#METABOLOMICS WORKBENCH araskind_20150611_9336591_mwtab.txt DATATRACK_ID:314 STUDY_ID:ST000209 ANALYSIS_ID:AN000311 PROJECT_ID:PR000176 VERSION 1 CREATED_ON 2016-09-17 #PROJECT PR:PROJECT_TITLE Wt and KO macrophage studies PR:PROJECT_SUMMARY Temperol metabolites profile of Wt and KO macrophage in response to LPS PR:INSTITUTE Henry Ford Health System PR:DEPARTMENT Neurology PR:LABORATORY Giri Lab PR:LAST_NAME Giri PR:FIRST_NAME Shailendra PR:ADDRESS Detroit, MI PR:EMAIL sgiri1@hfhs.org PR:PHONE 313-916-7725 #STUDY ST:STUDY_TITLE Glycolysis/TCA/Nucleotide_Wt_KO_TimeCourse_LPS ST:STUDY_TYPE Wild type and AMPK KO bone marrow derived macrophage were stimulated with LPS ST:STUDY_TYPE for various time period and plates were frozen in liquid nitrogen after washing ST:STUDY_TYPE sodium acetate (200uM) solution and kept in deep freezer for further analysis. ST:STUDY_SUMMARY Wild type and AMPK KO bone marrow derived macrophage were stimulated with LPS ST:STUDY_SUMMARY for various time period and plates were frozen in liquid nitrogen after washing ST:STUDY_SUMMARY sodium acetate (200uM) solution and kept in deep freezer for further analysis. 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 - ST:NUM_GROUPS 12 ST:TOTAL_SUBJECTS 48 #SUBJECT SU:SUBJECT_TYPE - SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS SU0012202 S00018219 time course:0h | Cell type:KO macrophage | Treatment:untreated SUBJECT_SAMPLE_FACTORS SU0012202 S00018220 time course:0h | Cell type:KO macrophage | Treatment:untreated SUBJECT_SAMPLE_FACTORS SU0012202 S00018221 time course:0h | Cell type:KO macrophage | Treatment:untreated SUBJECT_SAMPLE_FACTORS SU0012202 S00018222 time course:0h | Cell type:KO macrophage | Treatment:untreated SUBJECT_SAMPLE_FACTORS SU0012196 S00018195 time course:0h | Cell type:Wt macrophage | Treatment:untreated SUBJECT_SAMPLE_FACTORS SU0012196 S00018196 time course:0h | Cell type:Wt macrophage | Treatment:untreated SUBJECT_SAMPLE_FACTORS SU0012196 S00018197 time course:0h | Cell type:Wt macrophage | Treatment:untreated SUBJECT_SAMPLE_FACTORS SU0012196 S00018198 time course:0h | Cell type:Wt macrophage | Treatment:untreated SUBJECT_SAMPLE_FACTORS SU0012205 S00018231 time course:12h | Cell type:KO macrophage | Treatment:LPS SUBJECT_SAMPLE_FACTORS SU0012205 S00018232 time course:12h | Cell type:KO macrophage | Treatment:LPS SUBJECT_SAMPLE_FACTORS SU0012205 S00018233 time course:12h | Cell type:KO macrophage | Treatment:LPS SUBJECT_SAMPLE_FACTORS SU0012205 S00018234 time course:12h | Cell type:KO macrophage | Treatment:LPS SUBJECT_SAMPLE_FACTORS SU0012199 S00018207 time course:12h | Cell type:Wt macrophage | Treatment:LPS SUBJECT_SAMPLE_FACTORS SU0012199 S00018208 time course:12h | Cell type:Wt macrophage | Treatment:LPS SUBJECT_SAMPLE_FACTORS SU0012199 S00018209 time course:12h | Cell type:Wt macrophage | Treatment:LPS SUBJECT_SAMPLE_FACTORS SU0012199 S00018210 time course:12h | Cell type:Wt macrophage | Treatment:LPS SUBJECT_SAMPLE_FACTORS SU0012206 S00018235 time course:18h | Cell type:KO macrophage | Treatment:LPS SUBJECT_SAMPLE_FACTORS SU0012206 S00018236 time course:18h | Cell type:KO macrophage | Treatment:LPS SUBJECT_SAMPLE_FACTORS SU0012206 S00018237 time course:18h | Cell type:KO macrophage | Treatment:LPS SUBJECT_SAMPLE_FACTORS SU0012206 S00018238 time course:18h | Cell type:KO macrophage | Treatment:LPS SUBJECT_SAMPLE_FACTORS SU0012200 S00018211 time course:18h | Cell type:Wt macrophage | Treatment:LPS SUBJECT_SAMPLE_FACTORS SU0012200 S00018212 time course:18h | Cell type:Wt macrophage | Treatment:LPS SUBJECT_SAMPLE_FACTORS SU0012200 S00018213 time course:18h | Cell type:Wt macrophage | Treatment:LPS SUBJECT_SAMPLE_FACTORS SU0012200 S00018214 time course:18h | Cell type:Wt macrophage | Treatment:LPS SUBJECT_SAMPLE_FACTORS SU0012207 S00018239 time course:24h | Cell type:KO macrophage | Treatment:LPS SUBJECT_SAMPLE_FACTORS SU0012207 S00018240 time course:24h | Cell type:KO macrophage | Treatment:LPS SUBJECT_SAMPLE_FACTORS SU0012207 S00018241 time course:24h | Cell type:KO macrophage | Treatment:LPS SUBJECT_SAMPLE_FACTORS SU0012207 S00018242 time course:24h | Cell type:KO macrophage | Treatment:LPS SUBJECT_SAMPLE_FACTORS SU0012201 S00018215 time course:24h | Cell type:Wt macrophage | Treatment:LPS SUBJECT_SAMPLE_FACTORS SU0012201 S00018216 time course:24h | Cell type:Wt macrophage | Treatment:LPS SUBJECT_SAMPLE_FACTORS SU0012201 S00018217 time course:24h | Cell type:Wt macrophage | Treatment:LPS SUBJECT_SAMPLE_FACTORS SU0012201 S00018218 time course:24h | Cell type:Wt macrophage | Treatment:LPS SUBJECT_SAMPLE_FACTORS SU0012203 S00018223 time course:3h | Cell type:KO macrophage | Treatment:LPS SUBJECT_SAMPLE_FACTORS SU0012203 S00018224 time course:3h | Cell type:KO macrophage | Treatment:LPS SUBJECT_SAMPLE_FACTORS SU0012203 S00018225 time course:3h | Cell type:KO macrophage | Treatment:LPS SUBJECT_SAMPLE_FACTORS SU0012203 S00018226 time course:3h | Cell type:KO macrophage | Treatment:LPS SUBJECT_SAMPLE_FACTORS SU0012197 S00018199 time course:3h | Cell type:Wt macrophage | Treatment:LPS SUBJECT_SAMPLE_FACTORS SU0012197 S00018200 time course:3h | Cell type:Wt macrophage | Treatment:LPS SUBJECT_SAMPLE_FACTORS SU0012197 S00018201 time course:3h | Cell type:Wt macrophage | Treatment:LPS SUBJECT_SAMPLE_FACTORS SU0012197 S00018202 time course:3h | Cell type:Wt macrophage | Treatment:LPS SUBJECT_SAMPLE_FACTORS SU0012204 S00018227 time course:6h | Cell type:KO macrophage | Treatment:LPS SUBJECT_SAMPLE_FACTORS SU0012204 S00018228 time course:6h | Cell type:KO macrophage | Treatment:LPS SUBJECT_SAMPLE_FACTORS SU0012204 S00018229 time course:6h | Cell type:KO macrophage | Treatment:LPS SUBJECT_SAMPLE_FACTORS SU0012204 S00018230 time course:6h | Cell type:KO macrophage | Treatment:LPS SUBJECT_SAMPLE_FACTORS SU0012198 S00018203 time course:6h | Cell type:Wt macrophage | Treatment:LPS SUBJECT_SAMPLE_FACTORS SU0012198 S00018204 time course:6h | Cell type:Wt macrophage | Treatment:LPS SUBJECT_SAMPLE_FACTORS SU0012198 S00018205 time course:6h | Cell type:Wt macrophage | Treatment:LPS SUBJECT_SAMPLE_FACTORS SU0012198 S00018206 time course:6h | Cell type:Wt macrophage | Treatment:LPS #COLLECTION CO:COLLECTION_SUMMARY - CO:SAMPLE_TYPE Macrophages #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME Gly-TCA-nucleotides_analysis_protocol-2015-03-09.docx #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Agilent 1260 CH:COLUMN_NAME Phenomenex Luna NH2 (150 x 1mm, 3um) CH:METHODS_ID AQM021 CH:METHODS_FILENAME QTOF-002-HILIC-35min-1mm_bottompheater.m.zip #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME MRC2 (University of Michigan) AN:ACQUISITION_PARAMETERS_FILE QTOF-002-HILIC-35min-1mm_bottompheater.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 pmol/µg protein MS_METABOLITE_DATA_START Samples S00018219 S00018220 S00018221 S00018222 S00018195 S00018196 S00018197 S00018198 S00018231 S00018232 S00018233 S00018234 S00018207 S00018208 S00018209 S00018210 S00018235 S00018236 S00018237 S00018238 S00018211 S00018212 S00018213 S00018214 S00018239 S00018240 S00018241 S00018242 S00018215 S00018216 S00018217 S00018218 S00018223 S00018224 S00018225 S00018226 S00018199 S00018200 S00018201 S00018202 S00018227 S00018228 S00018229 S00018230 S00018203 S00018204 S00018205 S00018206 Factors time course:0h | Cell type:KO macrophage | Treatment:untreated time course:0h | Cell type:KO macrophage | Treatment:untreated time course:0h | Cell type:KO macrophage | Treatment:untreated time course:0h | Cell type:KO macrophage | Treatment:untreated time course:0h | Cell type:Wt macrophage | Treatment:untreated time course:0h | Cell type:Wt macrophage | Treatment:untreated time course:0h | Cell type:Wt macrophage | Treatment:untreated time course:0h | Cell type:Wt macrophage | Treatment:untreated time course:12h | Cell type:KO macrophage | Treatment:LPS time course:12h | Cell type:KO macrophage | Treatment:LPS time course:12h | Cell type:KO macrophage | Treatment:LPS time course:12h | Cell type:KO macrophage | Treatment:LPS time course:12h | Cell type:Wt macrophage | Treatment:LPS time course:12h | Cell type:Wt macrophage | Treatment:LPS time course:12h | Cell type:Wt macrophage | Treatment:LPS time course:12h | Cell type:Wt macrophage | Treatment:LPS time course:18h | Cell type:KO macrophage | Treatment:LPS time course:18h | Cell type:KO macrophage | Treatment:LPS time course:18h | Cell type:KO macrophage | Treatment:LPS time course:18h | Cell type:KO macrophage | Treatment:LPS time course:18h | Cell type:Wt macrophage | Treatment:LPS time course:18h | Cell type:Wt macrophage | Treatment:LPS time course:18h | Cell type:Wt macrophage | Treatment:LPS time course:18h | Cell type:Wt macrophage | Treatment:LPS time course:24h | Cell type:KO macrophage | Treatment:LPS time course:24h | Cell type:KO macrophage | Treatment:LPS time course:24h | Cell type:KO macrophage | Treatment:LPS time course:24h | Cell type:KO macrophage | Treatment:LPS time course:24h | Cell type:Wt macrophage | Treatment:LPS time course:24h | Cell type:Wt macrophage | Treatment:LPS time course:24h | Cell type:Wt macrophage | Treatment:LPS time course:24h | Cell type:Wt macrophage | Treatment:LPS time course:3h | Cell type:KO macrophage | Treatment:LPS time course:3h | Cell type:KO macrophage | Treatment:LPS time course:3h | Cell type:KO macrophage | Treatment:LPS time course:3h | Cell type:KO macrophage | Treatment:LPS time course:3h | Cell type:Wt macrophage | Treatment:LPS time course:3h | Cell type:Wt macrophage | Treatment:LPS time course:3h | Cell type:Wt macrophage | Treatment:LPS time course:3h | Cell type:Wt macrophage | Treatment:LPS time course:6h | Cell type:KO macrophage | Treatment:LPS time course:6h | Cell type:KO macrophage | Treatment:LPS time course:6h | Cell type:KO macrophage | Treatment:LPS time course:6h | Cell type:KO macrophage | Treatment:LPS time course:6h | Cell type:Wt macrophage | Treatment:LPS time course:6h | Cell type:Wt macrophage | Treatment:LPS time course:6h | Cell type:Wt macrophage | Treatment:LPS time course:6h | Cell type:Wt macrophage | Treatment:LPS 2 or 3-phosphoglycerate_2PG/3PG 2.0313 2.3383 1.3824 1.1620 1.2591 1.8266 1.6250 2.0545 5.0507 7.5231 7.0339 6.8192 7.9065 7.9930 12.8418 9.5313 7.7386 7.3480 10.3678 8.1278 5.4326 10.9419 8.5504 6.8156 13.0123 7.0450 7.5830 4.9675 3.8059 11.9279 15.7872 18.3459 4.0851 5.4886 4.4529 4.6235 9.5993 12.3964 9.2486 7.0699 11.1149 4.6582 3.5313 4.3747 12.5597 9.2326 12.9907 5.2001 Acetyl-CoA 2.3838 2.7738 2.9103 2.6630 2.2098 2.6803 2.9470 1.6190 6.5120 4.7746 3.6157 4.7958 7.7330 6.7585 6.5009 5.1159 6.5476 7.9328 3.7125 7.1989 6.1488 11.1199 9.3356 5.8494 7.8127 11.4517 12.0889 11.6186 2.4758 10.2966 8.3978 8.6841 2.4362 2.2306 2.5734 3.3032 4.1303 2.8899 3.5463 4.1129 1.1550 2.9146 4.0479 4.0510 5.6740 4.1030 3.2140 4.2161 ADP 152.3826 134.2395 128.7785 185.8292 92.9795 108.8358 128.1439 245.2496 154.7992 180.1136 189.4136 184.4987 162.2213 193.7140 276.6600 216.3599 188.7692 229.5247 224.6675 205.9316 104.4537 202.8646 175.3313 117.7262 273.0464 216.1936 189.1339 164.9492 42.9768 167.1898 185.8470 200.6534 145.0654 187.4861 133.8297 146.3939 220.6500 294.5269 171.4763 161.9069 153.7490 209.8440 139.9549 156.5009 231.5528 211.2857 258.8136 79.6409 AMP 626.8554 541.1315 613.6219 1077.5019 199.0852 213.2463 308.1001 1343.8333 257.1675 320.2699 493.7602 470.3385 223.6339 400.4584 546.9840 444.9067 476.0139 527.0089 923.9821 439.7783 170.4950 338.2901 275.3009 328.8573 727.9358 466.0038 309.2321 245.8773 59.6097 214.9121 280.9155 335.3084 837.4908 1384.0639 718.2197 732.5884 493.7114 803.5587 380.6434 310.8194 1853.0807 1212.8314 451.2891 554.0701 489.4194 768.1655 757.7076 92.7436 ATP 1358.3061 1139.8235 1185.1945 971.4524 1258.5231 1302.3602 1800.6781 1125.9627 1305.6249 1229.4363 954.2544 1141.7190 1355.8519 1225.0553 1337.9055 1148.3488 1175.8369 1153.2871 676.0896 1243.1470 790.6899 1863.9744 1220.0477 610.0254 1289.9422 1404.3352 1586.3127 1470.0947 325.3365 1359.8592 1207.7762 1489.8915 798.8335 664.7395 1077.3523 1118.3631 1705.4321 1180.8959 1302.0642 1579.8007 400.7768 963.6757 1265.5774 1245.6835 1884.2094 1251.3914 1127.6515 1529.3608 Citrate or Isocitrate 481.4215 402.1493 363.4131 349.2164 238.7348 322.9085 310.7889 377.3650 492.1969 549.4885 516.8471 415.2135 333.9993 394.5170 473.8937 395.6316 580.1818 528.6670 440.6098 432.9756 248.2324 433.1736 381.0182 291.2502 512.6832 466.0305 479.3289 416.8673 127.9897 528.2646 497.1621 502.3672 381.9163 483.6570 405.3479 416.0720 611.7728 698.4947 640.7382 681.6162 370.8032 401.8821 461.8868 389.5469 603.3597 463.4612 443.3429 299.2793 Erythrose 4-phosphate 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 flavin adenine dinucleotide 3.8055 2.6009 3.2754 3.1509 3.3546 4.3216 4.5469 4.0517 3.2903 3.6461 3.5276 3.5452 3.6388 2.6546 4.0578 3.6416 3.8571 4.4371 2.8455 3.7649 2.2509 4.4308 3.4737 1.9957 3.9724 4.2202 3.8892 3.9462 0.8888 3.5065 3.0089 3.0322 2.6023 3.1361 3.6379 3.5660 5.0915 3.7442 3.1106 4.2174 2.8475 2.9956 2.3979 3.0337 5.5690 3.5481 3.4683 3.1514 Fructose 1_6-bisphosphate 106.5849 89.4889 99.2587 103.0284 66.0515 101.6498 122.1035 94.5820 143.2415 153.4752 144.0665 140.7738 209.9371 229.5188 257.1692 154.4575 144.4231 165.6695 145.7280 143.4722 138.4162 201.3698 147.3725 118.3832 172.2270 181.6609 173.1353 136.9489 50.5297 294.7689 207.9287 205.5987 104.1477 114.4242 123.5864 149.8075 228.0575 192.4280 194.9320 211.3544 106.7057 137.7197 131.8268 127.8112 292.7342 138.1037 202.3541 112.2038 Glucose 6-phosphate or fructose-6-phosphate 59.0714 48.1139 56.4764 83.7087 46.4096 62.6788 69.9410 97.1633 82.3991 98.5383 84.0592 93.8109 162.1255 142.9464 164.2834 118.3394 100.2795 134.0149 133.5169 150.1227 99.9763 172.8938 155.9948 120.9652 202.1324 145.5053 144.0056 106.0527 54.5862 209.4476 215.5836 221.1443 74.6371 95.6352 89.5068 107.2526 199.5429 146.3593 113.1254 119.8179 136.2496 97.0102 61.9245 74.2743 174.1959 132.9977 150.5968 145.6016 Malate 292.1321 272.6142 277.8995 271.8544 177.8768 228.9093 281.7704 320.3063 388.8331 402.2203 402.7813 376.5459 287.0781 315.6896 353.2510 290.0674 430.9977 433.7752 376.4030 406.0726 193.1785 349.2094 312.4181 232.2638 434.7442 395.7906 391.3508 359.1197 80.9338 314.0209 283.1078 304.1767 366.6489 414.5097 402.7565 457.6950 671.9871 664.5636 627.2342 701.3438 410.5272 432.1128 437.9711 411.0363 522.1032 396.0693 379.2683 290.1398 Nicotinamide Adenine Dinucleotide oxidized 16.6312 29.3546 30.8351 33.4495 25.8207 38.9466 28.1142 23.6989 39.3541 30.6566 21.8994 32.4091 37.3520 36.7315 30.9267 17.7945 17.9913 34.7260 11.7445 27.5744 21.8713 34.6697 34.3219 21.4350 14.0298 34.5333 28.2302 26.8678 7.1512 42.4737 27.9976 19.4775 28.2553 34.2560 21.9821 29.0584 57.7788 50.3228 54.9035 56.2433 8.7865 30.0673 32.8369 33.6947 40.6998 28.2315 29.3993 22.2530 nicotinamide adenine dinucleotide phosphate oxidized 96.2928 88.2458 96.4692 97.1416 66.5125 84.4922 89.4694 100.3661 88.5665 96.9109 94.5907 90.8347 86.3669 95.5184 106.7468 89.9138 95.4605 101.3392 87.9914 96.8491 57.5966 103.5428 94.4766 65.8608 111.5817 107.0669 103.4371 92.7248 25.3309 98.9024 92.1595 100.0041 78.5771 88.8863 86.8681 93.1603 107.3867 98.7886 86.3504 97.2790 93.1442 98.9329 87.4833 89.6269 123.8732 100.3645 92.5824 74.4189 nicotinamide adenine dinucleotide phosphate reduced 196.1526 205.5745 243.4719 162.8835 178.3487 246.0128 229.2866 113.2634 232.2621 190.3503 144.3541 183.8783 231.0253 176.7392 150.6969 140.5060 186.1628 156.7459 86.3620 166.6544 118.8332 222.9504 181.1923 111.8942 152.2791 211.7574 237.3747 241.2525 49.5976 193.4605 134.1107 157.7579 144.8015 124.7776 188.3602 219.9096 260.8369 151.8035 213.3392 299.0782 84.6155 163.0556 243.7016 232.6764 305.9816 194.1214 125.8221 255.2228 Nicotinamide Adenine Dinucleotide reduced 190.1455 218.3800 236.9078 179.5582 269.4894 289.4033 290.7587 159.0479 477.2889 404.5002 261.8182 435.6389 515.2815 416.5062 443.2250 369.4115 368.8787 314.6666 178.4903 339.1812 277.2383 454.9491 401.5908 207.1252 252.1329 396.1510 369.3273 406.5553 115.0653 577.1719 406.8504 394.7276 264.6009 240.6386 377.7189 422.3022 930.0375 508.0261 710.5041 1022.0454 202.2466 324.7709 532.7326 465.0680 1014.6860 601.9466 504.0570 634.8510 Phosphoenolpyruvate 5.0155 3.3532 3.6850 2.7434 4.8533 7.3520 7.2362 6.8511 150.7441 138.9271 124.0012 155.3293 210.8507 185.2176 204.0265 154.3148 209.5328 238.7793 195.1981 218.9425 175.7657 286.2329 273.3249 203.7692 325.5811 318.7577 308.2430 267.7554 108.5222 408.6433 381.2572 383.9223 8.6624 11.0381 8.7188 9.3403 31.3881 26.7206 24.7606 28.6877 43.7375 49.1263 48.3628 50.6868 101.2800 70.8769 77.8597 56.8359 Ribose-5-phosphate or xylulose 5-phosphate 18.6834 18.0070 1.0586 29.4322 7.4745 7.8788 10.5163 33.8177 25.3936 33.6087 57.5052 52.6065 23.5625 25.7070 32.2908 32.9667 65.9727 80.7469 135.8776 76.0513 16.9986 37.6817 30.2864 34.3459 108.2051 56.8534 44.2306 34.5367 13.3968 46.3680 47.6884 57.0803 32.6054 65.4849 26.7059 26.6972 25.6176 21.7825 20.8853 23.1750 169.7747 50.9013 19.5560 20.9844 32.8531 27.4253 38.5017 19.6807 Sedoheptulose 7-phosphate 10.0029 6.8765 10.0571 11.5008 10.1251 12.4385 11.9522 12.1316 18.6710 23.2105 17.2669 19.0192 50.2269 39.2055 54.9103 42.7148 29.2227 30.2998 26.2009 31.4115 35.2829 60.7937 57.7928 43.8864 41.8083 36.6781 40.2102 32.9891 17.8491 67.3873 71.0993 72.5752 12.0560 8.0721 13.9670 13.3190 30.6092 24.2563 24.2191 25.7984 21.3470 13.3235 9.6807 9.6714 34.8898 27.9529 26.2572 24.9095 Sucrose 62.8114 42.6430 52.7896 47.5433 52.6070 57.9512 72.0820 73.2232 527.9358 566.0865 519.9814 510.1476 838.6126 746.5676 872.8780 680.4971 837.8689 694.7565 672.9883 892.1928 673.2179 1304.6548 1055.4521 732.2673 1238.9471 1088.6365 1188.1158 1078.2214 426.7970 1488.5225 1481.3223 1499.7991 54.7379 57.0739 67.2114 76.8442 175.4532 122.5700 117.5808 142.2317 211.8350 226.9859 210.2997 213.8725 465.8449 348.1402 344.7708 312.8895 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name moverz_quant ri ri_type pubchem_id inchi_key kegg_id other_id other_id_type 2 or 3-phosphoglycerate_2PG/3PG 724 2PG/3PG UM_Target_ID Acetyl-CoA 444493 aCoA UM_Target_ID ADP 6022 ADP UM_Target_ID AMP 6083 AMP UM_Target_ID ATP 5957 ATP UM_Target_ID Citrate or Isocitrate 311 CIT/ICIT UM_Target_ID Erythrose 4-phosphate 122357 E4P UM_Target_ID flavin adenine dinucleotide 46906035 FAD UM_Target_ID Fructose 1,6-bisphosphate 21125049 FBP UM_Target_ID Glucose 6-phosphate or fructose-6-phosphate 5958 G6P/F6P UM_Target_ID Malate 525 MAL UM_Target_ID Nicotinamide Adenine Dinucleotide oxidized 15938971 NAD UM_Target_ID nicotinamide adenine dinucleotide phosphate oxidized 15938972 NADP UM_Target_ID nicotinamide adenine dinucleotide phosphate reduced 22833512 NADPH UM_Target_ID Nicotinamide Adenine Dinucleotide reduced 439153 NADH UM_Target_ID Phosphoenolpyruvate 1005 PEP UM_Target_ID Ribose-5-phosphate or xylulose 5-phosphate 77982 R5P/X5P UM_Target_ID Sedoheptulose 7-phosphate 165007 S7P UM_Target_ID Sucrose 5988 SUC UM_Target_ID METABOLITES_END #END