Metabolite_name RefMet_name MED1 Aqueous Sample 4 MED1 Aqueous Sample 5 MED1 Aqueous Sample 6 MED1 Aqueous Sample 7 MED1 Aqueous Sample 8 MED1 Aqueous Sample 9 MED1 Condensate Sample 4 MED1 Condensate Sample 5 MED1 Condensate Sample 6 MED1 Condensate Sample 7 MED1 Condensate Sample 8 MED1 Condensate Sample 9 MED1 Input Sample 4 MED1 Input Sample 5 MED1 Input Sample 6 MED1 Input Sample 7 MED1 Input Sample 8 MED1 Input Sample 9 Factors - fraction:aqueous | Extraction from condensate:No heat step fraction:aqueous | Extraction from condensate:No heat step fraction:aqueous | Extraction from condensate:No heat step fraction:aqueous | Extraction from condensate:standard fraction:aqueous | Extraction from condensate:standard fraction:aqueous | Extraction from condensate:standard fraction:condensate | Extraction from condensate:No heat step fraction:condensate | Extraction from condensate:No heat step fraction:condensate | Extraction from condensate:No heat step fraction:condensate | Extraction from condensate:standard fraction:condensate | Extraction from condensate:standard fraction:condensate | Extraction from condensate:standard fraction:input | Extraction from condensate:No heat step fraction:input | Extraction from condensate:No heat step fraction:input | Extraction from condensate:No heat step fraction:input | Extraction from condensate:standard fraction:input | Extraction from condensate:standard fraction:input | Extraction from condensate:standard 2-Aminoadipic Acid alpha-Aminoadipic acid 193687.5469 205179.7969 199527.7812 189292.4688 184318.9844 172367.7500 121912.1953 106179.1406 98245.0156 109365.4531 112523.0938 122825.3281 199117.3594 194639.4531 198308.8906 195465.3594 201602.6719 203178.9375 3-Methylhistidine 3-Methylhistidine 11710.2354 16031.0498 14376.5752 15678.1426 15028.3281 14173.2158 11589.6387 10416.8008 8058.0967 7666.9658 6408.6768 10175.0723 13941.8154 17926.3516 16969.4492 13331.0449 14843.6699 17043.9590 5^-Methylthioadenosine 5'-Methylthioadenosine 215654.2969 228915.4375 208266.6719 225384.3438 297985.6875 204884.6562 276312.1250 167472.1562 156468.4062 230425.5312 188632.4062 279701.5938 263266.2500 243404.9375 222567.1875 236880.9844 280539.2500 262903.3438 Arginine Arginine 1831.3347 1715.4246 2057.0044 3879.3718 1829.2983 2218.0063 2203.5740 1681.6351 2165.2771 1799.0032 6945.0933 2624.5400 1936.7216 2156.0747 1859.9407 1687.0667 2867.8379 2158.7429 Betaine Betaine 14823956 15784982 14452072 15527225 15260904 14261244 14606063 13755094 13440170 13969025 13224953 16363876 14498178 15300459 16111033 15007233 15630142 15507315 Bilirubin Bilirubin 3359.6409 2778.0281 1482.3203 3915.1970 3343 9342.2715 8739.8936 9555.3008 6663.5981 7132.6084 11520.0049 2138.4226 3045.6936 2598.1829 2218.0420 2077.4692 3926.1694 CAR 12:0 CAR 12:0 6135.0996 5608.4624 4815.5327 5131.3608 4566.6284 6310.7769 CAR 14:1 CAR 14:1 2477.1243 8723.4053 7823.7036 7897.9351 6704.7861 5004.8911 9254.5879 CAR 16:0 CAR 16:0 12582.5215 16158.9062 11471.6875 13537.8105 16534.7246 9602.2090 197544 220173.2812 189992.2812 166928.7344 124549.6953 271508.3438 14274.8545 22840.4805 18452.5977 12016.2705 14898.7061 14845.6221 CAR 16:0;O CAR 16:0;OH 2119.2893 2279.0994 2162.0400 14058.4336 10540.3203 10294.8232 8684.7734 7803.7427 8222.5596 1818.8896 2270.3450 2321.0049 2215.6177 CAR 16:1 CAR 16:1 5291.1138 5754.3281 3886.3750 7065.8945 5039.0664 4721.2378 75212.1250 78178.6641 69319.6016 59758.2695 46452.3906 91834.8984 5401.6133 9294.7197 5354.3506 4335.1211 6393.8306 5502.0869 CAR 16:1;O CAR 16:1;OH 9596.7393 10082.7266 9153.4492 8296.6240 6568.2983 6352.5459 2094.6172 CAR 18:0 CAR 18:0 11988.6084 14791.0322 11880.3203 17426.4648 10786.8789 11530.5537 143111.1875 146072.8906 125417.0469 118371.0859 89542.5625 135915.0469 15190.7744 17064.4531 13323.7510 9819.0801 11969.3389 12903.4990 CAR 18:1 CAR 18:1 35581.2188 42382.8906 35185.3828 37098.8477 39309.3008 34356.9922 606948.0625 600953.3125 543481.8125 512999.2188 388465.0625 621292.6875 43121.2109 57801.3320 45048.6562 33996.7227 39933.9570 38692.8398 CAR 18:2 CAR 18:2 12242.0420 14328.4766 11174.0020 11942.1895 12819.0342 9611.5439 219529.5312 203101.0781 193570.8750 186758.9062 131515.7812 261176.7969 13762.7129 20635.2949 16936.4668 10933.7246 15589.0771 13938.9561 CAR 18:3 CAR 18:3 15796.2861 16023.5576 17854.4238 12518.5068 11032.9199 18176.0488 CAR 2:0 CAR 2:0 3552713.7500 5108832.5000 5127941 5086676 5428804 4724586.5000 4039289.2500 3322169.5000 2908060 3512486.7500 3169439 5668289 4409179.5000 4902830 5722846.5000 4643290.5000 5284749.5000 5659786.5000 CAR 3:0 CAR 3:0 450105.7188 605883.4375 625017.3125 626914.8125 621206.5625 602846.3125 507170.0625 408979.6250 371471.8125 443668.4375 392156.6875 746449.9375 551181.8125 599844.5625 735477.5625 562334 712685.7500 734165.3125 CAR 4:0 CAR 4:0 2094293.1250 2747755.8162 2712565.2728 2729618.2500 2862686.7631 2580430 2172189.7500 1870725 1641258.8546 1955022.0330 1665212.7500 3147912.3691 2318475.1799 2669324.7500 3033180.7500 2438069.7500 2919307.2500 3046706.2889 CAR 4:1;O2 CAR DC4:0 67283.8828 89660.6016 92245.8281 88647.3516 91563.2969 87730.6484 70715.2266 56084.8789 50739.1328 59001.2578 49480.4102 104800.4688 73325.0156 85633.3984 99286.8594 78084.0625 91804.6484 95972.5000 CAR 5:0 CAR 5:0 5678.2537 6287.0504 CAR 6:0 CAR 6:0 538193.1250 671308.3779 641493.9375 670710.0601 689357.7539 611177.1250 546229.4924 465572.9062 459539.2375 485007.0312 422486.2812 797056.5000 576648.3511 693938.4375 738313.1250 593580.0391 716807.2188 720357.9443 Choline Choline 1691619.2500 2416559 2416067.5000 2599003.7500 2498715.7500 2430137.7500 2035692.8750 1602418.3750 1253547 1666111 1467885.8750 3027386.5000 2097470.5000 2221184.2500 2269318.5000 2173448.7500 2570198.5000 2631359.7500 Dimethylarginine Dimethylarginine 2516.9624 3581.3076 2868.4045 2585.0684 2645.3289 2086.6719 1549.0065 1509.6814 1442.8585 1902.1024 2169.4202 2935.3674 3021.6809 3356.9351 3032.0176 3473.0867 1733.8915 3229.6992 Guanidinosuccinic Acid Guanidinosuccinic acid 56617.0195 61438.2773 60423.5820 63006.8398 68490.7344 48346.7969 59751.0938 37317.7031 40598.6641 47224.3516 40736.4453 72641.0703 53842.6445 67175.9922 63416.1836 52909.2500 72219.5859 68911.9609 Histidine Histidine 30774.3984 34967.9648 37853.3477 43373.7617 38734.8008 38015.0664 33144.6562 26716.2363 22447.7168 22027.6152 19194.1289 34641.3008 34313.5078 34424.5977 39483.7031 33895.8867 39477.4961 42500.0430 Leucine Leucine 292293.5312 363606.3125 371337.6875 414253.2500 407105.0312 364201.2812 318703.3438 270316.3750 252226.2188 274836.2500 259414.5625 427964.6875 337201.4375 405435 399790.5000 344044.4688 400192.2500 423035.2500 LPC 16:0 LPC 16:0 205801.8281 211495.6094 176294.2969 165040.6406 198295.7188 159476.8125 3083627.3418 3247145.5703 2963629.0938 2737557.6445 1999834.9785 3846078.8867 244618.5625 335227.5415 246195 182852.2500 216675.4688 224199.8125 LPC 16:1 LPC 16:1 3718.1311 3800.4202 3565.4546 2347.7122 2701.5330 3034.7234 25464.5957 32802.0664 29610.6621 24230.7383 19672.4902 25165.7363 4396.0537 6220.1890 4461.3662 3103.0913 3450.9670 3040.1653 LPC 18:0 LPC 18:0 346809.8750 400926.5000 333995.7812 271878.9375 314511.4688 298034.5000 3512579.6459 3527502.0695 3462138.2815 3050326.2500 2409253.7500 3890601.8983 471685.5938 554094.7500 498426.4375 320414.3750 373146.6562 419076.5938 LPC 18:1 LPC 18:1 115818.7734 115069.1641 107347.3125 102143.8438 128796.1250 97100.4609 1528465.0337 1331411.3750 1373192 1382067.5000 1026095.9375 1648431.2349 137097.2656 179178.1250 142849.3438 110610.2734 141516.4531 133402 LPC 18:2 LPC 18:2 76732.7344 102365.3672 84470.9453 37621.9922 41386.6289 46432.4531 894084.8750 1330082.3750 1198706.1250 779546.1875 578017.5000 760943.1250 105380.2656 160420.9375 110219.2578 42631.8828 59940.0312 58064.1406 LPC 18:3 LPC 18:3 20993.8672 20140.0566 19193.8887 19687.8887 13479.4365 23418.5762 LPC 20:0 LPC 20:0 11413.4775 11783.6826 10799.7998 10149.9014 7690.2856 10933.0625 LPC 20:1 LPC 20:1 3336.6628 3420.4561 2571.4133 2710.2446 2740.2285 2879.3958 25024.6621 25416.1973 21100.2500 20730.7949 16259.9561 25407.3652 3662.2349 3648.2473 3614.0549 2860.1167 3058.4202 3082.4751 N1-Acetylspermidine N1-Acetylspermidine 5593.0200 11038.4883 8009.5996 9003.5781 10048.7461 10601.4727 9463.3125 6818.2012 8658.0635 8832.2393 8283.0986 12138.1807 7500.9707 9840.1748 10494.6562 11421.4307 9818.9355 10878.5449 Nicotinamide Niacinamide 9531707 10439535 10300028 10866805 10918942 8710282 9169094 7458620.7319 7876928.8274 8395550 7448556 11729794 9069096 10913092 11314559 9289698.1322 10911588 11068262 PC 34:2 PC 34:2 791073.6250 876779.0625 773523.7500 621646.7500 756455 576926.0625 4241756 5060542.5000 4688489.5000 4303156.5000 3484290.7500 5708756.5000 1103698.3750 1052347.3750 1051837.7500 669692.1250 782645.8125 954619.7500 PC 36:2 PC 36:2 177283.0156 208408.7344 165664.3906 148059.6875 170610.2812 132583.0469 987510.7500 1148874.2500 1091579 993566.3750 785708 1258629.3750 261730.3438 242849.6562 227991.4375 159369.2656 195996.7500 218960.9531 PC 36:4 PC 36:4 487546.7812 540650.1250 468279.0625 394177.6250 431452.8438 334807.1250 2373798.5000 2921615.2500 2881676 2448566 2010136 3058893.7500 618403.2500 640016.9375 638642.3125 387906.8438 493745 583567.5625 PC O-36:4 PC O-36:4 2757.0757 3584.5164 2642.7100 1966.0472 2123.2249 1699.2745 12961.2617 16343.8662 16955.7793 13656.2822 11733.0947 18412.9414 3266.6997 3335.7163 3818.9180 2231.7988 2920.4773 3963.2209 PE 40:5 PE 40:5 4493 5302.6826 4136.5503 3876.0007 4394.4604 3253.8530 18403.6777 20887.5352 20258.9922 14477.3887 14624.6758 21679.6973 5260.6865 4428.9482 6007.7676 4497.7988 5182.9453 6813.4185 Pipecolinic Acid Pipecolic acid 20859.3770 27156.2129 26470.6289 29439.7031 28247.1074 27829.0312 18755.9180 15483.1045 14434.3281 18627.7695 17098.5957 20896.0957 25840.8438 25952.0430 26742.4922 23564.6836 31946.5898 30362.1211 Proline Betaine Proline betaine 998187.0625 1320695.7500 1407513.6250 1370922.2500 1452435.2500 1286395.5000 1141839.8750 934544.8750 823834.6875 987752.3750 876048.4375 1552815.3750 1129122 1298395.5000 1527760.8750 1242676.3750 1514781 1540609.8750 S-Adenosylmethionine S-Adenosylmethionine 1311.1404 1972.4329 2119.1116 2173.4785 2288.2146 2100.5742 1927.0348 1414.7565 1557.9066 1466.8096 1396.5844 2529.3794 2137.9426 2124.7310 2393.9827 1636.9913 2049.7930 2519.8884 SM 36:1;O2 SM 36:1;O2 2115.8279 2277.2327 2199.4695 1653.8904 2097.1584 18187.1250 22494.3535 20896.7871 18710.3613 11644.6396 33014.6445 2741.2290 3492.8152 2785.8018 2212.0535 1915.3546 2721.1741 SM 36:2;O2 SM 36:2;O2 2991.7202 4048.9487 3360.5063 3246.4661 2534.2378 5410.9805 SM d34:0 SM 34:0;O2 11151.4304 994.5069 987.1098 51448.5199 47083.3335 206680.6748 81180.5108 44738.5704 219546.1543 14427.0695 972.8597 4018.7425 1008.2808 SM d34:1 SM 34:1;O2 11138.4160 14439.5361 10831.9316 8537.0723 10659.8223 7275.4004 101952.1328 128530.4219 125756.5312 114932.6172 74801.0703 155027.0938 17546.6777 18288.1582 14695.9473 11370.2383 12382.0781 15592.1494