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-Aminoisobutyric Acid Aminoisobutyric acid 11989.1992 10931.0244 11550.4697 13437.7900 12804.4404 13186.6455 11473.3135 11722.9785 12314.4375 12207.0078 13657.9639 9374.1836 11371.6543 11027.3311 12138.7793 11461.5967 11340.6084 14492.4551 2-Hydroxybutyric Acid 2-Hydroxybutyric acid 184365.2969 228913.6406 196605.2380 223586.1552 203564.3594 200681.7344 189708.1094 168164.7812 142062.3125 170753.9634 141039.4844 245825.0781 214193.7344 234293.9219 219740 212130.0625 226305.7344 239850.8438 3-Hydroxybutanoic Acid 3-Hydroxybutyric acid 66185.0103 74350.1602 78991.5554 75099.4070 83599.9429 72796.0388 73513.1948 62156.8438 57571.7422 70133.3203 53810.7852 91688.1094 76020.3359 76300.2175 83372.5078 77490.7954 77715.4246 88264.5469 3-Hydroxymethylglutaric Acid 3-Hydroxymethylglutaric acid 34705.3008 42326.2070 36248.7500 31455.6035 33338.7344 38164.2734 36896.1758 28677.8418 21537.3809 26482.7500 20826.6367 39363.2500 30069.9043 35088.9297 37209.4375 35538.9297 46929.2773 36751.9102 4-Aminobutyric Acid 4-Aminopentanoic acid 278801.4062 308509.2812 318292.2188 335759.0312 304414.3125 285781.8438 259151.2188 212915.1250 214744.0156 235354.3281 188783.9062 362527.9062 271850.0625 354643.3750 339135.2500 275465.0312 334321.2188 337039.1562 4-Pyridoxic Acid 4-Pyridoxic acid 8625.6680 13790.6582 12060.8857 12105.7676 18442.8789 7886.4082 7732.4268 7057.4180 5203.0303 8021.0293 9023.3662 12085.9189 9573.3408 11239.9756 12294.6855 10285.9873 12730.7939 10777.0576 5-Oxoproline Pyroglutamic acid 10850.6045 12725.4902 12166.5293 24450.4375 15916.3838 17076.2559 20796.0469 9478.0020 12437.3320 11572.2568 31093.4043 14472.6855 10610.8701 13733.8184 12011.6250 12613.9492 19758.1426 16707.1523 Acetoacetic Acid Acetoacetic acid 12619.9238 14223.6943 14309.1362 16932.9375 18694.0312 14600.6836 17251.1074 13142.0830 11182.3516 18755.0040 16444.9160 20177.1035 15814.0293 13526.0264 17525.8887 18915.6562 16488.1348 16419.2070 Acetylglutamic Acid N-Acetyl-mannosamine 1229825.5000 1419230.5000 1453799.1250 1505118 1580660.3750 1257735.3750 1581521.7500 1365982.8750 1182553.8750 1250583.2500 1038449.9375 2302862 1380347 1550441.5000 1556725 1359034.3750 1673288.5000 1579559.1250 Adenine Adenine 5689.3130 4620.5283 7043.1797 5495.5205 6315.7231 6183.4443 7754.0996 4485.0283 4665.2578 7119.2798 7772.0249 13612.2715 3391.2063 2613.5654 5557.9600 4540.9248 4114.0347 4562.6401 ADP-Ribose ADP-ribose 264510.9688 282644.8438 310210.1875 316343.0195 317506.6562 295833.6562 162340.4844 116647.1172 127141.8125 136916.8125 117278.0156 187817.5576 266124.1562 305939.9375 302714.7471 261096.3560 344567.7500 296587.3506 Alanine Alanine 376768.6562 468137.9062 454446.2783 455712.0383 486822.9062 440996.1875 404128.3125 333366.7500 298026.8125 322866.7939 304749.9248 499942.2935 402478.0938 452877.0938 480660.2500 418377 474548.1045 487634.9604 AMP AMP 246753.6406 299525.5625 274279.6250 304573.5000 314418.5625 238405.3438 290542.7812 207267.7344 208382.1875 220547.0312 193162.4062 380517.2812 270566.2500 291307.4062 319997.1562 252348.1719 349738.2812 315263.7812 Ascorbic Acid Vitamin C 10012332.1133 11304665.8828 11911152.6562 12031028.1680 12621867.6484 11180941.9961 9259538.8320 7783758.3320 7692547.9375 5719041.1914 5497932.6016 11336755.4883 11479498.3281 12393881.5664 13034155.2422 10384414.3086 12883242.3594 14284114.0312 Cholesterol Sulfate Cholesterol sulfate 36301.0547 79662.4375 185575.7969 6405964.6660 43624.0312 24905.3984 271584.3125 360987.3750 311763.6250 297333.8750 1694710.6250 377048.3438 68817.7031 109589.1406 75895.7734 46341.1172 56333.8711 110180.4375 Cytidine Cytidine 2409.0959 3157.8901 2797.7573 3838.9404 4413.0479 4171.2334 2914.4885 2305.1191 2818.9736 3668.0723 3699.0078 2901.1201 3658.5671 4925.5942 3224.8096 4160.4224 3429.7957 DG 32:0 DG 32:0 4394.2202 5043.9009 4078.7869 6657.3325 6609.2974 4079.0068 4297.2700 4630.4028 4477.9897 4494.7261 6350.9019 3908.4624 2730.6218 3793.7327 5036.1279 5644.3975 3837.4558 6426.2739 Erythrose Erythrose 6664.0327 15075.4307 11626.9624 13106.1426 12823.5928 13970.7598 13840.6855 14449.3174 13221.8403 18970.2954 13484.1348 16600.0586 13000.2910 9343.6489 13452.2886 11536.3115 16594.9102 16290.7661 FA 14:0 Myristic acid 31104.3438 25473.0801 21622.9258 66394.2812 41974.7891 33204.5938 23248.5859 29259.4336 29554.4727 104356.7812 110308.9766 127768.3047 25460.4609 25067.6094 23228.0996 43509.5781 34752.2773 56908.3867 FA 16:0 Palmitic acid 627683.3434 572648.2937 785831.5000 550990.1665 716680.0923 402921.9375 724510.7500 607603.8153 871603.2573 510052.7057 969113.4382 779620.4261 640472.6142 589129.2305 610589.1797 306381.6562 559238.6875 946126.1014 FA 16:1 Hexadecenoic acid 71490.2335 93509.0169 98357.6428 93692.8616 94696.9702 106315.0469 89355.6784 77471.6595 84167.7254 93159.1797 99472.7446 83205.5884 95792.6323 88281.8593 93437.8828 98882.5008 90907.5857 97687.4091 FA 17:1 Heptadecenoic acid 85643.1305 111707.8279 120396.0859 113636.2738 114711.9319 113367.7793 112256.6904 97820.6401 102465.7535 105584.7069 115424.6552 102992.8913 111368.7998 103539.4090 113028.6966 114723.6721 113986.2985 115285.2550 FA 18:0 Stearic acid 520742.4084 577811.4375 609066.9590 397057.1360 550907.5881 213139.7719 544576.9315 526232.8125 634082.9238 357364.3750 783570.3107 712961.1875 514286.7773 504088.0614 649385.8102 260958.5236 581014.8857 766336.2356 FA 18:1 Octadecenoic acid 59237.5363 71218.1120 74909.3701 66920.8828 74829.8828 80390.9926 67926.1327 70297.1862 67175.6719 69772.0849 73638.0703 62260.6917 72542.8259 64289.1506 63977.4904 75369.9746 68743.0690 72510.8826 FA 18:2 Octadecadienoic acid 8485.4310 7579.4680 20339.1819 18945.4839 13389.3036 16098.1243 20081.9909 21486.9238 18102.6017 10645.1623 19615.8038 8935.1574 9242.1162 18098.3080 12604.8144 14509.2775 14418.5772 19902.9514 FA 18:3 Octadecatrienoic acid 1243.6260 751.9536 1968.4785 875.6545 17635.9590 11276.2998 10652.9121 9122.2109 10029.2939 11399.3730 2262.6450 1313.8596 679.0239 1424.2972 739.1282 FA 18:4 Octadecatetraenoic acid 1022.0300 927.0498 1262.0618 741.6984 1565.7601 1728.1481 1699.4453 1368.9225 1323.9749 1590.0051 1517.3213 891.0277 811.8262 889.3327 1294.2014 FA 19:0 Nonadecylic acid 1599.1201 2592.8911 2133.2734 3842.8689 1428.0864 1804.5626 2373.0100 2578.1035 2490.4482 3764.3289 2581.8838 2990.7205 2984.2507 2218.6575 2243.1602 2233.2427 2404.8889 FA 20:0 Arachidic acid 9654.6045 10530.7236 10697.0166 11576.6836 11715.4414 10067.0352 10703.9980 12151.3018 7135.2051 15236.5889 13162.3682 12845.4326 9420.8965 10391.7354 7032.8086 10929.7070 13671.7607 FA 20:1 Eicosenoic acid 39993.5240 31424.1865 48115.3692 46518.3916 44591.4114 51461.6764 46119.8583 44640.2611 44040.4325 44894.6948 49401.6428 43821.6810 46572.4464 41819.1055 44095.8111 49840.8372 46043.3046 47606.6953 FA 20:2 Eicosadienoic acid 7115.3283 6913.7596 14204.3903 13690.8956 15446.8076 17429.0430 16366.2500 8850.6728 14610.0178 12800.0514 16285.5713 8325.7267 14945.1431 14151.3496 15211.7549 7267.2428 8027.3768 8462.9353 FA 20:4 Arachidonic acid 2104.9028 2479.5535 2577.7798 1751.4785 1607.9517 53339.2812 51444.2617 34139.8828 32119.8301 27704.0332 42668.5938 2139.8774 3080.5388 2759.0308 3246.8174 1240.7534 3027.0537 FA 21:0 Heneicosylic acid 2244.6885 2352.3232 2003.2921 1556.7047 1788.0865 775.5927 1975.4746 1048.3817 FA 22:0 Behenic acid 3274.7949 5495.5459 4693.2241 7175.8687 5043.0532 6258.5396 5169.1201 4718.4380 5162.5088 8200.2949 5585.0342 4008.4946 5423.0249 4548.5361 1984.1626 5033.3198 6422.4004 FA 22:4 Docosatetraenoic acid 978.6514 1971.9575 2240.1001 1628.3560 1872.4763 898.9561 FA 22:5 Docosapentaenoic acid 13217.5205 15636.0020 10203.5566 11779.0801 11996.8555 FA 23:0 Tricosylic acid 1483.9740 1690.7544 1264.9813 3272.7246 1770.6814 1175.5287 1442.6410 1518.8894 1320.0704 1730.8342 3940.0559 1398.7041 1218.9377 1744.9141 957.6196 1689.6692 1941.6178 2377.8457 FA 24:0 Lignoceric acid 2267.6230 3116.3521 3799.0232 7562.3936 2669.3240 1779.0411 3022.1541 4503.3452 2628.0818 3432.1624 6425.8325 3688.4983 3033.0798 2615.4756 3525.2024 2333.7361 2246.6978 3795.7068 FA 26:1;O2 23428.3497 28062.6465 26146.3027 20830.0801 25573.6484 21088.8984 24030.0195 25892.1738 22628.6172 26921.1445 28690.5000 26982.5059 28022.1309 22770.0137 22366.6133 31807.5410 17046.0137 26091.3552 Fructose 6-Phosphate Fructose 6-phosphate 2620.0002 2508.8882 3010.0901 3359.6160 3391.6943 3008.6201 Glucose Glucose 45693.2245 63339.5195 56347.3118 57460.1817 62235.8637 56718.3672 55220.0391 43792.0164 41159.3945 49679.5937 40047.1384 63699.2752 53622.5352 58381.3555 63751.9427 55901.8607 62149.1519 57913.6680 Glucose 6-Phosphate Glucose 6-phosphate 61887.3359 82217.3984 84051.0156 82325.6562 76924.0547 48245.9297 68571.6328 51879.4805 50945.3320 56146.5312 44959.0703 102905.3984 87382.2812 89111.6953 90180.5156 72733.4297 98117.6875 88089.5703 Glutamic Acid Glutamic acid 931119.6875 1015089.1875 964760.7500 1050516.2500 995319.8125 766064.5625 928666.1875 732835 738022.8750 840952.1250 638258.0625 1075931.5000 803181.7500 1080433.3750 1024919 823519.8750 1121023.7500 1016871.6875 Glutamine Glutamine 77824.5859 84331.0547 85216.8672 88654.3359 93380.7500 79874.5781 74312.1250 62318.2422 61719.8125 64046.6328 65020.7305 97844.3828 76985.5312 87048.2891 102163.0938 80861.6250 113260.7344 91455.4531 Glutathione Glutathione 7349661 7974444 8674090 8244498 8091979.5000 7509199 7077887 6197729.5000 5834245.5000 5318896.5000 4459560.5000 7813606 8252380 8712934 9294874 8095589 8392330 8086687.5000 Glycerophosphoinositol sn-Glycero-3-phosphoinositol 16136.5518 18230.2754 20449.1777 17507.3379 20005.8301 19841.8301 16080.5596 14350.8164 13062.2412 13542.8672 13098.8574 23699.3145 18120.3809 19277.1484 23875.3223 17129.0957 18617.6191 21154.7148 GSSG Oxidized glutathione 307156.3750 486078.8438 355059.0625 436588.7500 431557.9375 313548.1562 424984.8750 370513.3125 391716.2188 480226 422165.4062 531257.8125 392480.7188 431615.0312 414965.5000 394555.6875 540601.9375 241288.0938 Hypoxanthine Hypoxanthine 3840.1289 4966.8843 5099.3076 4261.3003 4890.3379 893.1485 3548.2246 4086.9141 4246.2637 5944.9292 4629.6523 5468.9678 4212.6133 5080.3960 5171.9517 Inosine Inosine 287367.7812 326831.8750 313048.9688 323140.6562 371643.5312 273929.6875 312032.1250 232039.5781 231760.2656 256103 220959.2031 397846.7812 280849.4062 363417.6250 373845.6250 284672.6875 369452.5938 381678.1875 Isoleucine Isoleucine 163652.4219 199162.6562 207018.8125 216129.8125 206937.2031 192895.1562 168982.2188 137334.9375 127043.1562 145009.0156 139216.7969 222480.7344 175000.2188 192798 211029.7344 184672.3750 211722.4844 215896.8125 Lactic Acid Lactic acid 8738631.9902 9803576.5459 9967491.2500 9718561.7402 9870570.7261 9347754.6426 9038309.0156 8250546.3770 7899699.8662 8481405.9639 7884201.5771 10249954.3623 9370750.8682 9825709.9395 10070214.7588 9293102.6719 10096818.1895 9743567.3516 Lactose Lactose 3737.5684 3735.5767 4487.3550 4529.2466 5016.7378 4336.3901 3937.6802 4810.4434 3707.0166 3611.1606 4030.1960 4614.4292 4309.5068 4065.0059 4691.9795 4622.9053 4205.1650 4273.0288 LPE 16:0 LPE 16:0 4489.1748 3799.1323 2851.6438 2628.2283 3176.8232 2815.5200 44566.6016 53217.9336 44302.0391 37480.6641 35204.3242 50003.3906 4590.4980 4926.0215 4099.4893 3434.1287 3718.9302 4445.0015 LPE 16:1 LPE 16:1 5028.5483 5310.1777 5275.0742 4566.1533 3856.9006 5660.2993 LPE 18:0 LPE 18:0 10629.5742 12361.3154 11324.5840 9145.9990 7281.0137 11403.9189 LPE 18:1 LPE 18:1 2522.2747 22615.0957 27475.7461 23181.8262 20927.6680 15341.1309 28021.8047 2889.1113 2681.0371 3126.7993 LPE 18:2 LPE 18:2 10265.3164 9056.1465 8370.1104 9256.2910 6851.6436 11022.3682 LPE 20:3 LPE 20:3 3537.5457 3730.0181 2308.1450 2764.1213 2918.1052 3199.5161 Lysine Lysine 97424.0156 136818.1250 128617.0312 146664.4062 143354.4688 130860.1250 112861.8516 86150.7500 89671.7500 98157.5156 93678.8594 154871.5938 129761.8438 138381.2969 146184.5469 129006.2500 151677.8281 140774.7500 Malic Acid Malic acid 3413038.2500 3938534 3909639 4114458.7500 4226178 3347120.7500 3587967.7500 2980576.7500 2886022.7500 3198138 2748728.5000 4484758.5000 3919248 4421492.5000 4203621 3648985.2500 4537313 3919239.2500 Myo-Inositol Myo-inositol 576858.4688 642512.3057 638676.7412 646662.6885 634618.8350 617438.6553 616173.0068 563982.1646 548649.9443 564880.6499 519530.9580 641102.3398 607726.8213 632059.9600 651398.2549 598875.5215 627935.4258 621793.3047 NADH NADH 163221.7031 191305.5625 213226.5000 239806.6250 222285.2344 222494.0469 78180.2344 99494.7266 89367.7031 88776.6875 80761.9531 241782.6719 153011.6875 212480.9844 229700.2344 175328.3594 234659.5312 235110.7656 O-Phosphoethanolamine Phosphoethanolamine 4617.2803 6567.9365 7335.6113 6181.0845 6614.0376 4502.1182 6396.1411 5219.4604 4889.7319 4356.4058 4101.4312 10586.6758 5810.9839 8271.4199 7452.9727 5756.7339 7258.8613 7489.1196 Ophthalmic Acid Ophthalmic acid 41680.8438 45203.4023 45460.0352 44417 50650.7070 42891.6992 37087.7695 33728.4492 27625.3145 35621.0508 29718.7793 51277.8242 43361.8672 47693.0625 43857.5078 40461.3555 48216.8945 46706.9180 Ornithine Ornithine 6336.5391 9053.4961 8887.7627 7606.3359 7525.3184 8113.5254 7212.1714 6150.8735 6802.4961 6752.7847 6993.1465 8933.9404 7008.3374 7977.6880 8410.0420 7540.2593 8465.8613 9354.6523 Oxoglutaric Acid 2-Oxoglutaric acid 15023.3936 15143.4199 11994.9170 13219.5420 13263.3311 16856.0625 14319.1650 12918.4814 12374.4951 13938.5156 14733.5908 18974.3438 15400.2314 16799.5723 14393.8145 14561.1025 11813.9756 17857.8145 PE 32:0 PE 32:0 1004.0198 3366.6262 1122.0890 2568.5007 1275.4464 1370.4153 4515.4268 1083.5999 PE 32:1 PE 32:1 23643.5742 14633.2988 6019.0942 12283.4365 8809.2080 19595.4492 PE 32:2 PE 32:2 2744.8108 3218.1853 PE 33:1 PE 33:1 5983.6118 4223.2637 4246.0869 4012.2510 5698.0771 PE 33:2 PE 33:2 6987.8867 3609.9326 2509.5024 4176.3760 3579.7563 6903.9507 PE 34:0 PE 34:0 5613.2388 2980.8315 3251.0542 2656.6221 5009.5078 PE 34:1 PE 34:1 25334.1250 12932.0010 7341.1860 11243.6846 8674.4473 20460.7715 PE 34:2 PE 34:2 20670.7520 12329.4521 7661.5972 12947.5127 9826.6279 18874.2031 PE 34:3 PE 34:3 2942.3315 3231.9082 2463.5398 3308.4446 3767.5447 PE 35:1 PE 35:1 2680.0076 2509.6926 PE 35:2 PE 35:2 9177.7246 6922.9951 3924.3123 6971.9043 6793.8633 8766.1289 PE 36:1 PE 36:1 2288.6719 2644.4609 2749.0725 2860.2322 2929.9968 2651.1917 9882.7373 7169.1021 5091.1880 6815.5337 5874.1973 7516.1060 2876.3225 2767.8489 2350.8489 2813.0020 2877.8137 2558.3564 PE 36:2 PE 36:2 53842.3906 34021.1523 19313.5508 32559.5605 30122.3027 47292.9766 PE 36:4 PE 36:4 2484.0105 2348.8477 2858.5327 2516.3611 2459.9431 2159.4814 18117.9609 22086.6777 19239.7109 20424.3848 14065.8135 24547.5117 3249.6187 2595.1003 2965.9089 2204.4058 2822.0557 2871.3137 PE 36:5 PE 36:5 5733.6099 6835.1313 6082.6450 5450.4502 4784.7637 6740.3594 PE 37:4 PE 37:4 6870.6382 7716.8125 5920.1445 6503.8564 6434.0278 6475.7446 34043.6914 41030.3594 37290.5977 35212.1875 28574.9434 47806.1172 9755.2607 8271.3408 8108.5205 6560.1245 6576.3516 8623.2256 PE 38:4 PE 38:4 2101.6404 1914.7059 1977.5869 13064.9805 17437.3477 15634.9043 13945.7783 11731.9600 19373.3281 2895.0356 2591.7686 3023.4419 1907.1505 2515.3601 3084.5022 PE 38:5 PE 38:5 2169.4019 2524.9377 2197.8796 8835.5820 13234.9609 10969.8057 9838.7422 8991.3857 15579.2715 2619.4482 2768.4353 2230.5723 2532.0144 2319.1689 PE 38:6 PE 38:6 5154.5483 5060.3721 6263.8418 5084.1250 5849.0815 5393.3345 44354.4414 57186.0312 50915.0859 47741.6328 39608.7266 65717.9219 8444.4277 6929.0732 10275.7607 4643.7622 6311.2817 6749.9917 PE 38:7 PE 38:7 3649.9639 4837.5986 3804.4929 4096.4409 3033.1282 4670.7959 PE 40:4 PE 40:4 5809.3994 7312.7056 6813.0371 5257.9019 6434.8110 4634.9287 29083.6953 31627.9023 30695.7637 28478.9395 22868.8457 31863.5430 10210.8086 8272.4824 7820.0508 5438.4077 7430.0322 8156.5903 PE 40:6 PE 40:6 2581.7356 10379.6533 10617.0391 9798.4473 8757.7490 6421.8003 11989.4941 2042.0001 2240.7039 PE 40:7 PE 40:7 8317.5469 10177.4746 7914.0112 7634.9185 6174.2900 11495.9541 2394.9717 2290.6541 PE 42:6 PE 42:6 4325.2554 5203.4194 4188.9473 3807.0388 4695.0703 3515.9062 21110.5605 27469.7227 23702.2168 23453.2988 19440.4238 29254.1211 6331.3521 5495.3213 5721.1709 3866.6667 5026.5200 5732.6245 PE O-36:5 PE O-36:5 2659.9519 2332.2551 2599.1362 2898.4175 PE O-38:7 PE O-38:7 2344.9775 2368.9111 Phenylalanine Phenylalanine 355562.5000 400667.6250 413977.5938 420996.8750 424253.6250 346581.0625 384955.8438 291929.2500 300769.2188 326402.5938 277036.1875 524409.5625 357785.7812 448850.1250 433904.3438 357432.2500 427366.7500 421408.9688 PI 32:0 PI 32:0 1467.6578 1654.1143 2027.6047 1906.8887 1813.2341 1529.0763 2655.6060 2464.5322 2342.6931 2346.2236 2541.5437 3117.9951 1816.7935 1856.3789 2091.8418 1357.8086 1698.9780 2432.4131 PI 32:1 PI 32:1 3574.0156 3739.5891 3652.0684 2923.0850 2450.4414 4236.7554 PI 34:0 PI 34:0 1733.5115 586.9687 829.6196 709.8585 545.5796 709.0179 3222.9920 13665.1178 28584.6108 9323.2286 4493.2413 21900.0572 1330.8535 684.0582 1165.9201 570.4596 1651.7815 1159.3514 PI 34:1 PI 34:1 7796.8340 8311.9863 6522.0776 6412.2812 5125.6074 8900.2842 PI 34:2 PI 34:2 2084.6946 2230.8276 2439.5544 2172.1162 2530.2898 1964.9548 10662.3447 8454.7178 8234.8936 8391.9209 6020.5566 9284.0273 2604.0530 2582.3071 2485.4822 2205.2827 2176.8535 3013.2495 Proline Proline 73040.8103 92956.1797 92512.0938 97801.1484 92784.7734 78364.5029 69385.4297 59016.9062 56935.3633 67292.0703 53836.7578 103919.8281 81389.2891 104500.8516 103774.6328 83703 93178.5120 109926.2578 PS 32:0 PS 32:0 928.7635 845.5352 5174.0737 3502.3894 6031.4531 1126.2808 2039.2218 1276.0178 PS 34:0 PS 34:0 4513.6826 3293.7920 4185.0933 3388.5754 4711.8848 2359.3145 162691.5625 62652.6367 68832.5234 80804.3203 111198.4688 180490.0156 7260.3530 8088.2036 4985.6646 3756.0186 5040.7598 4116.5000 PS 34:1 PS 34:1 378.9649 564.8965 496.1053 432.1139 4409.7036 3652.0381 3278.3176 4692.0498 3173.7881 4227.0361 6092.8799 1380.0873 522.6410 428.0023 699.6667 482.8368 1483.8806 PS 38:3 PS 38:3 3483.0330 3541.6077 3194.5642 3337.7314 2767.5374 3644.2144 PS 38:4 PS 38:4 11745.9180 11775.4229 9895.2676 9473.5879 6779.5796 12204.4326 2046.1876 2266.1633 PS 38:5 PS 38:5 3131.0437 3491.0476 3190.8757 3151.8740 2233.5967 3629.7861 PS 38:6 PS 38:6 7076.6567 7488.6245 6547.4712 5583.1011 4752.0142 8006.3179 PS 40:5 PS 40:5 3982.4648 3772.2703 3054.3777 2961.2930 2247.3186 4186.5903 PS 40:6 PS 40:6 11575.8643 10726.8135 9694.4092 9050.7285 6515.3979 12330.2031 PS 40:8 PS 40:8 1212.2540 963.1667 1248.1572 1417.0831 723.5108 947.1143 2050.4846 2697.2439 2814.5681 1616.5541 1771.0059 2090.5000 1024.9697 985.0132 1234.4005 PS 42:10 PS 42:10 1696.2272 1587.0613 1006.3315 1260.2288 1363.0582 981.0870 1599.8036 2786.7563 2494.9841 1749.3914 1867.0221 2256.4756 787.5569 1112.4286 1523.8143 941.7705 963.2327 1356.7487 Pyruvic acid Pyruvic acid 34986.9102 43946.0156 42442.6719 57826.6836 49129.4688 51161.9062 59149.3008 53014.9297 34660.7500 94028.4219 70418.8516 76986.3984 56555.4609 30727.1973 38697.9844 73741.4688 42190.9297 38820.0156 S-Adenosylhomocysteine S-Adenosylhomocysteine 3424.1538 3931.5466 4643.4985 3869.0725 6006.5400 4568.9751 3663.8992 3631.2449 2670.5752 3899.4258 2888.8130 4292.1416 3928.3857 3755.4021 4850.6772 4297.0239 4847.6675 4132.9844 S-Lactoylglutathione S-Lactoylglutathione 8652.7832 7922.5874 8646.1328 8861.0146 8493.0420 9332.8945 8174.9409 6632.4570 5982.3130 6022.2129 4018.6812 10588.3555 7074.5034 9329.7148 9191.1416 8132.5483 10196.3799 10921.6064 Sorbitol Sorbitol 17071.6719 22305.5527 24971.3047 22727.6387 28600.9414 22758.9219 17177.2090 16328.5664 16146.3340 17390.8027 18124.3359 24405.0820 22659.6699 20759.1133 24069.7148 24069.6875 25096.2305 22863.0156 ST 21:3;O5 ST 21:3;O5 11565.9756 9931.9863 11908.8857 10835.7188 16251.7363 9580.5400 201368.4844 208297.6250 189705.6094 160329.2656 119957.4922 165650.5000 11065.1699 12619.5918 11347.7617 11841.1943 15659.2080 14787.1309 ST 21:4;O5 ST 21:4;O5 1837.8850 2339.3262 3037.3591 2698.4436 3134.6953 1435.0748 3714.4932 4891.1470 4890.9390 4913.0146 3131.6357 5689.2168 2803.0400 3799.1201 3977.6140 1963.1429 2794.3457 3562.8906 Stachyose Hydrate Stachyose 1672.0414 804.3112 624.5444 829.1853 879.2346 1646.3268 Succinic Acid Succinic acid 1394349.1250 1648141.3750 1628011 1633489.7500 1777628.8750 1619221.7500 1449613.6250 1224310.5000 1110915.8750 1227330.6250 1126396.6250 1788879.5000 1496287.8750 1735721 1816083.8750 1475805.1250 1868437.1250 1675709.8750 Taurine Taurine 1054569.9194 1335828.1250 1303131.1108 1375355.6250 1251228.1260 1312144.8789 1053821.2417 894282.3198 865408.5640 977368.6631 860337.8252 1512624.9229 1094723.9189 1245095.6948 1364787.7676 1211201.9395 1296325.6201 1373182.7549 Taurodeoxycholic Acid Taurodeoxycholic acid 29224.0391 34444.7695 25682.7324 33837.3320 20639.9961 33185.3555 164735.0469 185053.3906 177444.5000 154506.5469 89451 138491.7188 29461.1562 39979.9570 23976.9004 31605.6816 32755.0059 39137.2812 Taurolithocholic Acid Taurolithocholic acid 2915.9875 5035.4556 5368.8945 4200.9360 4096.3052 1642.7600 51654.4258 74475.9062 66680.1797 65820.0859 38196.0469 64484.5234 4561.6548 7892.0752 5304.2505 3800.4080 5122.2534 6435.7627 Thiosulfuric Acid 131950.1250 108077.0234 114535.8359 128374.7891 158640.2500 188829.3281 117502.7266 216728.2188 78836.1484 101479.0938 110581.9219 136477.2188 137069.4844 118400.7812 123676.3594 129404.4297 142751.9844 126007.3516 Threonine Threonine 181045.8281 211839.1250 203736.7656 208849.4219 216575.5312 189677.0156 189254.8125 152758.9062 161086.3594 161012.2656 147836.8281 251788.9844 199679.9531 217572.2969 221398.3906 180409.9531 245649.1719 224655.2969 Tryptophan Tryptophan 34887.5039 39119.8086 38357.0078 38824.2461 39712.5156 36019.6953 38455.2070 31323.3770 29672.3711 33260.3711 26186.2031 53317.6328 31320.8770 46846.7500 40624.6328 33696.1641 40468.7383 41213.1758 Tyrosine Tyrosine 181439.5156 232142 223539.3438 226019.1094 230914.5469 205886.6094 208723.1719 166852.6875 150440.7812 169694.5938 168944.7812 265436.9375 202638.0625 237905.5000 246031.1094 219577.3125 237155.0625 250809.9062 UDP-Glucose UDP-glucose 310706.4062 327050.8438 353233.1562 360882.1875 353065.5000 321351.3750 297879 229491.4062 220279.8594 247620.6094 191301.0938 401552.4375 315297.9062 372548.8438 375178.9375 290889.4062 418710.2812 356172.3125 UDP-N-Acetylglucosamine UDP-N-acetylglucosamine 28645.3223 31155.0605 32346.0039 31112.5586 33653.9648 28368.4082 32669.9453 22339.7695 19926.4043 21550.9219 18669.5293 39571.8125 27565.5703 36666.4688 35713.1445 29692.7852 32673.9805 34796.3711 UMP UMP 81622.0234 115303.8203 113786.2578 105012.5156 129594.8672 98002.3203 111656.6016 79796.1953 68122.1406 85438.5156 80439.0469 145481.1562 108437.5469 109859.2812 127441.2578 103169.8672 134170.0312 118025 Uric Acid Uric acid 397526.8750 489827.6562 531202.3125 494553.8438 565232.8750 482822.6250 486767.2188 365741.8750 348421.7500 389912.0625 643330.6875 575773.3750 468247.7812 463365.7188 582338.9375 459699.5000 550046.5625 535590 Uridine Uridine 403511.9375 505966.3750 431614.5938 526354.7500 369600.7188 411435.5000 445064.2188 424997.6250 349041.3750 411482.1250 342827.3438 494779 489027.1875 491997.4062 449875.0312 506954.4663 416393.9375 544386.8750 Urocanic Acid Urocanic acid 7427.9365 8366.5547 10155.1562 24111.0645 9755.8477 8772.0361 40285.6680 7283.5820 14099.2031 8633.1787 53770.9766 5879.7637 9533.4814 8802.0283 10689.4277 7859.4321 10539.5391 9469.6367 Valine Valine 207985.0625 232502.4688 255845.7188 280356.7812 270480.2500 261896.6719 232894.4375 201299.4375 180117.8906 204129.1562 179689.2656 301510.2188 238964.2500 271281.7188 287958.2188 247647.2031 285613.4375 286900.1875 Xanthine Xanthine 372118.6562 436898.0938 417704.9062 461685.8750 468445.0625 399841.5938 436021.0625 347041.3125 319161.7188 348239.8750 332141.1875 507397.8125 419655.9688 470409.6875 493197.9375 389470.2500 466649.2500 499022.7500