Metabolite_name RefMet_name Control_AKLA+ Control_AMDI+ Control_BABI+ Control_BACO+ Control_BADA+ Control_CECA+ Control_COMA+ Control_DIEM+ Control_DIMA31+ Control_DOMA+ Control_EMYA+ Control_FAAH+ Control_FAKA+ Control_FAND+ Control_HABA+ Control_HOLE+ Control_IBGA+ Control_KHGU+ Control_MAMB+ Control_MBKH+ Control_MEPA+ Control_MOKE+ Control_NDFA25+ Control_NDGU23+ Control_NGEU+ Control_NZFE+ Control_PAMA+ Control_RAFA+ Control_SAAD+ Control_SAAL+ Control_SACA23+ Control_SADI+ Control_SALL+ Control_SESO+ T2D_BASA+ T2D_CAFA+ T2D_CODI+ T2D_DAFA60+ T2D_DIDA+ T2D_DIFA+ T2D_DIFA37+ T2D_DIKH+ T2D_DSMA+ T2D_FAAS+ T2D_FAOU+ T2D_GUOU+ T2D_GUSA+ T2D_KAAD+ T2D_LEWA+ T2D_MADI52+ T2D_MBPA+ T2D_MOMB+ T2D_NDFA+ T2D_NDMO+ T2D_NDND+ T2D_NDOU+ T2D_NDPA+ T2D_NIIB+ T2D_SADI+ T2D_SAKH+ T2D_SAMO11+ T2D_SASE+ T2D_SODA+ T2D_SOFA+ T2D_THAN+ Factors - Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D 1-Methylxanthine 1-Methylxanthine 3180 14300 7810 13900 8570 61100 103000 12600 25500 22500 7830 75700 59400 3090 187000 20400 17000 114000 13600 3240 35000 88100 3070 4760 5340 149000 59300 126000 57900 7350 529000 69500 37900 70900 9220 13700 31700 175000 79800 11200 25100 51800 20700 43800 188000 331000 2950 26700 68700 450000 71100 36900 31900 41800 8240 33300 102000 139000 33700 127000 20000 271000 50100 96000 2-Aminomucote 8830 3350 8870 20200 23600 5860 10700 7270 3880 15000 9010 6760 11000 5950 14000 3770 7120 8310 8820 17100 45200 16900 26500 13900 6290 10300 7300 4030 9810 52100 36600 16400 12700 5500 127000 9090 5680 6070 3-Methyldioxyindole 3-Methyldioxyindole 13200 6520 25300 11300 6360 6080 10900 10300 16200 12000 11500 12000 17800 7110 24700 17600 29800 11800 10900 28200 9150 4570 10800 11900 25400 16200 22300 15700 27400 8560 19000 11600 9910 6820 8610 68100 112000 38300 6700 9870 49200 28200 6180 16100 12600 21400 11600 28800 25900 16700 24900 38000 65800 27100 25400 24000 24100 15700 24500 11200 10800 8340 14800 19000 3-Sulfino-L-alanine 3-Sulfino-alanine 9700 3890 19300 21800 10400 7450 14100 19100 8550 5770 4160 21900 15800 17200 6630 6070 7260 7940 25900 4290 4960 289000 346000 14800 4520 11400 3430 5310 14000 2250 8550 4900 97300 5030 5080 10600 41200 6180 4-Acetamidobutanoate 4-Acetamidobutanoic acid 78900 86400 107000 102000 293000 85400 178000 242000 98500 72500 202000 117000 84500 188000 82000 4310000 123000 510000 966000 84900 66700 79500 646000 67600 92200 82800 99300 146000 194000 158000 139000 344000 150000 122000 282000 60900 599000 393000 1370000 227000 48000 204000 70100 77900 335000 117000 201000 122000 273000 250000 3700000 280000 141000 414000 136000 211000 167000 3110000 50900 492000 360000 246000 134000 1000000 200000 4-Imidazolone-5-propanoate 4-Imidazolone-5-propionic acid 139000 70600 144000 159000 98700 92900 94600 158000 73000 87400 71100 108000 66400 72200 72300 147000 164000 188000 196000 66700 67300 125000 232000 53300 92000 155000 56100 100000 133000 146000 86300 117000 211000 80800 113000 113000 211000 277000 104000 103000 94000 110000 78800 64100 85700 175000 152000 80500 146000 181000 169000 188000 162000 244000 141000 76800 79700 206000 69100 117000 89000 77600 130000 84700 123000 5-Guanidino-2-oxopentanoate 2-Oxoarginine 17400 3920 14500 16800 7120 3900 1590 27200 13400 5010 19400 8530 4200 15400 2190 11600 4260 49900 4430 12900 2330 11600 4660 4690 20800 7710 26100 5550 8510 11500 32700 6120 17400 36500 21200 42400 2890 4020 1700 23500 12900 42400 14400 23700 8530 39300 25700 114000 20100 5450 3310 56000 9560 10800 18500 17100 6330 33000 5-Hydroxyindoleacetate 5-Hydroxyindoleacetic acid 622000 267000 55100 38600 369000 253000 40200 326000 252000 200000 40600 50000 212000 208000 13200 280000 72900 39100 383000 48000 166000 198000 133000 47300 177000 310000 264000 160000 83600 124000 203000 590000 252000 31300 328000 75800 88500 198000 1730000 2310000 90200 93000 187000 68800 359000 559000 315000 18200 84000 490000 656000 68100 67400 65900 67600 65500 39600 612000 201000 76900 280000 287000 134000 216000 188000 5-Hydroxyisourate 5-Hydroxyisouric acid 176000 171000 155000 233000 130000 153000 59700 114000 224000 196000 99700 256000 143000 286000 192000 91400 118000 117000 198000 71300 235000 174000 68400 197000 70900 178000 83900 161000 74200 202000 96900 104000 110000 345000 80700 57100 179000 97700 94200 125000 146000 126000 221000 266000 182000 67200 75900 151000 273000 199000 131000 97200 39300 165000 111000 125000 193000 169000 101000 94900 156000 160000 109000 5-Oxoproline Pyroglutamic acid 8180000 13500000 3980000 3900000 12300000 9030000 3440000 7560000 11000000 9130000 5400000 2810000 11100000 9500000 3400000 9790000 3580000 2590000 8570000 3190000 8540000 12400000 6230000 3050000 8830000 12000000 12200000 8430000 4020000 8740000 9220000 8970000 9000000 4550000 8950000 2460000 3260000 8550000 11200000 7520000 3220000 5260000 9300000 2580000 11400000 10100000 11500000 3630000 6110000 10700000 11100000 4240000 7840000 4210000 3460000 4510000 4750000 10100000 8970000 2860000 12600000 7770000 6780000 9870000 6190000 8-Methoxykynurete 10000 4500 9940 9890 24600 34600 31200 20200 21400 4800 4570 9630 26500 37000 4350 Acetylcarnitine CAR 2:0 20300000 14600000 18100000 18600000 26200000 25000000 15100000 11500000 18000000 15000000 29700000 13500000 18600000 13100000 18200000 23400000 16000000 11000000 12900000 12800000 12600000 16100000 30800000 35400000 8500000 18900000 23900000 12200000 16600000 24600000 6590000 40700000 17300000 28400000 11900000 12300000 36400000 50300000 18500000 10100000 14200000 19000000 19500000 15300000 9370000 28300000 12200000 18400000 49200000 16800000 26700000 22500000 6530000 19100000 41600000 12400000 31100000 18700000 25600000 26300000 13200000 17100000 28100000 9900000 47900000 Adenine Adenine 80500 134000 316000 51300 149000 138000 19300 83800 97900 87700 9940 14800 69600 85100 74500 88800 22200 212000 173000 23300 98100 121000 56700 24100 73100 79800 98900 73600 25000 62800 67900 166000 129000 20100 71500 35500 29900 60500 111000 86700 25100 80200 24700 111000 165000 108000 24200 74400 76100 150000 35800 25800 83600 39400 47200 102000 96800 42900 178000 118000 130000 99600 56200 Adenosine Adenosine 1580 2530 126000 5510 2580 927 4510 1880 2400 8120 12700 750 2220 5150 1710 4770 14300 2470 4970 3100 1940 11700 2510 2430 2740 2050 1540 4780 4220 1580 1650 3630 7740 2130 9310 7140 2470 2690 4550 5970 5810 1780 6280 5320 1920 1620 7080 8180 2960 2890 6490 11600 10000 12300 2480 3910 12400 2560 1640 8500 1710 5590 Allantoate Allantoic acid 664000 552000 921000 1690000 698000 341000 1370000 537000 540000 440000 1090000 769000 583000 717000 879000 1260000 1670000 610000 672000 1370000 303000 479000 692000 842000 283000 745000 626000 535000 1570000 799000 562000 714000 352000 728000 775000 870000 1660000 755000 911000 409000 1640000 1470000 726000 1200000 642000 738000 683000 948000 501000 467000 1130000 1820000 665000 1310000 614000 2040000 1360000 577000 630000 721000 772000 389000 492000 761000 593000 Anthranilate 2-Aminobenzoic acid 78100 434000 88200 447000 253000 81800 66500 204000 137000 55400 530000 243000 61500 42700 449000 230000 240000 371000 404000 43100 63500 1660000 264000 112000 80000 325000 201000 306000 422000 38300 1190000 224000 720000 230000 446000 652000 287000 617000 254000 127000 250000 63800 446000 335000 619000 2530000 112000 251000 213000 1230000 475000 260000 3140000 3490000 194000 282000 890000 211000 385000 503000 189000 363000 835000 304000 Arachidonyl carnitine CAR 20:4 656 350 544 1080 346 1450 303 1650 Arachidyl carnitine CAR 20:0 1490 565 303 343 742 1690 284 449 464 249 1050 347 454 308 886 2020 366 312 445 976 448 394 515 450 257 282 496 654 539 243 671 269 331 1350 895 1160 Asymmetric dimethyl arginine Dimethylarginine 687000 542000 647000 787000 657000 661000 700000 471000 660000 571000 1080000 710000 587000 592000 512000 864000 874000 725000 566000 552000 383000 391000 883000 807000 479000 688000 660000 491000 1230000 852000 464000 704000 558000 1130000 748000 1010000 1200000 1210000 612000 399000 1220000 827000 485000 813000 522000 464000 605000 786000 874000 700000 1020000 1130000 962000 1380000 798000 1030000 642000 906000 543000 1030000 622000 431000 825000 578000 554000 Bilirubin Bilirubin 95200 97000 93200 500000 46700 84600 290000 27800 71900 51500 127000 546000 97900 147000 113000 212000 341000 239000 143000 344000 21000 23500 122000 271000 98600 59600 32700 34400 216000 164000 6290 200000 121000 252000 84600 221000 246000 244000 25600 42400 745000 439000 36100 621000 35000 3830 63400 401000 130000 44900 25800 586000 251000 25900 194000 107000 622000 12000 37700 134000 83800 133000 47100 53400 181000 Biliverdin Biliverdin 3200 5770 5290 21300 3110 9520 16200 1750 7780 3390 5760 38300 5180 9820 7140 10200 17600 11300 7790 16500 950 3700 5940 13500 10900 5260 3420 10300 10100 1450 11000 13700 15300 10500 13100 18100 42600 2570 1780 49500 24100 2150 39900 4980 6560 2340 23200 10600 1010 7060 21900 19400 1640 45500 7130 49200 723 5340 7170 4030 7810 9230 5260 23400 Butyrylcarnitine CAR 4:0 160000 42400 1010000 663000 59200 59400 700000 104000 79700 70600 620000 433000 77400 54500 351000 75600 380000 564000 111000 670000 28300 64200 283000 657000 30100 104000 65200 87700 751000 312000 110000 197000 23300 575000 157000 980000 1300000 850000 227000 35300 1030000 603000 120000 623000 55100 170000 107000 753000 552000 146000 117000 906000 101000 3850000 351000 849000 1160000 455000 115000 1660000 43300 80700 236000 49500 696000 Caffeine Caffeine 32200 298000 2130000 432000 140000 2180000 1430000 2920000 161000 813000 365000 342000 2030000 860000 81900 5200000 1610000 1200000 1170000 17700000 87500 161000 4550000 157000 51000 57800 8100000 2100000 16100000 9260000 58500 7680000 16300000 1330000 2460000 39700000 10200000 2530000 4270000 4850000 356000 3450000 1860000 390000 862000 6830000 4500000 119000 2920000 357000 4820000 3900000 3040000 878000 5600000 699000 6650000 1570000 1510000 2740000 2020000 96000 21800000 507000 26000000 Carnosine Carnosine 21000 19600 24300 32500 35200 10500 7680 68500 25700 18800 99200 33800 69300 21800 6860 12400 19000 14600 31700 32800 85700 24900 10500 6060 7510 17500 45500 9840 26900 29100 145000 175000 61200 17700 41800 74600 23800 Cervonyl carnitine CAR 22:6 648 1030 4990 4070 1530 800 8700 296 241 576 8790 3960 360 255 1690 282 1690 3900 513 2650 1100 1110 2270 13800 1150 287 3880 1750 528 965 932 6610 344 2410 23300 5540 992 267 9260 4150 442 11200 1280 1690 1600 5960 5300 947 3140 4300 4610 6560 7060 11200 7420 724 1140 5580 503 331 2020 657 2290 Creatine Creatine 42800000 31800000 28600000 7420000 34800000 11700000 34500000 40200000 9320000 15900000 19500000 9040000 15900000 30000000 28700000 27000000 15100000 22800000 49300000 21200000 13500000 8680000 11400000 7690000 14900000 9190000 34600000 9270000 12500000 14200000 22600000 18000000 21000000 32300000 15000000 27200000 16400000 58400000 26900000 25800000 38400000 31300000 12600000 18800000 31300000 21600000 16300000 42300000 41800000 66600000 22600000 27000000 38700000 15200000 52700000 39600000 18000000 9200000 19100000 40100000 12200000 37600000 32900000 11300000 21600000 Creatinine Creatinine 38400000 25600000 37000000 43400000 31000000 43000000 28200000 27100000 39900000 27600000 34200000 26800000 27000000 31200000 19300000 47200000 53800000 31500000 34900000 42300000 23200000 26300000 50800000 31300000 20500000 38700000 30100000 32300000 59300000 87800000 15900000 40400000 25300000 49500000 46500000 39500000 51800000 63700000 29500000 24200000 35900000 36900000 21300000 26800000 28100000 27600000 59600000 21900000 47300000 39500000 81100000 64600000 44700000 167000000 44100000 31200000 49100000 74700000 25900000 53300000 28100000 29200000 63100000 26100000 40900000 Decanoylcarnitine CAR 10:0 113000 110000 1090000 1620000 216000 563000 529000 95900 676000 119000 2590000 2550000 110000 80000 319000 335000 504000 147000 103000 494000 54700 2250000 594000 3010000 56800 272000 42700 118000 785000 2070000 40800 519000 376000 1240000 132000 933000 1380000 1780000 164000 213000 885000 1260000 312000 1190000 580000 171000 221000 1030000 1020000 101000 433000 1250000 893000 700000 952000 723000 618000 160000 251000 2250000 98800 256000 596000 302000 980000 D-Glucosamine Glucosamine 145000 52200 2830 16200 40500 18300 33000 65800 116000 134000 80200 20300 23900 2220 21800 28400 2950 63400 14300 26200 922 29200 74600 96200 176000 5430 4200 57900 38200 29200 905 68700 3200 1570 41000 45000 2960 2150 124000 85300 74300 79200 1290 3070 91700 147000 13800 9080 5630 4250 2510 41500 165000 9230 42400 24700 60000 176000 19200 Diethanolamine Diethanolamine 48100 42600 97700 137000 22600 62400 106000 42100 37000 73900 63100 96800 40900 47100 83100 49800 76600 108000 52000 51100 56300 15200 109000 88600 36800 51900 46500 67500 154000 66900 30900 65800 39300 83900 68800 217000 253000 162000 71800 42600 80900 67600 54100 65600 79500 35700 100000 98900 70500 64300 70000 144000 39100 326000 85700 94900 110000 200000 35800 165000 35600 45600 50500 46300 48800 Dimethylglycine Dimethylglycine 2710000 2470000 1620000 1100000 3500000 2140000 1770000 1640000 1880000 1170000 2650000 1020000 1900000 2000000 1950000 3020000 3620000 890000 2300000 2000000 1770000 1880000 1760000 2410000 1260000 2060000 1290000 1140000 1360000 1880000 1380000 3190000 2160000 2000000 3330000 921000 2240000 3960000 2080000 1810000 1520000 2410000 1460000 1550000 2270000 1630000 3200000 1210000 2710000 3060000 1700000 2000000 2620000 2480000 5270000 2000000 2640000 1620000 1780000 4740000 2920000 2630000 2580000 2690000 1990000 Dimethylheptanoyl carnitine CAR 7:0;2Me,6Me 63800 88600 382000 828000 42500 84200 446000 81000 143000 95600 496000 344000 23800 29200 82900 95000 652000 359000 27500 980000 11000 47900 69500 255000 16800 71700 22100 118000 464000 657000 17300 57600 73200 192000 40300 161000 355000 488000 44100 33600 590000 146000 27300 574000 43000 59700 134000 177000 154000 89200 78300 543000 126000 1680000 94300 393000 297000 116000 35000 360000 31000 38200 87600 36600 112000 Dimethylnonoyl carnitine 1130 12100 11800 26400 11100 13300 19700 8470 7280 4290 54100 32900 4260 9760 9420 9810 69500 14800 8930 55400 4710 13700 7760 25000 7840 6550 8460 8820 23500 66600 10400 15000 11200 426 11400 13200 36100 4800 8420 55400 14500 9390 39900 10300 7580 10500 6730 9120 18500 9960 16500 11900 7680 9690 4680 8870 17200 11600 12000 5260 5910 11700 Dodecanoylcarnitine CAR 12:0 15700 10400 98200 152000 15000 29200 49600 7970 36200 11000 193000 160000 12100 7060 36700 28200 50300 31700 6590 62700 6910 97600 76900 287000 4830 27300 5850 9320 110000 102000 5730 78200 21700 61800 16400 120000 169000 78200 16400 10500 72900 66500 28600 83500 26600 15700 18000 65000 92800 7750 27900 129000 47000 42500 68600 67700 42300 13700 26000 144000 6350 13100 39400 13700 65600 Dodecenoylcarnitine CAR 12:1 12000 4890 30800 66800 9730 22100 21000 3630 13100 8400 60800 91400 7020 2790 24100 18900 27100 17700 2160 25700 6540 99700 51500 132000 3910 13100 4220 3690 28000 23800 1320 33700 17100 37300 8400 15800 137000 50400 5580 5290 25000 23000 13200 58700 7480 6920 8120 19800 35100 3510 10100 36500 15500 20000 23200 26600 22000 4440 7740 46300 5770 13100 15900 5440 25700 Gamma-linolenyl carnitine gamma-Linolenyl carnitine 1160 1400 4610 8740 587 2060 2400 339 898 323 12400 5290 1380 839 1210 1890 2030 3460 548 6320 1120 1890 7240 359 2310 1070 10500 1090 324 2630 1580 2760 673 5450 13000 10200 318 12900 2540 266 23500 232 2180 272 4440 3530 577 1480 4080 2220 9100 5450 4740 11900 306 229 6520 3580 1220 2860 261 2430 glycine Glycine 1740000 1440000 929000 1100000 1460000 1680000 1070000 1570000 1600000 1560000 1060000 1010000 1670000 1660000 1250000 1550000 804000 1060000 1780000 1210000 1350000 1620000 1550000 834000 1060000 1470000 2220000 1790000 1190000 1000000 1550000 1240000 1330000 1090000 1380000 1030000 763000 1110000 1700000 1030000 977000 935000 1600000 674000 1480000 1290000 1390000 1080000 1050000 2060000 1500000 1050000 1160000 898000 907000 1270000 1120000 1390000 1660000 747000 1360000 2270000 1400000 1480000 993000 g-Oxalo-crotote 110000 62700 282000 22100 102000 133000 183000 27100 98500 51200 328000 182000 6150 94200 4590 117000 82300 317000 2030 236000 134000 9070 312000 295000 63700 34900 217000 18100 247000 527000 80300 11500 105000 737000 314000 73500 202000 846000 167000 77900 209000 255000 12900 5340 29700 3260000 95600 196000 769000 20000 1990000 47300 835000 764000 1200000 1500000 6790000 7630 51100 248000 3720 83300 9000000 70400 1090000 Heptadecanoyl carnitine CAR 17:0 326 289 1350 802 223 427 2320 394 297 706 299 358 434 272 812 349 380 282 1600 1050 331 289 586 240 250 880 2180 938 905 401 455 229 945 403 620 252 263 372 276 506 2420 420 1740 1520 346 4390 266 1980 2390 Hexadecadienoylcarnitine CAR 16:2 1430 1090 6540 14200 1820 4370 4150 778 2770 1940 12800 11000 385 255 2410 3840 2820 6150 2190 9090 1070 13200 5210 27000 370 1710 735 274 7490 4730 313 10100 2590 4580 1690 5320 45000 10300 1580 292 11000 7210 1280 13800 345 3270 1060 6960 8490 1120 2500 6660 2860 6250 5400 4110 15000 336 1180 11800 1230 2500 4310 528 5260 Hexadecenoylcarnitine CAR 16:0 4330 4100 17900 35400 2680 7350 12500 1620 5080 3430 23800 15700 4420 4030 29000 8760 21000 30400 2800 12400 3570 8880 30500 41800 3380 5100 5080 1410 24500 6100 2810 10200 6360 17200 2930 17700 50100 27000 2670 2110 22900 12200 4560 36100 2850 5150 4750 18600 16600 1910 8560 25400 19200 16700 17000 10000 18300 2670 4980 27200 3640 3210 7150 2990 13800 Hexanoylcarnitine CAR 6:0 181000 111000 773000 1380000 127000 295000 232000 103000 410000 144000 1380000 735000 138000 102000 360000 263000 303000 208000 101000 476000 97800 877000 609000 1510000 69200 224000 97200 91600 459000 1280000 45500 242000 192000 794000 172000 515000 1080000 1080000 125000 120000 462000 577000 242000 482000 324000 152000 155000 633000 532000 104000 217000 732000 326000 887000 606000 411000 671000 152000 216000 831000 86600 144000 455000 123000 398000 Hexenoylcarnitine CAR 6:1 10900 8750 63300 82700 8100 29500 42000 11000 14300 19200 77400 65000 17700 10700 31000 36400 60700 44600 6080 73900 9830 25600 35000 129000 12800 13800 16800 5970 94800 63300 12300 53100 16000 58600 17500 54900 250000 104000 14500 13600 69300 50300 18500 82000 12300 48700 55500 55900 40700 22400 26200 36400 36000 247000 53500 82800 109000 20200 17400 188000 13400 110000 28700 4710 34900 Hydroxydecanoyl carnitine CAR 10:0;OH 121000 53900 593000 2630000 116000 181000 587000 98600 141000 97100 548000 957000 90900 59400 318000 287000 483000 221000 50400 784000 14900 143000 401000 1870000 28700 155000 29700 113000 973000 605000 24700 318000 94600 419000 133000 398000 1210000 933000 112000 86000 698000 574000 94400 581000 141000 123000 159000 543000 702000 68200 147000 1510000 452000 873000 273000 1280000 648000 79900 173000 2830000 38600 105000 451000 65300 546000 Hydroxydodecanoyl carnitine CAR 12:0;OH 3700 3910 22800 29100 7600 14000 33300 3070 9470 3090 25800 32500 1230 4400 14600 30000 5790 1900 17300 3660 15500 6090 76500 1240 5500 1740 1480 43800 25000 8370 23700 6680 18100 4400 26000 95400 46200 9530 4950 38900 35500 7250 40400 6470 6520 18700 28100 36100 3140 7980 48200 24600 33000 22600 30400 29400 5300 2320 107000 1680 2250 12900 3260 25500 Hydroxyhexadecanoyl carnitine CAR 16:0;OH 799 446 236 861 275 461 298 454 1010 279 800 1760 235 411 246 266 245 259 957 3480 1100 483 201 728 842 202 612 287 874 1430 1070 1440 975 828 400 1240 2580 252 1130 Hydroxyhexadecenoylcarnitine CAR 16:1;OH 1390 1240 263 370 1150 1050 1710 1410 294 219 777 296 434 3240 323 2050 996 1070 903 251 927 1390 6280 2020 344 1120 1570 277 1810 416 341 1490 1880 2480 899 2050 920 783 2970 301 2950 243 239 1120 Hydroxyoctadecenoylcarnitine CAR 18:1;OH 855 258 417 379 408 504 831 238 2120 407 298 403 651 2940 1170 239 419 331 967 308 1060 658 768 619 1850 2710 247 777 Hydroxyoctanoyl carnitine CAR 8:0;OH 201000 60800 582000 1650000 202000 214000 387000 121000 213000 175000 451000 605000 77100 94300 295000 269000 528000 180000 61700 696000 42800 138000 329000 1510000 50600 224000 65100 105000 778000 674000 27900 330000 122000 478000 169000 274000 1250000 802000 127000 95600 516000 452000 136000 457000 156000 173000 193000 479000 674000 90600 170000 1180000 329000 675000 215000 685000 581000 122000 160000 1920000 53900 110000 355000 104000 435000 Hydroxytetradecanoyl carnitine CAR 14:0;OH 1170 646 3470 4850 456 1510 3780 319 1770 297 1850 3160 422 569 2170 1060 4080 835 283 5040 297 331 1680 6770 279 1620 612 355 6290 1870 272 2050 574 2940 1660 2950 6090 6260 1910 372 4470 4180 826 4640 1220 1020 1050 3850 4640 239 485 7080 3110 4490 3740 4380 6760 806 1530 10500 497 393 1620 876 5230 Hydroxytetradecenoylcarnitine CAR 14:1;OH 1140 1230 2920 6030 1190 2770 3420 1140 1980 728 8460 4550 448 327 1690 3480 3080 2800 808 26000 607 2770 2710 13900 377 1290 328 287 4250 2050 8460 5340 1570 3060 1300 2000 34300 12400 1460 10000 3050 532 9990 978 1460 1600 3080 4620 459 1440 11700 3630 4170 3480 11300 4050 2650 2730 14900 1050 887 2480 1010 4560 Hydroxyundecanoyl carnitine CAR 10:0;OH 18300 10700 18300 26800 17300 10100 22200 7720 6670 6550 20200 15200 20400 7790 9360 8090 24400 19400 11000 42300 13400 13900 10200 30400 22000 12500 12900 13800 29000 7440 13300 15200 17800 16700 19900 12900 26300 16700 10400 10400 12500 16800 15900 34300 7600 7510 16200 19100 5970 10800 14600 19500 9940 91900 18400 22500 30600 15200 8030 27100 16300 15300 14600 6860 17900 Hypotaurine Hypotaurine 6790 6940 7890 7110 27500 6350 8680 22300 18700 28500 17000 32000 39700 18900 33000 4660 8430 5450 6370 7440 Hypoxanthine Hypoxanthine 1780000 703000 1950000 314000 1370000 1400000 849000 437000 1330000 661000 1170000 713000 158000 874000 132000 1190000 370000 3150000 163000 1450000 1670000 166000 2270000 1170000 716000 607000 1990000 236000 2480000 1830000 840000 357000 1290000 1640000 2860000 347000 711000 1940000 2110000 961000 1180000 1850000 212000 81900 429000 39500000 954000 1010000 1900000 383000 15900000 485000 1260000 3230000 2130000 10700000 23600000 331000 681000 941000 178000 1000000 26900000 563000 3290000 Indole Indole 1080000 865000 2560000 1330000 1130000 1250000 2210000 777000 1120000 1190000 2120000 2440000 888000 1090000 710000 1900000 2460000 1210000 1050000 2390000 361000 910000 1640000 2230000 1060000 1460000 973000 452000 2420000 2660000 2260000 1300000 1340000 4420000 1810000 3600000 1490000 4340000 1480000 923000 3580000 3240000 494000 3900000 995000 1720000 1060000 2070000 1910000 720000 1990000 1920000 1230000 5890000 2270000 3670000 3090000 767000 874000 2600000 1100000 1160000 2240000 779000 3670000 Indole-3-acetate Indoleacetic acid 107000 95600 211000 182000 83400 76300 357000 79200 75000 105000 378000 307000 23200 215000 138000 173000 593000 352000 127000 2090000 29700 25600 222000 252000 586000 112000 300000 53000 1040000 192000 46700 136000 73000 217000 292000 1710000 575000 641000 114000 84100 279000 521000 22700 509000 106000 108000 212000 182000 311000 92500 322000 369000 2590000 1060000 197000 259000 522000 161000 67200 473000 115000 39300 75700 54400 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1020000 306000 31900 97900 279000 30200 6450 254000 21200 234000 Spermine Spermine 4110 149000 257000 2990 114000 8770 10000 190000 153000 4960 3050 83900 15100 146000 167000 3800 218000 95200 114000 14500 10900 3960 352000 45600 126000 8090 197000 88500 138000 185000 154000 6860 171000 8310 183000 77400 5400 6760 260000 165000 216000 41800 512000 218000 3660 181000 52400 126000 Sphingosine Sphingosine 2530 4510 18600 9410 3140 5290 16300 2330 4710 2580 17600 12400 2230 3160 4930 5410 21000 8250 3670 14800 1450 2320 3220 18300 3840 5020 2930 1910 32400 7680 3870 6110 3300 14800 4680 21300 24700 17300 4200 4070 18900 23100 2140 29000 3590 3660 5280 23400 48500 1770 5420 21400 10600 22800 14000 19300 28100 4370 3350 35300 3730 2560 7430 4520 16400 Stearidonyl carnitine 300 441 754 817 1730 516 1080 533 1830 378 276 368 2690 987 1190 1360 261 1420 1040 295 528 518 1650 966 1440 548 1480 287 615 Stearoylcarnitine CAR 18:0 1910 3850 1640 3960 1680 20800 12000 1350 528 1220 8350 30200 9540 2630 23100 893 5050 14900 6100 9900 4950 5480 10200 5390 4890 17000 1200 2750 6550 4070 2200 14300 3470 2240 3460 13800 22000 20100 1190 11100 10400 8970 2870 18000 4840 9090 2330 2420 1450 1740 4950 1570 14100 20500 2710 5770 12600 2010 26000 2980 32700 26800 4970 11500 13800 Taurine Taurine 347000 365000 16900 33100 223000 278000 46500 360000 373000 273000 75800 36100 612000 536000 30100 340000 54500 168000 458000 21400 427000 354000 200000 45000 218000 424000 475000 366000 65000 145000 204000 380000 489000 93900 275000 99600 335000 188000 729000 842000 87700 142000 537000 79800 589000 1400000 580000 60600 608000 320000 702000 65000 223000 134000 265000 171000 198000 539000 312000 190000 254000 221000 627000 621000 268000 Tetracosatetraenoyl carnitine 255 1720 3580 771 462 1700 3050 318 311 296 3690 262 256 646 546 2750 1390 3460 Tetradecanoylcarnitine CAR 14:0 3000 3650 20100 22900 4640 5640 16400 1820 5300 3460 40400 18800 3190 3680 7600 6740 17700 14100 3450 16800 2600 9410 8650 56100 1930 5490 5130 1690 27500 12200 2270 12300 5720 15600 3890 44300 56300 23500 5060 2200 26200 15800 5290 26200 3660 6610 5230 14900 20600 2960 6020 34800 14600 19300 21900 14200 26700 1820 4400 27400 3880 1920 11100 3930 19600 Tetradecenoylcarnitine CAR 14:1 14000 9140 71900 157000 15800 29700 51300 7510 27300 10300 83100 147000 13000 4190 25200 35900 44200 39300 7060 46800 11800 92100 48500 308000 6430 23900 6680 4420 94100 76400 8010 62700 18000 58500 14200 28500 299000 63900 12300 10700 54100 50500 19200 108000 17900 14100 14300 49900 91400 8390 21500 86700 33800 40800 42300 57800 41100 11400 22400 109000 8900 12000 28200 11800 44300 Theobromine Theobromine 10900 511000 1590000 898000 178000 1800000 2230000 4360000 264000 762000 1060000 416000 2170000 1300000 64500 4020000 2490000 2250000 2340000 4020000 93200 215000 6480000 32800 23700 59700 8990000 1740000 21000000 5600000 55900 9650000 5370000 3140000 2250000 10100000 7040000 3190000 6030000 5610000 882000 5170000 2820000 795000 1110000 5730000 7760000 93500 4940000 985000 9290000 5080000 1470000 1400000 2870000 913000 6920000 2160000 3500000 4660000 3450000 265000 21100000 1220000 13200000 Tiglylcarnitine CAR 4:1;2Me 42900 43700 95900 37200 50000 36000 81700 37600 50300 52700 78100 23900 47400 45200 38600 59900 94600 64800 45300 155000 39900 38400 50300 86100 52200 38800 55600 36700 129000 29800 40500 47100 36600 66500 64800 89300 184000 221000 34900 41100 179000 148000 47300 51400 58700 45300 47100 77200 90200 50700 76300 278000 31100 418000 167000 268000 183000 68500 53400 572000 38000 95700 77000 42900 105000 trans-4-Hydroxy-L-proline trans-4-Hydroxyproline 719000 847000 509000 284000 723000 982000 349000 2010000 606000 541000 713000 406000 715000 495000 620000 839000 797000 258000 785000 1430000 314000 1110000 555000 452000 614000 589000 586000 537000 452000 1130000 2380000 1020000 638000 532000 455000 115000 617000 389000 861000 674000 310000 383000 470000 356000 704000 493000 1990000 184000 669000 1440000 999000 311000 712000 944000 310000 468000 727000 1510000 1870000 524000 917000 875000 578000 954000 441000 Triethanolamine Triethanolamine 15400 26900 35700 16500 19700 39300 11700 22100 47300 86100 4660 30700 26700 13500 47400 13500 26600 15500 8090 46600 21300 154000 18700 34000 59900 56700 28900 37300 28400 8790 4160 12500 31100 13900 23900 14600 11400 22900 20600 5410 60200 61500 25000 17300 14000 5240 35700 20200 14800 65200 11900 12600 11100 18500 23400 42600 14100 37800 9670 12300 trimethylamineoxide Trimethylamine N-oxide 5090000 4410000 25800000 19500000 1530000 916000 18600000 1960000 1080000 883000 2640000 14200000 1600000 924000 4120000 1860000 20900000 5240000 9130000 5990000 616000 1160000 3370000 8280000 1240000 594000 1060000 1680000 4230000 2650000 1290000 7090000 1730000 11200000 1990000 4940000 22400000 6230000 2020000 715000 8550000 11000000 1630000 18700000 943000 1790000 35400000 2620000 6530000 10100000 4690000 10100000 8910000 129000000 3780000 41400000 14700000 8140000 6410000 75800000 4400000 1460000 3000000 1320000 4460000 Valerylcarnitine CAR 5:0 594000 331000 1970000 1380000 401000 307000 1760000 321000 395000 249000 2620000 1280000 238000 271000 373000 426000 1300000 946000 600000 2930000 153000 235000 629000 989000 328000 339000 375000 343000 2890000 2360000 252000 642000 261000 630000 609000 1910000 2680000 2780000 916000 195000 2450000 1950000 406000 3790000 201000 434000 435000 2320000 1600000 506000 1210000 2720000 495000 4390000 1680000 1820000 2330000 467000 456000 4880000 312000 370000 899000 286000 1970000 Xanthine Xanthine 190000 202000 113000 64700 87400 175000 246000 211000 131000 133000 256000 179000 102000 171000 88700 509000 231000 59100 76100 133000 142000 166000 139000 260000 189000 168000 89600 37600 115000 161000 116000 313000 190000 173000 306000 481000 127000 346000 123000 133000 85900 155000 125000 272000 229000 207000 131000 154000 407000 139000 152000 295000 359000 172000 442000 281000 332000 71600 85300 120000 126000 224000 156000 154000 390000