Metabolite_name RefMet_name 170123blvsa02_1 170123blvsa06_1 170123blvsa09_1 170123blvsa12_1 170123blvsa14_1 170123blvsa15_1 170123blvsa01_1 170123blvsa03_1 170123blvsa05_1 170123blvsa10_1 170123blvsa11_1 170123blvsa16_1 170123blvsa04_1 170123blvsa07_1 170123blvsa08_1 170123blvsa13_1 170123blvsa17_1 170123blvsa18_1 Factors - Treatment*:KA pt mut Treatment*:KA pt mut Treatment*:KA pt mut Treatment*:KA pt mut Treatment*:KA pt mut Treatment*:KA pt mut Treatment*:wild type Treatment*:wild type Treatment*:wild type Treatment*:wild type Treatment*:wild type Treatment*:wild type Treatment*:yjeF KO Treatment*:yjeF KO Treatment*:yjeF KO Treatment*:yjeF KO Treatment*:yjeF KO Treatment*:yjeF KO 2_5-dihydroxypyrazine NIST 2,5-Dihydroxypyrazine 4026.7724 4591.4253 3685.7620 5635.3021 5641.2930 5934.0887 4553.5511 4161.7271 3650.7167 4936.6484 3687.5245 6738.0311 4171.8812 3497.9012 3615.0847 4064.5267 3733.9583 5048.6687 2_6-diaminopimelic acid 2,6-Diaminopimelic acid 1494.1148 1803.6534 2463.4430 687.8825 1271.2641 462.9007 758.9252 599.0515 865.2492 622.5894 772.3477 664.9631 1055.1015 2323.3155 774.4305 1449.6655 953.1939 1211.2823 2-hydroxybutanoic acid 2-Hydroxybutyric acid 4387.1983 6171.8766 5887.0424 4574.0295 9229.5838 5800.6936 4161.6471 3346.1868 3423.6880 2871.1430 2731.6717 3834.5880 2254.5329 3682.5844 2948.2140 2452.8453 2564.0176 3034.2897 2-hydroxyglutaric acid 2-Hydroxyglutaric acid 995.0014 627.8968 1023.2082 897.9144 785.4965 1946.1740 614.8123 489.3242 966.0627 667.7865 233.4464 986.1492 790.0819 1334.3366 964.8114 866.5967 1674.0416 659.2915 2-isopropylmalic acid 2-Isopropylmalic acid 1188.5187 989.7548 960.1565 780.1187 1238.3784 915.8466 753.7413 792.8041 893.8263 543.4946 606.2639 637.4610 732.8476 1229.9906 792.7157 495.4672 94.4163 734.5127 3-hydroxypalmitic acid 3R-Hydroxypalmitic acid 769.2312 844.3353 884.9368 989.0394 824.9592 920.8240 405.3822 357.8492 513.5929 518.6362 405.3373 578.5277 355.8479 381.3710 365.7033 411.6334 356.3188 522.1235 3-phosphoglycerate 3-Phosphoglyceric acid 26671.5210 17596.8937 19947.5827 21561.0593 22574.5680 27172.7704 20530.3777 20357.8643 24306.3593 23308.1217 21645.4786 29625.7281 20313.1917 25628.4975 22384.2688 21977.6446 21536.7624 23206.8409 4-hydroxybenzoate 4-Hydroxybenzoic acid 524.9157 417.0949 565.2534 695.6614 365.5002 854.1265 424.0443 368.7231 531.0566 519.7661 380.9474 773.9896 625.8444 457.0911 515.2114 582.1269 653.5248 436.9466 5^-deoxy-5^-methylthioadenosine 5'-Methylthioadenosine 374.1334 400.1856 363.9303 571.1980 470.7341 572.4041 555.7157 504.1522 477.0778 410.1633 553.9997 577.5455 558.6563 640.8510 523.8162 587.7786 555.8245 579.6456 adenine Adenine 1562.6521 2535.2603 2473.3985 2429.2586 1314.4852 2300.5668 2516.2724 887.7033 1252.6269 3806.7220 3865.2226 3995.6721 3502.4890 2604.9575 2994.4647 2200.4019 1437.5904 3653.7583 adenosine-5-monophosphate AMP 22434.2986 18739.9591 18309.3434 25298.2948 18897.0162 30234.8836 25446.8028 22252.8835 20442.1086 21151.0922 19472.4524 22079.3297 21535.0191 27117.9681 23094.1634 19927.9552 19939.8958 23074.0976 alanine Alanine 116523.2131 123002.4000 119858.0591 94855.5479 112892.5712 112463.9714 107260.3889 122177.8302 86436.8112 139133.4869 115588.5052 168095.2144 102244.0604 134750.4549 118667.4943 142040.8429 95833.3380 105105.0090 alpha-ketoglutarate 2-Oxoglutaric acid 1086.9221 951.4272 1159.2673 763.4495 1199.8553 1153.7676 590.9663 648.4781 485.8097 636.1486 736.3435 880.0694 645.7520 1036.9966 524.8918 615.0952 559.1085 808.6277 arachidic acid Arachidic acid 940.1715 1663.8703 1475.6322 1523.5652 1438.5109 748.6050 1653.6689 1430.4084 1307.3995 1635.0035 3009.2523 1824.9653 1405.9725 1327.8727 1938.2275 3078.3020 1340.7111 2592.9184 asparagine Asparagine 362.8449 321.2758 24.3358 292.2667 333.5541 348.4199 291.3360 136.4177 580.2727 536.7150 401.8531 1037.2246 317.2770 651.0085 407.6516 420.1110 155.9921 351.7696 aspartic acid Aspartic acid 9370.2686 8314.8423 9384.7553 14257.7255 9169.4501 17543.4398 13547.6439 11549.0399 12191.2824 25338.5995 20587.4204 35648.7029 14200.3220 17993.6911 15259.5080 31283.1972 14815.9657 21262.1521 benzoic acid Benzoic acid 18636.5217 26282.6123 25611.1786 30277.9416 21356.8605 24421.2487 26124.8589 23013.0660 20809.6411 28958.8836 24133.2511 24480.8583 27876.8260 24564.7219 26468.3142 22941.2624 19004.7642 29359.4911 beta-hydroxymyristic acid 3-Hydroxytetradecanoic acid 545.0737 782.3347 719.0112 686.7712 663.3499 596.2958 587.8560 577.3037 544.5514 637.2785 495.9285 676.7498 612.1579 507.8790 498.0018 379.6070 449.0931 568.5836 bisphosphoglycerol NIST 1010.3215 982.9911 1484.4816 989.0394 1010.9979 1771.9641 94.3473 1303.8760 1203.4109 1781.8939 130.0796 1138.3933 1557.7677 1444.2232 1653.1940 1068.1746 1401.4659 1923.6711 capric acid Capric acid 447.5087 613.2422 810.8234 1186.8473 992.2061 845.1671 564.0100 1417.5574 903.3520 1606.7553 1228.7877 910.5182 1376.1111 899.4075 1083.1271 841.1639 534.4782 1377.2113 citric acid Citric acid 3284.1497 3797.8177 3874.9172 4622.9258 3788.4233 4598.1472 3686.8005 4081.6559 4215.1133 4816.8762 3412.2668 6470.8672 4555.1020 5828.6040 4491.6970 4505.3606 5117.3620 3724.5547 cysteine-glycine Cys-Gly 33075.3308 13101.2876 25740.6006 17477.1044 20496.1969 42253.3792 22676.5185 26314.7687 26295.6387 18342.0952 14380.7650 34792.2068 18305.0151 31566.0647 19522.1027 17456.2708 15857.0078 14118.3522 dodecanoic acid_ isopropanol ester NIST 184.6478 134.1467 267.6934 307.8246 343.8896 193.1242 384.6465 147.2915 259.5748 259.8831 279.9034 290.7372 199.0757 143.1295 311.9234 87.6016 146.1400 430.3094 fructose Fructose 291.0823 509.5321 356.1871 400.0609 339.1917 238.9165 303.7774 330.1703 353.2440 465.5297 427.4044 333.9549 470.3165 422.9247 432.3904 270.3405 614.9373 311.9467 fructose-1_6-bisphosphate Fructose 1,6-bisphosphate 556.3622 538.8415 554.1917 386.7255 451.9424 392.2213 715.3803 769.0793 673.9418 440.6713 391.4002 303.5061 792.5703 824.6108 720.6506 719.6520 436.7779 769.9109 fructose-6-phosphate Fructose 6-phosphate 310.4340 1562.4148 1443.5532 913.4724 2315.1476 2640.0274 1824.7381 2058.1273 2441.7492 1114.1074 1160.2636 2387.7775 1740.6686 3048.1974 2082.3576 2025.1987 2206.0567 853.9817 fumaric acid Fumaric acid 6526.3707 5295.9774 5746.5587 4771.8374 5900.6196 7576.6396 8115.9376 6136.8176 6992.6427 6411.2024 12519.0006 16974.7309 6926.5918 12559.3858 6308.3819 7886.9715 6871.8626 9841.8067 galactose Galactose 585072.9288 618747.8173 462304.2838 223021.7212 621613.3635 289170.5998 533500.5567 646328.0866 605646.6829 197595.8787 318337.3146 217747.4318 581976.8000 675611.1118 687299.5564 584594.7978 715063.6954 389247.4931 glucose Glucose 155988.6462 136683.1113 102143.8358 50823.2908 156621.0484 59977.9974 114197.5042 172085.9343 174478.6994 41138.3603 67704.1118 45661.4564 139692.6972 196811.4213 146597.5461 136244.0649 244680.1818 78060.7816 glucose-1-phosphate Glucose 1-phosphate 7030.3220 8605.6814 4628.2197 10370.4672 7235.7757 8095.2875 8980.6146 8856.2740 8685.8323 10493.6264 9699.0606 8330.2102 1409.7051 11525.1595 6657.9513 7657.1350 9503.2031 10360.6116 glucose-6-phosphate Glucose 6-phosphate 14945.9857 10588.5729 10924.5454 8992.4797 9881.6587 12042.3873 15035.4276 13360.0338 6684.6457 10990.7941 14434.1905 14018.2478 16301.8154 20775.9446 12940.5189 14885.6814 12906.2940 15138.2629 glutamate Glutamic acid 114955.7230 84740.1471 93796.6689 94105.4337 124619.5829 135389.0055 129655.9392 85313.4292 75040.9231 65374.1516 79223.1255 100843.5740 113484.3749 99132.4393 76557.8348 96752.6903 103125.5583 95815.1930 glutamic acid Glutamic acid 536501.7007 371329.4039 487541.5766 417759.1376 478907.6299 530496.1787 517821.2869 491185.6210 571386.7821 360591.1512 577236.3794 450793.9266 401772.1879 695485.8020 448301.6935 537390.7130 423448.7739 472902.2970 glutamine Glutamine 19004.2046 16416.6280 17327.0635 22331.1765 14927.2522 30558.4164 15249.0049 16850.5465 15894.3903 45862.5825 19189.0647 67892.0480 13654.1079 20197.8859 17950.6541 26500.9024 12001.5398 17146.0047 glyceric acid Glyceric acid 1914.2086 1335.8308 1256.6103 1452.4433 1589.7848 1990.9709 1408.9881 1159.5501 265.9252 1404.4985 1586.5066 2112.7558 1101.1377 1738.7930 1132.6046 5046.0416 1608.3607 1723.4500 glycerol-alpha-phosphate sn-Glycero-3-phosphate 4355.7518 4457.2785 5825.0968 5957.5734 5237.2697 6561.2445 5160.0692 5065.2470 5213.7220 6101.6025 5903.5235 6497.3872 6105.4044 6321.7084 6458.9656 4432.8303 6392.3922 7148.2247 glycine Glycine 17144.0196 20749.9054 19034.9916 22048.9113 24439.6524 21452.7111 22643.3415 17622.5914 16094.4296 19190.6699 26631.4764 25808.8201 20274.6208 20423.1995 18461.5631 27441.9133 21164.0233 26228.9624 glycolic acid Glycolic acid 517.6588 719.2068 935.8207 2174.7754 2255.9535 1877.4855 683.2400 719.6526 1419.3263 2477.9286 1519.1440 1270.0108 1295.2366 1359.2689 1608.0189 1742.6128 974.5401 2410.3964 guanine Guanine 431.3823 666.2245 661.4903 345.6082 466.9758 545.5260 598.2238 648.4781 623.9320 603.3807 701.5007 745.5052 844.8277 1283.5487 657.1903 730.9554 1183.8980 1014.3798 heptadecanoic acid Margaric acid 815.1916 1693.1797 1663.6813 1402.4357 1475.1549 1634.5871 1477.4158 1293.0022 1446.3157 1635.0035 2977.8938 1719.8677 1697.1208 1269.6975 1592.9606 2117.5101 1349.7422 2267.6974 hexadecane Hexadecane 5524.9187 5452.6698 7807.3553 2373.6946 7422.7540 3559.8559 8947.4376 4356.4683 5865.4373 3790.9031 6061.4773 6190.9344 5408.6393 7182.3324 6336.3475 5413.4032 2519.6830 5058.6245 hexose-6-phosphate Hexose 6-phosphate 1570.7154 1545.5055 1390.4570 1085.7208 1507.1009 1394.6751 1446.3123 1143.7336 1339.9456 1201.1118 1141.6808 1707.0988 930.6791 1548.5692 1276.7348 1360.1800 1272.5672 1430.3087 hydroxycarbamate NIST Hydroxycarbamic acid 4029.9976 5883.2920 7320.6401 11123.9153 9195.7586 10257.4819 5514.6490 3487.5471 4818.4063 8700.4333 5022.0019 11683.5102 6778.5292 5894.1666 7448.5158 11069.8303 8573.8186 13244.4590 hydroxylamine Hydroxylamine 71783.6274 104690.8086 83767.0159 129186.3285 139805.2221 106160.5576 104378.1321 54964.4542 57681.9595 100449.3268 153088.5971 139998.8032 99970.8642 57062.5136 92392.7877 115185.7662 115267.4910 158419.1279 hypoxanthine Hypoxanthine 7980.1694 6662.2448 5689.0378 3792.7995 9595.0840 5788.7478 8010.1857 8853.3084 7775.3360 3929.8840 7411.0532 7161.3681 5124.9563 7508.2984 6030.8777 10466.0385 5821.7895 7134.9504 inosine-5^-monophosphate IMP 1900.5011 1520.7053 1499.9680 1662.4752 1507.1009 1894.4088 4191.7138 3182.0902 2927.5589 950.2681 2956.9882 626.6565 2896.5521 4302.1968 2414.7174 2618.6290 3118.2000 2719.0245 isoleucine Isoleucine 4649.2530 5385.0328 4398.1361 4906.3023 5641.2930 4383.1224 3315.6321 4041.1260 4656.4697 5370.5402 4972.0606 6120.2146 5411.1277 5472.1653 4549.7793 40615.1244 4695.3623 5429.1994 isomaltose Isomaltose 302.3708 233.3477 264.3749 363.3886 313.8228 295.6592 302.7406 300.5143 329.4298 230.5050 245.0607 293.6839 308.5674 231.7775 150.5837 99.8470 190.4746 249.9998 lactic acid Lactic acid 14682.3183 15948.8054 15863.5992 7308.8902 16599.7208 7335.7322 8492.2898 10104.7921 10175.8073 5203.3111 7718.8309 3736.3659 6586.9188 14801.4407 7859.3942 7915.2301 6993.3723 6905.9682 lauric acid Lauric acid 11346.5640 13489.0731 18386.7754 34759.7348 14220.6812 44254.3050 12609.3553 27559.3327 23528.4288 19133.0437 13278.5726 18930.3315 54934.9529 37063.1622 21608.7627 34244.6970 33326.4813 28882.7215 leucine Leucine 4529.1110 5879.9102 3956.7739 4697.3816 4448.9544 3881.3977 5207.7612 4583.8311 3497.5121 6900.4605 10739.6974 7275.3056 6196.2327 4085.1940 4277.6530 14653.0190 3670.7405 6528.7561 levoglucosan Glucosan 2006.1293 2055.0376 2331.8086 3111.5847 1957.1641 2900.8446 2743.3279 2801.5047 2414.7598 2288.1010 2790.9044 1881.9341 2429.9684 3479.4328 2241.5461 2073.2383 2125.5977 2272.1222 lysine Lysine 26322.3835 26457.3412 23340.2094 17255.9597 26097.0875 19665.8148 3738.6396 11805.0702 19729.2702 17909.3334 11442.3596 18731.9230 16601.6732 27560.2845 15820.9701 39183.3560 22950.5434 23563.0353 malic acid Malic acid 16097.4135 12064.1869 14147.9279 12845.2884 13335.5882 15822.2455 13488.5473 12517.8030 14428.2295 11748.9747 15243.7038 17402.9789 15162.1067 23490.7886 14318.3598 15038.2778 14163.2620 15126.0948 maltose Maltose 4043.7051 54504.1520 20933.1812 2263.6779 69029.7327 2257.7610 2715.3348 3259.1958 2720.3754 2682.4453 2586.4936 2620.5637 2698.7206 2760.0915 3107.4025 3124.4577 3081.2545 3082.9623 mannitol Mannitol 793.4209 766.5527 682.5075 492.2971 653.9540 650.0520 509.0605 493.2783 589.7983 1037.2724 371.6560 1054.9046 577.3197 379.5241 691.6095 410.6915 815.2640 651.5482 mannose Mannose 1132.8825 467.8226 953.5195 1081.2757 895.4284 1138.8353 425.0810 928.2332 1139.9063 603.3807 549.3540 991.0603 1055.1015 1288.1658 397.9712 1256.5651 1351.3842 517.6987 mannose-6-phosphate NIST Mannose 6-phosphate 15505.5732 10605.4821 11249.7597 9059.1566 1011.9375 766.5238 15411.7798 13575.5341 15822.1539 1063.2607 14570.0772 14486.7669 16865.4486 21374.3184 13122.2949 15260.5786 1160.9097 15289.8114 methionine Methionine 512.8208 440.7678 597.3324 741.2239 479.1904 646.0700 1136.3142 738.4347 1351.8527 1190.9424 3254.3130 1690.4011 1580.1638 1716.6310 1247.6936 1869.7765 930.2055 1714.6005 methyltetrahydrophenanthrenone3 NIST 379.7777 456.5498 696.8878 1159.0653 715.0273 491.7698 1207.8522 585.2120 929.5476 690.3850 545.8698 1262.1531 530.0392 535.5815 1101.4123 1060.6389 503.2798 1037.6098 myristic acid Myristic acid 671.6663 1187.0294 1305.2819 1409.1034 1051.4002 1170.6909 1242.0661 1171.4125 1478.8618 1450.8255 2037.1395 2059.7159 1264.1310 1707.3968 1406.8821 1618.2751 1320.1858 1749.9987 N-acetylaspartic acid N-Acetylaspartic acid 32655.2370 22197.3373 28461.7814 78407.4890 26399.6352 98484.3695 27141.9431 24282.3433 28119.0126 38496.5923 26967.1282 52536.0161 55427.6654 91728.4870 56452.7580 63779.6297 59425.6022 57688.0094 N-acetylglutamate N-Acetylglutamic acid 553.1369 364.1125 272.1181 507.8551 429.3922 712.7676 1015.0106 728.5494 908.9086 274.5721 445.9872 342.7949 1155.8836 1335.2600 835.7396 824.2088 1030.3689 623.8933 N-carbamoylaspartate N-Carbamoylaspartic acid 57333.5299 45879.3068 50440.2942 57907.7023 59624.4458 69565.5176 143656.6574 122743.2716 131018.5797 147979.6807 126817.1625 192891.3653 76192.5102 95842.3068 64078.7475 71551.6829 69294.9762 75913.6594 nicotinamide Niacinamide 1709.4028 1428.2681 1350.6349 1541.3457 1315.4248 1808.7970 2278.8491 1064.6509 1456.6352 1760.4253 1337.9617 2597.9726 2072.8762 1890.2333 1671.4792 1510.8924 1102.6179 1948.0074 N-methylalanine N-Methylalanine 6087.7315 10226.7149 9577.2290 9514.7815 11358.6928 12672.5296 8262.1240 6675.5685 5878.1382 15015.5919 7739.7365 26612.2763 8113.5810 9086.4169 8425.1587 7593.0822 7061.5162 8876.0995 norleucine Norleucine 6446.5448 5841.5825 6090.5779 3523.8697 5253.2427 2756.4992 2652.0910 1738.8309 1711.4471 2907.3006 2937.2439 5872.6951 3655.5284 2721.3080 2563.1499 2060.9929 2189.6365 2108.4055 norvaline Norvaline 78305.1602 73748.0068 4919.1427 24372.5983 80058.6297 23156.9822 14305.5323 12275.6123 10390.1351 14369.2740 17445.7657 23452.4736 12467.1188 10791.9669 10492.4579 9168.9694 7089.4306 9295.3469 octadecanol Stearyl alcohol 293.5012 401.3129 408.1771 240.0365 209.5284 453.9414 335.9177 315.3423 294.5023 381.9151 1754.9132 310.3816 418.0591 338.8938 370.0057 387.1426 378.4861 488.9377 octanol NIST n-Octanol 736.1720 1165.6110 1124.9760 1346.8717 925.4953 1134.8534 911.3323 1141.7565 681.0861 1325.4037 1227.6263 888.9094 1245.4677 1164.4280 1218.6525 1086.0717 847.2834 1243.3619 oleic acid Oleic acid 203.1932 377.6399 246.6761 305.6021 202.9512 256.8352 226.0187 311.3881 241.3172 333.3283 232.2850 293.6839 237.6467 209.6155 345.2669 731.8974 229.8831 316.3714 O-phosphoserine DL-O-Phosphoserine 1993.2281 1294.1213 1508.8173 638.9861 1071.1316 987.5216 4936.1240 6046.8610 5058.9297 833.8857 4359.9896 1394.7528 4568.7884 4119.3604 2741.6992 2580.9509 1876.8313 1573.0077 orotic acid Orotic acid 79835.5595 58274.9149 70608.0050 110052.3053 69189.4629 137338.1659 97966.6658 93649.7344 111034.4975 134381.0165 82154.5623 158114.8741 91554.9369 129970.8519 97066.2608 96973.1073 120295.3628 91557.4529 O-succinylhomoserine o-Succinylhomoserine 981.2939 971.7183 873.8751 1424.6613 1358.6459 1627.6187 1867.2462 2727.3646 2244.0914 2120.8718 3512.1493 3303.2068 2727.3378 4427.7814 2374.9203 2360.5339 2779.1225 1857.2995 oxalic acid Oxalic acid 238.6713 225.4567 230.0836 246.7042 315.7019 299.6411 132.7082 221.4316 185.7508 36.1576 113.8197 229.8395 240.1351 197.6111 226.9512 141.2929 138.7509 305.3095 oxoproline Oxoproline 207055.4410 162343.4631 158690.1942 202170.7699 249903.4552 246583.7329 214077.0347 161365.2856 156888.7381 153135.5348 257446.1221 269797.2489 159075.2098 171109.0505 145759.6553 189133.7773 197600.9440 191473.3064 palmitic acid Palmitic acid 14820.1994 21102.7451 19909.9729 19696.3311 20043.3149 20050.0721 19715.4662 17790.6421 20206.3480 21756.7328 36487.3293 22686.3418 24450.2346 18698.2578 22675.7558 29341.8323 17407.0767 27766.5719 palmitoleic acid Palmitoleic acid 157.2328 241.2386 329.6390 135.5762 141.8780 176.2009 174.1795 117.6355 270.6881 224.8554 227.6393 200.3729 210.2738 203.1516 285.0335 675.3802 198.6847 272.1237 pantothenic acid Pantothenic acid 162.8771 94.6918 190.2614 387.8368 205.7700 457.9233 353.5430 210.5577 274.6571 299.4305 357.7189 641.3898 277.4618 255.7863 177.4737 272.2244 237.2722 334.0705 pelargonic acid Pelargonic acid 11728.7606 16116.7707 11766.3416 15308.9967 11870.7688 11932.8839 14176.9712 13018.0011 11518.9281 19266.3750 15373.7834 12236.5002 11298.7930 13856.7858 15463.8716 9032.3862 8399.7642 15861.7137 phenylalanine Phenylalanine 2211.7414 2129.4383 2030.9301 2156.9950 2171.3904 2353.3276 1999.9545 1986.9529 1748.7560 2366.0659 1627.1565 2762.0034 2024.3515 2073.9931 1295.0199 13729.9052 2840.6983 2283.1841 phosphate Phosphoric acid 296967.6073 384978.5512 388238.3881 402093.4199 61451.9466 364897.1768 361598.8192 334220.2991 219354.9702 388379.4311 127049.4475 206227.9523 432585.3811 17495.9697 386138.5860 338713.0691 306487.5370 310194.4556 phosphoenolpyruvate Phosphoenolpyruvic acid 2408.4840 2377.4407 3976.6850 3610.5495 2891.1157 3182.5669 2661.4221 2631.4769 2203.6072 3854.1789 4258.9457 4353.2003 3096.8721 3222.7231 2543.7891 2887.0856 2743.8190 4886.0583 phosphoethanolamine Phosphoethanolamine 1861.7976 3478.7965 2618.3069 4373.9990 4856.7361 3736.0568 2571.2219 1084.4215 2229.0090 2601.0906 3894.2582 7741.8603 3439.0336 1630.7533 4523.9649 4148.3605 6231.4740 6430.3049 proline Proline 21445.7477 22516.3585 20114.6146 15495.6917 19877.0076 13879.0579 22057.5591 17895.4267 13597.1139 14286.7894 25665.1707 25998.3886 18935.8364 15312.0900 13174.9992 27071.7258 13659.9822 15980.0764 propane-1_3-diol NIST Propane-1,3-diol 1856.1534 2608.5338 3613.8609 4501.7963 2409.1065 3740.0388 2658.3117 3568.6069 2417.9350 4022.5380 3128.8791 2606.8126 3506.2216 3873.7316 4025.9631 3226.1886 2411.3095 4195.7933 putrescine Putrescine 893391.1317 880863.7516 1125388.5710 1266635.0010 806987.7179 900941.1958 672414.9685 777246.5323 856782.4957 1126786.3320 760530.1578 668017.8350 1277460.3710 1114187.7090 1258792.7090 916118.8825 1221941.1510 1293938.1800 pyrophosphate Pyrophosphate 167818.1971 202266.2044 220998.5977 270687.8648 233664.5366 281672.6035 180457.2712 169470.2739 166804.1768 260136.1748 268213.6937 310297.1377 203592.2799 234168.2299 213499.7381 239504.7076 208830.7334 324852.6303 pyruvic acid Pyruvic acid 5374.1365 4864.2278 5673.5514 3812.8025 5653.5077 4845.0276 4943.3815 7239.0327 5424.8746 4099.3730 8174.1095 3416.1621 4370.9569 8609.0107 4798.2424 4981.9888 3781.5770 3767.6963 ribose Ribose 44.3477 574.9145 598.4385 735.6675 349.5271 607.2461 716.4171 664.2947 697.7560 728.8025 689.8865 764.1674 880.9102 483.8702 581.8985 816.6731 596.8750 722.3446 ribose-5-phosphate Ribose 5-phosphate 615.2237 871.3901 720.1174 1083.4982 954.6225 1226.4381 906.1484 840.2537 586.6231 778.5193 1033.6683 1482.1704 487.7356 1125.6445 745.3894 1078.5360 703.6065 1077.4328 sarcosine Sarcosine 11808.5865 19288.9461 19601.3512 19569.6451 8431.8727 15803.3313 7314.5043 14699.4970 12756.4727 18822.3139 24560.6555 15597.6581 21852.2961 15515.2416 17834.4895 13323.9235 10325.8562 17459.0576 serine Serine 4350.1075 5185.5036 5607.1811 5646.4149 6859.9401 5442.3189 10818.8310 13157.3844 12184.9319 9190.8213 21105.4160 8657.2896 16797.0163 13896.4927 10903.3363 22160.3835 8127.1886 9853.9748 spermidine Spermidine 2752.7835 8188.5866 10920.1207 16588.0802 3980.0995 5234.2624 9658.6708 10559.5176 8456.4221 28009.7455 13765.2097 6663.3824 25313.7257 8448.3362 21202.1866 11055.7010 15143.5492 32545.3294 stearic acid Stearic acid 91116.0051 135063.2050 121475.2812 118079.0825 124856.3593 129298.6256 142525.5271 107374.5372 135025.7156 141576.3878 291168.0984 149689.3885 152606.4922 107755.3012 152562.8122 182970.5796 108964.5891 214572.8465 succinic acid Succinic acid 22999.5304 18904.5425 18166.6473 26530.7046 22095.3775 38570.0831 26104.1233 20901.5579 21953.5164 26199.6034 20470.1165 39965.5610 16339.1421 26247.1865 20353.5399 24225.1442 20807.7045 24012.1500 sucrose Sucrose 173.3592 219.8203 157.0763 156.6905 149.3947 296.6547 1519.9239 183.8673 172.2560 141.2408 220.6708 122.7775 160.5048 142.2061 132.2985 178.9710 77.9961 183.6282 sulfuric acid TG 16:0_18:1_18:1 924.0451 852.2262 512.1572 836.7940 871.9387 1310.0588 650.0630 706.8016 376.2643 267.7926 191.6351 747.4696 679.3460 826.4576 674.3999 711.1744 940.8787 601.7695 threonine Threonine 7613.2929 6260.9320 5827.3091 6078.7029 8598.1799 6391.0165 5020.1035 3100.0419 6054.3632 7010.0634 6140.4542 10936.0406 6264.6650 8446.4894 4960.6577 15864.3704 6137.0577 5001.1024 thymidine-5-phosphate TMP 5715.2107 1941.1820 1909.2513 6090.9270 5092.5730 5091.9080 5363.2786 3439.1090 2438.5740 1485.8532 6271.6953 3975.0455 2406.3281 2885.6761 1760.7538 3695.2812 2260.2435 2412.6088 thymine Thymine 12015.8113 5728.8542 5265.3742 16799.2235 12821.6330 15449.9339 12039.1246 8834.5262 8098.4153 6015.7281 22502.6103 12812.0813 7430.5023 9038.3993 4942.3725 13864.6045 5100.9418 8536.4980 trehalose Trehalose 105514.4981 141770.5412 54261.0091 488.9633 177492.1413 1003.4493 774.4769 956.9007 660.4471 511.8567 681.7565 285.8261 609.6695 562.3606 721.7262 515.2482 507.3848 502.2120 tryptophan Tryptophan 2097.2437 2298.5308 2074.0707 2090.3181 2332.0602 2584.2802 1387.2157 1334.5206 1477.2742 2448.5505 1419.2614 3731.4548 1734.4475 1871.7649 1842.4993 6601.2058 1903.9247 2005.5295 tyrosine Tyrosine 8791.3294 9252.7421 7726.6049 9013.5941 8876.2983 11134.5046 9671.1122 8684.2691 8925.5619 11841.6286 7982.4744 16450.2253 10023.4639 12292.5185 9658.8695 30760.4133 11071.3343 10346.2311 UDP-N-acetylglucosamine UDP-N-acetylglucosamine 882.1163 1105.8650 1042.0131 727.8886 1088.0442 1014.3997 1394.4732 703.8360 1503.4698 685.8653 1479.6555 2035.1604 1486.8470 1927.1699 1364.9338 1306.4886 1267.6411 1547.5652 uracil Uracil 1157.8785 2299.6581 2009.9128 566.7529 1176.3656 945.7112 2873.9626 1154.6074 639.8082 931.0594 8009.1871 2158.9202 1821.5431 704.5667 502.3042 1591.9004 931.8476 1837.3880 uridine-5-monophosphate UMP 7852.7705 5947.5472 5496.5640 9290.3029 7341.9493 9449.1477 9029.3435 9015.4279 8230.9810 6858.6532 7646.8225 8537.4587 8633.6664 10360.7315 6798.8546 8146.9505 6715.8705 7316.3661 valine Valine 17395.5921 21152.3456 17514.0064 19102.9074 16821.4638 19461.7402 20446.3982 19421.7228 16609.6101 19058.4685 26591.9879 27963.8114 22068.7910 25269.2885 20865.5245 53615.9581 19787.1878 21610.6031 xanthine Xanthine 404.7737 590.6965 640.4730 1006.8199 787.3757 1450.4223 1794.6714 1494.6630 1253.4207 697.1646 326.3604 1659.9523 889.6198 761.8185 1142.2850 2148.5945 949.0888 721.2384