575 23627.4538 25855.7332 38316.4563 47860.2853 6-Phosphogluconate_13C_5 9551.6692 5791.0176 3686.8678 1742.7340 7231.0655 9731.0064 12786.2885 14334.0494 19941.9556 16500.6868 6-Phosphogluconate_13C_6 1504.2389 2563.2141 702.5513 6209.5985 4221.5167 13337.8978 18819.2328 27146.0850 34240.1967 1945.8960 Acetyl-CoA 48754.9010 46682.8743 49168.0802 89593.2436 92405.0616 87571.3562 135583.7454 143420.4976 149254.4271 156777.1585 204484.7397 217349.6227 Acetyl-CoA_13C_1 84847.7068 88414.6857 91089.6824 88028.5816 86894.4623 81897.9868 5829.9906 6529.4100 3680.1592 6189.4656 8960.5155 8205.4886 Acetyl-CoA_13C_2 73825.6454 67496.7781 64502.6675 78376.9336 81019.3441 70542.1864 48540.2006 58242.1859 52703.9287 97364.7565 136555.2790 138900.9103 Adenosine diphosphate 81889.5304 57423.8159 48655.3474 6249.5187 1376.8863 563.4648 63217.4343 88284.1191 77188.5907 961.8368 4982.7592 198406.4518 246556.8693 213869.5024 239326.5638 282000.6980 253509.9842 Adenosine diphosphate_13C_1 146251.1528 101901.6687 91275.0345 59150.8942 82730.2943 72429.8160 5120.4615 5158.3737 2959.4508 3331.2847 10170.3371 10069.3893 Adenosine diphosphate_13C_2 98924.5676 68970.1354 56965.6930 40715.3767 59016.3366 49881.3040 564.8356 477.3218 1929.0188 303.9565 Adenosine diphosphate_13C_3 79640.5757 59042.8791 51228.3795 38146.9878 52340.0145 43045.8506 Adenosine diphosphate_13C_4 84709.5391 56082.8244 50701.7998 39871.6539 58279.5513 45783.9659 Adenosine diphosphate_13C_5 5127.7852 1883.6106 1903.4332 5707.6413 7137.4494 6184.2557 2077.2578 1410.5572 Adenosine monophosphate 73186.2127 90057.8698 97638.9720 54300.0690 106697.9220 100801.2993 86393.2975 251356.1860 297892.0834 311358.6811 192085.2933 264793.4711 310214.0756 11659.3012 Adenosine monophosphate_13C_1 94144.1246 120888.0107 131925.0823 4129.5497 79349.2322 86460.0607 70992.9844 9283.8883 7543.6050 10607.1948 2637.2031 7017.8326 4014.3859 Adenosine monophosphate_13C_2 69620.0751 82879.9633 94440.6749 553.8278 60957.5436 58938.4588 52104.3176 949.6553 1552.5055 1190.6489 2665.9323 4541.2639 Adenosine monophosphate_13C_3 66978.0540 90327.3015 87222.1778 2483.9189 59506.2354 54125.5126 52091.3444 10302.2311 Adenosine monophosphate_13C_4 55366.4133 70036.2387 75023.3234 1559.6393 60137.6137 61527.0007 50868.2802 696.0990 1016.7774 Adenosine monophosphate_13C_5 8958.3719 14102.7182 14830.5142 13672.0363 10760.0174 10586.5212 632.5811 691.8594 507.2793 Adenosine triphosphate 141107.9475 102055.8526 73205.6080 11729.7164 1865.5783 858.4120 134782.7372 192403.6224 144213.1376 494.4705 6797.4881 165508.1874 272932.6032 188133.1762 640.9978 244.7914 399392.2900 391376.2029 323861.9781 266.9737 249.1355 Adenosine triphosphate_13C_1 267036.0130 196193.0364 136138.4867 132.2050 135818.1083 193886.0354 145256.6607 3628.3582 5393.5591 4991.2991 7855.2589 6328.6438 5553.6254 Adenosine triphosphate_13C_2 171835.0152 131626.8500 86941.8296 90025.3528 142377.6619 96427.7315 1474.5026 1168.8150 898.7198 1287.4603 2408.1274 Adenosine triphosphate_13C_3 150884.6626 110946.5048 80222.0905 80430.7118 116852.2008 87791.1292 505.7355 463.4416 134.6212 113.2695 Adenosine triphosphate_13C_4 140882.6306 105519.6105 73601.4671 87246.8847 129819.2530 96798.0780 98.1331 Adenosine triphosphate_13C_5 10967.8007 9912.8128 4550.4781 14499.7717 21353.0997 14500.0915 Aspartate 294550.5777 333164.5044 386093.1300 1327083.7380 1447373.3030 1333444.1280 854447.3217 785462.4418 731947.6519 1397017.4450 1389649.0790 150333.5409 163548.3585 158522.3456 1558064.7850 1448257.9280 1452310.7310 231144.1165 317126.6861 366043.5495 1726698.9240 1509288.2650 Aspartate_13C_1 44602.9156 50724.1534 51628.0307 432.9277 4105.0552 72325.8842 67349.5199 59606.9572 4365.8656 8380.5206 Aspartate_13C_2 88070.7771 104987.7564 115643.0570 1055.4732 5704.1320 4468.7622 205860.2929 189779.2324 173523.7394 7580.9170 5461.4199 67821.4418 80084.2395 75363.8292 6994.2576 7441.2283 6845.6268 127336.3148 182952.9896 206010.6153 11024.0903 11680.9718 Aspartate_13C_3 27994.6857 31103.7493 33512.1064 35426.4124 27850.1875 26327.9429 33146.7012 30615.5868 31005.6243 2690.5688 2811.5589 1213.5296 71692.1777 94490.2465 119737.4592 4745.5501 6003.4667 Aspartate_13C_4 10390.2446 9426.8324 10073.7335 14251.0777 13650.6914 12003.7134 66411.5808 74363.4807 74909.4049 2061.2133 1641.7407 576.2651 214671.8121 295898.8176 332127.4325 9458.7693 10666.3219 Citrate or Isocitrate 2189686.7070 2179234.2410 2428489.6770 637695.0745 1034336.2960 1010655.4520 2808732.4040 3170392.0660 2905921.4460 1418639.9680 1397504.0290 183810.5694 914582.3117 949835.4991 955703.1940 733885.2937 689260.0498 712179.2251 840010.0469 1108710.5520 1168672.7960 125840.9098 724086.5896 816833.0035 Citrate or Isocitrate_13C_1 404025.1226 399759.6681 433911.1310 45708.8407 77178.4526 75013.2351 254094.9041 304642.0532 266126.5339 49932.2452 55361.0907 12805.2995 307377.7423 318638.2741 319197.1673 109335.1862 109735.5480 107814.2474 247321.7657 335622.5363 351907.4533 12657.5908 87092.1123 103012.7933 Citrate or Isocitrate_13C_2 1300213.1030 1295995.5360 1405036.2280 243200.5989 406771.0271 385831.1234 1002646.2890 1122480.1540 1051381.5230 334200.7440 330380.2714 24714.6583 309073.6444 314170.4846 323700.3999 167458.3763 158991.0523 165791.3481 319056.2729 436136.6839 451111.2156 16410.6145 190257.9901 215865.8102 Citrate or Isocitrate_13C_3 348161.9002 349307.5430 376857.3481 52893.6091 63581.8885 57506.0456 170010.7490 184035.9880 175571.1478 30147.4443 26997.2136 11162.7161 426899.3408 444303.0744 438599.1531 202924.5613 185581.0263 195808.2479 534926.8314 719742.5687 750342.1421 24452.7182 297333.8470 330975.4437 Citrate or Isocitrate_13C_4 324333.4244 310224.3973 337048.7691 82584.3166 88789.8893 85976.3213 174305.5003 206749.2429 186130.8662 58834.4005 57765.4671 3058.1552 197187.1257 193920.7086 212108.6979 224096.8277 214018.8973 219758.9757 299047.4742 417965.9518 435450.9146 29575.3570 342264.7212 425249.7025 Citrate or Isocitrate_13C_5 79319.7475 73050.1372 82080.1456 45421.9867 22190.4304 16571.5452 32029.5751 32692.5069 31853.9170 7985.7749 6577.9100 13303.3672 621531.6732 651574.0476 640384.4569 394575.6032 378208.6893 391244.1469 1218002.0790 1621384.6670 1681792.4620 60340.0603 880579.0286 1007724.9470 Citrate or Isocitrate_13C_6 20405.9519 17626.0108 18890.2421 9185.5048 9692.4840 9157.8023 11825.8862 12030.4047 10953.3140 5382.3924 4309.1999 22295.5981 38840.3429 40847.7182 42449.4343 19899.1206 18842.7284 19611.7899 95467.8450 135205.7758 133698.5845 12922.4829 53092.4045 59178.8841 Erythrose 4-phosphate 39603.7459 43225.9199 40946.7270 31797.3332 30609.0043 26751.2805 30382.2981 40207.0777 34173.4256 32100.0007 40629.1443 48982.7457 Erythrose 4-phosphate_13C_1 608.2560 2268.2759 1933.9894 Erythrose 4-phosphate_13C_2 41375.5550 47059.1066 40483.1456 30562.1951 35793.4005 30120.1506 3.4539 313.6956 Erythrose 4-phosphate_13C_3 19.2961 101.6551 7.9629 518.8347 Erythrose 4-phosphate_13C_4 501.7782 Fructose 1_6-bisphosphate 187164.8679 120672.1083 100308.2716 41372.6788 10485.6619 7934.3555 46730.7179 55640.2286 51228.7018 3834.8346 4831.6680 1682.7844 346419.8733 473112.6240 389148.0734 3076.6583 2373.6820 1288.6616 269885.2010 281164.2013 254163.5850 Fructose 1_6-bisphosphate_13C_1 28621.3302 17050.2571 17000.4848 5363.3180 10629.4464 8113.1806 2505.7027 1169.7956 248.2917 981.7520 795.7724 Fructose 1_6-bisphosphate_13C_2 755991.6085 539395.5790 423116.8180 2431.4437 2982.9881 1058.7847 245339.4450 340878.7177 301425.0492 2395.0674 2970.5740 519.0728 12876.5153 7040.8587 3383.4076 1011.5823 1654.9294 1763.7363 3962.2928 2552.5002 4062.4360 Fructose 1_6-bisphosphate_13C_3 8425.0257 6651.8769 5612.2878 70.9620 1505.0862 194.5386 Fructose 1_6-bisphosphate_13C_4 232000.5386 156822.5142 128477.7649 60398.8403 74322.7134 63346.3549 3527.5711 1093.0968 244.7829 335.7624 57.9457 49.7091 Fructose 1_6-bisphosphate_13C_5 0.7491 Fructose 1_6-bisphosphate_13C_6 1529.3807 Glucose 6-phosphate or fructose-6-phosphate 232202.5702 236734.9639 221601.7047 37560.3711 134530.5621 143528.9601 122415.2029 20637.6944 540935.9683 627429.2679 568342.4618 5553.3817 7581.2483 7726.4564 663862.7913 892251.1378 1058183.1380 14977.9296 19010.9931 9691.0438 Glucose 6-phosphate or fructose-6-phosphate_13C_1 22697.1899 25696.1431 30982.4345 416.3222 23813.2362 23693.9808 20843.3883 2374.1063 2889.9345 3777.5945 1259.7825 6355.8108 2503.5769 Glucose 6-phosphate or fructose-6-phosphate_13C_2 640290.5300 726723.0560 797272.8095 14969.8413 707981.6230 699350.9980 598569.6734 23906.3822 20863.9889 13814.9033 8054.3570 10634.2402 7002.3211 Glucose 6-phosphate or fructose-6-phosphate_13C_3 15491.7021 16041.9806 21709.4551 15677.8913 11293.9716 9105.5947 663.3361 Glucose 6-phosphate or fructose-6-phosphate_13C_4 82795.5204 88562.6600 102851.0128 63750.4595 56908.6896 49307.7036 1459.2683 1595.9249 Glucose 6-phosphate or fructose-6-phosphate_13C_5 4693.2820 5617.7710 4874.2800 6235.5432 6141.4373 4816.2069 Glucose 6-phosphate or fructose-6-phosphate_13C_6 2340.9005 1628.1641 2665.3249 172.2521 2741.5186 749.5342 Glutamate 11533725.8200 14091063.8900 14738666.4200 1598841.6230 1644752.5020 1532077.5220 14945021.4300 13950457.3000 12357485.1400 2043023.8390 1774950.0620 85422.6036 3354976.4370 3721807.9050 3722555.1320 1475298.7960 1381403.9620 1390694.7610 2297586.2390 3276668.3360 3523739.2750 109719.1340 1648393.1140 1337056.0190 Glutamate_13C_1 1367330.8620 1661326.9120 1773039.0420 17385.6623 15496.6593 36633.5364 843973.7577 785504.2583 727354.1511 20699.7967 38170.8325 117.3706 1048435.1280 1184123.2430 1165842.0270 29348.7018 30028.2579 30940.1639 613936.6344 851774.5095 916056.9495 30496.9412 21943.6016 Glutamate_13C_2 4524467.9920 5526636.1730 5923149.5640 53275.4122 53790.6744 62088.4312 3681506.6400 3378696.3680 2974022.2810 64726.1277 65453.6743 462.4464 908294.9393 1021790.6070 1028752.4340 28482.3432 40045.6800 27889.1464 690206.6000 975449.6066 1068132.4010 1764.0382 41975.1837 34389.4804 Glutamate_13C_3 1173725.7360 1411930.1870 1516664.5700 13961.7535 16010.1576 9309.7872 574515.0497 534880.3527 483632.0740 7006.4327 7116.5299 219.3594 1872717.9480 2102495.9490 2094929.1180 66572.2542 65111.6663 65253.8199 1757212.3450 2447997.8360 2696177.6490 7287.2197 119883.2057 97096.4939 Glutamate_13C_4 889096.2399 1085702.7990 1149062.3730 11778.9736 13619.8038 12787.3009 565460.3434 536628.0328 457821.3749 7697.9072 9374.5642 240186.4596 267329.7400 259761.1657 292189.5269 414705.9108 443649.5556 1850.9717 28944.7005 20597.3627 Glutamate_13C_5 203835.6275 224948.3757 252922.6083 11515.8667 1555.6906 1416.9855 82866.4846 77590.2126 67692.7120 79.5243 1471.0404 4278256.1550 4856307.4610 4839615.0710 316956.4361 215987.9336 235355.9428 5758971.2690 8114039.2200 8833448.0890 49954.9203 769413.2837 625588.6645 Lactate Lactate_13C_1 Lactate_13C_2 Lactate_13C_3 Malate 2708089.5630 3324541.2230 3538629.9580 30857.8466 12981.0538 11043.9500 4674641.2650 4303892.6790 3742253.9270 24837.1851 24821.5077 33737.1299 993994.7548 1107323.9460 1085380.2330 10168.3656 7185.6799 9345.4771 992536.8485 1379155.5050 1483097.4780 19453.3039 12706.8251 1618.6546 Malate_13C_1 458012.8555 562188.2266 590287.9392 596.9721 389547.1892 347819.1552 298308.4920 200.8309 199.6665 280996.4580 302377.2727 308635.9308 32.5255 105.7957 245083.4935 346801.8398 380671.6447 Malate_13C_2 885201.4048 1086900.5110 1156372.2660 4341.7416 188.3104 1044.7277 1029200.1190 964366.8922 825613.3337 1543.5171 2544.9201 399.1236 453743.3144 505045.0194 504997.0824 896.7360 402.2240 558259.4574 773194.0979 845216.3874 503.1344 391.2099 1754.0439 Malate_13C_3 259688.5517 313651.0316 325656.7047 2054.7769 711.8105 256.9392 173085.0775 163175.6063 144042.0319 1312.5168 1573.9645 1521.7795 278842.8770 314201.2216 305077.6678 4224.1237 3994.1348 2566.0419 419168.1978 590836.7358 647149.2181 1783.2950 4307.4676 5708.7827 Malate_13C_4 100290.0779 117919.6020 120338.6101 6159.1467 86334.2698 75351.0779 69097.6519 5590.1956 4282.9338 5413.0156 721848.8398 799597.5133 807076.2207 10358.8074 8823.4757 7887.1109 1298701.0660 1793517.6390 1970126.2180 7823.6145 13733.4556 15292.4404 Malonyl-CoA 4741.8201 6237.3566 4982.1199 8078.4575 9700.6301 8263.7323 9564.9565 11861.3834 9200.8048 12891.9201 15488.9788 13981.0022 Malonyl-CoA_13C_1 5737.4477 5277.9515 6099.4308 6365.7329 6140.2327 6185.3209 191.0762 107.3827 121.3666 857.6012 Malonyl-CoA_13C_2 5065.7602 4305.7972 3470.8499 6718.7029 7558.1977 3322.3794 2284.3768 2392.1871 2516.1441 5904.3501 6388.3412 5303.0427 Malonyl-CoA_13C_3 6634.4284 5088.0874 5041.8603 6513.4495 6221.0258 6164.6682 59.2775 728.5523 Nicotinamide Adenine Dinucleotide oxidized 96937.8524 106821.2830 106090.6559 62583.9103 58542.8506 53139.6833 425544.2743 479491.5899 464188.3956 321569.3756 443863.4604 490158.3711 Nicotinamide Adenine Dinucleotide oxidized_13C_1 82459.5709 88020.3846 93714.3662 70662.0964 67874.5997 58347.8392 4017.5104 6309.3325 7180.0684 2376.5615 7969.0341 4944.1819 Nicotinamide Adenine Dinucleotide oxidized_13C_2 118370.6616 128549.5525 145001.6375 81881.6224 77534.9332 67967.6265 1610.3398 178.0901 840.4462 1318.8375 1611.2190 3138.9712 Nicotinamide Adenine Dinucleotide oxidized_13C_3 122206.7230 128633.6922 138263.6928 91727.2745 88819.2338 76015.3496 55.8722 123.0582 329.9540 391.2612 1378.2700 Nicotinamide Adenine Dinucleotide oxidized_13C_4 140618.6138 155091.6865 165284.3070 106157.4485 97692.2175 87859.3148 131.9276 Nicotinamide Adenine Dinucleotide oxidized_13C_5 111233.1563 120570.7741 133165.3081 80826.5568 71789.4179 64924.3223 Nicotinamide Adenine Dinucleotide reduced 314620.7548 418674.1656 399968.7580 168141.1034 154359.9058 139869.0650 1309532.6720 1651250.8290 1637455.1070 758145.0191 1057596.5700 1179087.2070 Nicotinamide Adenine Dinucleotide reduced_13C_1 255935.6277 351528.3443 337558.4828 188168.3014 168223.5639 149335.1323 5431.9590 4852.1562 5573.3717 9457.7214 Nicotinamide Adenine Dinucleotide reduced_13C_2 380266.0391 512309.1178 484338.1512 230314.9221 210642.3824 189547.5702 3551.3436 3678.0480 3114.1082 5264.3730 9944.8448 4627.7839 Nicotinamide Adenine Dinucleotide reduced_13C_3 391367.8688 509057.8321 506512.1265 238715.4467 216462.4879 196120.2190 2331.9462 2306.1870 1909.1868 4499.4811 6218.5678 2812.9139 Nicotinamide Adenine Dinucleotide reduced_13C_4 443652.0776 610355.1530 565362.9429 290868.7086 265484.8605 233427.0817 304.4208 720.4567 1264.7040 Nicotinamide Adenine Dinucleotide reduced_13C_5 349215.9135 485805.7572 458811.5702 211915.2742 196044.8798 176090.8774 366.4575 536.3036 495.4008 395.7304 Phosphoenolpyruvate 2171.0905 3744.3106 3536.4376 4217.5642 2578.8720 1902.4962 1493.0680 890.5943 938.5568 3490.0281 4457.1735 3770.0658 Phosphoenolpyruvate_13C_1 904.1389 602.1597 1094.9392 76.8324 280.5717 Phosphoenolpyruvate_13C_2 Phosphoenolpyruvate_13C_3 Ribose-5-phosphate or xylulose 5-phosphate 3672.0582 1188.2897 611.2841 6069.9360 5053.9791 79559.5564 107755.1358 109552.8422 1501.6337 2505.3798 1345.1463 41967.5597 55928.9698 70165.3822 11812.5461 6706.0631 Ribose-5-phosphate or xylulose 5-phosphate_13C_1 87667.0428 97523.1782 96139.6550 13.4638 1386.5368 39672.9423 36810.2764 34056.7510 831.0235 107.5328 783.1225 1823.3837 2227.0080 Ribose-5-phosphate or xylulose 5-phosphate_13C_2 35658.7141 1023.3606 1020.3100 2455.2678 Ribose-5-phosphate or xylulose 5-phosphate_13C_3 85637.0228 101825.9942 100334.0144 42838.2067 38370.3143 35942.8712 Ribose-5-phosphate or xylulose 5-phosphate_13C_4 72707.2254 78037.9464 71274.3963 31533.3846 28971.8692 22313.3750 Ribose-5-phosphate or xylulose 5-phosphate_13C_5 9959.9966 10712.0409 8584.8390 3985.0056 3713.1029 3982.6125 Sedoheptulose 7-phosphate 58111.5661 71992.2932 75150.1309 33106.4065 24328.0396 27591.6772 97801.0238 114532.4726 102647.1893 66755.4968 89418.6820 106174.4558 Sedoheptulose 7-phosphate_13C_1 6489.2897 2654.6549 9250.8760 33.6546 622.7539 Sedoheptulose 7-phosphate_13C_2 70320.7204 83587.1898 86074.1841 47470.2276 44024.2173 39280.1713 43.1266 Sedoheptulose 7-phosphate_13C_3 18004.5858 18916.8507 18777.1241 11313.9740 11467.7372 9719.0171 320.5073 Sedoheptulose 7-phosphate_13C_4 20766.9413 22732.4854 24885.7369 13332.9739 13978.2269 11794.2051 Sedoheptulose 7-phosphate_13C_5 15350.8170 17403.7438 19064.9042 8623.5809 10675.3233 8630.3999 Sedoheptulose 7-phosphate_13C_6 48255.8802 56713.6536 59221.4101 6619.8020 7395.3744 6450.1472 Sedoheptulose 7-phosphate_13C_7 30775.7078 37723.4200 39122.5433 3610.9974 3933.4197 4222.2309 Sucrose 8739.3173 5476.1239 21186.3099 258786.6796 288225.2993 140234.7791 6436.4066 1655.7762 577.2725 10793.0856 23640.2713 16952.0878 5545.5232 Sucrose_13C_1 1023.3798 236.4683 2511.6790 2998.2849 1002.8096 17261.7999 21449.0165 27541.5123 18422.3901 Sucrose_13C_2 93821.1005 80101.7833 74254.8854 19869.4754 14967.5055 13256.4264 15349.4011 Sucrose_13C_3 9745.7318 12493.4357 6605.6611 Sucrose_13C_4 8518.1599 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 2 or 3-phosphoglycerate_13C_1 724 C00597 2PG/3PG_13C_1 UM_Target_ID 2 or 3-phosphoglycerate_13C_2 724 C00597 2PG/3PG_13C_2 UM_Target_ID 2 or 3-phosphoglycerate_13C_3 724 C00597 2PG/3PG_13C_3 UM_Target_ID 2 or 3-phosphoglycerate_2PG/3PG 724 C00597 2PG/3PG UM_Target_ID 3-Glycerophosphate 754 GI_OH3P UM_Target_ID 3-Glycerophosphate_13C_1 754 GI_OH3P_13C_1 UM_Target_ID 3-Glycerophosphate_13C_2 754 GI_OH3P_13C_2 UM_Target_ID 3-Glycerophosphate_13C_3 754 GI_OH3P_13C_3 UM_Target_ID 3-phosphoglyceraldehyde 439168 C00118 G3P UM_Target_ID 3-phosphoglyceraldehyde_13C_1 439168 C00118 G3P_13C_1 UM_Target_ID 3-phosphoglyceraldehyde_13C_2 439168 C00118 G3P_13C_2 UM_Target_ID 3-phosphoglyceraldehyde_13C_3 439168 C00118 G3P_13C_3 UM_Target_ID 6-Phosphogluconate 91493 C00345 6PG UM_Target_ID 6-Phosphogluconate_13C_1 91493 C00345 6PG_13C_1 UM_Target_ID 6-Phosphogluconate_13C_2 91493 C00345 6PG_13C_2 UM_Target_ID 6-Phosphogluconate_13C_3 91493 C00345 6PG_13C_3 UM_Target_ID 6-Phosphogluconate_13C_4 91493 C00345 6PG_13C_4 UM_Target_ID 6-Phosphogluconate_13C_5 91493 C00345 6PG_13C_5 UM_Target_ID 6-Phosphogluconate_13C_6 91493 C00345 6PG_13C_6 UM_Target_ID Acetyl-CoA 444493 C00024 aCoA UM_Target_ID Acetyl-CoA_13C_1 444493 C00024 aCoA_13C_1 UM_Target_ID Acetyl-CoA_13C_2 444493 C00024 aCoA_13C_2 UM_Target_ID Adenosine diphosphate 6022 C00008 ADP UM_Target_ID Adenosine diphosphate_13C_1 6022 C00008 ADP_13C_1 UM_Target_ID Adenosine diphosphate_13C_2 6022 C00008 ADP_13C_2 UM_Target_ID Adenosine diphosphate_13C_3 6022 C00008 ADP_13C_3 UM_Target_ID Adenosine diphosphate_13C_4 6022 C00008 ADP_13C_4 UM_Target_ID Adenosine diphosphate_13C_5 6022 C00008 ADP_13C_5 UM_Target_ID Adenosine monophosphate 6083 C00020 AMP UM_Target_ID Adenosine monophosphate_13C_1 6083 C00020 AMP_13C_1 UM_Target_ID Adenosine monophosphate_13C_2 6083 C00020 AMP_13C_2 UM_Target_ID Adenosine monophosphate_13C_3 6083 C00020 AMP_13C_3 UM_Target_ID Adenosine monophosphate_13C_4 6083 C00020 AMP_13C_4 UM_Target_ID Adenosine monophosphate_13C_5 6083 C00020 AMP_13C_5 UM_Target_ID Adenosine triphosphate 5957 C00002 ATP UM_Target_ID Adenosine triphosphate_13C_1 5957 C00002 ATP_13C_1 UM_Target_ID Adenosine triphosphate_13C_2 5957 C00002 ATP_13C_2 UM_Target_ID Adenosine triphosphate_13C_3 5957 C00002 ATP_13C_3 UM_Target_ID Adenosine triphosphate_13C_4 5957 C00002 ATP_13C_4 UM_Target_ID Adenosine triphosphate_13C_5 5957 C00002 ATP_13C_5 UM_Target_ID Aspartate 5960 C00049 ASP UM_Target_ID Aspartate_13C_1 5960 C00049 ASP_13C_1 UM_Target_ID Aspartate_13C_2 5960 C00049 ASP_13C_2 UM_Target_ID Aspartate_13C_3 5960 C00049 ASP_13C_3 UM_Target_ID Aspartate_13C_4 5960 C00049 ASP_13C_4 UM_Target_ID Citrate or Isocitrate 311 C00158 CIT/ICIT UM_Target_ID Citrate or Isocitrate_13C_1 311 C00158 CIT/ICIT_13C_1 UM_Target_ID Citrate or Isocitrate_13C_2 311 C00158 CIT/ICIT_13C_2 UM_Target_ID Citrate or Isocitrate_13C_3 311 C00158 CIT/ICIT_13C_3 UM_Target_ID Citrate or Isocitrate_13C_4 311 C00158 CIT/ICIT_13C_4 UM_Target_ID Citrate or Isocitrate_13C_5 311 C00158 CIT/ICIT_13C_5 UM_Target_ID Citrate or Isocitrate_13C_6 311 C00158 CIT/ICIT_13C_6 UM_Target_ID Erythrose 4-phosphate 122357 C00279 E4P UM_Target_ID Erythrose 4-phosphate_13C_1 122357 C00279 E4P_13C_1 UM_Target_ID Erythrose 4-phosphate_13C_2 122357 C00279 E4P_13C_2 UM_Target_ID Erythrose 4-phosphate_13C_3 122357 C00279 E4P_13C_3 UM_Target_ID Erythrose 4-phosphate_13C_4 122357 C00279 E4P_13C_4 UM_Target_ID Fructose 1,6-bisphosphate 172313 C00354 FBP UM_Target_ID Fructose 1,6-bisphosphate_13C_1 172313 C00354 FBP_13C_1 UM_Target_ID Fructose 1,6-bisphosphate_13C_2 172313 C00354 FBP_13C_2 UM_Target_ID Fructose 1,6-bisphosphate_13C_3 172313 C00354 FBP_13C_3 UM_Target_ID Fructose 1,6-bisphosphate_13C_4 172313 C00354 FBP_13C_4 UM_Target_ID Fructose 1,6-bisphosphate_13C_5 172313 C00354 FBP_13C_5 UM_Target_ID Fructose 1,6-bisphosphate_13C_6 172313 C00354 FBP_13C_6 UM_Target_ID Glucose 6-phosphate or fructose-6-phosphate 5958 C00092 G6P/F6P UM_Target_ID Glucose 6-phosphate or fructose-6-phosphate_13C_1 5958 C00092 G6P/F6P_13C_1 UM_Target_ID Glucose 6-phosphate or fructose-6-phosphate_13C_2 5958 C00092 G6P/F6P_13C_2 UM_Target_ID Glucose 6-phosphate or fructose-6-phosphate_13C_3 5958 C00092 G6P/F6P_13C_3 UM_Target_ID Glucose 6-phosphate or fructose-6-phosphate_13C_4 5958 C00092 G6P/F6P_13C_4 UM_Target_ID Glucose 6-phosphate or fructose-6-phosphate_13C_5 5958 C00092 G6P/F6P_13C_5 UM_Target_ID Glucose 6-phosphate or fructose-6-phosphate_13C_6 5958 C00092 G6P/F6P_13C_6 UM_Target_ID Glutamate 611 GLU UM_Target_ID Glutamate_13C_1 611 GLU_13C_1 UM_Target_ID Glutamate_13C_2 611 GLU_13C_2 UM_Target_ID Glutamate_13C_3 611 GLU_13C_3 UM_Target_ID Glutamate_13C_4 611 GLU_13C_4 UM_Target_ID Glutamate_13C_5 611 GLU_13C_5 UM_Target_ID Lactate 107689 C00186 LAC UM_Target_ID Lactate_13C_1 107689 C00186 LAC_13C_1 UM_Target_ID Lactate_13C_2 107689 C00186 LAC_13C_2 UM_Target_ID Lactate_13C_3 107689 C00186 LAC_13C_3 UM_Target_ID Malate 222656 C00149 MAL UM_Target_ID Malate_13C_1 222656 C00149 MAL_13C_1 UM_Target_ID Malate_13C_2 222656 C00149 MAL_13C_2 UM_Target_ID Malate_13C_3 222656 C00149 MAL_13C_3 UM_Target_ID Malate_13C_4 222656 C00149 MAL_13C_4 UM_Target_ID Malonyl-CoA 644066 C00083 mCoA UM_Target_ID Malonyl-CoA_13C_1 644066 C00083 mCoA_13C_1 UM_Target_ID Malonyl-CoA_13C_2 644066 C00083 mCoA_13C_2 UM_Target_ID Malonyl-CoA_13C_3 644066 C00083 mCoA_13C_3 UM_Target_ID Nicotinamide Adenine Dinucleotide oxidized 10897651 C00003 NAD UM_Target_ID Nicotinamide Adenine Dinucleotide oxidized_13C_1 10897651 C00003 NAD_13C_1 UM_Target_ID Nicotinamide Adenine Dinucleotide oxidized_13C_2 10897651 C00003 NAD_13C_2 UM_Target_ID Nicotinamide Adenine Dinucleotide oxidized_13C_3 10897651 C00003 NAD_13C_3 UM_Target_ID Nicotinamide Adenine Dinucleotide oxidized_13C_4 10897651 C00003 NAD_13C_4 UM_Target_ID Nicotinamide Adenine Dinucleotide oxidized_13C_5 10897651 C00003 NAD_13C_5 UM_Target_ID Nicotinamide Adenine Dinucleotide reduced 439153 C00004 NADH UM_Target_ID Nicotinamide Adenine Dinucleotide reduced_13C_1 439153 C00004 NADH_13C_1 UM_Target_ID Nicotinamide Adenine Dinucleotide reduced_13C_2 439153 C00004 NADH_13C_2 UM_Target_ID Nicotinamide Adenine Dinucleotide reduced_13C_3 439153 C00004 NADH_13C_3 UM_Target_ID Nicotinamide Adenine Dinucleotide reduced_13C_4 439153 C00004 NADH_13C_4 UM_Target_ID Nicotinamide Adenine Dinucleotide reduced_13C_5 439153 C00004 NADH_13C_5 UM_Target_ID Phosphoenolpyruvate 1005 C00074 PEP UM_Target_ID Phosphoenolpyruvate_13C_1 1005 C00074 PEP_13C_1 UM_Target_ID Phosphoenolpyruvate_13C_2 1005 C00074 PEP_13C_2 UM_Target_ID Phosphoenolpyruvate_13C_3 1005 C00074 PEP_13C_3 UM_Target_ID Ribose-5-phosphate or xylulose 5-phosphate 77982 C00117 R5P/X5P UM_Target_ID Ribose-5-phosphate or xylulose 5-phosphate_13C_1 77982 C00117 R5P/X5P_13C_1 UM_Target_ID Ribose-5-phosphate or xylulose 5-phosphate_13C_2 77982 C00117 R5P/X5P_13C_2 UM_Target_ID Ribose-5-phosphate or xylulose 5-phosphate_13C_3 77982 C00117 R5P/X5P_13C_3 UM_Target_ID Ribose-5-phosphate or xylulose 5-phosphate_13C_4 77982 C00117 R5P/X5P_13C_4 UM_Target_ID Ribose-5-phosphate or xylulose 5-phosphate_13C_5 77982 C00117 R5P/X5P_13C_5 UM_Target_ID Sedoheptulose 7-phosphate 165007 C05382 S7P UM_Target_ID Sedoheptulose 7-phosphate_13C_1 165007 C05382 S7P_13C_1 UM_Target_ID Sedoheptulose 7-phosphate_13C_2 165007 C05382 S7P_13C_2 UM_Target_ID Sedoheptulose 7-phosphate_13C_3 165007 C05382 S7P_13C_3 UM_Target_ID Sedoheptulose 7-phosphate_13C_4 165007 C05382 S7P_13C_4 UM_Target_ID Sedoheptulose 7-phosphate_13C_5 165007 C05382 S7P_13C_5 UM_Target_ID Sedoheptulose 7-phosphate_13C_6 165007 C05382 S7P_13C_6 UM_Target_ID Sedoheptulose 7-phosphate_13C_7 165007 C05382 S7P_13C_7 UM_Target_ID Sucrose 5988 C00089 SUC UM_Target_ID Sucrose_13C_1 5988 C00089 SUC_13C_1 UM_Target_ID Sucrose_13C_2 5988 C00089 SUC_13C_2 UM_Target_ID Sucrose_13C_3 5988 C00089 SUC_13C_3 UM_Target_ID Sucrose_13C_4 5988 C00089 SUC_13C_4 UM_Target_ID METABOLITES_END #END