metabolite_name PCC 7002_Method 1_Rep1 PCC 7002_Method 1_Rep2 PCC 7002_Method 1_Rep3 PCC 7002_Method 1_Rep4 PCC 7002_Method 2A_Rep1 PCC 7002_Method 2A_Rep2 PCC 7002_Method 2A_Rep3 PCC 7002_Method 2B_0.4M NH4OH_Rep1 PCC 7002_Method 2B_0.4M NH4OH_Rep2 PCC 7002_Method 2B_0.4M NH4OH_Rep3 PCC 7002_Method 2B_0.4M NH4OH_Rep4 PCC 7942_Method 1_Rep1 PCC 7942_Method 1_Rep2 PCC 7942_Method 1_Rep3 PCC 7942_Method 2A_Rep1 PCC 7942_Method 2A_Rep2 PCC 7942_Method 2A_Rep3 PCC 7942_Method 2A_Rep4 PCC 7942_Method 2B_0.4M NH4OH_Rep1 PCC 7942_Method 2B_0.4M NH4OH_Rep2 PCC 7942_Method 2B_0.4M NH4OH_Rep3 PCC 7942_Method 2B_0.4M NH4OH_Rep4 PCC 11801_Method 1_Rep1 PCC 11801_Method 1_Rep2 PCC 11801_Method 1_Rep3 PCC 11801_Method 1_Rep4 PCC 11801_Method 1_Rep5 PCC 11801_Method 1_Rep6 PCC 11801_Method 2A_Rep1 PCC 11801_Method 2A_Rep2 PCC 11801_Method 2A_Rep3 PCC 11801_Method 2A_Rep4 PCC 11801_Method 2A_Rep5 PCC 11801_Method 2A_Rep6 PCC 11801_Method 2B-0.2M NH4OH_Rep1 PCC 11801_Method 2B-0.2M NH4OH_Rep2 PCC 11801_Method 2B-0.2M NH4OH_Rep3 PCC 11801_Method 2B-0.2M NH4OH_Rep4 PCC 11801_Method 2B-0.2M NH4OH_Rep5 PCC 11801_Method 2B-0.2M NH4OH_Rep6 Lactate 1852.9359 1402.4217 1648.5385 899.8988 1375.1727 792.0333 792.8255 1258.476 1301.5295 892.8924 858.8369 865.0828 893.6553 919.8789 1005.3058 1791.6433 1888.1907 1675.5431 1713.6814 1563.2564 1592.7803 Proglutamic Acid 534.5225 1093.8752 373.2025 348.0604 971.2025 1008.7229 117.5174 1295.8125 1291.3516 438.8461 653.476 675.0187 713.38 1179.1403 843.8781 681.9004 813.329 715.1182 Malate 13810.0856 13270.3789 13308.8749 14280.9022 15786.2019 13366.3427 13057.5638 12590.7215 11738.5977 13260.6195 12619.877 90.3848 202.1407 323.1465 337.4176 223.5786 232.9166 300.3222 1338.547 1399.5292 1789.7308 2175.8477 2381.9141 1412.2336 1445.9477 1331.5346 1353.2254 1372.5855 1341.7374 Glutamate 1841.0787 1768.5991 1899.9246 1785.2176 2615.2457 1984.8242 1526.1567 564.2993 491.6767 490.4675 856.9978 2283.5649 2602.931 2583.6524 1989.7402 1220.2165 1326.8634 1015.7544 992.2812 1370.9715 1144.985 1312.5851 7772.6607 8886.6645 8650.4606 8393.6557 7905.4443 8569.6907 7352.6305 6716.5347 5891.3158 6947.9782 5970.4355 6521.3281 1256.0562 1178.2826 932.3367 1163.9653 1436.4635 1504.3912 2-Aminooctanoic Acid 1388.2481 902.9959 881.4905 1137.6182 4250.6546 3514.9093 3543.0336 3298.1129 208.9155 173.9599 165.7681 164.4503 170.5531 193.6407 1591.6685 1551.7646 1776.7901 1715.146 1801.3004 1775.5945 PEP 365.5073 838.9039 797.9243 1383.4655 845.6937 870.3876 1191.6526 1147.8946 1120.6395 1249.9566 1278.6251 1215.4118 Acotinic Acid 3973.2494 3876.1211 5281.1616 5872.8725 4493.045 4278.9106 4555.1215 5697.2506 5122.4716 7744.928 5061.1407 2795.0297 5031.6024 3884.8511 4430.0055 2609.8514 3908.0486 5602.4028 6932.8939 3355.2238 2631.9002 2640.1845 2886.0502 3825.596 3104.3229 3133.7514 7478.8287 3094.4343 7210.5717 7479.8701 3048.5527 2-isopropylmalate 793.812 898.2411 896.6863 3927.8369 3178.3971 3046.1098 2663.9726 1838.2289 2723.2486 2282.7742 2923.6014 976.6568 1954.6308 1855.4243 1785.7267 1073.7424 1125.0534 3919.7854 10260.5234 10351.0295 10866.6944 7822.2225 7703.7974 6352.4547 6503.8489 6247.6673 6385.6981 6329.4554 6398.0766 3PGA 320.2157 371.2104 389.1051 1790.3506 1859.8309 1993.0643 1867.1333 105.3924 303.5201 185.621 2168.6622 1563.1014 1440.997 1532.4445 3701.9663 5123.28 6785.0539 8281.3679 959.3375 2404.8578 2063.0433 1919.8444 988.5938 1167.598 6068.577 6886.5045 7071.7476 7202.7752 4775.9084 7052.2095 16552.8175 16936.3785 16350.2225 17417.5619 16764.8572 17033.5998 N-Acetyl L-Glutamic acid 437.044 1135.3679 1174.1657 1686.9639 1206.0085 1231.7085 945.3156 899.7669 870.8287 915.8359 969.1187 928.68 Citrate 58083.9111 44167.5938 56280.8893 43577.7243 54650.1188 47817.3996 51093.0734 61117.6263 61615.0418 60344.5789 59025.6796 2199.4261 7612.0083 7258.0289 30402.7184 31368.185 26641.0767 28554.3655 27022.4997 25156.7386 36502.4785 37254.0779 4572.5155 7795.8282 7483.4085 7608.8721 6106.4825 6733.0424 25736.8699 31383.6506 31259.0603 34692.2352 34404.3022 32205.4855 37067.2821 37138.6571 36152.834 34499.378 36964.2052 35375.5464 Dodecanoic Acid 1464.9132 1216.3147 1552.7392 1360.6283 1769.0913 1576.4426 1861.9581 1980.8942 1657.2332 1884.8712 2284.7942 4179.7695 4390.1475 4612.6833 1165.7515 1051.7497 844.1829 665.451 1748.786 2396.5983 2266.6051 2866.1706 7060.9603 6842.3955 7375.5646 6870.1801 7055.3275 6904.1892 5343.6812 5267.8698 6740.8543 6412.9757 6663.735 6865.2811 4536.0654 Myristic Acid 3956.5983 3650.2004 4480.279 3930.4141 7868.0178 4650.2278 5509.9062 21883.1353 20857.7104 23334.2696 22217.001 4655.2171 5847.6661 5435.5318 2616.6209 1844.4971 1733.5117 1513.2325 36590.3581 51595.1368 41257.8187 43466.1786 18940.8 18211.9287 17051.5884 17253.3669 15762.0101 16909.1089 1142.2542 4678.6721 4417.8409 5799.188 3493.028 3414.3372 48209.2802 46265.5771 47620.1809 52115.201 51820.9187 51633.3439 Dihydrobiopterin 836.6988 732.8837 609.0646 694.9636 1727.0757 1836.0458 1711.2962 1508.573 1010.2553 1039.5401 1000.9352 995.2942 1016.9548 1034.4297 2478.9421 2622.6701 2652.9435 2864.5535 3175.4598 2848.1206 3541.4078 3492.3659 3522.3075 3300.4378 3398.0295 3310.8069 L-Cystine 478.0588 757.2786 795.9883 1609.5304 1070.5262 1103.6486 1495.3296 1590.5355 1773.7406 1296.3847 1398.4584 1506.3696 Pentadecanoic Acid 1171.2162 1314.2403 1356.839 836.6988 732.8837 609.0646 694.9636 1727.0757 1836.0458 1711.2962 1508.573 4688.7537 5070.7115 3177.8242 3225.6821 3073.304 3201.423 622.4318 1374.6069 1325.8749 1007.2709 1012.0517 1006.9358 2542.5125 2502.6765 2565.2328 3646.4357 3697.8414 3674.7589 2-Deoxyglucose-1 Phosphate 832.324 1774.9939 1773.7162 1755.6467 1442.6661 1457.0683 21.7041 5726.1407 5878.1456 2038.5277 7755.6454 7187.6 4910.1821 4656.445 4716.5253 4947.6427 4823.1058 4768.8501 G6P 4248.1866 4431.1842 5058.7633 2919.2038 1736.049 3776.5424 2470.1924 4390.0998 715.2464 2235.8736 2214.6116 2489.9573 801.6748 914.9524 1316.606522 4207.498972 4389.421488 4198.036232 5284.412669 3894.862332 3320.919273 4936.271551 3115.033539 3073.776296 4529.55867 3123.452815 Glu-Leu 6033.3092 7173.6269 6606.0873 10889.3469 9246.313 8993.5623 8284.0117 4577.0958 6073.5983 5279.1621 6679.9646 417.1481 1066.6028 1001.8592 980.5308 766.8778 796.1372 1839.576542 4782.843374 4785.365088 6348.93717 4770.704299 4547.554472 4407.588312 4342.549552 4227.270327 4391.05434 4263.830701 4566.7761 Linoleic Acid 2687.2001 2604.7788 2510.0237 705.8144 572.5587 510.231 508.4653 750.0134 902.0949 1364.0209 1361.2865 16982.7652 18495.6331 8791.292 8221.7836 6833.2986 7039.306 906.0126975 2944.750044 3154.416691 2372.387367 1581.38467 1535.937334 3454.708374 3405.455263 3487.456147 4688.48197 4589.002063 4453.388486 S7P 3818.8963 2587.2537 2837.2849 2589.7679 1895.9874 2837.4391 2838.0611 3478.3024 544.0773 1349.2423 597.5826 816.5669 369.8569 566.263 1044.071909 3595.17745 3710.653142 2826.505609 2976.656075 3141.508521 3130.797265 3098.067646 2902.683423 2934.51164 2876.933543 2883.62628 RuBP 64.6093 63.6233 67.9472 3562.6049 3130.8348 2927.8584 5057.4582 71.6458 64.7411 43.4472 65.4475 1786.6268 2456.3794 4486.5908 4957.4037 28.99243976 63.62902431 68.96045746 260.6080705 167.5218027 148.6217359 9973.421783 10066.73649 9717.688659 9504.119982 9556.376939 9509.42534 UMP 1875.8846 2171.3813 2668.7583 2690.1756 2910.5902 2458.9736 2693.3606 1567.5052 1445.4417 1425.0952 1897.7345 502.1736 770.8997 908.9794 9313.9063 7711.1707 7188.3578 6293.5638 3632.3857 5468.5692 5624.8462 7093.1444 965.0234 2065.66 2324.9125 2278.2683 1408.0165 1465.5384 3835.056996 11488.64784 11579.0325 19175.45537 11671.45483 11915.391 11228.92637 11559.60617 10499.24863 12507.70218 12181.58485 12682.60965 Trp-Glu 1363.5491 1529.9263 1444.3795 17250.3994 15399.0744 14476.8327 12968.1484 6769.5472 9271.6371 8346.7297 9402.4816 484.4258062 1842.266026 1854.170065 2641.93416 1574.389497 1571.03655 1046.201919 1047.832279 980.8997765 1074.529109 1112.322017 993.316054 Sucrose 5985.6794 5789.1071 6461.1559 6386.1592 5405.9634 4996.4537 4939.0698 2530.781 1760.7629 1697.7384 4285.9617 1698.4561 1711.1039 1497.8605 3656.1898 2688.6655 3299.7586 2249.4843 1849.1545 2071.163 2177.9257 2406.9703 1606.046 2024.6665 1552.7058 1510.2944 1680.7277 1653.573 1070.045835 939.3499223 912.6190995 1103.654658 1088.214286 1356.553758 990.6662653 888.2996835 876.9164079 963.7339986 931.5472077 1012.169351 IMP 487.6419115 1473.413856 1478.730598 1775.156695 1148.913507 1163.538755 1262.083076 1287.358012 1271.457073 1211.233651 1168.35926 1235.812285 Lithocholic Acid 16442.8748 13054.2386 13559.8449 3704.3464 5530.2801 3059.9653 3734.6062 8227.8421 16039.5589 14821.8949 4655.5658 16347.0117 10406.7253 6368.573 19127.0623 14934.1529 10752.0159 7140.9646 10753.3396 11068.0519 6336.0079 2831.4077 3962.6068 2219.1664 2712.9413 16267.21684 47876.00108 18980.68968 50236.68769 45338.41248 42754.02765 7531.335617 39323.12255 62487.13775 38487.42808 16712.89224 37213.61903 Cholic Acid 40945.1087 10909.103 41505.5431 28466.0087 32089.7772 29417.8718 12599.1018 10608.4683 57164.9452 48576.4709 9388.125 5571.9168 6810.6594 1823.5911 19748.1821 23600.125 3576.119 25663.0232 12285.4804 27556.3565 28300.8471 6921.4322 14173.4974 5934.776 7977.6641 4861.1595 7397.3474 2736.5104 15514.3339 75706.99691 74884.34134 74375.24137 68099.41697 59391.81912 63456.23844 69729.74303 59712.34043 60026.08629 57585.18605 56229.3526 ADP 809.8591 880.9605 1412.8212 1160.5643 1080.4301 1092.0254 1332.2397 4889.9279 5031.3521 4847.0584 5692.9178 121.0012 307.6512 227.6701 3463.7312 2836.1686 2463.0065 2510.4702 3217.5095 4533.0984 5355.9511 6280.5009 725.9366 1822.4084 1663.9276 1747.1391 591.3608 595.9129 1858.286931 5503.463824 5424.504111 6122.520107 4341.43095 4202.690961 15512.01333 15705.98611 15049.08068 15024.85497 15122.76883 14747.96783 ATP 2178.8548 2446.0072 3110.241 2795.7697 2734.9892 1788.9199 2195.1922 15723.5567 16151.1661 15339.2014 18250.9343 2141.5632 1361.9431 1233.7231 1409.9498 4124.077 6008.8204 9917.3469 11119.1829 1512.7117 3640.5616 2844.4262 3188.2614 2197.1205 2129.2387 1360.796324 8228.013484 8194.1508 12115.57262 7581.161821 6950.365023 41344.08436 42015.2414 40816.92309 38272.4313 37356.24127 37417.75305 UDP-Xylose 642.3448 1633.3715 1310.8844 1374.6068 738.2106 823.7611 1120.826798 3252.326252 3132.789529 5124.064026 3803.772646 3647.381845 4162.46992 4022.573625 4040.546123 4463.60095 4265.517653 4360.056136 UDP-glucose 1421.2341 1463.2676 1907.3012 1990.667 972.7341 1057.5062 1194.8355 4442.2649 5017.5144 5744.4576 16716.5487 13699.0653 13465.0618 12339.4759 6924.9596 10459.5623 8371.0167 10159.4363 3402.2102 8060.4163 6973.8237 6859.6166 3982.4482 4089.5319 3746.445945 11735.56324 11601.39147 22155.06299 14608.41976 14332.43303 15174.02015 15237.48795 14737.11384 17212.43999 16743.64316 16908.85439 ADP-glucose 1615.2188 1446.7818 1609.1903 1692.9046 2225.6528 1957.9658 1839.8213 1964.0066 1734.6988 1775.5039 1396.2049 819.2534 1305.2048 1190.4337 1504.8825 355.1746 836.5621 723.0636 728.9379 438.0509 420.239 1101.020243 4090.74352 3904.344303 5921.130367 3376.368504 3520.272102 4246.225897 4208.432101 4037.807774 4032.593569 4061.691482 3911.161713 GDP-gulose/GDP-galactose/GDP-Mannose 572.3335465 1461.553455 1529.659946 1275.983633 1065.901789 987.1949622 1223.644403 1173.947087 1127.339426 1152.440903 1119.14947 1136.206652 UDP-N-Acetyl-D-galactosamine 1258.3325 1266.7963 1363.3744 6924.3633 5551.2932 5393.8031 5202.6805 2955.063 4247.3153 3482.9108 4183.108 1711.893 3971.1277 4301.1898 4128.3872 2788.1381 2949.8554 3153.641911 9519.42917 9600.617987 12398.19162 8403.491655 8381.482447 8076.052414 8189.183377 8000.772697 8942.35425 8648.336214 8858.183177 ADP-Ribose 2 Phosphate 94.45795276 447.0061566 473.1127914 605.4594936 353.0156377 374.2985561 1046.517455 1016.19033 1055.72138 1161.454905 1095.815344 1093.343541 UDP-N-acetylmuramoyl-L-alanine 2547.3353 2864.8475 3124.8234 2960.8645 2615.6955 2262.2969 2707.0251 2961.3845 3048.1022 3053.1638 2852.6537 3874.4696 3401.5137 3126.0939 2824.5846 1539.0403 2266.9285 2234.7737 2485.8267 2057.947453 5752.840563 5664.776851 8403.343999 5759.86164 5691.579091 4966.445736 4655.551408 4611.810968 5015.087069 4861.918467 4838.420085 Acetyl-CoA 1642.6634 1335.3678 485.4115 610.0535 227.1294 234.8791 250.2261 377.9309 1052.8537 880.6538 843.6042 361.8479 393.3998 285.9985664 827.1403185 777.4126605 1988.810138 1024.327433 983.0945246 268.6061851 285.4674107 262.8037581 282.6560547 270.8323789 259.149667 metabolite_name quantified m/z rtimes PubChem ID KEGG ID Lactate 89.02 7.5 C00186 Proglutamic Acid 128.03 4.4 C01879 Malate 133.05 9.6 C00149 Glutamate 146.04 6.2 C00025 2-Aminooctanoic Acid 158.12 16.8 C01933 PEP 166.97 14.6 C00074 Acotinic Acid 173.01 14.7 C00417 2-isopropylmalate 175.03 11.4 C02504 3PGA 184.98 14.1 C00197 N-Acetyl L-Glutamic acid 188.05 11.7 C00624 Citrate 191.02 14.8 C00158 Dodecanoic Acid 199.17 17.8 C02679 Myristic Acid 227.21 18.3 C06424 Dihydrobiopterin 238.1 16.5 C00268 L-Cystine 239.06 17.3 C00491 Pentadecanoic Acid 241.21 18.6 13849 2-Deoxyglucose-1 Phosphate 245.04 6.7 C06369 G6P 259.02 9.6 C00668 Glu-Leu 259.12 11.9 151023 Linoleic Acid 279.23 18.7 5280450 C01595 S7P 289.03 10 C05382 RuBP 308.98 14.9 C01182 UMP 323.03 11.3 C00105 Trp-Glu 332.12 14 6992140 Sucrose 341.11 1.7 C00089 IMP 347.06 11.5 C00130 Lithocholic Acid 375.29 19.7 9903 Cholic Acid 407.27 19.4 221493 ADP 426.02 14.6 C00008 ATP 505.99 15 C00002 UDP-Xylose 535.04 11.7 C00190 UDP-glucose 565.05 12.2 C00029 ADP-glucose 588.08 13.4 C00498 GDP-gulose/GDP-galactose/GDP-Mannose 604.07 11.8 C00394 UDP-N-Acetyl-D-galactosamine 606.07 12.2 C00203 ADP-Ribose 2 Phosphate 638.02 15.1 439957 UDP-N-acetylmuramoyl-L-alanine 749.13 14.8 5496796 Acetyl-CoA 808.09 15.5 444493