Metabolite_name RefMet_name 20210227-3-C-1 20210227-3-C-2 20210227-3-C-3 20210227-3-C-4 20210227-3-C-5 20210227-3-C-6 20210227-3-30-1 20210227-3-30-2 20210227-3-30-3 20210227-3-30-4 20210227-3-30-5 20210227-3-30-6 20210227-3-50-1 20210227-3-50-2 Factors - Concentration of MgSO4(w/v):0.01% Concentration of MgSO4(w/v):0.01% Concentration of MgSO4(w/v):0.01% Concentration of MgSO4(w/v):0.01% Concentration of MgSO4(w/v):0.01% Concentration of MgSO4(w/v):0.01% Concentration of MgSO4(w/v):0.15% Concentration of MgSO4(w/v):0.15% Concentration of MgSO4(w/v):0.15% Concentration of MgSO4(w/v):0.15% Concentration of MgSO4(w/v):0.15% Concentration of MgSO4(w/v):0.15% Concentration of MgSO4(w/v):0.25% Concentration of MgSO4(w/v):0.25% 2_4-Diaminobutyric acid 2,4-Diaminobutyric acid 135.2054 140.7351 85.1930 168.0195 70.2835 110.4867 49.6503 54.6284 59.8007 49.3006 60.9253 99.1790 29.9140 43.1697 2-Deoxyadenosine Deoxyadenosine 10.2035 7.5882 3.6791 12.6056 5.0186 7.6009 29.2012 14.8762 13.8661 5.1398 4.4332 18.2514 50.6444 3.1510 2^-Deoxycytidine 5^-monophosphate dCMP 12.4778 13.8935 4.6540 17.8433 8.4368 10.2930 12.8479 8.7185 5.8545 5.4363 4.9402 11.1014 4.9909 3.3561 2^-Deoxyguanosine 5^-monophosphate dGMP 5.0193 4.8340 0.9464 7.7628 2.8113 3.2884 2.1009 1.7749 1.5258 1.1655 0.7000 1.2513 0.9737 0.6439 3-Guanidinopropionic acid? 3-Guanidinopropanoic acid 79.1362 77.7235 45.5032 73.4757 30.7517 45.2336 56.8409 38.3695 33.6607 33.8272 57.5970 67.7125 54.4787 34.1381 5-Aminolevulinic acid 5-Amino-levulinic acid 13.5332 10.7121 6.9330 11.9453 4.8912 7.4631 7.8560 6.2604 5.3056 4.4311 8.5272 8.5267 6.1055 4.3328 5-aminosalicylic acid 30.4343 10.2401 10.3027 22.0323 9.6020 10.5088 9.6641 10.8481 10.6241 8.6530 8.5873 12.0228 5.8969 6.5706 5-Dodecenoic acid 5-Dodecenoic acid 11.0253 11.1502 4.0338 14.8995 5.2035 8.5790 3.2913 5.3712 3.9481 5.1330 2.7981 5.1625 3.3018 3.6340 Acetylcholine Acetylcholine 7.7989 8.1770 3.3960 9.8212 3.9451 5.0536 3.4540 2.3806 1.6443 2.0488 2.8105 3.3076 4.2305 2.6493 Adenine Adenine 314.3271 288.8769 101.2202 443.4229 154.6235 245.2392 139.1941 126.2902 103.8774 116.5499 100.0257 174.1863 159.4908 114.2685 Adenosine Adenosine 716.0051 474.8854 174.1953 531.3980 285.1621 358.3166 349.0229 197.0166 251.7765 155.9817 70.3385 297.9591 864.3850 127.9596 Adenylosuccinic acid Adenylsuccinic acid 165.2203 107.2025 56.4550 201.5612 80.9773 122.0266 218.0467 41.9032 110.2798 210.1883 104.8561 199.1050 44.3040 25.6089 Agmatine Agmatine 2248.8428 2038.6084 1383.6220 2651.0139 999.5168 1686.2238 2207.7181 1538.7312 1153.1574 940.8562 1721.4723 1911.4690 1434.1052 975.3008 Alanine Alanine 36.9864 34.4393 22.7713 45.9448 18.0679 28.0318 18.3538 15.3347 14.6008 15.5997 21.1384 30.6532 8.8283 14.7471 Aminoadipic acid Aminoadipic acid 3958.4601 4179.8407 2273.4976 4872.0546 2268.8909 3121.6397 3298.0610 853.5917 3127.0661 2982.4782 670.7210 5166.2322 358.6379 1077.6545 AMP AMP 2804.1992 2219.5534 995.2377 3038.8174 1057.4752 2051.5387 1905.3909 1471.0868 1211.8819 953.0368 1073.6472 1496.1319 790.9470 988.4441 Betaine Betaine 2820.7080 2507.2462 1703.9499 2991.3047 1184.1352 1809.9497 428.9623 1274.9636 457.7041 414.2319 654.2643 507.8843 788.3845 663.0844 Beta-Sitosterol Sitosterol 88.2570 84.3374 46.3432 78.0295 33.4245 37.0776 23.1940 37.9718 28.1952 11.9821 28.2086 30.0268 24.3084 29.3744 Biotin Biotin 6.0728 6.2682 3.6082 5.0876 2.0444 2.9281 4.1934 1.7908 3.9150 1.5750 3.3275 3.6077 1.5425 1.4865 Cholesterol Cholesterol 2600.5084 2103.4344 672.8500 2321.3347 1071.3041 1293.6064 966.6636 1369.8697 659.1230 460.4431 1174.3659 1157.6969 764.4163 633.6378 Choline Choline 3.2473 2.5651 1.3592 3.6493 1.6111 2.8009 0.8664 1.0829 1.3755 1.1967 1.0451 1.0591 1.1015 0.7020 CMP CMP 257.5486 287.7917 117.8356 411.7327 167.4503 221.8183 179.0439 140.2219 93.2366 98.9246 168.4658 222.6830 81.9423 81.3601 Creatine Creatine 4.1085 3.7359 2.1015 4.4925 2.1219 2.8908 1.5793 1.3569 1.5820 1.2852 2.2995 2.7308 0.8300 1.4481 Cytidine Cytidine 13.1134 11.4634 3.6392 13.8498 5.7542 10.8771 4.1277 4.1883 3.1731 3.0546 5.5573 6.9267 6.9507 4.4717 Dephospho-CoA 3'-Dephospho-CoA 1040.2798 842.1137 1039.3946 1056.8975 459.2045 600.9600 272.6284 388.8503 144.8806 196.6703 386.0348 215.9680 476.4922 644.2131 Dopamine Dopamine 14.8070 12.7553 8.9862 16.9019 6.4838 6.7935 2.3372 4.2254 3.9249 3.2873 3.4937 4.9711 3.6935 2.3191 Ethylmethylacetic acid 2.4635 2.5530 1.3094 3.0592 1.1846 1.6736 0.8652 1.0243 1.0174 0.7699 1.0259 1.5362 0.5789 0.5858 Gamma-Aminobutyric acid gamma-Aminobutyric acid 97.2995 108.7472 86.2443 85.9036 35.5063 56.3216 17.1401 34.7175 17.5848 13.2225 37.0474 39.7730 14.2935 64.6757 Guanidineacetic acid Guanidoacetic acid 6307.7507 6643.3709 2912.5101 8103.2451 3311.2981 4662.7474 2718.8575 3677.0505 1908.5542 1626.2177 3066.1530 2578.3827 3767.4063 2680.7791 Guanosine 5^-monophosphate GMP 57.3234 72.4893 20.9669 66.3461 27.8758 49.8744 31.2829 19.3810 20.8630 17.0343 17.0194 28.0460 13.9789 11.0392 his Histidine 147.5273 118.5101 82.0257 132.7663 49.9932 81.6212 66.6725 159.3373 105.2608 112.7435 144.5527 122.1875 166.9471 143.8405 Histamine Histamine 50.2888 45.8334 19.8121 59.5337 24.7710 36.2727 27.5297 21.2261 15.5660 16.4279 21.0035 24.7115 15.7817 13.6243 Hypoxanthine Hypoxanthine 146.9052 242.4766 73.6766 355.9445 159.1466 170.6238 29.5054 60.8567 57.2540 61.5030 72.3704 176.9775 53.5054 37.2320 IMP IMP 89.1903 92.7903 30.1767 166.6199 44.3916 80.9079 44.9615 33.5794 34.0350 32.4171 29.9595 46.4004 28.8387 25.0363 Indolepyruvic acid Indolepyruvate 2.5242 3.4213 2.1403 5.2108 2.0024 3.0296 0.5883 0.4051 0.2883 0.6411 0.7593 0.7977 0.6737 1.7503 Inosine Inosine 65.6100 59.3105 23.9597 68.2202 25.3193 39.1239 45.3543 22.2824 22.8905 21.5946 24.2188 64.4184 27.1421 27.7967 Isoleucine Isoleucine 40054.5146 42595.1565 19038.6937 43595.8169 18240.9001 27998.6212 21183.0798 19558.0498 14398.0603 13839.7929 18720.4166 24829.2810 20300.3177 17398.1776 Isonicotinic acid Isonicotinic acid 73.8541 51.4793 26.7742 72.5853 27.8961 43.9104 70.6706 88.6083 63.6674 49.6500 83.2750 86.0334 43.4379 41.6442 L-Carnitine hydrochloride Carnitine 7.6560 7.3767 3.0811 6.7280 2.7619 4.2390 2.6659 5.0427 2.6512 2.3206 2.5520 2.3073 2.4821 2.0202 L-Citrulline Citrulline 36.2494 39.9286 11.7663 49.5770 16.2218 22.3153 8.5683 23.3929 18.2431 15.8497 15.6251 20.0226 13.2037 12.3833 L-Glutamate Glutamic acid 1906.4908 1851.3082 744.5119 3350.4747 1030.2685 1711.8566 887.9433 1610.6525 784.2948 676.7737 1072.6400 683.6108 865.4620 722.1073 L-Glutamine Glutamine 313.1606 216.9617 115.0538 264.3951 100.0663 160.1755 122.8134 122.4627 101.8512 97.4897 186.1739 121.0043 96.2196 134.2846 L-Histidine Histidine 339.3713 368.2599 200.9538 440.7462 217.8909 341.9607 541.9086 270.5136 243.2651 213.8362 429.9976 395.5066 208.5019 251.6123 L-Homocysteine Homocysteine 56.5673 68.2323 50.2137 92.2577 35.3534 56.3845 22.3818 28.8207 18.5609 22.2261 32.3643 37.3448 14.4563 22.2804 L-Homoserine Homoserine 14.8039 12.0500 7.2227 14.8792 6.4979 8.3174 6.4094 7.8720 5.1182 4.5203 9.1954 7.3705 5.9430 5.4615 L-Leucine Leucine 72524.9860 75524.7755 34122.5117 83718.7499 34181.6923 50692.3672 41580.9988 38278.3343 27913.1481 27694.8676 35439.5405 45074.7660 40015.9109 34458.0795 L-Lysine Lysine 246.5301 234.4957 121.3932 213.0907 106.0145 142.8035 116.5886 179.0574 104.2347 87.9299 204.1204 135.3431 123.1817 141.1893 L-Methionine Methionine 2886.2878 3082.3716 1310.7353 3530.0539 1425.4295 2127.3112 749.0925 1047.9777 1181.6934 1037.2496 897.4742 814.6220 773.4907 730.1587 L-Norleucine Norleucine 39027.5309 40610.5638 18103.7414 44856.1565 17762.4276 28167.2946 20245.4930 20619.8272 15060.7888 14709.1148 18791.5553 22975.6988 19137.0697 16750.5271 L-Ornithine Ornithine 140.5928 164.5509 77.0813 214.5333 69.5174 104.9991 98.3022 76.6904 64.7933 63.2053 74.3543 104.7566 89.9026 79.2153 L-Phenylalanine Phenylalanine 12682.5285 13156.0237 5399.4043 13898.9799 5722.3544 8557.8351 5933.8624 6413.1712 4736.3738 4316.2116 5973.2336 6820.2320 6762.2938 5974.7400 L-Proline Proline 598.5445 596.6009 396.0461 743.5315 321.8756 473.4112 133.5890 87.5829 204.1189 160.3841 76.2250 398.1622 60.8257 84.7636 L-Valine Valine 13060.0367 12998.9614 5785.3366 14099 6163.4272 8703.8624 5049.5151 7375.4991 3368.1749 3161.0823 6294.9559 5293.9319 6836.8691 4735.7764 N-Acetylglutamine N-Acetylglutamine 231.2516 277.0201 105.0557 295.4911 111.0477 180.2053 87.9463 106.4381 74.1859 93.4773 90.9200 114.2485 72.3327 84.3652 N-Acetyl-L-cysteine N-Acetylcysteine 44.0049 56.3637 40.8990 58.4256 25.3951 37.1475 9.6699 12.7682 8.6062 11.8601 20.6277 18.5787 12.5111 34.6305 N-Acetyl-L-methionine N-Acetylmethionine 8.6494 10.5462 4.9044 9.6132 4.0588 6.0915 2.5220 3.1099 3.9809 3.4639 3.0796 3.9001 3.6114 3.5948 Nicotinic acid Nicotinic acid 70.0091 51.4793 26.7889 69.3505 27.1636 42.1130 70.6706 88.6083 63.6674 49.6500 83.2750 86.0334 43.4379 41.6442 Normetanephrine Normetanephrine 354.4387 450.8555 201.9916 438.7058 166.6875 250.0801 221.4987 76.5355 203.3952 154.5964 58.8641 264.8185 35.0366 86.7016 Norvaline Norvaline 13060.0367 12998.9614 5785.3366 14099 6163.4272 8703.8624 5051.2261 7115.5357 3368.1749 3158.2186 6123.0795 5293.9319 6837.6525 4735.7764 Oxidized glutathione Oxidized glutathione 1892.9316 1757.6954 778.6145 1907.2437 849.4034 1077.4685 989.6098 1126.2395 1279.2294 1023.7308 1286.0835 1490.9778 134.1088 452.9281 Pentadecanoic acid Pentadecylic acid 7.9947 5.1952 3.8042 4.8544 1.9296 2.8800 1.6042 5.3396 2.3770 4.3778 2.8569 2.4789 3.6397 4.1488 Pipecolic acid Pipecolic acid 7135.0935 7685.9726 2943.1282 9652.3634 3621.6084 6080.9099 2604.5817 3768.2319 2842.1845 2674.3029 3345.9553 3459.8302 3114.4067 2540.4200 PLP 214.8567 165.0766 70.9725 219.5982 91.9280 121.2475 107.3367 168.7218 137.6903 97.5283 100.2702 108.3734 159.6754 78.1565 Putrescine Putrescine 206.1889 194.2001 122.9629 213.2230 91.8123 124.3720 82.6612 73.2603 82.4075 65.9697 83.0970 126.7961 88.0894 59.9726 Pyridoxal Pyridoxal 11.5362 11.2848 7.1256 15.9142 6.5872 10.3689 4.0544 5.6108 3.6847 3.2569 4.5541 4.7205 4.8394 3.9491 Pyrogallol 1,2,3-Trihydroxybenzene 16.3989 14.2122 9.6929 17.7180 8.7901 13.7630 11.2998 8.1598 7.6975 8.9409 9.1044 15.4894 9.7048 9.9269 Pyroglutamic acid Pyroglutamic acid 9252.7386 9565.6899 3288.9046 11757.4528 4304.0906 7021.7047 3310.0130 4412.2148 3445.1383 3694.9510 4303.1766 4156.5146 3654.6516 3258.2585 Reduced glutathione Glutathione 4673.6618 4247.7764 2340.5639 5478.5527 2433.1213 3287.2247 1973.1060 3178.0564 1441.5372 1744.6703 2535.0285 1598.3654 363.9950 1902.2219 S-(5^-Adenosyl)-L-homocysteine S-Adenosylhomocysteine 16.0114 14.7886 10.2164 15.4988 6.1129 8.7983 11.8424 10.1089 9.7307 12.3353 12.7236 11.3454 3.5009 7.2294 Sarcosine Sarcosine 15.0122 16.2313 11.1319 19.9972 9.5650 13.5750 7.6418 7.9125 6.8136 7.3619 9.5896 13.1296 4.5896 6.5186 Spermidine Spermidine 969.2335 935.0525 348.9000 1016.6892 361.4130 572.9051 356.1387 463.7691 375.9392 404.6799 368.9819 542.9294 422.8630 373.4036 Stearic acid Stearic acid 42.0204 38.2833 25.4231 76.3147 28.8128 43.1518 23.1296 19.9793 8.3261 22.0627 34.7123 25.3193 12.9509 17.8709 Thiamine Thiamine 5.8673 3.9357 0.8941 4.6252 1.5453 4.4263 1.5118 4.7809 2.7649 2.6134 2.6406 2.7014 2.8230 1.6138 Thymine Thymine 63.0849 47.9527 33.4419 75.0820 33.1545 46.3556 27.7937 32.6678 27.8112 28.0691 29.9176 47.0557 27.9496 33.5384 Trans-4-Hydroxy-L-proline trans-4-Hydroxyproline 72418.9872 75277.6692 34129.4268 81624.3467 34068.2875 50692.3672 41558.3210 38222.4549 27918.9455 27695.1958 35330.9665 45431.3600 40039.0821 34437.6785 Tryptamine Tryptamine 5.2197 5.4270 2.3137 5.8685 2.3808 3.7962 2.1944 2.4270 1.5873 1.8622 1.8129 2.6168 2.5538 1.9607 Tryptophan Tryptophan 2112.8527 1852.1081 891.7110 1880.9374 741.3543 1278.1878 1029.2300 560.7604 839.0343 693.8501 1039.8495 1410.5722 548.2791 837.6260 Uracil Uracil 46.9652 56.6168 17.1004 71.3354 25.8304 39.8263 17.2779 14.5742 24.8351 24.2910 20.6445 36.2860 12.2420 15.5611 Uridine 5^-monophosphate UMP 38.3788 44.4976 8.8523 45.6147 22.1199 32.4596 17.6901 30.6698 10.7631 7.5395 12.5745 9.9970 8.4858 6.0735