#METABOLOMICS WORKBENCH araskind_20150410_9510721_mwtab.txt DATATRACK_ID:228 STUDY_ID:ST000154 ANALYSIS_ID:AN000246 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 Use of Aspartate Dehydrogenase by cancer cells ST:STUDY_SUMMARY The human acute lymphoblastic leukemia cell line (Jurkat) was used to isolate a ST:STUDY_SUMMARY clones based on Noxa expression. JP6 is low Noxa, JP3 is high Noxa. Furthermore, ST:STUDY_SUMMARY a Noxa expressing plasmid was tranfected and stable clones were selected for a ST:STUDY_SUMMARY Noxa high model (N5). 10E6 cells were starved of glucose (A) or glutamine (B&C) ST:STUDY_SUMMARY for 3 hours and then fed 13C 1,2 glucose (A), 15N alpha nitrogen glutamine (B) ST:STUDY_SUMMARY or 15N amide nitrogen glutamine (C) for 24 hours. Cells were washed 1X in ice ST:STUDY_SUMMARY cold PBS and resuspended in -20C methanol. Quenched cells were snap frozen and ST:STUDY_SUMMARY stored at -80. For experiment A we would like to observe the contribution of ST:STUDY_SUMMARY labeled glucose into the synthesis of amino acids, specifically glycine and ST:STUDY_SUMMARY serine. For experiment B we are most interested in the nitrogen incorporation ST:STUDY_SUMMARY into aspartate. SCB edits: This fluxomics study requires measuring amino acids ST:STUDY_SUMMARY for M, M+1, M+2, and M+3 prioritizing glycine, serine, aspartate, asparagine, ST:STUDY_SUMMARY ornithine, citrulline, then as many as possible using a diamond hydride column ST:STUDY_SUMMARY and LCMS method (see CEvans). 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 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 SU0011617 S00017122 Type:Noxa high clone | Treatment:13C labeled glucose SUBJECT_SAMPLE_FACTORS SU0011617 S00017123 Type:Noxa high clone | Treatment:13C labeled glucose SUBJECT_SAMPLE_FACTORS SU0011617 S00017124 Type:Noxa high clone | Treatment:13C labeled glucose SUBJECT_SAMPLE_FACTORS SU0011617 S00017131 Type:Noxa high clone | Treatment:15N alpha nitrogen labeled glutamine SUBJECT_SAMPLE_FACTORS SU0011617 S00017132 Type:Noxa high clone | Treatment:15N alpha nitrogen labeled glutamine SUBJECT_SAMPLE_FACTORS SU0011617 S00017133 Type:Noxa high clone | Treatment:15N alpha nitrogen labeled glutamine SUBJECT_SAMPLE_FACTORS SU0011617 S00017140 Type:Noxa high clone | Treatment:15N amide nitrogen labeled glutamine SUBJECT_SAMPLE_FACTORS SU0011617 S00017141 Type:Noxa high clone | Treatment:15N amide nitrogen labeled glutamine SUBJECT_SAMPLE_FACTORS SU0011617 S00017142 Type:Noxa high clone | Treatment:15N amide nitrogen labeled glutamine SUBJECT_SAMPLE_FACTORS SU0011619 S00017128 Type:Noxa high plasmid | Treatment:13C labeled glucose SUBJECT_SAMPLE_FACTORS SU0011619 S00017129 Type:Noxa high plasmid | Treatment:13C labeled glucose SUBJECT_SAMPLE_FACTORS SU0011619 S00017130 Type:Noxa high plasmid | Treatment:13C labeled glucose SUBJECT_SAMPLE_FACTORS SU0011619 S00017137 Type:Noxa high plasmid | Treatment:15N alpha nitrogen labeled glutamine SUBJECT_SAMPLE_FACTORS SU0011619 S00017138 Type:Noxa high plasmid | Treatment:15N alpha nitrogen labeled glutamine SUBJECT_SAMPLE_FACTORS SU0011619 S00017139 Type:Noxa high plasmid | Treatment:15N alpha nitrogen labeled glutamine SUBJECT_SAMPLE_FACTORS SU0011619 S00017146 Type:Noxa high plasmid | Treatment:15N amide nitrogen labeled glutamine SUBJECT_SAMPLE_FACTORS SU0011619 S00017147 Type:Noxa high plasmid | Treatment:15N amide nitrogen labeled glutamine SUBJECT_SAMPLE_FACTORS SU0011619 S00017148 Type:Noxa high plasmid | Treatment:15N amide nitrogen labeled glutamine SUBJECT_SAMPLE_FACTORS SU0011618 S00017125 Type:Noxa low clone | Treatment:13C labeled glucose SUBJECT_SAMPLE_FACTORS SU0011618 S00017126 Type:Noxa low clone | Treatment:13C labeled glucose SUBJECT_SAMPLE_FACTORS SU0011618 S00017127 Type:Noxa low clone | Treatment:13C labeled glucose SUBJECT_SAMPLE_FACTORS SU0011618 S00017134 Type:Noxa low clone | Treatment:15N alpha nitrogen labeled glutamine SUBJECT_SAMPLE_FACTORS SU0011618 S00017135 Type:Noxa low clone | Treatment:15N alpha nitrogen labeled glutamine SUBJECT_SAMPLE_FACTORS SU0011618 S00017136 Type:Noxa low clone | Treatment:15N alpha nitrogen labeled glutamine SUBJECT_SAMPLE_FACTORS SU0011618 S00017143 Type:Noxa low clone | Treatment:15N amide nitrogen labeled glutamine SUBJECT_SAMPLE_FACTORS SU0011618 S00017144 Type:Noxa low clone | Treatment:15N amide nitrogen labeled glutamine SUBJECT_SAMPLE_FACTORS SU0011618 S00017145 Type:Noxa low clone | Treatment:15N amide nitrogen labeled glutamine #COLLECTION CO:SAMPLE_TYPE Cell Extracts CO:COLLECTION_SUMMARY - #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_PROTOCOL_FILENAME Fluxomics_analysis_protocol-2015-03-11.docx 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 #MS MS:INSTRUMENT_NAME Agilent 5975C MS:INSTRUMENT_TYPE Single quadrupole MS:MS_TYPE EI MS:ION_MODE POSITIVE MS:MS_COMMENTS GCMS #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Area MS_METABOLITE_DATA_START Samples S00017123 S00017124 S00017131 S00017132 S00017133 S00017140 S00017141 S00017142 S00017128 S00017129 S00017130 S00017137 S00017138 S00017139 S00017146 S00017147 S00017148 S00017125 S00017126 S00017127 S00017134 S00017135 S00017136 S00017143 S00017144 S00017145 Factors Type:Noxa high clone | Treatment:13C labeled glucose Type:Noxa high clone | Treatment:13C labeled glucose Type:Noxa high clone | Treatment:15N alpha nitrogen labeled glutamine Type:Noxa high clone | Treatment:15N alpha nitrogen labeled glutamine Type:Noxa high clone | Treatment:15N alpha nitrogen labeled glutamine Type:Noxa high clone | Treatment:15N amide nitrogen labeled glutamine Type:Noxa high clone | Treatment:15N amide nitrogen labeled glutamine Type:Noxa high clone | Treatment:15N amide nitrogen labeled glutamine Type:Noxa high plasmid | Treatment:13C labeled glucose Type:Noxa high plasmid | Treatment:13C labeled glucose Type:Noxa high plasmid | Treatment:13C labeled glucose Type:Noxa high plasmid | Treatment:15N alpha nitrogen labeled glutamine Type:Noxa high plasmid | Treatment:15N alpha nitrogen labeled glutamine Type:Noxa high plasmid | Treatment:15N alpha nitrogen labeled glutamine Type:Noxa high plasmid | Treatment:15N amide nitrogen labeled glutamine Type:Noxa high plasmid | Treatment:15N amide nitrogen labeled glutamine Type:Noxa high plasmid | Treatment:15N amide nitrogen labeled glutamine Type:Noxa low clone | Treatment:13C labeled glucose Type:Noxa low clone | Treatment:13C labeled glucose Type:Noxa low clone | Treatment:13C labeled glucose Type:Noxa low clone | Treatment:15N alpha nitrogen labeled glutamine Type:Noxa low clone | Treatment:15N alpha nitrogen labeled glutamine Type:Noxa low clone | Treatment:15N alpha nitrogen labeled glutamine Type:Noxa low clone | Treatment:15N amide nitrogen labeled glutamine Type:Noxa low clone | Treatment:15N amide nitrogen labeled glutamine Type:Noxa low clone | Treatment:15N amide nitrogen labeled glutamine Asparagine 347905.9258 487542.0262 249479.8740 238969.3327 276367.1229 283459.9889 270962.2157 324448.3480 526459.0361 568108.3298 562721.2500 316608.3761 331395.4332 325389.1555 213364.3024 159343.3498 234926.8353 492934.7125 585060.8853 531257.5954 327831.1158 367583.4295 326356.0296 314436.0907 258133.5129 237926.0970 Asparagine_1 232.7683 2647.2562 1016.1461 4868.4361 2991.0253 5053.3959 2352.8367 2652.8966 3690.8528 6516.3158 4203.8023 6861.2974 564.4186 2091.6683 1543.4484 1809.9524 5782.8401 2259.5801 4944.0144 Asparagine_2 1623.1846 1143.3878 180.9720 2697.8437 1071.3199 976.4687 170.2294 4281.9577 1574.2909 170.2917 386.5338 2168.9122 1027.9035 846.9982 75.3033 326.0384 Asparagine_3 1660.7184 366.6709 224.5980 18.1598 426.7256 1054.2254 684.3197 548.6004 604.5416 64.0471 2102.7453 1285.6709 383.2123 714.9047 37.9854 408.7457 Aspartate 193311.3010 296255.3024 308569.5338 266032.3964 288991.2364 613136.9247 699104.4344 814597.3558 475259.5636 533685.7197 525415.7288 243322.2839 252816.7784 242965.7803 335197.2967 233367.8296 368857.0483 138766.5191 133943.8481 135275.0131 100246.0413 105994.3057 107294.6600 144748.4749 122671.2079 108740.5441 Aspartate_13C_1 15101.1755 26206.5212 277203.5708 238619.4522 257200.2166 203.1683 36633.7431 14601.0769 40249.3724 228002.8882 237930.3149 229045.2478 1613.5852 1693.5889 3332.1937 9569.5554 9987.9477 10329.3626 58610.2146 62390.9504 61191.9121 570.4963 Aspartate_13C_2 39581.4953 59539.4459 2528.6037 2177.5906 2224.4988 2366.3866 106816.5274 107451.1939 120149.6800 3026.6571 1778.4352 1888.2719 21120.0935 21602.1086 22368.2503 1359.8028 2284.6013 164.1196 155.3086 93.5522 Aspartate_13C_3 8048.2995 13148.9862 1949.9157 1553.0890 391.0015 3585.3512 14767.0862 16716.9557 15055.7171 1710.9147 1452.7733 961.5561 756.4837 595.8256 6018.8177 5913.6865 6355.2641 731.7871 305.3048 1305.5160 1279.9291 753.0703 161.9411 Cysteine 51596.9634 83188.0145 41571.6617 37580.1870 42386.7403 39774.4993 46431.8159 44535.3642 89015.6278 88922.6847 99098.2116 74674.9938 77512.9067 75257.5389 43108.5253 31257.2110 48924.0581 38223.8342 40961.7023 28951.2455 51255.1110 57494.4058 56962.8439 50184.5908 42929.5480 38687.1425 Cysteine_1 1019.5537 1442.8577 907.8910 929.5582 96.3027 1204.2301 1733.7845 1609.9079 1865.0217 2253.6432 1560.6663 1130.3448 632.5898 964.6998 1267.6040 3640.5579 4627.1166 3293.8963 1620.4794 283.0262 481.9747 542.7973 55.9324 Cysteine_2 1160.4634 59.6960 699.8628 375.8634 577.0073 971.7617 188.5043 976.2499 907.2493 883.7913 90.6427 887.9408 181.4646 Cysteine_3 28148.4672 31321.1298 7147.6086 7543.2409 4338.4313 6786.4434 13072.3200 13104.9974 6695.1328 4803.9222 7242.0467 4098.2488 3538.3616 3228.7840 3933.5411 1957.2619 4826.7918 17455.1618 6548.6092 16750.5800 8102.6719 8774.5813 10604.1438 18984.7356 16184.8135 14776.6317 Glutamate 7219419.9830 9843357.9780 4908159.7410 4336134.3990 4686839.3420 9511826.0810 10423484.6600 10722566.5300 9285286.8150 9292879.7310 10091605.1300 4435380.3490 4707202.4260 4501425.7250 6341146.5430 4357909.6490 6870020.6960 10673473.3000 10938976.4900 10667152.0200 5233718.4440 5599012.1850 5607648.2920 8933893.3470 8259703.2780 7329544.0680 Glutamate_13C_1 544320.8857 815980.3015 4726640.2480 4209660.0780 4552105.0840 277186.0597 313171.2181 412571.6753 702804.2436 692381.3358 815860.2126 4672503.9370 4917114.3410 4737612.3470 115323.9982 53226.0150 146548.6168 1170493.9650 1237966.6960 1188315.7300 4609026.4020 4939781.4880 4956389.9680 239059.4522 195500.6850 160434.5267 Glutamate_13C_2 1509810.0110 2098692.7220 122362.7907 109976.2547 123576.0761 43184.1712 72500.1073 84311.4752 2035669.2270 2030714.3230 2200261.6880 131733.6600 131772.6022 125984.1948 12578.1143 5639.0063 20468.2544 2851048.1370 2912613.2430 2826454.9580 153659.7161 148587.7118 145550.1481 36554.5505 30893.9452 21590.1699 Glutamate_13C_3 323806.7339 465151.2400 24413.9165 16117.1932 12951.9571 308864.2520 313245.7762 332749.3317 18905.7199 23737.1697 16415.8107 733327.5150 742499.9933 735271.0417 15008.1653 19088.3494 21480.7354 Glutamine 1207381.5340 1805070.7560 1386.1953 3372.0393 1652.9218 2460.2909 2367175.4710 2292475.6290 2605805.3670 2109.6051 2508.7110 1628.9924 885.4876 1033.0730 2466856.2750 2478211.7840 2465617.3220 715.9466 1612.3423 458.3157 1861.4610 1289.6145 Glutamine_1 6473.2533 7711.1019 4299044.9310 3869990.2070 4030831.5230 3144316.5310 3360797.4590 3496376.7530 9625.7784 15434.5878 23658.8499 4831121.3120 5171862.9400 4786637.3890 2155991.1840 1398791.4990 2264813.4320 13412.0902 16044.5708 19110.8041 6040444.6860 6528963.6040 6702480.8650 4090803.6470 3538186.2320 3139608.2480 Glutamine_2 4287.9792 139.6284 59269.6575 63040.4696 49140.3206 37937.2172 43921.2824 45388.5652 10960.1273 5073.0795 5513.7349 81567.1278 74819.7069 81289.7177 21248.0585 16010.6836 14583.6280 17354.7119 16099.4421 14040.1263 118409.8209 141107.9544 151630.5575 65739.0627 43184.4408 41344.3966 Glutamine_3 1381.3705 1468.4383 2609.1612 1405.7720 3667.1519 3764.4780 2150.1108 9635.8355 3518.0151 875.1091 6388.2177 3090.0303 3440.3470 14964.3130 17761.5081 4939.0555 3257.8320 Glycine 2790695.8370 3817840.5030 735416.9688 878452.9121 486913.9714 556057.9392 1073410.2850 1150332.7110 2370436.2340 1235020.0160 2248589.3340 1131849.8870 708209.5497 741386.0568 980528.1327 693329.3502 1050895.7010 2480067.6370 1313769.9180 1428829.1820 351999.4694 384222.9477 669631.5879 588641.7612 510188.4749 458178.5644 Glycine_1 2344.2889 6926.8724 9716.0310 499.2921 34221.6497 21963.9849 51319.6258 40067.9806 23598.7660 30874.4222 Glycine_2 3076.0002 224.6742 746.4594 933.6726 1656.7934 Isoleucine 2297.0714 28507.7494 21195.0619 2934.2951 4636.2425 388.2074 2954.1559 2663.7957 11361.3260 1892.4738 793.8100 2328.6437 13823.8947 1413.0500 3301.1921 3220.9018 1594.3135 20716.6969 3036.2380 27533.9707 1792.1503 17150.3856 20808.4821 1781.6694 6563.9034 5721.7199 Isoleucine_1 2356.0631 335.3533 1192.9867 318.1586 88.3177 1200.8889 2386.5202 1358.2959 720.6870 1275.1358 610.7799 354.5998 451.6529 Isoleucine_2 2598.2898 1441.1354 2064.0787 4349.7951 1258.6493 903.8792 839.2147 679.0337 328.2588 422.8597 4052.0661 2280.8939 857.8174 1842.3365 175.4664 Isoleucine_3 Leucine 527171.8673 815108.8686 446404.0361 374490.9274 417697.5094 390088.6859 422518.8942 452075.0741 480340.9536 485902.2138 532079.8277 378120.4598 401480.5456 381564.0423 258226.3541 177478.8709 278587.9445 768602.1089 828300.5443 815910.1195 504824.7770 545657.2722 540398.7296 449586.6765 401225.9917 355012.1215 Leucine_1 4390.7320 3247.3544 1205.4423 4410.2966 3709.8196 3036.0484 2923.5861 4195.4478 3056.7629 3225.2055 1571.5597 3637.7390 6808.0550 3786.6923 1130.3198 5186.0091 1410.8680 2421.3058 6052.7935 4990.5170 4163.3060 5953.5621 6549.6689 578.7495 3709.4152 2063.1564 Leucine_2 Leucine_3 756.0291 829.3216 2863.5764 0.7716 1237.2692 524.9623 205.6948 13.7154 404.9793 467.6464 1398.4914 674.3799 215.9858 958.9058 133.2897 1108.3734 1720.5762 240.4754 422.4751 860.6707 1261.6993 Lysine 10096.8350 13449.1963 4837.9247 6855.1173 4882.8701 1752.7383 2702.8806 4839.5507 5329.4324 2988.1565 5099.1991 2186.0852 497.9204 2473.7830 3910.9436 2254.5122 3467.6575 10069.5025 5316.0196 6238.5767 7586.4576 3317.9515 1370.6930 4425.3557 3369.3300 3531.2802 Lysine_1 1414.2603 2656.0111 1393.6657 1407.4433 566.6657 1481.2107 685.6527 601.7290 2172.3606 523.3730 1073.2332 630.4322 577.3514 2040.5716 1212.3683 2087.8485 701.9722 2064.4942 1462.3924 683.0734 1725.8310 383.5705 Lysine_2 552.7760 616.0488 20.6299 214.8891 279.5040 950.0639 174.9330 369.1321 787.8764 214.1169 594.0841 672.8540 433.0389 648.7401 821.2194 673.5849 84.7466 414.3190 34.0928 769.7956 427.1570 902.7131 Lysine_3 48.0941 1255.2289 447.7222 1672.9149 705.8088 98.9397 908.6890 72.9092 526.9812 1031.7365 243.0756 330.1802 545.5024 210.6368 25.9324 429.1073 50.2913 Methionine 68098.5573 102866.8670 50191.5902 45549.8054 48024.5116 44427.7541 50988.1954 52523.9413 59972.7325 57645.5386 66694.3629 45038.2834 47205.5528 44537.3784 29477.7598 20744.4874 31622.7274 95413.4044 94726.1647 93504.2866 60622.1473 64129.7637 63762.1808 49852.3599 45873.1551 39495.5741 Methionine_1 259.5921 2629.0373 2923.2804 2244.6333 482.6736 39.7567 1671.1912 788.7615 1077.2030 1184.5291 2513.3126 3165.1921 3631.1758 372.0551 1306.8180 110.9042 2049.7912 1501.1585 1057.6106 1989.7211 2982.8297 711.5058 631.5470 1311.5848 Methionine_2 2308.7947 5608.7933 2704.5406 1194.6704 1742.3353 1934.8409 2733.1085 2449.2980 2410.6453 2983.0041 3891.5357 1698.8092 1805.5680 1728.1719 1111.6217 763.4112 1741.6929 5031.3304 3984.1314 3293.7336 3012.8638 3762.6119 4191.3320 1884.5810 2334.7412 2524.1211 Methionine_3 372.2702 269.7918 669.3907 368.0314 160.8113 439.2448 386.8934 251.6324 209.3869 478.0558 482.1198 31.9094 516.2729 177.8158 124.2623 578.1935 160.5033 333.6286 417.2220 25.4617 95.8700 Phenylalanine 61455.1598 96468.4228 51642.4368 42652.3278 45475.8486 43981.3088 49466.5868 50952.0509 58141.4656 59979.1220 64626.7225 43952.8038 47834.7016 44085.7430 28469.6290 19741.0265 29871.1700 91811.5452 94170.2187 91721.5426 56569.4287 61150.0708 60324.3433 50397.8383 43243.6478 37924.8652 Phenylalanine_1 Phenylalanine_2 Phenylalanine_3 1164.1845 7.5427 70.1109 966.1929 331.5468 162.5346 98.4060 251.1186 82.4725 1231.8818 232.4850 1642.2914 114.7851 245.8840 Proline 81584.2795 131609.8213 26011.5734 20063.5396 19670.6985 18311.0110 27556.6408 35155.1723 50637.4711 43018.3226 54509.7327 27185.8424 25849.8655 24059.4120 24581.1031 16955.9678 25700.9205 106704.8715 78170.0654 83459.4737 36064.6321 35558.1082 37911.7826 43767.4776 38261.6466 33469.0152 Proline_1 1326.7533 1584.1841 519.8727 1505.5276 656.8599 466.9653 211.1191 719.3290 Proline_2 4195.4746 3001.1464 3768.6452 4069.5366 3878.8808 3769.6155 7456.6705 6500.5503 6097.0469 Serine 404682.8491 584757.7783 253367.4468 240918.5914 239364.8763 249356.0183 280226.1069 301676.2234 581877.0954 546619.9073 624870.4779 309646.2429 307957.4328 302044.7717 220769.7545 159512.3890 244131.6054 732644.7985 688354.2607 677244.4024 214106.1353 223938.0577 230070.3026 169685.8583 145521.1248 128656.2349 Serine_1 2660.1231 63.2435 3836.2658 1288.7277 3991.1790 40539.9633 36098.5315 42723.3018 16748.9205 16033.5475 14698.4761 Serine_2 10603.5523 17645.2535 724.2904 2580.7523 1624.1482 17081.7850 14048.1457 18653.9761 648.4298 1769.3910 7764.6363 6077.8617 4510.7763 618.3125 2152.3831 1391.5641 742.9934 424.1223 Serine_3 435.0411 541.1025 550.7198 814.0968 261.7622 170.6476 343.6500 494.0493 379.0415 371.0092 737.8674 Threonine 102397.2082 158849.4992 66329.7695 57912.8803 60874.4272 60890.5673 68818.4874 69281.8630 105077.9209 102846.5982 118262.8077 67790.6258 70246.7886 68099.9381 43194.2483 26836.3409 47832.4946 158158.8626 158591.1876 157578.5639 76423.6679 81442.6069 84605.9160 65220.4386 56521.0799 50325.5886 Threonine_1 10070.3505 16597.6321 6916.3911 7074.8698 4810.2832 7293.6045 6795.9802 7041.6760 10791.3514 10975.1514 11210.6522 6558.4863 6661.6282 6259.5766 4980.6073 2838.8789 5270.0403 14187.1077 16275.0580 15397.4651 8512.1587 7820.8245 7406.5764 5423.6824 6255.2992 4167.7767 Threonine_2 3301.9305 6371.4399 2887.5616 1960.3295 2533.1278 2272.9020 3255.9772 3236.1384 2967.6615 3673.5857 4247.4908 2268.5953 3213.2127 3085.3767 1162.3217 1266.6803 1977.9409 7457.5657 4539.1024 5685.6096 2858.4977 3067.1903 4009.6783 3184.1704 2299.2191 2217.1750 Threonine_3 248.3424 686.6445 97.3355 288.4846 733.7857 165.5950 235.2024 460.2135 354.4509 467.4643 1000.9088 389.5167 232.9163 37.1440 115.1857 296.0970 702.0207 1077.2482 173.2892 565.5949 195.0423 9.0738 862.0357 29.7295 Tryptophan 9471.3446 1686.8955 6946.2291 8852.4419 6939.6221 6300.4640 10151.4931 8104.4536 8362.4606 6806.0463 8033.8045 6929.2695 6174.8289 6424.0565 3480.3633 2078.2361 4163.3991 13495.2293 11547.0352 11236.9818 8776.0563 8472.7485 9721.4771 5693.0278 5341.8165 7615.5840 Tryptophan_1 6052.6100 5383.7363 1445.0240 1546.2472 266.4619 3064.9189 1766.2941 1210.1889 653.6618 1965.4174 1018.2447 118.6511 1179.0653 902.4915 Tryptophan_2 340.5951 4087.0931 578.6793 697.1410 1443.9096 2722.4904 3665.4307 1113.3923 691.7854 1643.3812 180.2323 340.0288 4921.8357 179.3766 882.1454 1111.5728 470.8945 2204.4462 1656.6419 Tryptophan_3 1818.3985 900.8164 650.0426 694.2079 158.5208 624.0779 2216.2647 6.6717 1873.6461 1142.8734 512.7850 1172.4454 226.8306 832.7416 690.1148 1939.6249 644.4997 Tryptophan_4 Valine 906770.3361 1410133.2540 1613444.1920 1380105.4480 1123557.6370 1341144.3940 1716751.8660 1857707.8070 1497523.5300 1301096.4290 1687652.3490 1465137.1340 1471026.2220 1478511.7810 1057704.2490 705415.9566 1156405.0620 1561701.1010 1419251.6420 1408983.9590 1173871.5450 1296526.5050 1584551.5980 1324935.8880 1166257.6340 1039804.8840 Valine_1 5358.8394 2367.0914 1111.3906 1742.4174 3811.9432 2433.7344 2063.2570 895.0300 4132.2424 6308.6996 888.3474 Valine_2 719.3009 1179.0539 2150.8401 1209.6872 1494.5050 1793.9247 1248.0966 1154.4975 1063.5075 Valine_3 101.7118 509.3521 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 Asparagine 6267 C00152 Asn UM_Target_ID Asparagine 6267 C00152 ASN_13C_1 UM_Target_ID Asparagine 6267 C00152 ASN_13C_2 UM_Target_ID Asparagine 6267 C00152 ASN_13C_3 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 Cysteine 594 C00097 Cys UM_Target_ID Cysteine 594 C00097 CYS_13C_1 UM_Target_ID Cysteine 594 C00097 CYS_13C_2 UM_Target_ID Cysteine 594 C00097 CYS_13C_3 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 Glutamine 5961 C00064 Gln UM_Target_ID Glutamine 5961 C00064 GLN_13C_1 UM_Target_ID Glutamine 5961 C00064 GLN_13C_2 UM_Target_ID Glutamine 5961 C00064 GLN_13C_3 UM_Target_ID Glycine 750 C00037 Gly UM_Target_ID Glycine 750 C00037 GLY_13C_1 UM_Target_ID Glycine 750 C00037 GLY_13C_2 UM_Target_ID Isoleucine 6306 C00407 Ile UM_Target_ID Isoleucine 6306 C00407 ILE_13C_1 UM_Target_ID Isoleucine 6306 C00407 ILE_13C_2 UM_Target_ID Isoleucine 6306 C00407 ILE_13C_3 UM_Target_ID Leucine 6106 C00123 Leu UM_Target_ID Leucine 6106 C00123 LEU_13C_1 UM_Target_ID Leucine 6106 C00123 LEU_13C_2 UM_Target_ID Leucine 6106 C00123 LEU_13C_3 UM_Target_ID Lysine 5962 C00047 Lys UM_Target_ID Lysine 5962 C00047 LYS_13C_1 UM_Target_ID Lysine 5962 C00047 LYS_13C_2 UM_Target_ID Lysine 5962 C00047 LYS_13C_3 UM_Target_ID Methionine 6137 C00073 Met UM_Target_ID Methionine 6137 C00073 MET_13C_1 UM_Target_ID Methionine 6137 C00073 MET_13C_2 UM_Target_ID Methionine 6137 C00073 MET_13C_3 UM_Target_ID Phenylalanine 6140 C00079 Phe UM_Target_ID Phenylalanine 6140 C00079 PHE_13C_1 UM_Target_ID Phenylalanine 6140 C00079 PHE_13C_2 UM_Target_ID Phenylalanine 6140 C00079 PHE_13C_3 UM_Target_ID Proline 145742 C00148 Pro UM_Target_ID Proline 145742 C00148 PRO_13C_1 UM_Target_ID Proline 145742 C00148 PRO_13C_2 UM_Target_ID Serine 5951 C00065 Ser UM_Target_ID Serine 5951 C00065 SER_13C_1 UM_Target_ID Serine 5951 C00065 SER_13C_2 UM_Target_ID Serine 5951 C00065 SER_13C_3 UM_Target_ID Threonine 6288 C00188 Thr UM_Target_ID Threonine 6288 C00188 THR_13C_1 UM_Target_ID Threonine 6288 C00188 THR_13C_2 UM_Target_ID Threonine 6288 C00188 THR_13C_3 UM_Target_ID Tryptophan 6305 C00078 Trp UM_Target_ID Tryptophan 6305 C00078 TRP_13C_1 UM_Target_ID Tryptophan 6305 C00078 TRP_13C_2 UM_Target_ID Tryptophan 6305 C00078 TRP_13C_3 UM_Target_ID Tryptophan 6305 C00078 TRP_13C_4 UM_Target_ID Valine 6287 C00183 Val UM_Target_ID Valine 6287 C00183 VAL_13C_1 UM_Target_ID Valine 6287 C00183 VAL_13C_2 UM_Target_ID Valine 6287 C00183 VAL_13C_3 UM_Target_ID METABOLITES_END #END