Metabolite name Isotopologue Moverz Quant PCC 7002 0 SEC REP 1 PCC 7002 0 SEC REP 2 PCC 7002 60 SEC REP 1 PCC 7002 60 SEC REP 2 PCC 7002 120 SEC REP 1 PCC 7002 120 SEC REP 2 PCC 7002 180 SEC REP 1 PCC 7002 180 SEC REP 2 PCC 7002 240 SEC REP 1 PCC 7002 240 SEC REP 2 3-phosphoglyceric acid M+0 184.98 1825000 1809914.748 397000 397864.7562 189600 189758.9978 146500 146531.1831 143800 144545.2416 M+1 185.98 91130 93977.19482 1511000 1518319.518 900800 902355.8086 532200 532077.4359 480500 493522.1773 M+2 186.98 276600 110246.9449 968800 969241.6843 1011000 1011316.821 1046000 1047838.119 1147000 1148020.601 M+3 187.98 17650 7741.251946 828600 828472.5493 1766000 1767494.394 2021000 2021439.3 2453000 2453701.274 Acetyl coenzyme A M+0 808.11 216300 187144.5723 103000 95456.91977 37110 31014.91095 20430 20311.98449 12440 17766.67371 M+1 809.11 63610 53861.57511 54140 52437.16517 28990 20747.04447 19980 14116.4265 18880 17417.02152 M+2 810.11 24690 20709.69671 51460 38414.40476 53370 48017.93217 50570 43213.48224 60620 60799.50072 M+3 811.11 5661 5744.241893 14200 12182.23104 17880 11578.97912 16650 13892.69679 19170 18466.26888 M+4 812.11 4465 2001.269421 7931 7754.2784 10790 6901.207311 12490 8302.784887 8599 8902.56264 M+5 813.11 461.5 1115.709408 1879 1859.426363 2870 2705.344997 2987 530.7994621 1439 2284.916157 M+6 814.11 1233 625.2411396 256.2 1860.509564 330.9 1185.989106 1177 1203.300734 739.9 239.3904431 M+7 815.11 424.8 26.88427396 1274 303.4796951 194.4 70.86427257 713.3 110.3635919 595.2 387.9803179 M+8 816.11 185.6 594.5131154 524 1071.248372 185.1 123.4187657 68.72 366.3269141 534.2 209.0482297 M+9 817.11 45.14 167.2865257 513 792.5546365 613.5 327.2154553 181 1102.356382 1130 1536.397391 M+10 818.11 112.6 699.6744098 222.5 936.6632395 542.8 499.3755551 538.4 253.8860259 209.1 726.8728103 M+11 819.11 212.1 175.0154585 1695 367.5516418 459.9 135.3759652 1077 193.6460543 152.5 1346.883217 M+12 820.11 211.7 565.5260262 1228 115.935289 1002 131.2332989 1254 237.2568407 1150 247.2097408 M+13 821.11 839.3 288.824949 488.1 132.1148519 257.2 380.7847452 189.8 329.7247018 354.2 163.015224 M+14 822.11 224.5 495.1476317 786.5 121.8874087 1327 739.3478639 531 1376.580239 628.6 228.9341628 M+15 823.11 256.7 272.2233776 564.7 491.7588698 836.9 1905.654347 130.2 212.6737812 319.2 650.2506718 M+16 824.11 509.6 428.9735707 44.06 637.0469119 465.6 524.9200105 35.49 86.88517671 618 38.13703713 M+17 825.11 159.5 190.0603644 1365 821.2526924 742.1 723.1897638 53.22 1268.067677 1721 759.3068791 M+18 826.11 445.9 606.7461862 132.1 363.7779255 49.98 236.9023739 86.83 144.2571445 2235 153.1914063 M+19 827.11 737.4 380.140531 164.2 185.6790547 256.5 252.1396725 822.6 88.09332222 95.58 449.7324176 M+20 828.11 114.5 398.5170649 478.1 145.2210533 250.6 271.4352926 442 373.3359689 447.4 135.3710703 M+21 829.11 196.6 441.082 256.1 260.775 33.42 438.1725 410.9 230.991 51.55 463.4345 M+22 830.11 6819 8383.581106 4500 5230.898374 2250 2327.143185 487.3 597.2231067 817.9 875.9584772 M+23 831.11 3116 1128.003008 1997 1675.065639 2300 269.7124739 1103 744.6828912 1469 78.44560656 ADP-Glucose M+0 588.07 236363.7529 231200 36776.77178 39160 3497.701153 15740 11782.81148 12170 8055.256363 12020 M+1 589.07 48922.46891 49240 25775.75828 23790 7631.764626 4920 6128.000815 5080 6847.013455 6363 M+2 590.07 13355.14766 13420 43730.65719 42540 11842.14053 11220 7373.804978 6677 7250.848239 10090 M+3 591.07 1677.525161 1400 36168.55406 32010 14297.61881 14290 11577.55065 5976 8927.61923 8071 M+4 592.07 656.6699876 756.1 30531.71588 31950 22002.51965 17460 8541.051272 13380 6613.451405 18450 M+5 593.07 448.9667251 122.9 9988.508682 15030 14612.08601 12730 13675.07726 14870 15498.57982 16330 M+6 594.07 942.4847849 2776 6031.089796 4646 15768.36381 12850 17577.02144 17990 21028.63006 22220 M+7 595.07 1558.04319 360 2308.751559 1693 213.7655866 3759 6418.455513 5006 5240.830494 5200 M+8 596.07 1819.795655 3781 2401.435837 155.6 2548.155873 4483 1900.565465 5090 2419.811941 5421 M+9 597.07 579.374406 1003 223.7617759 406 647.9215967 214.1 2804.010402 1630 1564.279832 1024 M+10 598.07 154.6913639 268.3 1242.523223 206.8 243.1965662 1764 871.4695294 39.09 114.412598 2791 M+11 599.07 731.7586908 347.5 409.1432225 338 706.0710163 609.8 1560.449879 676.6 101.0131516 361 M+12 600.07 224.9724559 310.5 200.4990669 134.2 1242.683169 212.9 519.6992499 908.7 2033.03177 1964 M+13 601.07 101.2967805 233.6 454.7063868 313.8 172.6902135 194.9 266.286245 125.7 1445.273397 380 M+14 602.07 43.96750854 697.1 426.8537139 218.1 203.5909535 49.83 113.3007893 464.4 486.7139313 389 M+15 603.07 67.46044839 229.3 458.3931662 317.7 523.6203592 536.2 509.0875168 205.2 43.51787721 597.3 M+16 604.07 3479.661672 910.1 698.5024427 982.3 786.7392657 331.9 351.6114428 354.6 1238.352283 1626 ADP M+0 426.02 1052000 615952.645 2283000 1291472.518 1585000 1436972.627 2090000 1344884.102 1908000 1447495.999 M+1 427.02 148300 110274.788 337600 210495.0864 266500 217102.1237 331500 220452.255 322600 272888.2176 M+2 428.02 26530 10810.7904 79810 29420.94696 40770 37214.5479 72250 43236.37454 69100 64236.74301 M+3 429.02 1965 4247.599312 14810 4299.619714 11330 10962.60979 23140 14657.84555 28600 4191.491996 M+4 430.02 1422 1223.083867 237.4 172.5947934 1452 3554.303715 15920 164.6540798 17810 13311.77287 M+5 431.02 436 325.407623 2317 368.679923 7308 7161.928776 19460 2745.699858 19140 171.596811 M+6 432.02 1517 227.2147317 752.1 145.3165422 1534 4415.562746 10600 5769.881997 19230 9886.068169 M+7 433.02 797.4 1264.990434 455.2 450.4252494 1259 971.951325 10840 2043.277562 19690 15417.27465 M+8 434.02 862.6 1314.604675 361.5 1680.496204 342.7 1297.78048 4710 2781.796517 11670 10909.92183 M+9 435.02 829 437.6476455 1306 6632.553156 410.5 2337.25519 3784 1559.733789 3951 135.6090714 M+10 436.02 1217 4836.628653 350.6 4497.02649 1372 949.1262147 3028 116.4945424 3194 2994.235539 Aspartic acid M+0 132.03 166843.8049 169799.7716 46379.87345 46394.01629 29962.95559 30920.09425 21953.58061 25995.42161 27922.77487 25512.83817 M+1 133.03 5965.945529 6756.765937 25105.96217 25688.20939 12492.59373 12104.03469 10998.4795 9814.102334 23188.9781 15126.23723 M+2 134.03 1604.709556 1798.277809 61105.91962 61859.04881 51965.72033 52916.67145 25856.76124 26372.53338 22055.77163 23845.62646 M+3 135.03 83.61139231 674.1716 29133.18829 31193.79435 53477.59456 44538.76507 44806.56307 56295.64848 53523.47626 64961.83317 M+4 136.03 517.3600831 182.5895742 15715.00384 24513.71183 68913.70343 59798.41283 65073.67716 63948.88899 83874.09275 75745.85714 ATP M+0 505.98 5865000 2619389.732 6068000 2597088.33 4210000 4017615.333 4567000 2500348.74 3580000 2521826.67 M+1 506.98 799900 321974.9166 833900 364324.3257 682100 592477.6712 736100 389661.0043 581300 411119.9155 M+2 507.98 181600 84065.42889 216800 97202.93577 181600 160081.4627 206100 117795.1852 171700 121866.5165 M+3 508.98 22920 11763.11933 33800 10037.15687 43080 38416.40378 56270 26342.88056 58610 36532.45759 M+4 509.98 7391 6580.973628 9399 8797.264752 18710 19247.60941 40120 22625.19 50460 34321.00449 M+5 510.98 3108 1253.532252 1623 1380.429584 8186 14129.06267 37190 23208.89308 51240 38132.03668 M+6 511.98 5499 6177.634814 6932 5266.42026 11620 10945.25985 31110 20407.71117 43860 40183.87764 M+7 512.98 2301 4084.81901 8986 4147.224318 7498 8120.32299 25040 12589.24409 53030 27760.58594 M+8 513.98 9208 7576.241838 9844 4648.349407 10370 5684.914353 18390 11147.94566 39570 24173.75469 M+9 514.98 15270 15199.27293 13110 11073.34336 9185 9044.249306 14020 7693.850521 24030 15237.88653 M+10 515.98 15660 8929.274872 10380 8693.332363 7123 4500.264837 7622 5284.54003 9685 7661.221229 Citric acid M+0 191.02 16280000 27137352.32 22060000 28545016.49 21300000 29048720.45 20530000 28784886.33 32090000 32332715.78 M+1 192.02 1245000 2171843.915 1912000 2450475.571 1761000 2305897.628 1651000 2149983.464 2141000 2610895.634 M+2 193.02 48640 561238.6298 404500 1235788.378 536200 976653.0209 478800 807461.3592 601300 908997.2811 M+3 194.02 54740 35036.96104 56920 41408.24233 69100 1058.114193 89160 491.2336249 52170 997.6179343 M+4 195.02 10360 6806.95577 132000 1031.26732 998 1033.415729 1682 7182.320594 1811 2432.452192 M+5 196.02 1035 3623.308051 6266 9016.808956 5972 1062.109076 1365 675.7323435 2307 86511.21486 M+6 197.02 2302 3926.138272 957 1806.544258 1872 1912.619383 18880 1070.932409 138800 137342.2729 Glucose 6 phosphate M+0 259.02 372300 280300 101200 98670 53930 74170 64950 28140 912.3 27410 M+1 260.02 36290 29040 81610 68500 61110 43140 2444 28250 30450 39680 M+2 261.02 8083 7090 143000 130200 41530 73060 28010 29190 28010 25540 M+3 262.02 1425 1601 113000 91470 52280 75250 26800 1050 26800 277.7 M+4 263.02 174.7 769.1 101300 94420 104700 134300 117000 100500 137600 86300 M+5 264.02 599.6 189.9 35570 39810 104300 96820 703.8 106200 189400 106200 M+6 265.02 1603 247.1 16710 13740 16710 83030 181000 143700 143600 147700 Glutamic acid M+0 146.04 6454000 6120000 5328000 5517000 5847000 5393000 4624000 4460000 5029000 4782000 M+1 147.04 424900 424400 370400 379800 388900 447800 353300 383200 379900 397900 M+2 148.04 74400 69510 82680 68970 122600 111500 112400 99060 123600 129300 M+3 149.04 4103 7714 18310 23810 77100 55310 90970 88320 141800 145200 M+4 150.04 873.9 2307 6587 6871 28800 28510 46580 51820 88010 91070 M+5 151.04 530.4 1433 741.4 3180 31750 13330 57700 51040 130300 100000 Leucine M+0 130.08 187332.3245 190645.4362 194909.8116 184260.5519 138918.3898 143141.446 112073.1538 120720.6836 127840.8323 119246.7778 M+1 131.08 11316.42175 10495.34688 29786.677 31997.07064 19810.62744 18974.30733 9606.496941 10225.54807 11563.15259 8774.345704 M+2 132.08 201.5267418 778.1009728 21970.79465 21209.587 25220.28806 25553.11749 12824.231 12076.16766 9712.316905 11104.63604 M+3 133.08 0 0 7181.291561 2950.868872 8145.697641 15690.06501 10204.99365 11173.35411 9553.076643 8022.385695 M+4 134.08 246.1287095 337.2637023 2247.537579 3195.074189 23264.92051 22257.97862 23670.51175 20839.4645 20001.48337 21734.72737 M+5 135.08 635.1524129 0 0 0 7695.956484 7014.704982 8805.214487 10405.82988 19498.71899 24234.26132 M+6 136.08 0 293.9815954 0 0 4812.442441 3721.850117 12815.43465 11949.08302 24837.40897 12255.82927 Malate M+0 133.01 715771.8932 738800 432258.8547 439300 260719.5945 234500 146536.8448 153700 142233.436 158300 M+1 134.01 37145.83085 37640 56959.01846 56920 42688.01287 39600 26247.56964 30030 22875.45662 31000 M+2 135.01 9032.495819 10230 49891.76567 46830 67647.04899 59260 49903.59976 53150 65313.75516 68630 M+3 136.01 5148.162312 4171.170158 11233.65711 15518.02689 33981.27605 33511.81098 42874.32678 47615.82939 78959.1991 77727.86392 M+4 137.01 3833.227043 4597 7115.539121 12000 30176.28005 33080 68994.79302 84910 118943.6111 168700 nicotinamide adenine dinucleotide M+0 663.1 211900 197184.9309 224800 212751.8614 219600 200295.1679 174000 170269.6746 232700 232441.5314 M+1 664.1 46480 47930.74916 51990 53355.95464 53300 48828.36364 40280 45963.2606 53520 56934.8874 M+2 665.1 10300 7049.739439 8986 7898.57668 8967 9988.551217 6602 8561.930628 10120 11076.32025 M+3 666.1 1365 1916.629595 1810 1678.459132 1659 2574.237039 2136 1518.915586 2346 5008.829358 M+4 667.1 1658 1241.416108 910.5 163.9141523 1023 192.5612338 1084 1709.014817 1510 1497.780243 M+5 668.1 2181 837.4685839 1916 1050.938761 832.2 3437.380041 1019 1384.635553 2894 2298.136777 M+6 669.1 125.9 1149.636354 230.4 1136.413065 1369 23.48673259 397.6 1176.370642 2610 1905.163913 M+7 670.1 831.4 908.104367 876.8 253.7703341 1540 957.401592 204.6 2466.820742 2951 1314.951247 M+8 671.1 407.6 883.1545739 47.72 123.3369629 132.6 575.1291377 279.6 545.702895 797.6 1983.294927 M+9 672.1 1303 57.71012992 1042 1211.220985 945.2 909.8674792 592.7 1025.953397 1664 558.4546857 M+10 673.1 164 734.9111482 40.42 1164.965567 721.2 897.3048418 1412 1027.701871 1343 2098.851803 M+11 674.1 748.6 523.4391656 240.1 1105.500803 1295 307.1836953 645 417.6379351 416.6 408.9282453 M+12 675.1 185.3 770.8688667 32.92 81.12682659 644.5 635.5777342 60.96 494.7972052 334.6 518.7754832 M+13 676.1 1254 484.8947666 711.1 216.7919621 1177 792.3950571 503.5 697.5720299 1225 23.25580013 M+14 677.1 123.6 711.8984079 202.5 349.7941992 47.48 110.1206535 339.5 955.5436815 470.3 926.5922211 M+15 678.1 627.8 233.3457592 800.6 784.7060712 91.16 23.42630291 76.77 464.7847235 262.5 125.2413562 M+16 679.1 273.8 89.40348708 253.5 281.0371071 773.7 239.0814919 618.4 509.7575576 348.4 153.3864135 M+17 680.1 646.9 506.2613698 95.07 311.1141183 382.8 913.9767229 574.2 472.1435713 58.88 699.719727 M+18 681.1 1200 329.5794917 807.8 247.0413254 252.6 177.9433234 162.1 283.014968 847 511.7326746 M+19 682.1 873.5 708.0045974 442.9 180.0017917 372.4 585.6753073 30.35 485.3891975 942.4 360.8666125 M+20 683.1 981.8 122.4003431 244.2 287.7479808 141.7 457.6549117 61.44 196.3981553 123.1 642.4931693 M+21 684.1 20680 23610.23403 24900 25874.62703 26080 27324.83233 28050 26173.41483 40590 37872.96026 Sedoheptulose 7 phosphate M+0 289.03 561900 444300 95910 80200 67200 64530 48110 49620 59100 51200 M+1 290.03 64470 45140 116700 100200 48760 42340 32150 26670 36540 8219 M+2 291.03 29060 19330 205200 125300 78150 76250 44400 37450 44130 34980 M+3 292.03 14640 4983 308900 268900 186700 168600 113600 99320 108700 103500 M+4 293.03 1309 183 240300 68060 216200 224200 154600 98620 144800 113700 M+5 294.03 1667 2585 203700 170600 346900 335300 280900 252800 278800 253500 M+6 295.03 1123 1122 64660 24200 248600 238400 282400 261200 364100 274800 M+7 296.03 6729 627.2 31620 19050 240400 171400 384000 331600 470900 428700 Succinic acid M+0 117.01 789700 800000 493700 498700 349200 358300 349400 354000 349500 373700 M+1 118.01 41520 41880 29120 25640 26940 23220 30650 28840 34110 36140 M+2 119.01 13560 13110 10970 10880 15250 14550 38750 39430 46630 46560 M+3 120.01 999.7 843.7 2826 2392 3244 3125 6194 6276 5167 5778 M+4 121.01 7121 7207 3875 5165 17910 17870 5810 5734 10000 10160 Sucrose M+0 341.1 3470000 3497112.158 3144000 3251845.298 3246000 3278608.459 2884000 2906881.366 3229000 3258915.414 M+1 342.1 473900 495565.893 451100 519633.751 500200 484513.3959 401300 442035.5249 450900 480930.4862 M+2 343.1 101200 99877.15762 109900 101558.1649 116900 116244.3955 99860 93734.08013 99410 114547.4398 M+3 344.1 12360 12184.42494 18440 15447.67388 19860 20074.21246 14960 15769.66731 17320 22115.05637 M+4 345.1 1551 2313.907405 4501 3717.413217 9621 10216.21316 10450 10243.29826 13460 12265.73605 M+5 346.1 1093 398.7318619 1364 1441.13093 6861 5653.258362 6445 6729.627541 10530 10405.75518 M+6 347.1 1724 426.9634966 834.2 2312.100875 4217 6597.251029 7464 6650.586016 11410 11336.56204 M+7 348.1 276.2 994.9103433 1472 478.2793244 4836 4635.624622 4467 3250.673263 7947 9121.374615 M+8 349.1 1423 1536.256393 88.98 718.911384 1749 1107.711452 4784 3811.126148 8440 8232.594192 M+9 350.1 288.1 224.2379445 393.4 134.9599742 1147 678.7338961 3336 3955.718028 8448 6567.576928 M+10 351.1 128.6 1420.449452 1792 1590.43416 1143 2484.008114 3982 5553.899395 8093 10922.67067 M+11 352.1 346 319.025298 98.52 470.5152978 128.6 833.9869793 3192 1419.67637 3339 6831.437509 M+12 353.1 597.1 441.2341674 681.9 1014.382997 70.71 380.9876574 2575 578.4811019 2446 4800.129937 Tyrosine M+0 180.06 666178.3389 645388.2082 448455.8569 439872.226 310685.8726 310750.3772 217046.6913 218686.6716 229142.4485 217703.2177 M+1 181.06 69189.03025 66512.69791 65844.39508 64289.18153 44535.44768 40209.23701 27278.53873 28582.61152 28232.99383 23954.15635 M+2 182.06 1735.801015 4898.014399 27260.33928 27979.39726 13771.66337 17054.34762 6506.973263 5327.542695 3094.851331 4288.189586 M+3 183.06 208.1629308 0 26205.8179 30717.59683 30669.71118 27406.98444 13938.52531 15367.216 7195.863766 11804.40537 M+4 184.06 428.8052713 0 31152.85816 28264.42655 35180.40829 38245.31337 11623.06264 15390.14 7830.137122 17713.19305 M+5 185.06 0 0 19206.93808 20209.27166 49370.90888 44878.79308 19758.40636 30705.46057 27300.13367 29421.07825 M+6 186.06 0 0 8329.439046 9140.275792 39345.64129 37090.38997 38469.37545 35980.97655 44521.87412 42583.52497 M+7 187.06 0 0 3839.906986 158.5238407 42371.19317 40163.30426 52311.35604 47908.70615 67738.424 64267.5423 M+8 188.06 0 0 748.4056288 0 17416.30971 12921.12456 37348.11386 35594.58702 65589.39425 64694.42968 M+9 189.06 0 0 307.0746123 0 12152.22347 4729.818402 31293.70255 27223.76207 62657.48248 65820.03548 UDP-Glucose M+0 565.05 199027.6441 171900 62667.22165 61770 25495.70979 20050 12722.99954 12060 7464.802252 3018 M+1 566.05 35662.19905 28380 22749.89879 19600 11440.16528 12250 5886.874607 6530 1895.080475 3211 M+2 567.05 7558.876134 12970 18879.84481 16640 5984.732038 6571 10073.62817 5748 2839.463762 598 M+3 568.05 76842.2556 7081 57349.79291 13805 53044.51024 5153 87148.15656 7668 69284.81476 4931 M+4 569.05 1366.692221 1192 7237.628586 10970 5024.578205 3735 9838.569566 9588 8304.288034 9264 M+5 570.05 1361.053402 578.3 2744.103317 2735 4764.078511 7917 7745.612913 7581 5561.359351 8696 M+6 571.05 217.3308022 1702 344.0825476 284.2 4677.501589 5162 3464.400177 8787 10885.68937 9007 M+7 572.05 111.0453531 1133 97.11712633 105.6 50.45542302 804.6 2521.219155 269.7 1055.973515 572.1 M+8 573.05 92.04992032 80.66 88.9146294 101.5 208.9319871 102 624.4238077 91.78 865.0029133 85.25 M+9 574.05 778.9364087 298.3 271.3921301 529.7 134.7511583 117.1 95.04159806 373.9 191.6170712 136.5 M+10 575.05 335.2905478 130.4 1158.394597 77.48 107.6524362 133.1 352.1522432 83.67 860.1420448 46.22 Uridine monophosphate M+0 323.03 3068000 2565363.449 4767000 4423167.365 4537000 4324243.151 4025000 3851815.727 5162000 5089080.562 M+1 324.03 336200 299578.672 536200 495907.8294 532600 501390.6016 468400 472346.7195 610000 606128.0717 M+2 325.03 89400 75263.95364 152300 123276.808 147200 150654.2113 131600 141550.3699 186300 6464.579912 M+3 326.03 1276 14686.83448 1348 35666.88551 39380 36151.2913 41860 37336.99021 54350 62121.08642 M+4 327.03 2540 3422.042605 4680 24495.78809 46690 41404.58979 50780 45174.87062 67390 15706.56536 M+5 328.03 2834 984.6581204 7292 18210.30737 25470 24155.95687 35400 38467.09871 60010 66106.26426 M+6 329.03 15710 5341.726308 19870 2610.770174 29760 25549.1753 43630 3943.446476 68550 2630.210589 M+7 330.03 3432 10556.71851 2212 19672.92355 13050 3279.834859 32100 4141.959592 70150 73740.4107 M+8 331.03 7357 16719.97313 2210 16066.8227 8614 27037.52544 25550 46660.06633 66870 69149.66646 M+9 332.03 2180 6071.463691 2509 17280.29427 5585 3932.71426 16640 5858.242367 53510 55863.30529