metabolite_name NP_220 NP_221 NP_222 NP_225 NP_226 NP_227 LD10_200 LD10_204 LD10_213 LD10_236 LD10_237 LD10_240 I2_17 I2_31 I2_34 I2_39 I2_224 I2_229 I4_13 I4_15 I4_18 I4_202 I4_211 I4_215 I6_201 I6_209 I6_216 I6_218 I6_230 I6_232 I8_14 I8_98b I8_99b I8_101b R4_203 R4_214 R4_232 R4_239 R4_243 AMP 2050000.00 15600000.00 25300000.00 2900000.00 28700000.00 19200000.00 21200000.00 25100000.00 11400000.00 30500000.00 20000000.00 20000000.00 20200000.00 21400000.00 14300000.00 17700000.00 15500000.00 15500000.00 16100000.00 12600000.00 24800000.00 21000000.00 20700000.00 25700000.00 20800000.00 18400000.00 14800000.00 5950000.00 15800000.00 26700000.00 25300000.00 23500000.00 18400000.00 31500000.00 32900000.00 18300000.00 13800000.00 26200000.00 22300000.00 4-Pyridoxate 61300.00 57300.00 101000.00 6160.00 116000.00 160000.00 249000.00 223000.00 151000.00 446000.00 103000.00 103000.00 82700.00 52800.00 52900.00 70700.00 67200.00 67200.00 25700.00 46600.00 75100.00 84600.00 152000.00 80700.00 97500.00 80000.00 66700.00 22000.00 54400.00 87100.00 83400.00 104000.00 71300.00 129000.00 88500.00 92000.00 30200.00 127000.00 42000.00 Diphosphate 124000.00 9800000.00 12100000.00 309000.00 14500000.00 8250000.00 15800000.00 17400000.00 4880000.00 27900000.00 19400000.00 19400000.00 17300000.00 7540000.00 9250000.00 13500000.00 14000000.00 14000000.00 10200000.00 8520000.00 6530000.00 16400000.00 21300000.00 20100000.00 13500000.00 10200000.00 6750000.00 1390000.00 6890000.00 16300000.00 14400000.00 19500000.00 12600000.00 25600000.00 17300000.00 12800000.00 5830000.00 15100000.00 8920000.00 D-Glucose 8040000.00 25200000.00 23900000.00 11200000.00 27500000.00 28500000.00 34500000.00 32500000.00 25100000.00 38100000.00 24900000.00 24900000.00 29800000.00 21600000.00 19500000.00 25800000.00 19700000.00 19700000.00 26200000.00 26000000.00 28200000.00 24500000.00 33300000.00 33900000.00 34100000.00 33100000.00 25800000.00 17200000.00 23100000.00 29000000.00 25700000.00 31500000.00 24900000.00 31300000.00 24400000.00 22700000.00 21500000.00 28100000.00 23200000.00 D-Glucose 6-phosphate 1040000.00 9900000.00 10700000.00 2290000.00 20600000.00 10300000.00 19500000.00 20900000.00 10300000.00 31400000.00 20300000.00 20300000.00 22300000.00 11300000.00 16100000.00 19900000.00 21900000.00 21900000.00 17000000.00 16900000.00 29200000.00 18000000.00 31200000.00 20700000.00 21900000.00 26300000.00 14300000.00 5140000.00 13800000.00 25800000.00 28500000.00 23100000.00 19700000.00 35400000.00 26200000.00 14600000.00 11400000.00 24000000.00 21100000.00 D-Glyceraldehyde 3-phosphate/Glycerone phosphate 219000.00 750000.00 909000.00 220000.00 777000.00 384000.00 906000.00 590000.00 715000.00 916000.00 590000.00 590000.00 841000.00 387000.00 668000.00 659000.00 704000.00 704000.00 424000.00 351000.00 799000.00 606000.00 930000.00 555000.00 887000.00 1090000.00 729000.00 265000.00 546000.00 749000.00 1050000.00 1470000.00 1180000.00 921000.00 1080000.00 1160000.00 374000.00 1010000.00 769000.00 2/3-Phospho-D-glycerate 39200.00 103000.00 270000.00 29600.00 228000.00 184000.00 376000.00 324000.00 58900.00 656000.00 256000.00 256000.00 149000.00 187000.00 118000.00 122000.00 110000.00 110000.00 287000.00 192000.00 120000.00 218000.00 221000.00 197000.00 352000.00 274000.00 274000.00 64100.00 141000.00 242000.00 295000.00 168000.00 162000.00 438000.00 616000.00 77900.00 204000.00 540000.00 309000.00 Pyruvate 1370000.00 1820000.00 1930000.00 1460000.00 1860000.00 2100000.00 2220000.00 2240000.00 1780000.00 2240000.00 1860000.00 1860000.00 2050000.00 1770000.00 1680000.00 1860000.00 1470000.00 1470000.00 1790000.00 1910000.00 1890000.00 2030000.00 2190000.00 2230000.00 2230000.00 2380000.00 1730000.00 1580000.00 1610000.00 1970000.00 1670000.00 2070000.00 1510000.00 1830000.00 1830000.00 1570000.00 1700000.00 1940000.00 1720000.00 Lactate 9200000.00 49400000.00 63200000.00 12000000.00 62200000.00 59700000.00 73100000.00 73800000.00 47700000.00 86000000.00 59300000.00 59300000.00 60800000.00 41900000.00 42800000.00 47900000.00 41600000.00 41600000.00 41300000.00 39100000.00 38800000.00 45300000.00 58200000.00 58900000.00 52700000.00 58900000.00 45500000.00 21700000.00 41400000.00 55800000.00 54200000.00 55300000.00 60800000.00 61200000.00 75700000.00 48900000.00 43700000.00 79800000.00 51700000.00 Maltose 96000.00 758000.00 206000.00 148000.00 603000.00 947000.00 1540000.00 1440000.00 1540000.00 1230000.00 755000.00 755000.00 1080000.00 139000.00 536000.00 734000.00 597000.00 597000.00 571000.00 595000.00 18900.00 695000.00 964000.00 816000.00 1530000.00 1240000.00 680000.00 539000.00 693000.00 1090000.00 894000.00 1290000.00 1110000.00 1090000.00 940000.00 972000.00 639000.00 873000.00 674000.00 Maltotriose 2720.00 134000.00 36200.00 36900.00 133000.00 148000.00 231000.00 236000.00 238000.00 209000.00 147000.00 147000.00 149000.00 16100.00 88600.00 117000.00 91000.00 91000.00 67700.00 103000.00 0.00 134000.00 165000.00 169000.00 263000.00 298000.00 143000.00 79400.00 109000.00 265000.00 151000.00 245000.00 220000.00 203000.00 182000.00 210000.00 145000.00 182000.00 146000.00 Mannitol 99300.00 167000.00 145000.00 86700.00 158000.00 179000.00 207000.00 188000.00 206000.00 266000.00 152000.00 152000.00 224000.00 95900.00 85800.00 163000.00 142000.00 142000.00 224000.00 191000.00 227000.00 152000.00 230000.00 279000.00 264000.00 801000.00 221000.00 215000.00 190000.00 182000.00 163000.00 228000.00 162000.00 154000.00 141000.00 188000.00 139000.00 192000.00 157000.00 D-Ribose 168000.00 548000.00 600000.00 256000.00 596000.00 656000.00 735000.00 783000.00 591000.00 1140000.00 591000.00 591000.00 704000.00 513000.00 398000.00 598000.00 433000.00 433000.00 644000.00 613000.00 661000.00 592000.00 796000.00 824000.00 844000.00 714000.00 566000.00 349000.00 515000.00 718000.00 579000.00 805000.00 524000.00 755000.00 666000.00 546000.00 501000.00 675000.00 481000.00 D-Rhamnose 63500.00 70500.00 115000.00 45400.00 106000.00 155000.00 219000.00 187000.00 137000.00 319000.00 38000.00 38000.00 43200.00 32900.00 19300.00 55100.00 37900.00 37900.00 38900.00 37300.00 57600.00 33800.00 85400.00 24100.00 58100.00 65800.00 62800.00 46500.00 72100.00 69900.00 125000.00 55800.00 100000.00 84700.00 116000.00 75900.00 58200.00 105000.00 61800.00 Citrate 441000.00 1250000.00 971000.00 380000.00 1430000.00 1890000.00 1430000.00 2560000.00 1420000.00 1880000.00 1540000.00 1540000.00 1570000.00 1060000.00 1520000.00 1550000.00 1280000.00 1280000.00 1260000.00 983000.00 899000.00 1840000.00 1490000.00 1640000.00 1770000.00 1540000.00 989000.00 832000.00 1380000.00 1540000.00 1140000.00 1570000.00 1510000.00 1220000.00 1440000.00 922000.00 820000.00 1030000.00 1210000.00 2-Oxoglutarate 31100.00 127000.00 149000.00 40200.00 144000.00 94700.00 163000.00 128000.00 127000.00 204000.00 152000.00 152000.00 156000.00 124000.00 122000.00 122000.00 148000.00 148000.00 124000.00 138000.00 156000.00 169000.00 158000.00 154000.00 138000.00 91900.00 100000.00 54800.00 98300.00 139000.00 111000.00 102000.00 107000.00 168000.00 108000.00 106000.00 88800.00 144000.00 109000.00 Succinate 321000.00 345000.00 667000.00 257000.00 550000.00 511000.00 554000.00 785000.00 578000.00 478000.00 205000.00 205000.00 383000.00 296000.00 334000.00 242000.00 213000.00 213000.00 264000.00 152000.00 7170000.00 239000.00 476000.00 461000.00 328000.00 526000.00 1050000.00 399000.00 255000.00 199000.00 211000.00 178000.00 417000.00 274000.00 413000.00 175000.00 223000.00 321000.00 222000.00 Fumarate 96900.00 981000.00 2000000.00 170000.00 1370000.00 919000.00 1980000.00 1630000.00 1000000.00 2760000.00 1660000.00 1660000.00 1300000.00 1120000.00 833000.00 1030000.00 1170000.00 1170000.00 967000.00 978000.00 1400000.00 1580000.00 2330000.00 1910000.00 1660000.00 1500000.00 920000.00 361000.00 846000.00 1280000.00 1350000.00 1300000.00 1160000.00 2360000.00 1390000.00 1200000.00 549000.00 1690000.00 1040000.00 Malate 386000.00 6060000.00 17400000.00 638000.00 9060000.00 2930000.00 16700000.00 10200000.00 7910000.00 27600000.00 4520000.00 4520000.00 4680000.00 6420000.00 3180000.00 3400000.00 3850000.00 3850000.00 4370000.00 2410000.00 5590000.00 5240000.00 12800000.00 9410000.00 11600000.00 12200000.00 9240000.00 1970000.00 5230000.00 8260000.00 8690000.00 5360000.00 7280000.00 14200000.00 13700000.00 12100000.00 2300000.00 12000000.00 4900000.00 Oxaloacetate 45100.00 214000.00 277000.00 68800.00 268000.00 231000.00 299000.00 290000.00 199000.00 384000.00 256000.00 256000.00 269000.00 191000.00 213000.00 244000.00 211000.00 211000.00 211000.00 188000.00 268000.00 259000.00 276000.00 245000.00 273000.00 262000.00 194000.00 109000.00 201000.00 290000.00 268000.00 249000.00 263000.00 338000.00 276000.00 190000.00 182000.00 266000.00 221000.00 6-Phospho-D-gluconate 26800.00 120000.00 137000.00 22600.00 276000.00 277000.00 462000.00 384000.00 53800.00 1060000.00 291000.00 291000.00 232000.00 230000.00 329000.00 171000.00 404000.00 404000.00 359000.00 350000.00 230000.00 402000.00 407000.00 350000.00 500000.00 415000.00 329000.00 50900.00 243000.00 483000.00 824000.00 705000.00 387000.00 977000.00 745000.00 157000.00 170000.00 692000.00 368000.00 D-Glucono-1-5-lactone 6-phosphate 3620.00 70600.00 98500.00 19700.00 170000.00 96400.00 187000.00 214000.00 82000.00 270000.00 170000.00 170000.00 186000.00 91300.00 142000.00 171000.00 175000.00 175000.00 136000.00 124000.00 262000.00 158000.00 295000.00 151000.00 201000.00 217000.00 119000.00 38800.00 100000.00 230000.00 246000.00 200000.00 167000.00 314000.00 231000.00 117000.00 99100.00 205000.00 189000.00 D-Erythrose 4-phosphate 4480.00 84300.00 87200.00 14900.00 164000.00 82400.00 120000.00 142000.00 66500.00 183000.00 156000.00 156000.00 154000.00 88200.00 106000.00 131000.00 156000.00 156000.00 102000.00 110000.00 175000.00 115000.00 232000.00 107000.00 154000.00 172000.00 113000.00 35200.00 103000.00 182000.00 210000.00 164000.00 145000.00 264000.00 174000.00 100000.00 88700.00 166000.00 158000.00 Sedoheptulose 7-phosphate 407000.00 1990000.00 3660000.00 522000.00 4270000.00 3180000.00 3610000.00 5420000.00 1260000.00 8260000.00 6660000.00 6660000.00 4420000.00 5290000.00 3550000.00 4480000.00 4850000.00 4850000.00 4540000.00 5920000.00 8130000.00 5350000.00 7470000.00 5570000.00 4990000.00 3900000.00 2760000.00 1370000.00 2740000.00 6830000.00 5850000.00 3950000.00 2780000.00 10800000.00 5220000.00 1440000.00 3690000.00 5330000.00 3890000.00 Pentose phosphates (isobars) 350000.00 7640000.00 6980000.00 732000.00 9100000.00 5770000.00 10600000.00 9790000.00 5000000.00 15900000.00 11000000.00 11000000.00 10000000.00 5050000.00 7190000.00 8350000.00 8580000.00 8580000.00 7890000.00 7490000.00 4420000.00 11000000.00 13400000.00 10200000.00 9710000.00 9840000.00 5170000.00 1610000.00 4550000.00 8740000.00 9390000.00 10600000.00 7590000.00 13000000.00 10100000.00 6230000.00 4920000.00 9580000.00 7240000.00 Dehydroascorbate 257000.00 1440000.00 1770000.00 415000.00 1740000.00 1380000.00 2000000.00 1890000.00 1100000.00 2580000.00 2100000.00 2100000.00 2030000.00 1400000.00 1490000.00 1560000.00 1600000.00 1600000.00 1510000.00 1540000.00 1780000.00 2130000.00 2530000.00 2300000.00 1820000.00 1430000.00 972000.00 732000.00 1100000.00 1690000.00 1490000.00 1870000.00 1450000.00 2330000.00 1640000.00 1290000.00 1030000.00 1860000.00 1300000.00 D-O-Phosphoserine 231000.00 63400.00 58700.00 200000.00 48200.00 71200.00 45600.00 44600.00 94500.00 11500.00 34500.00 34500.00 18000.00 83100.00 83100.00 44000.00 26700.00 26700.00 61000.00 68400.00 73300.00 42400.00 21200.00 20000.00 26200.00 65900.00 46900.00 137000.00 76200.00 56000.00 35000.00 37000.00 26300.00 5880.00 28700.00 16200.00 99900.00 33000.00 53100.00 Urate 860000.00 709000.00 3840000.00 658000.00 560000.00 511000.00 290000.00 229000.00 182000.00 273000.00 276000.00 276000.00 532000.00 2020000.00 435000.00 466000.00 206000.00 206000.00 2760000.00 716000.00 11400000.00 1000000.00 867000.00 1650000.00 3330000.00 1240000.00 1330000.00 1400000.00 710000.00 491000.00 443000.00 205000.00 458000.00 802000.00 2150000.00 260000.00 1370000.00 2710000.00 803000.00 1-4-beta-D-Xylan 254000.00 776000.00 766000.00 345000.00 817000.00 869000.00 1020000.00 991000.00 784000.00 1180000.00 770000.00 770000.00 877000.00 663000.00 620000.00 840000.00 684000.00 684000.00 755000.00 820000.00 890000.00 818000.00 1080000.00 980000.00 1160000.00 1030000.00 825000.00 540000.00 675000.00 850000.00 717000.00 993000.00 783000.00 957000.00 844000.00 663000.00 670000.00 930000.00 678000.00 Acetoacetate 984000.00 2290000.00 2150000.00 1270000.00 2420000.00 2830000.00 2930000.00 3060000.00 2380000.00 3360000.00 2200000.00 2200000.00 2650000.00 1940000.00 1930000.00 2350000.00 1790000.00 1790000.00 2440000.00 2450000.00 2590000.00 2190000.00 2890000.00 3020000.00 3190000.00 3210000.00 2390000.00 1770000.00 2100000.00 2630000.00 2200000.00 2860000.00 2280000.00 2770000.00 2330000.00 2030000.00 1930000.00 2470000.00 2140000.00 Heptanoic acid 47800.00 55800.00 45000.00 39200.00 60000.00 38900.00 44100.00 41700.00 44900.00 38700.00 66700.00 66700.00 49500.00 51100.00 38200.00 42900.00 64500.00 64500.00 55700.00 51200.00 31500.00 45000.00 28100.00 52500.00 53300.00 36400.00 52600.00 40800.00 63400.00 52100.00 60300.00 73100.00 79600.00 81200.00 61900.00 31500.00 44200.00 43300.00 58200.00 Octanoic acid (caprylate) 36800.00 55000.00 55300.00 40000.00 62600.00 43900.00 56300.00 45600.00 48000.00 54100.00 69200.00 69200.00 57600.00 50100.00 53300.00 46400.00 82700.00 82700.00 62900.00 60600.00 55300.00 54700.00 50400.00 61700.00 49900.00 60000.00 80400.00 41800.00 72000.00 64900.00 76400.00 70000.00 82100.00 74300.00 65400.00 88800.00 56000.00 69400.00 64800.00 Icosatetraenoic acid 0.00 2420.00 3540.00 229.00 4340.00 3400.00 1600.00 2510.00 1050.00 3460.00 3930.00 3930.00 6460.00 512.00 4490.00 3120.00 2990.00 2990.00 2950.00 2090.00 0.00 4440.00 7490.00 7690.00 4530.00 1440.00 1960.00 1110.00 1550.00 4000.00 4520.00 1940.00 3360.00 5080.00 4970.00 4050.00 2340.00 5590.00 2780.00 Dodecanedioic acid 159000.00 132000.00 150000.00 128000.00 124000.00 112000.00 151000.00 143000.00 129000.00 160000.00 148000.00 148000.00 129000.00 139000.00 142000.00 158000.00 130000.00 130000.00 145000.00 134000.00 136000.00 155000.00 167000.00 183000.00 173000.00 173000.00 103000.00 117000.00 115000.00 153000.00 128000.00 120000.00 102000.00 173000.00 146000.00 120000.00 117000.00 160000.00 124000.00 alhpa-tocopheronolactone 6290.00 8120.00 9180.00 7640.00 12800.00 6930.00 9260.00 9300.00 11200.00 17800.00 8310.00 8310.00 11100.00 8710.00 6320.00 11300.00 20200.00 20200.00 10400.00 10400.00 7980.00 10400.00 10500.00 8000.00 9750.00 7740.00 21300.00 11600.00 14800.00 11100.00 12300.00 13100.00 14100.00 9710.00 11700.00 22900.00 10300.00 11200.00 12800.00 dihydroxy-octadecanoic acid 7530.00 9820.00 8630.00 5880.00 6420.00 6420.00 9030.00 7750.00 8670.00 8170.00 8270.00 8270.00 9630.00 9450.00 7550.00 8770.00 4240.00 4240.00 6580.00 7640.00 7400.00 7660.00 10100.00 8820.00 11600.00 9560.00 3960.00 9730.00 2480.00 10200.00 5440.00 6130.00 4450.00 5640.00 8540.00 4520.00 10400.00 9190.00 5780.00 hydroxy-dodecanedioic acid 40400.00 56900.00 47200.00 40500.00 54400.00 46700.00 53200.00 51900.00 41200.00 59400.00 72400.00 72400.00 54800.00 51900.00 43800.00 49200.00 78700.00 78700.00 59600.00 55700.00 40400.00 51200.00 48900.00 59500.00 55500.00 46200.00 63400.00 46400.00 60300.00 74500.00 70800.00 70500.00 81800.00 98000.00 66200.00 78000.00 52500.00 73100.00 55300.00 dihydroxy-hexadecanoic acid 3210.00 7400.00 14900.00 4490.00 6210.00 24400.00 28800.00 27100.00 16100.00 50100.00 14800.00 14800.00 11600.00 2590.00 1180.00 9940.00 8030.00 8030.00 8560.00 3090.00 9050.00 3020.00 8800.00 4480.00 13600.00 7470.00 3540.00 7160.00 6470.00 9720.00 11700.00 2590.00 4490.00 13800.00 21600.00 7010.00 6850.00 19200.00 7700.00 trihydroxy-octadecenoic acid 221000.00 262000.00 219000.00 190000.00 225000.00 240000.00 228000.00 210000.00 217000.00 249000.00 194000.00 194000.00 246000.00 214000.00 225000.00 200000.00 189000.00 189000.00 236000.00 249000.00 227000.00 232000.00 256000.00 251000.00 251000.00 228000.00 163000.00 232000.00 194000.00 227000.00 219000.00 220000.00 209000.00 256000.00 256000.00 232000.00 231000.00 252000.00 223000.00 epoxy-octadecanoic acid 1540.00 3080.00 5620.00 1410.00 10700.00 1440.00 6620.00 1190.00 928.00 6640.00 7450.00 7450.00 5050.00 4990.00 2840.00 7140.00 3920.00 3920.00 3700.00 3480.00 1630.00 2510.00 6800.00 1740.00 10400.00 4100.00 1490.00 3250.00 1430.00 9530.00 11200.00 3500.00 1530.00 9650.00 30200.00 3330.00 10200.00 14500.00 8720.00 3alpha-7alpha-12alpha-Trihydroxy-5beta-cholanate 0.00 795.00 5700.00 1460.00 25300.00 20400.00 50600.00 27400.00 13100.00 16800.00 4750.00 4750.00 56600.00 94400.00 0.00 20100.00 17100.00 17100.00 3750.00 107000.00 64700.00 2500.00 7380.00 3650.00 21600.00 186000.00 12500.00 7290.00 2190.00 20600.00 7030.00 2830.00 4530.00 5670.00 1790.00 0.00 3150.00 3600.00 5640.00 Glycocholate 0.00 5390.00 3790.00 1660.00 50200.00 48000.00 152000.00 136000.00 105000.00 93200.00 12300.00 12300.00 132000.00 51600.00 40800.00 89400.00 47200.00 47200.00 19800.00 17600.00 40900.00 45700.00 25600.00 50300.00 38400.00 114000.00 22100.00 1120.00 23500.00 42600.00 34800.00 18600.00 32500.00 93500.00 3110.00 1870.00 0.00 13100.00 8360.00 Taurochenodeoxycholate 155000.00 393000.00 100000.00 250000.00 175000.00 250000.00 142000.00 413000.00 233000.00 177000.00 192000.00 192000.00 154000.00 132000.00 532000.00 188000.00 88800.00 88800.00 237000.00 104000.00 11300.00 285000.00 172000.00 223000.00 179000.00 111000.00 84500.00 339000.00 248000.00 175000.00 170000.00 463000.00 141000.00 320000.00 148000.00 185000.00 80300.00 336000.00 107000.00 Sulfoglycolithocholate 0.00 9630.00 17800.00 0.00 7600.00 3800.00 7840.00 1920.00 0.00 1900.00 15600.00 15600.00 8590.00 9050.00 8490.00 0.00 0.00 0.00 0.00 9810.00 0.00 0.00 0.00 10100.00 8270.00 8720.00 21300.00 0.00 1590.00 1480.00 0.00 0.00 0.00 1630.00 13800.00 1430.00 0.00 1540.00 0.00 13(S)-HODE 1560.00 7050.00 4370.00 306.00 3060.00 2400.00 4340.00 4770.00 2850.00 7040.00 4510.00 4510.00 11500.00 2560.00 4200.00 7050.00 2560.00 2560.00 2920.00 3590.00 699.00 10300.00 13300.00 15900.00 7130.00 3350.00 3040.00 2270.00 1430.00 9840.00 3060.00 4960.00 2580.00 5150.00 8850.00 5240.00 4310.00 8020.00 4090.00 9(S)-HODE 0.00 874.00 871.00 0.00 2740.00 313.00 1090.00 953.00 276.00 6050.00 2850.00 2850.00 3180.00 194.00 528.00 4090.00 201.00 201.00 442.00 340.00 242.00 5890.00 5450.00 5780.00 5720.00 1340.00 1080.00 0.00 645.00 7230.00 3300.00 3110.00 1740.00 6960.00 11200.00 1110.00 2400.00 4660.00 2550.00 11(R)-HPETE/Leukotriene B4 (isobars) 1010.00 5360.00 6060.00 15100.00 1580.00 2830.00 1960.00 3740.00 1110.00 7650.00 9730.00 9730.00 10500.00 2280.00 5830.00 6930.00 5130.00 5130.00 1030.00 3610.00 573.00 7640.00 12200.00 12500.00 6400.00 5890.00 3390.00 2000.00 726.00 7970.00 4630.00 7330.00 1160.00 7780.00 8440.00 5520.00 4820.00 4700.00 3520.00 Cortisol 0.00 4250.00 1510.00 0.00 6680.00 12900.00 6900.00 4950.00 40000.00 9090.00 62200.00 62200.00 17700.00 5820.00 3090.00 8450.00 33300.00 33300.00 15800.00 13600.00 7080.00 49800.00 1520.00 5650.00 5470.00 1410.00 0.00 0.00 0.00 47200.00 5650.00 43100.00 1650.00 107000.00 1290.00 13500.00 5430.00 14200.00 16600.00 Catechin 539000.00 2210000.00 1780000.00 884000.00 1510000.00 1790000.00 2500000.00 1830000.00 2010000.00 2580000.00 2780000.00 2780000.00 2430000.00 1590000.00 1880000.00 2500000.00 2170000.00 2170000.00 2050000.00 2270000.00 2020000.00 2000000.00 2600000.00 2810000.00 2180000.00 1940000.00 1450000.00 1220000.00 1360000.00 2220000.00 1640000.00 2510000.00 1970000.00 2010000.00 1410000.00 1610000.00 1330000.00 1830000.00 1520000.00 Hydroxyacetone phosphate 10300.00 125000.00 113000.00 9750.00 209000.00 221000.00 556000.00 493000.00 142000.00 811000.00 485000.00 485000.00 207000.00 117000.00 113000.00 228000.00 221000.00 221000.00 241000.00 219000.00 106000.00 493000.00 299000.00 294000.00 197000.00 145000.00 122000.00 42200.00 124000.00 395000.00 263000.00 348000.00 184000.00 649000.00 201000.00 112000.00 137000.00 188000.00 161000.00 metabolite_name retention index quantified m/z PubChem ID KEGG ID AMP C00020 4-Pyridoxate C00847 Diphosphate C00013 D-Glucose C00031 D-Glucose 6-phosphate C02965 D-Glyceraldehyde 3-phosphate/Glycerone phosphate C00118 2/3-Phospho-D-glycerate C00631 Pyruvate C00022 Lactate C01432 Maltose C00208 Maltotriose C01835 Mannitol C00392 D-Ribose C00121 D-Rhamnose C01684 Citrate C00158 2-Oxoglutarate C00026 Succinate C00042 Fumarate C00122 Malate C00149 Oxaloacetate C00036 6-Phospho-D-gluconate C00345 D-Glucono-1-5-lactone 6-phosphate C01236 D-Erythrose 4-phosphate C00279 Sedoheptulose 7-phosphate C05382 Pentose phosphates (isobars) C00199 Dehydroascorbate C05422 D-O-Phosphoserine C02532 Urate C00366 1-4-beta-D-Xylan C02352 Acetoacetate C00164 Heptanoic acid C17714 Octanoic acid (caprylate) C06423 Icosatetraenoic acid C00219 Dodecanedioic acid C02678 alhpa-tocopheronolactone dihydroxy-octadecanoic acid hydroxy-dodecanedioic acid dihydroxy-hexadecanoic acid trihydroxy-octadecenoic acid epoxy-octadecanoic acid 3alpha-7alpha-12alpha-Trihydroxy-5beta-cholanate C00695 Glycocholate C01921 Taurochenodeoxycholate C05465 Sulfoglycolithocholate C11301 13(S)-HODE C14762 9(S)-HODE C14767 11(R)-HPETE/Leukotriene B4 (isobars) C14820 Cortisol C00735 Catechin C17590 Hydroxyacetone phosphate C03505