metabolite_name TC_f3646 TC_f3646_2 TC_f3649 TC_f3649_2 TC_f3651 TC_f3651_2 TC_f3668 TC_f3668_2 B6_F1 B6_F1_2 B6_F2 B6_F3 B6_F3_2 B6_F4 B6_F4_2 B6_F5 (+)-Blennin D 58300.00 252000.00 318000.00 1260000.00 209000.00 155000.00 300000.00 306000.00 1820000.00 155000.00 1260000.00 210000.00 6470.00 77800.00 1090000.00 273000.00 (25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-27-oyl taurine 2920000.00 2790000.00 3240000.00 3200000.00 2950000.00 3080000.00 6510000.00 5180000.00 2120000.00 2170000.00 1870000.00 2650000.00 3800000.00 2710000.00 2660000.00 3860000.00 (3'-sulfo)Galbeta-Cer(d18:1/22:0(2OH)) 316000.00 292000.00 278000.00 270000.00 251000.00 260000.00 511000.00 433000.00 192000.00 195000.00 142000.00 172000.00 233000.00 305000.00 293000.00 202000.00 1-(8-[3]-ladderane-octanoyl-2-(8-[3]-ladderane-octanyl)-sn-glycerol 2060000.00 2060000.00 1710000.00 1750000.00 2120000.00 2180000.00 2580000.00 2530000.00 3040000.00 3150000.00 2870000.00 1750000.00 2180000.00 2650000.00 2660000.00 2520000.00 1,035.5586 \N \N \N \N \N \N \N \N 71900.00 \N \N \N \N \N \N \N 1,035.6697 888000.00 818000.00 1130000.00 1060000.00 910000.00 1030000.00 70500.00 43400.00 536000.00 507000.00 450000.00 896000.00 1530000.00 831000.00 784000.00 1500000.00 1,037.5698 \N \N \N \N \N \N \N \N \N \N \N \N \N 28200.00 \N \N 1,051.5657 78400.00 108000.00 18600.00 \N \N \N \N \N 480000.00 28100000.00 422000.00 417000.00 450000.00 38200000.00 32700000.00 \N 1,052.5688 26100.00 38400.00 \N \N \N \N \N \N 16900000.00 15900000.00 15400000.00 212000.00 248000.00 383000.00 3130000.00 \N 1,053.5586 \N \N \N \N \N \N \N \N \N 139000.00 \N \N \N \N \N \N 1,083.6610 1070000.00 990000.00 1040000.00 1010000.00 896000.00 938000.00 1470000.00 1010000.00 638000.00 638000.00 797000.00 1280000.00 36400.00 703000.00 638000.00 965000.00 1,2-ditetradecanoyl-sn-glycero-3-phosphosulfocholine 1490000.00 1610000.00 54600.00 54900.00 1840000.00 2000000.00 1130000.00 1090000.00 55500.00 55100.00 93200.00 2260000.00 147000.00 2070000.00 1590000.00 2050000.00 12-hydroxy-5Z,8Z,10Z,14Z-Eicosatetraenoic acid 1900000.00 1820000.00 347000.00 346000.00 302000.00 316000.00 406000.00 371000.00 407000.00 414000.00 1780000.00 557000.00 1070000.00 450000.00 408000.00 1930000.00 16-methyl-6Z,9Z-heptadecadienoic acid 52900.00 51000.00 80600.00 81800.00 69900.00 70400.00 83300.00 73900.00 283000.00 289000.00 268000.00 1940000.00 2850000.00 245000.00 230000.00 2790000.00 17:0 Cholesteryl ester 175000.00 163000.00 145000.00 149000.00 187000.00 193000.00 264000.00 240000.00 302000.00 303000.00 277000.00 121000.00 180000.00 251000.00 242000.00 225000.00 18-methyl-5Z,8Z,11Z,14Z-nonadecatetraenoic acid 1550000.00 1550000.00 2310000.00 2530000.00 2570000.00 2470000.00 96500.00 86900.00 820000.00 851000.00 827000.00 1650000.00 2690000.00 912000.00 887000.00 68100.00 1a,1b-dihomo-15-deoxy-delta-12,14-PGJ2 613000.00 626000.00 56600.00 55300.00 3150000.00 54400.00 84400.00 75600.00 2250000.00 2280000.00 84800.00 277000.00 499000.00 2540000.00 2360000.00 899000.00 201.0207 4260000.00 1910000.00 1010000.00 1200000.00 76000.00 5040000.00 2490000.00 61300.00 \N \N 804.00 \N \N \N \N 15800.00 201.0383 11500000.00 174000.00 424000.00 376000.00 16000000.00 229000.00 231000.00 13100000.00 3010000.00 3810000.00 7710000.00 101000.00 159000.00 3910000.00 5070000.00 140000.00 204.9710 1620000.00 1610000.00 1730000.00 1390000.00 1220000.00 1300000.00 1350000.00 938000.00 2760000.00 3100000.00 3400000.00 659000.00 1240000.00 3450000.00 57000.00 603000.00 205.8392 2560000.00 4040000.00 3920000.00 89600.00 670000.00 65200.00 322000.00 2060000.00 61900.00 3290000.00 5210000.00 15800.00 225000.00 5220000.00 2440000.00 4340000.00 205.8402 4590.00 42200.00 31100.00 6290.00 6860.00 1020.00 17900.00 1110.00 708000.00 4120000.00 109000.00 182000.00 10300000.00 27500.00 2090.00 5860.00 207.8372 2890000.00 4370000.00 4360000.00 110000.00 754000.00 77500.00 338000.00 2260000.00 68300.00 3490000.00 5830000.00 15700.00 232000.00 5990000.00 2710000.00 4500000.00 207.9289 22800.00 12700.00 16100.00 18200.00 35400.00 29000.00 24000.00 12300.00 75000.00 12400.00 26400.00 28500.00 10200.00 46100.00 39200.00 161000.00 207.9302 151000.00 130000.00 209000.00 21200.00 427000.00 506000.00 322000.00 245000.00 63900.00 77700.00 52200.00 113000.00 16400.00 56800.00 120000.00 192000.00 207.9305 184000.00 110000.00 221000.00 7160.00 103000.00 93300.00 297000.00 245000.00 355000.00 77700.00 68500.00 75100.00 738000.00 119000.00 150000.00 53200.00 207.9313 247000.00 47000.00 300000.00 582000.00 218000.00 329000.00 406000.00 162000.00 125000.00 202000.00 592000.00 137000.00 10100.00 106000.00 81000.00 181000.00 209.0649 554000.00 1110000.00 78400.00 142000.00 503000.00 567000.00 1540000.00 184000.00 1160000.00 70100.00 1660000.00 2090000.00 1860000.00 2540000.00 3260000.00 454000.00 209.0664 78300.00 3480000.00 737000.00 61900.00 60800.00 54500.00 79400.00 57600.00 78600.00 554000.00 76100.00 77600.00 77300.00 88100.00 4310000.00 68300.00 209.8343 4620.00 1590000.00 1490000.00 34800.00 277000.00 28700.00 110000.00 810000.00 18200.00 1210000.00 2140000.00 1100000.00 81500.00 57900.00 \N 1620000.00 210.8831 607000.00 538000.00 667000.00 85800.00 346000.00 900000.00 1400000.00 818000.00 145000.00 68300.00 918000.00 407000.00 310000.00 261000.00 224000.00 526000.00 210.8839 1710000.00 7610000.00 8550000.00 5970000.00 5470000.00 5780000.00 242000.00 7400000.00 5010000.00 5050000.00 3820000.00 4520000.00 1350000.00 6000000.00 188000.00 3910000.00 212.0022 1770000.00 87300.00 939000.00 803000.00 459000.00 529000.00 2130000.00 402000.00 2880000.00 3120000.00 \N 1800000.00 2720000.00 920000.00 948000.00 2510000.00 212.8818 1620000.00 5740000.00 5440000.00 66700.00 3330000.00 7870000.00 3360000.00 4380000.00 7420000.00 3350000.00 2160000.00 2630000.00 1770000.00 3930000.00 1420000.00 4170000.00 213.0150 1470000.00 221000000.00 4350000.00 387000.00 1570000.00 726000.00 2060000.00 19300000.00 3000000.00 31700000.00 29500000.00 2250000.00 20800000.00 140000000.00 138000000.00 1740000.00 215.0312 2500000.00 252000.00 582000.00 794000.00 313000.00 647000.00 2750000.00 145000.00 32200000.00 34200000.00 43900000.00 1600000.00 1960000.00 967000.00 49900000.00 444000.00 215.0329 317000.00 728000.00 522000.00 421000.00 14500000.00 296000.00 401000.00 24600000.00 1770000.00 2120000.00 1820000.00 999000.00 2220000.00 27600000.00 807000.00 40200000.00 215.8683 631000.00 887000.00 356000.00 81300.00 383000.00 77000.00 246000.00 619000.00 47400.00 1410000.00 218000.00 11500.00 139000.00 689000.00 568000.00 358000.00 215.8687 141000.00 27600.00 114000.00 83100.00 161000.00 31500.00 270000.00 9630.00 45000.00 2320000.00 4520000.00 1230000.00 5520000.00 128000.00 213000.00 69600.00 215.8688 141000.00 27600.00 114000.00 83100.00 161000.00 31500.00 270000.00 9630.00 678000.00 2320000.00 74700.00 1230000.00 93500.00 128000.00 213000.00 69600.00 215.8690 38100.00 \N 160000.00 5370.00 62500.00 12700.00 44500.00 29200.00 10800.00 9430.00 571000.00 16100.00 306000.00 33200.00 156000.00 183000.00 217.0284 108000.00 249000.00 178000.00 137000.00 5430000.00 6470000.00 9210000.00 8480000.00 607000.00 722000.00 620000.00 335000.00 730000.00 312000.00 259000.00 13700000.00 217.8653 414000.00 582000.00 232000.00 60000.00 269000.00 51000.00 162000.00 414000.00 716000.00 1230000.00 548000.00 293000.00 89000.00 449000.00 414000.00 205000.00 217.8657 87000.00 7140.00 74600.00 102000.00 102000.00 22600.00 157000.00 1810.00 18300.00 3480000.00 2950000.00 852000.00 3520000.00 115000.00 116000.00 44700.00 217.8659 20800.00 22800.00 163000.00 106000.00 102000.00 22600.00 157000.00 24100.00 404000.00 3480000.00 48400.00 298000.00 3910000.00 48800.00 30600.00 44700.00 217.8661 28600.00 \N 111000.00 982.00 39300.00 13800.00 29600.00 18700.00 3020.00 2660.00 217000.00 573000.00 210000.00 23400.00 109000.00 119000.00 221.0098 76500.00 34400.00 49800.00 27600.00 \N 1080.00 884000.00 603000.00 1050.00 838.00 1020.00 926.00 964.00 1220.00 73700.00 1470.00 222.7914 5860000.00 6200000.00 5870000.00 2320000.00 1930000.00 121000.00 126000.00 109000.00 584000.00 715000.00 551000.00 4250000.00 978000.00 4600000.00 1770000.00 5770000.00 223.0439 3900000.00 1160000.00 1540000.00 975000.00 2430000.00 1180000.00 1190000.00 949000.00 4340000.00 1840000.00 131000.00 3330000.00 97500.00 8500000.00 7920000.00 809000.00 223.0459 4700000.00 67300.00 5770000.00 5390000.00 3830000.00 4080000.00 6290000.00 5080000.00 7620000.00 125000.00 2200000.00 2630000.00 5960000.00 10300000.00 5960000.00 4470000.00 224.0778 200000.00 231000.00 446000.00 433000.00 196000.00 252000.00 704000.00 367000.00 47100.00 2980000.00 3500000.00 1020000.00 2120000.00 1150000.00 474000.00 419000.00 224.7905 4330000.00 4620000.00 4090000.00 77300.00 1310000.00 85200.00 86500.00 1010000.00 368000.00 1080000.00 1150000.00 2820000.00 810000.00 1030000.00 1120000.00 2440000.00 224.9998 16200000.00 256000.00 337000.00 302000.00 17000000.00 16600000.00 17000000.00 15300000.00 113000.00 5040000.00 6730000.00 227000.00 265000.00 5960000.00 141000.00 15000000.00 225.0612 764000.00 658000.00 945000.00 867000.00 651000.00 719000.00 1210000.00 900000.00 977000.00 873000.00 922000.00 735000.00 915000.00 1190000.00 1140000.00 786000.00 225.8962 398000.00 4050.00 85200.00 858000.00 889000.00 217000.00 12000.00 26600.00 374000.00 1010000.00 1270000.00 718000.00 20900.00 65800.00 11700.00 326000.00 225.8978_1 483000.00 106000.00 245000.00 492000.00 897000.00 191000.00 33400.00 28900.00 299000.00 2920000.00 1370000.00 424000.00 2380000.00 220000.00 1220000.00 391000.00 225.8978_2 963000.00 89000.00 429000.00 544000.00 378000.00 86700.00 244000.00 80100.00 406000.00 671000.00 299000.00 200000.00 42000.00 242000.00 131000.00 416000.00 229.9208 119000.00 198000.00 39100.00 17800.00 69400.00 14800.00 44700.00 114000.00 267000.00 50000.00 59800.00 71700.00 20900.00 129000.00 99000.00 66900.00 231.9318 1540000.00 296000.00 858000.00 626000.00 823000.00 521000.00 1240000.00 447000.00 31400.00 719000.00 527000.00 1060000.00 51400.00 1410000.00 871000.00 652000.00 231.9319 279000.00 1060000.00 673000.00 848000.00 584000.00 728000.00 59300.00 300000.00 34600.00 33500.00 64600.00 779000.00 2200000.00 452000.00 19100.00 12300.00 235.9260 3100000.00 42000000.00 4060000.00 4520000.00 4300000.00 3390000.00 5290000.00 4930000.00 8370000.00 10000000.00 6930000.00 110000.00 7370000.00 5430000.00 115000.00 3020000.00 235.9261_1 3100000.00 7660000.00 4060000.00 4520000.00 4300000.00 3390000.00 270000.00 4930000.00 8370000.00 10000000.00 102000.00 6620000.00 7370000.00 5430000.00 11100000.00 3020000.00 235.9261_2 6620000.00 4520000.00 3950000.00 5780000.00 3530000.00 4670000.00 7240000.00 9580000.00 179000.00 4560000.00 1240000.00 6480000.00 175000.00 2640000.00 1850000.00 2390000.00 239.0773 49600.00 44300.00 3910000.00 3570000.00 45400.00 2700000.00 3020000.00 44700.00 80900.00 75800.00 56100.00 72400.00 82000.00 96600.00 5740000.00 110000.00 242.0525 692000.00 18700.00 591000.00 751000.00 791000.00 382000.00 677000.00 991000.00 407000.00 534000.00 268000.00 247000.00 148000.00 104000.00 223000.00 272000.00 243.0623 1070000.00 1010000.00 33600.00 31500.00 1490000.00 1630000.00 55200.00 2810000.00 1090000.00 1170000.00 53000.00 1230000.00 1380000.00 1790000.00 1900000.00 1110000.00 243.9677 9700000.00 2620000.00 7300000.00 105000.00 4380000.00 3650000.00 170000.00 6740000.00 164000.00 67600.00 83200.00 8080000.00 93800.00 60800.00 96200.00 6980000.00 248.9610 505000000.00 506000000.00 507000000.00 508000000.00 505000000.00 483000000.00 364000000.00 457000000.00 643000000.00 658000000.00 710000000.00 194000000.00 514000000.00 561000000.00 6420000.00 456000000.00 248.9724 1380000.00 36900.00 29800.00 1750000.00 1240000.00 30800.00 1640000.00 27700.00 29100.00 31900.00 36600.00 1450000.00 1480000.00 29700.00 30400.00 27200.00 265.1480 76800.00 76500.00 79200.00 78300.00 71700.00 75700.00 115000.00 88900.00 131000.00 122000.00 110000.00 53700.00 68700.00 76800.00 68900.00 75700.00 269.0882 1690000.00 1290000.00 151000000.00 2180000.00 1910000.00 1870000.00 2470000.00 2040000.00 61000000.00 793000.00 1530000.00 101000000.00 1890000.00 1190000.00 1150000.00 91100000.00 273.0490 2720000.00 3070000.00 998000.00 1040000.00 1420000.00 1460000.00 59400.00 64700.00 165000.00 372000.00 \N 782000.00 615000.00 155000.00 24800.00 856000.00 276.0767 24800.00 29500.00 29500.00 27300.00 27000.00 1820000.00 27700.00 27300.00 8250000.00 94000.00 7430000.00 1530000.00 1960000.00 1560000.00 2010000.00 29600.00 277.0732 117000.00 131000.00 133000.00 136000.00 121000.00 135000.00 125000.00 118000.00 34600000.00 460000.00 508000.00 6280000.00 189000.00 136000.00 146000.00 8680000.00 278.1230 983000.00 844000.00 1180000.00 938000.00 485000.00 523000.00 571000.00 511000.00 \N \N \N 206000.00 586000.00 108000.00 93700.00 27000.00 280.8976 257000.00 417000.00 303000.00 446000.00 373000.00 246000.00 324000.00 349000.00 81400.00 74600.00 39700.00 7790.00 441000.00 110000.00 88900.00 101000.00 280.8978 487000.00 444000.00 172000.00 313000.00 12600.00 683000.00 308000.00 260000.00 94800.00 180000.00 28800.00 11800.00 486000.00 264000.00 150000.00 474000.00 282.9586 939000.00 20500.00 29200.00 1250000.00 745000.00 800000.00 1020000.00 887000.00 825000.00 1200000.00 2110000.00 2130000.00 3120000.00 396000.00 391000.00 2360000.00 283.1033 3000000.00 2550000.00 42700.00 37100.00 2380000.00 2080000.00 3780000.00 3200000.00 2070000.00 2060000.00 1260000.00 2590000.00 2870000.00 2910000.00 3050000.00 3140000.00 287.0891 1540000.00 1660000.00 1660000.00 1610000.00 1420000.00 1530000.00 28800.00 27400.00 1220000.00 20600.00 725000.00 1460000.00 1610000.00 1880000.00 1440000.00 1260000.00 292.1401 48900.00 37400.00 3770000.00 3070000.00 28000.00 1740000.00 1880000.00 25800.00 76500.00 \N \N 1030000.00 31000.00 1700000.00 1650000.00 81700.00 293.0488 5510000.00 4610000.00 3340000.00 3280000.00 2330000.00 2560000.00 3160000.00 3140000.00 4700000.00 53500.00 3820000.00 3570000.00 159000.00 6290000.00 5970000.00 6490000.00 293.1762 42000.00 40000.00 52600.00 46400.00 2520000.00 2580000.00 42000.00 2600000.00 60400.00 62000.00 57400.00 33600.00 50900.00 51800.00 51600.00 48400.00 293.1791 38300.00 37800.00 40800.00 39300.00 2320000.00 2310000.00 56000.00 3170000.00 52600.00 52300.00 49600.00 23600.00 36100.00 38900.00 36800.00 38400.00 295.1092 77900.00 56400.00 1170000.00 1030000.00 824000.00 839000.00 668000.00 551000.00 470000.00 440000.00 45400.00 76200.00 184000.00 176000.00 151000.00 148000.00 297.1529 113000.00 112000.00 102000.00 105000.00 82300.00 89200.00 140000.00 118000.00 69500.00 69000.00 141000.00 56100.00 74600.00 93600.00 92400.00 106000.00 2-methyl-16-heptadecenoic acid 2330000.00 2350000.00 56600.00 57200.00 47900.00 49800.00 43300.00 39900.00 122000.00 126000.00 145000.00 1260000.00 1950000.00 95600.00 98600.00 1980000.00 302.1024 241000.00 269000.00 474000.00 470000.00 620000.00 630000.00 33900.00 1850000.00 210000.00 142000.00 21400.00 174000.00 216000.00 398000.00 375000.00 200000.00 311.1685 253000.00 240000.00 230000.00 223000.00 187000.00 202000.00 320000.00 266000.00 158000.00 158000.00 305000.00 123000.00 178000.00 213000.00 209000.00 236000.00 313.1192 641000.00 655000.00 729000.00 671000.00 537000.00 512000.00 535000.00 521000.00 91700.00 5620000.00 1360000.00 865000.00 1700000.00 40800.00 41000.00 850000.00 315.0981 444000.00 428000.00 2080000.00 32600.00 2440000.00 2310000.00 1430000.00 1530000.00 82200.00 121000.00 3140000.00 \N 47400.00 143000.00 151000.00 232000.00 321.0440 104000.00 154000.00 162000.00 141000.00 85300.00 104000.00 182000.00 136000.00 15700000.00 18500000.00 5070000.00 129000.00 177000.00 7240000.00 6510000.00 160000.00 325.1203 506000.00 521000.00 1260000.00 1330000.00 1280000.00 1340000.00 1440000.00 1320000.00 815000.00 808000.00 40900.00 411000.00 844000.00 178000.00 279000.00 405000.00 325.1844 245000.00 239000.00 222000.00 217000.00 180000.00 192000.00 304000.00 257000.00 156000.00 158000.00 293000.00 124000.00 174000.00 217000.00 210000.00 226000.00 327.2552 1180000.00 1240000.00 1970000.00 1660000.00 1780000.00 1510000.00 1460000.00 1260000.00 51100.00 49600.00 61300.00 599000.00 1050000.00 42500.00 39300.00 1060000.00 352.8536 490000.00 250000.00 230000.00 418000.00 529000.00 182000.00 712000.00 213000.00 585000.00 803000.00 103000.00 285000.00 40400.00 158000.00 174000.00 708000.00 352.8546 161000.00 94100.00 230000.00 294000.00 366000.00 255000.00 450000.00 104000.00 698000.00 31600.00 1160000.00 68300.00 1910000.00 73900.00 174000.00 290000.00 360.9754 3540000.00 3610000.00 6450000.00 74400.00 3470000.00 2970000.00 4100000.00 3490000.00 1110000.00 1120000.00 2270000.00 2860000.00 3340000.00 1070000.00 1110000.00 4710000.00 367.1063 806000.00 5200000.00 949000.00 2760000.00 4060000.00 2470000.00 2440000.00 8020000.00 15400000.00 11200000.00 5270000.00 2590000.00 38900.00 1040000.00 433000.00 42700.00 376.0680 1260.00 2280.00 7670.00 2240.00 3250.00 3000.00 52100.00 45200.00 11300.00 58300.00 3580.00 30000.00 823000.00 650000.00 459000.00 7880.00 38:5(23Z,26Z,29Z,32Z,35Z) 1800000.00 1690000.00 1410000.00 1390000.00 1630000.00 1710000.00 41900.00 2170000.00 45200.00 47100.00 2180000.00 1030000.00 1620000.00 39100.00 2360000.00 1660000.00 4,7,10,13,16,19-Docosahexaynoic acid 752000.00 705000.00 727000.00 616000.00 563000.00 591000.00 916000.00 753000.00 2960000.00 3260000.00 2420000.00 218000.00 337000.00 2790000.00 37700.00 490000.00 421.1566 182000.00 223000.00 294000.00 222000.00 197000.00 191000.00 1740000.00 1560000.00 197000.00 198000.00 116000.00 461000.00 1380000.00 83600.00 58500.00 69900.00 428.9632 1490000.00 1510000.00 2900000.00 32300.00 1350000.00 1200000.00 1610000.00 1500000.00 583000.00 435000.00 882000.00 1120000.00 1460000.00 446000.00 393000.00 2230000.00 431.1842 72300.00 75000.00 94800.00 93500.00 85700.00 88900.00 869000.00 843000.00 1560000.00 1690000.00 647000.00 47200.00 63400.00 2010000.00 2000000.00 1410000.00 433.2213 \N \N \N \N \N \N \N \N \N \N 42800.00 \N \N \N \N \N 448.1743 961000.00 952000.00 1210000.00 1210000.00 1130000.00 1140000.00 141000.00 133000.00 166000.00 175000.00 113000.00 589000.00 178000.00 220000.00 223000.00 180000.00 449.1512 476000.00 466000.00 1630000.00 1450000.00 715000.00 842000.00 255000.00 205000.00 2780000.00 52800.00 1290000.00 984000.00 1380000.00 178000.00 163000.00 120000.00 451.2698 306000.00 346000.00 73000.00 6900.00 162000.00 140000.00 190000.00 146000.00 97600.00 103000.00 56400.00 215000.00 316000.00 4130000.00 3610000.00 494000.00 453.2804 8990.00 525000.00 671000.00 626000.00 194000.00 492000.00 683000.00 671000.00 610000.00 625000.00 760000.00 8350.00 943000.00 221000.00 624000.00 696000.00 453.2854 66400.00 61500.00 642000.00 794000.00 691000.00 763000.00 53000.00 1530000.00 1450000.00 1490000.00 1050000.00 57200.00 83700.00 1210000.00 1090000.00 934000.00 484.2743 107000.00 90500.00 6770.00 8370.00 \N \N \N \N 1830000.00 1960000.00 3840000.00 109000.00 137000.00 62600.00 3200000.00 \N 5,7-Dihydroxy-6-C-methylflavone 7-xylosyl-(1->3)-xyloside 1270000.00 1250000.00 1050000.00 953000.00 755000.00 810000.00 879000.00 839000.00 32000.00 38900.00 1510000.00 1420000.00 2570000.00 33200.00 2040000.00 1030000.00 500.2911 1310000.00 1310000.00 544000.00 577000.00 232000.00 251000.00 3430.00 5550.00 614000.00 641000.00 482000.00 1760000.00 2240000.00 41900000.00 36500000.00 16700.00 501.2895 224000.00 238000.00 52600.00 27700.00 3240.00 7410.00 \N \N 5630000.00 130000.00 4630000.00 225000.00 325000.00 138000.00 5890000.00 \N 510.2556 62500.00 93000.00 15600.00 \N \N \N \N \N 58900.00 3630000.00 2260000.00 39600.00 20900.00 53000.00 56200.00 \N 516.2854 168000.00 9990000.00 137000.00 7320000.00 3070000.00 53100.00 17500.00 150000.00 3820000.00 235000000.00 3630000.00 257000.00 18200000.00 4610000.00 256000000.00 32400.00 518.2889 378000.00 291000.00 304000.00 265000.00 10300.00 \N \N \N 8170000.00 147000.00 7910000.00 560000.00 593000.00 10700000.00 152000.00 \N 520.9117 9410000.00 12500000.00 9170000.00 9540000.00 11900000.00 13200000.00 11400000.00 12200000.00 12500000.00 13100000.00 16400000.00 12000000.00 12500000.00 12400000.00 13500000.00 366000.00 521.9119_1 9470000.00 9950000.00 9770000.00 261000.00 10000000.00 10300000.00 7840000.00 9030000.00 84200000.00 6270000.00 8680000.00 84500000.00 9870000.00 4270000.00 3290000.00 10400000.00 521.9119_2 4310000.00 4380000.00 4030000.00 4310000.00 3860000.00 4280000.00 2970000.00 3350000.00 86500000.00 9170000.00 6830000.00 70200.00 4520000.00 3770000.00 5600000.00 4570000.00 521.9130 729000.00 709000.00 607000.00 9180.00 15500.00 945000.00 579000.00 687000.00 914000.00 1050000.00 1270000.00 840000.00 872000.00 691000.00 919000.00 983000.00 522.3648 220000.00 209000.00 220000.00 191000.00 143000.00 109000.00 123000.00 80400.00 1430000.00 1440000.00 1350000.00 39000.00 42100.00 2620000.00 38500.00 17500.00 523.3577 476000.00 374000.00 469000.00 349000.00 275000.00 312000.00 229000.00 118000.00 3060000.00 3050000.00 2590000.00 83400.00 214000.00 5430000.00 4840000.00 61400.00 527.2692 34100.00 19600.00 20800.00 13800.00 4290.00 15300.00 7700.00 12100.00 3140000.00 81500.00 52700.00 169000.00 26800.00 2410000.00 2230000.00 12400.00 530.2802 317000.00 367000.00 369000.00 340000.00 59300.00 113000.00 \N \N 138000.00 9750000.00 8660000.00 367000.00 516000.00 7420000.00 7030000.00 \N 532.3004 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N 535.2734 70400.00 57800.00 18500.00 16600.00 31700.00 67500.00 34800.00 16700.00 2700000.00 46100.00 2910000.00 124000.00 175000.00 2400000.00 2130000.00 12200.00 537.2886 15200.00 9590.00 13100.00 5930.00 9870.00 \N \N \N 3700000.00 64000.00 3370000.00 172000.00 315000.00 510000.00 348000.00 2590.00 551.2656 \N \N \N \N \N \N \N \N \N \N 31200.00 \N \N \N \N \N 554.3483 792000.00 741000.00 824000.00 794000.00 640000.00 664000.00 1520000.00 1200000.00 425000.00 431000.00 642000.00 468000.00 675000.00 688000.00 662000.00 709000.00 555.3528 12300000.00 11600000.00 13200000.00 12800000.00 10300000.00 10600000.00 24100000.00 6060000.00 6620000.00 6730000.00 10400000.00 12800.00 18600.00 10800000.00 10300000.00 10900000.00 556.3540 2580000.00 2450000.00 2740000.00 2640000.00 2130000.00 2190000.00 4940000.00 70200.00 1380000.00 1390000.00 2170000.00 1500000.00 2110000.00 2240000.00 2150000.00 2290000.00 564.3310 3250000.00 3210000.00 3270000.00 3250000.00 3010000.00 3110000.00 3990000.00 3230000.00 2390000.00 2470000.00 2690000.00 3270000.00 4620000.00 2620000.00 2510000.00 3070000.00 564.3438 1500000.00 1440000.00 1280000.00 1230000.00 1070000.00 1130000.00 760000.00 817000.00 31800.00 33900.00 818000.00 613000.00 860000.00 1570000.00 26300.00 1560000.00 566.3392 194000.00 188000.00 11700000.00 5020000.00 11000000.00 4320000.00 14500000.00 195000.00 8630000.00 4810000.00 9830000.00 10700000.00 7660000.00 9490000.00 148000.00 5520000.00 568.3653 105000.00 96700.00 121000.00 119000.00 116000.00 117000.00 305000.00 242000.00 87000.00 88800.00 56700.00 90300.00 133000.00 116000.00 111000.00 163000.00 568.3654 1000000.00 935000.00 1310000.00 1270000.00 1180000.00 1220000.00 3070000.00 2430000.00 855000.00 888000.00 790000.00 899000.00 1320000.00 1190000.00 1130000.00 1500000.00 570.3696 3860000.00 58600.00 81100.00 80800.00 74100.00 4720000.00 195000.00 155000.00 3240000.00 3410000.00 3040000.00 55900.00 5130000.00 75900.00 71800.00 95600.00 570.3698 385000.00 374000.00 7010.00 6890.00 6320.00 464000.00 18800.00 15000.00 339000.00 343000.00 208000.00 358000.00 7570.00 6330.00 6000.00 10000.00 572.2423 1530000.00 3150000.00 2580000.00 1170000.00 292000.00 450000.00 \N \N 1570000.00 1740000.00 1890000.00 128000.00 14900000.00 62500000.00 43500000.00 3310.00 574.2400 615000.00 1250000.00 1020000.00 496000.00 102000.00 185000.00 \N \N 645000.00 709000.00 761000.00 3090000.00 6150000.00 25100000.00 17700000.00 \N 580.2596 1200000.00 1100000.00 747000.00 694000.00 296000.00 325000.00 \N \N 323000.00 19300000.00 13900000.00 961000.00 967000.00 21600000.00 22200000.00 \N 580.4977 \N \N \N \N \N \N \N \N \N \N 45200.00 \N \N \N \N \N 581.5275 1230000.00 1170000.00 989000.00 1000000.00 1250000.00 1270000.00 1810000.00 1610000.00 1910000.00 1940000.00 1600000.00 830000.00 1200000.00 1680000.00 1640000.00 1390000.00 582.3799 600000.00 555000.00 653000.00 632000.00 502000.00 507000.00 1140000.00 896000.00 320000.00 320000.00 504000.00 343000.00 498000.00 524000.00 503000.00 531000.00 582.3804 43500.00 39700.00 2020000.00 1940000.00 30100000.00 1660000.00 70600.00 57200.00 27100.00 28600.00 1480000.00 31000.00 44200.00 40100.00 41500.00 46200.00 582.5131 289000.00 296000.00 1020000.00 954000.00 667000.00 705000.00 363000.00 344000.00 2020000.00 2120000.00 129000.00 256000.00 359000.00 63000.00 61000.00 219000.00 583.5347 95000.00 5590000.00 77500.00 78800.00 99000.00 103000.00 147000.00 7920000.00 155000.00 9390000.00 125000.00 66500.00 96200.00 136000.00 130000.00 6670000.00 585.2773 306000.00 272000.00 272000.00 187000.00 59200.00 58400.00 \N \N 5620000.00 6020000.00 5390000.00 369000.00 547000.00 108000.00 6410000.00 \N 588.3316 1160000.00 1120000.00 855000.00 842000.00 798000.00 841000.00 1070000.00 871000.00 1180000.00 1210000.00 1210000.00 1340000.00 1970000.00 1270000.00 1210000.00 893000.00 590.3475 127000.00 125000.00 105000.00 108000.00 93900.00 96800.00 138000.00 110000.00 81900.00 83100.00 102000.00 117000.00 177000.00 73100.00 72100.00 122000.00 598.5142 35900.00 36600.00 1700000.00 1770000.00 39800.00 40200.00 38000.00 41500.00 65800.00 65500.00 71000.00 2440000.00 46200.00 47800.00 51000.00 61700.00 599.1671 86500.00 56200.00 125000.00 83500.00 109000.00 76400.00 1220000.00 552000.00 32200.00 1190000.00 889000.00 73700.00 15000.00 49000.00 1290000.00 844000.00 599.5297 2320000.00 2250000.00 1930000.00 1980000.00 2560000.00 2380000.00 2720000.00 2650000.00 59800.00 62600.00 3360000.00 1920000.00 2440000.00 3190000.00 2980000.00 2750000.00 604.4966 \N \N \N \N \N \N \N \N \N \N 69700.00 \N \N \N \N \N 606.5111 \N \N \N \N \N \N \N \N \N \N 139000.00 \N \N \N \N \N 608.5281 \N \N \N \N \N \N \N \N \N \N 118000.00 \N \N \N \N \N 609.5553 48800000.00 48800000.00 41000000.00 42100000.00 45500000.00 55700000.00 70900000.00 70700000.00 1270000.00 1410000.00 72900000.00 14800000.00 54100000.00 1070000.00 1150000.00 64400000.00 610.5626 400000.00 375000.00 338000.00 342000.00 414000.00 425000.00 631000.00 538000.00 37600000.00 38400000.00 589000.00 276000.00 416000.00 33600000.00 32400000.00 491000.00 612.3338 571000.00 548000.00 412000.00 401000.00 417000.00 431000.00 839000.00 680000.00 417000.00 422000.00 582000.00 760000.00 1100000.00 555000.00 31500000.00 608000.00 614.3446 673000.00 1540000.00 1230000.00 1310000.00 1080000.00 1180000.00 1710000.00 1430000.00 674000.00 678000.00 11500.00 867000.00 2310000.00 522000.00 745000.00 1560000.00 621.4840 89000.00 84900.00 74100.00 77400.00 91700.00 93100.00 132000.00 116000.00 133000.00 138000.00 110000.00 62900.00 90500.00 116000.00 111000.00 102000.00 621.4844 \N \N \N \N \N \N \N \N \N \N 12400.00 \N \N \N \N \N 626.2976 1290000.00 1130000.00 1350000.00 1460000.00 474000.00 509000.00 \N \N 134000.00 8390000.00 217000.00 1130000.00 1680000.00 187000.00 173000.00 \N 626.5493 224000.00 224000.00 184000.00 189000.00 240000.00 237000.00 251000.00 242000.00 337000.00 344000.00 317000.00 201000.00 237000.00 289000.00 290000.00 268000.00 627.5623 792000.00 760000.00 671000.00 654000.00 868000.00 808000.00 1150000.00 1000000.00 1400000.00 1340000.00 1260000.00 9160.00 810000.00 19100.00 1000000.00 16000.00 636.3493 151000.00 132000.00 171000.00 193000.00 1980000.00 204000.00 7300.00 399000.00 134000.00 129000.00 48600.00 163000.00 211000.00 179000.00 173000.00 261000.00 636.3495 1670000.00 1570000.00 2220000.00 2140000.00 1970000.00 2040000.00 81800.00 66700.00 1430000.00 1500000.00 1320000.00 1490000.00 2210000.00 2050000.00 1970000.00 2450000.00 648.4818 14100.00 19800.00 158000.00 161000.00 95900.00 109000.00 41400.00 39200.00 47900.00 47900.00 164000.00 16900.00 38200.00 88200.00 88900.00 24600.00 650.2562 1980000.00 690000.00 97000.00 \N 42800.00 483000.00 40000.00 45000.00 51900000.00 54900000.00 12200000.00 973000.00 1780000.00 21200000.00 1120000.00 \N 650.4991 1270000.00 1250000.00 69900.00 65000.00 44800.00 48700.00 1440000.00 1390000.00 137000.00 138000.00 447000.00 1200000.00 1540000.00 225000.00 222000.00 1100000.00 651.2637 1330000.00 1180000.00 1120000.00 889000.00 345000.00 444000.00 \N \N 353000.00 363000.00 321000.00 1960000.00 2880000.00 415000.00 23000000.00 \N 654.5793 97500.00 95000.00 82300.00 82800.00 103000.00 107000.00 128000.00 120000.00 154000.00 157000.00 145000.00 4290000.00 98700.00 128000.00 130000.00 121000.00 654.5873 265000.00 63900.00 184000.00 172000.00 326000.00 176000.00 8800.00 243000.00 413000.00 127000.00 330000.00 237000.00 178000.00 429000.00 193000.00 218000.00 666.4476 240000.00 212000.00 4250000.00 253000.00 11700000.00 197000.00 436000.00 6610000.00 128000.00 131000.00 12100000.00 8580000.00 211000.00 206000.00 203000.00 3600000.00 667.4447 3440000.00 3120000.00 60900.00 3700000.00 44800.00 2860000.00 6120000.00 82800.00 1840000.00 1860000.00 46600.00 33300.00 3070000.00 2870000.00 2870000.00 51900.00 672.4860 \N \N \N \N \N \N \N \N \N \N 116000.00 \N \N \N \N \N 674.5005 \N \N \N \N \N \N \N \N \N \N 331000.00 \N \N \N \N \N 676.5161 \N \N \N \N \N \N \N \N \N \N 318000.00 \N \N \N \N \N 677.5447 3050000.00 2980000.00 2650000.00 2710000.00 3140000.00 3250000.00 3940000.00 3640000.00 4290000.00 4440000.00 4050000.00 2440000.00 3160000.00 3840000.00 3810000.00 3610000.00 678.5319 283000.00 268000.00 986000.00 985000.00 669000.00 678000.00 364000.00 312000.00 1040000.00 1060000.00 92300.00 203000.00 291000.00 2140000.00 2090000.00 193000.00 678.5323 \N \N \N \N \N \N \N \N \N \N 4180.00 \N \N \N \N \N 680.5573 2640000.00 2640000.00 2290000.00 2270000.00 2760000.00 2880000.00 3440000.00 3100000.00 62400.00 3730000.00 3460000.00 2140000.00 2730000.00 3250000.00 3250000.00 3070000.00 692.6149 \N \N \N \N \N \N \N \N \N \N \N \N \N 4550.00 \N \N 692.6234 680000.00 667000.00 902000.00 837000.00 782000.00 858000.00 849000.00 822000.00 2890000.00 3330000.00 80300.00 552000.00 820000.00 94300.00 92300.00 542000.00 696.4871 \N \N \N \N \N \N \N \N \N \N 50600.00 \N \N \N \N \N 698.4973 \N \N \N \N \N \N \N \N \N \N 65200.00 \N \N \N \N \N 698.4976 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N 6alpha,7alpha-Dihydroxy-3-oxo-5beta-cholan-24-oic Acid 327000.00 314000.00 58700.00 74000.00 45100.00 119000.00 36400.00 11800.00 73000.00 79300.00 41800.00 36700.00 124000.00 1680000.00 1570000.00 51900.00 705.5818 41500000.00 17100000.00 29600000.00 30000000.00 41800000.00 6110000.00 4210000.00 8910000.00 61800000.00 14900000.00 23900000.00 707000.00 16200000.00 1310000.00 12800000.00 5690000.00 706.5791 461000.00 438000.00 391000.00 399000.00 487000.00 503000.00 633000.00 592000.00 707000.00 719000.00 665000.00 19600000.00 463000.00 36600000.00 605000.00 570000.00 722.4963 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N 723.5378 2130000.00 2150000.00 1810000.00 1730000.00 2560000.00 2200000.00 2880000.00 3280000.00 3640000.00 4460000.00 2860000.00 54100.00 2840000.00 72800.00 3020000.00 61900.00 745.5565 637000.00 21300.00 673000.00 1940000.00 1950000.00 618000.00 57300.00 1310000.00 462000.00 1100000.00 220000.00 1320000.00 404000.00 1400000.00 194000.00 302000.00 745.5658 243000.00 210000.00 214000.00 207000.00 214000.00 234000.00 6940.00 411000.00 163000.00 198000.00 202000.00 205000.00 257000.00 299000.00 282000.00 200000.00 747.5690 323000.00 309000.00 355000.00 353000.00 322000.00 328000.00 552000.00 463000.00 215000.00 226000.00 216000.00 211000.00 292000.00 291000.00 287000.00 266000.00 748.6080 1500000.00 1450000.00 1360000.00 1360000.00 1500000.00 1560000.00 1300000.00 1270000.00 2210000.00 2240000.00 60200.00 835000.00 1210000.00 2850000.00 2840000.00 1250000.00 751.5503 1300000.00 1230000.00 1680000.00 1620000.00 1240000.00 1220000.00 1550000.00 20500.00 979000.00 931000.00 1050000.00 610000.00 908000.00 951000.00 961000.00 723000.00 758.5969 655000.00 689000.00 1290000.00 1290000.00 965000.00 1000000.00 992000.00 885000.00 139000.00 141000.00 121000.00 292000.00 518000.00 244000.00 236000.00 404000.00 760.6129 3560000.00 3270000.00 75300.00 77100.00 70700.00 4050000.00 73500.00 4150000.00 251000.00 247000.00 364000.00 2940000.00 4170000.00 416000.00 412000.00 2560000.00 762.6169 6500.00 420000.00 542000.00 537000.00 514000.00 526000.00 549000.00 7680.00 1720000.00 1730000.00 2870000.00 356000.00 8050.00 2870000.00 2880000.00 330000.00 762.6268_1 56800.00 56000.00 67200.00 67300.00 65400.00 66800.00 58400.00 57800.00 79000.00 78700.00 160000.00 2250000.00 52700.00 103000.00 100000.00 3190000.00 762.6268_2 120000.00 159000.00 252000.00 256000.00 204000.00 235000.00 4030.00 231000.00 5370.00 307000.00 7840.00 230000.00 329000.00 9140.00 552000.00 163000.00 775.5974 1970000.00 2000000.00 2330000.00 2330000.00 2190000.00 2300000.00 62100.00 51500.00 1570000.00 1640000.00 1730000.00 1430000.00 1890000.00 42400.00 2440000.00 1510000.00 778.5568 1890000.00 5970000.00 2340000.00 4220000.00 1710000.00 160000.00 1510000.00 904000.00 3970000.00 4910000.00 8310000.00 805000.00 4270000.00 3940000.00 9480000.00 82900.00 805.5647 594000.00 457000.00 484000.00 395000.00 10200.00 7660.00 948000.00 587000.00 899000.00 10700.00 731000.00 496000.00 7410.00 14300.00 8970.00 8790.00 806.5881 10900000.00 304000.00 17000000.00 16800000.00 5430000.00 286000.00 12200000.00 25100000.00 858000.00 11600000.00 3640000.00 2100000.00 12500000.00 2030000.00 306000.00 299000.00 807.5991 163000.00 9660000.00 182000.00 180000.00 146000.00 9250000.00 274000.00 224000.00 108000.00 109000.00 158000.00 104000.00 143000.00 164000.00 9500000.00 9380000.00 829.5709 5800.00 346000.00 463000.00 457000.00 356000.00 394000.00 388000.00 307000.00 4400.00 272000.00 128000.00 185000.00 231000.00 290000.00 292000.00 185000.00 829.5823 13100000.00 354000.00 370000.00 13500000.00 11200000.00 314000.00 400000.00 11700000.00 12000000.00 12300000.00 190000.00 8090000.00 10400000.00 321000.00 12000000.00 262000.00 833.5980 4480000.00 4420000.00 5110000.00 4930000.00 4370000.00 4570000.00 5400000.00 5100000.00 3210000.00 3400000.00 2380000.00 2690000.00 3690000.00 62400.00 3860000.00 3400000.00 853.5748 4720000.00 4590000.00 3530000.00 3810000.00 2370000.00 3680000.00 1050000.00 4130000.00 4460000.00 4110000.00 551000.00 590000.00 1910000.00 3600000.00 139000.00 2700000.00 855.6602 92800.00 87100.00 102000.00 102000.00 86400.00 91800.00 178000.00 142000.00 3180000.00 3280000.00 1610000.00 2820000.00 4070000.00 3640000.00 3470000.00 3960000.00 857.6815 204000.00 185000.00 235000.00 227000.00 199000.00 208000.00 416000.00 335000.00 138000.00 140000.00 89400.00 142000.00 204000.00 186000.00 176000.00 6370000.00 858.6838 6560000.00 6070000.00 7830000.00 7440000.00 6650000.00 6900000.00 13700000.00 11200000.00 4510000.00 4610000.00 2970000.00 4780000.00 6830000.00 6080000.00 5860000.00 91300.00 862.6596 177000.00 159000.00 183000.00 173000.00 140000.00 145000.00 278000.00 226000.00 92300.00 94700.00 145000.00 108000.00 150000.00 155000.00 146000.00 159000.00 898.5861 435000.00 711000.00 1710000.00 1320000.00 408000.00 1670000.00 120000.00 446000.00 2520000.00 1530000.00 63500.00 65100.00 359000.00 86900.00 1440000.00 783000.00 8-methoxy-13-hydroxy-9,11-octadecadienoic acid 894000.00 982000.00 1420000.00 1410000.00 1210000.00 1230000.00 1420000.00 1180000.00 77500.00 74300.00 72200.00 634000.00 793000.00 66100.00 57100.00 740000.00 9-deoxy-9-methylene-PGE2 131000.00 115000.00 197000.00 195000.00 204000.00 206000.00 501000.00 420000.00 70800.00 66900.00 70200.00 139000.00 211000.00 83000.00 73800.00 331000.00 Antiarone J \N \N \N \N \N \N \N \N \N \N 49900.00 \N \N \N \N \N Artonol C 141000.00 139000.00 193000.00 187000.00 161000.00 168000.00 1300000.00 1240000.00 2650000.00 2790000.00 1460000.00 92700.00 153000.00 3090000.00 2980000.00 1830000.00 cholesterol sulfate 133000.00 124000.00 137000.00 136000.00 117000.00 120000.00 205000.00 159000.00 86100.00 84000.00 88200.00 85400.00 120000.00 128000.00 119000.00 98600.00 Cholic acid 1580000.00 1510000.00 519000.00 477000.00 523000.00 543000.00 607000.00 460000.00 648000.00 695000.00 473000.00 1490000.00 40300.00 487000.00 477000.00 613000.00 Cucurbitacin J 118000.00 92500.00 97700.00 81200.00 32300.00 32300.00 \N \N 6280000.00 6780000.00 232000.00 247000.00 212000.00 10700000.00 8640000.00 \N DGTS(16:0/18:2(9Z,12Z)) 1550000.00 1490000.00 2080000.00 2030000.00 1820000.00 1850000.00 1590000.00 1510000.00 2470000.00 2510000.00 111000.00 984000.00 1430000.00 3390000.00 3480000.00 1160000.00 DHA 1730000.00 1770000.00 1840000.00 2040000.00 1910000.00 2020000.00 72900.00 69700.00 247000.00 262000.00 275000.00 1240000.00 1970000.00 242000.00 255000.00 2850000.00 Glycocholic Acid 268000.00 247000.00 257000.00 192000.00 63400.00 79400.00 \N \N 13500000.00 258000.00 128000.00 579000.00 937000.00 234000.00 197000.00 11600.00 L-Olivosyl-oleandolide 36000000.00 16500000.00 17800000.00 25800000.00 177000.00 3420000.00 672000.00 510000.00 87500000.00 465000000.00 80000000.00 54500000.00 64700000.00 346000000.00 172000000.00 26300.00 PA(20:0/22:4(7Z,10Z,13Z,16Z)) 55200.00 54500.00 114000.00 108000.00 81500.00 4990000.00 81900.00 72500.00 108000.00 112000.00 145000.00 2170000.00 2900000.00 116000.00 116000.00 2440000.00 PA(22:0/22:4(7Z,10Z,13Z,16Z)) 1570000.00 1470000.00 1670000.00 26500.00 1370000.00 1400000.00 1650000.00 1440000.00 1780000.00 1890000.00 1500000.00 770000.00 1070000.00 1950000.00 1910000.00 18300.00 PA(22:1(11Z)/22:4(7Z,10Z,13Z,16Z)) 28800000.00 28400000.00 31600000.00 30900000.00 25700000.00 27300000.00 30900000.00 27500000.00 33700000.00 34800000.00 27100000.00 14400000.00 20000000.00 35600000.00 600000.00 21200000.00 Palmitic acid 1630000.00 1330000.00 2360000.00 2170000.00 2060000.00 2060000.00 1980000.00 1690000.00 47700.00 49000.00 70100.00 1180000.00 1810000.00 41700.00 2450000.00 1640000.00 PC(10:0/21:0) 234000.00 225000.00 258000.00 251000.00 193000.00 201000.00 355000.00 292000.00 159000.00 159000.00 225000.00 157000.00 240000.00 231000.00 223000.00 234000.00 PC(13:0/0:0)_1 2430000.00 2630000.00 53300.00 2720000.00 1980000.00 2100000.00 66500.00 2690000.00 53000.00 53700.00 60400.00 2330000.00 72000.00 58000.00 2900000.00 2990000.00 PC(13:0/0:0)_2 108000.00 98100.00 33300.00 27200.00 37900.00 26900.00 57800.00 46300.00 1680000.00 1760000.00 985000.00 58800.00 83200.00 18300.00 1000000.00 135000.00 PC(13:0/18:2(9Z,12Z)) 497000.00 434000.00 726000.00 721000.00 487000.00 545000.00 506000.00 385000.00 43900.00 44700.00 1790000.00 431000.00 690000.00 56700.00 54900.00 563000.00 PC(13:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 748000.00 649000.00 578000.00 582000.00 516000.00 495000.00 766000.00 672000.00 45000.00 46900.00 1440000.00 465000.00 740000.00 67000.00 64000.00 708000.00 PC(15:0/0:0) 2280000.00 2230000.00 2680000.00 2460000.00 2410000.00 2300000.00 96400.00 75700.00 1680000.00 1750000.00 1490000.00 2110000.00 3030000.00 2140000.00 2100000.00 54100.00 PC(15:0/18:2(9Z,12Z)) 1100000.00 1010000.00 1690000.00 1530000.00 1170000.00 1190000.00 962000.00 765000.00 2730000.00 2830000.00 1870000.00 1110000.00 1660000.00 54000.00 48700.00 1430000.00 PC(17:0/10:0) 328000.00 313000.00 380000.00 369000.00 286000.00 300000.00 527000.00 452000.00 210000.00 221000.00 313000.00 233000.00 324000.00 288000.00 291000.00 352000.00 PC(17:2(9Z,12Z)/0:0) 2460000.00 2390000.00 2460000.00 2280000.00 2280000.00 2360000.00 2970000.00 2130000.00 1650000.00 1690000.00 2050000.00 2250000.00 58000.00 1890000.00 1740000.00 2290000.00 PC(18:2(9Z,12E)/17:2(9Z,11E))_1 1590000.00 1470000.00 1610000.00 1580000.00 1290000.00 1320000.00 1440000.00 1180000.00 60900.00 64400.00 2400000.00 1120000.00 1720000.00 75700.00 76700.00 1540000.00 PC(18:2(9Z,12E)/17:2(9Z,11E))_2 1590000.00 1470000.00 1610000.00 1580000.00 1290000.00 1320000.00 1440000.00 1180000.00 3170.00 3900000.00 2400000.00 1120000.00 1700000.00 4520000.00 4640000.00 1540000.00 PE(18:2(9Z,12Z)/0:0) 165000.00 156000.00 227000.00 223000.00 166000.00 171000.00 150000.00 118000.00 55200.00 56900.00 54800.00 139000.00 226000.00 51300.00 2940000.00 116000.00 PE(20:4(5Z,8Z,11Z,14Z)/0:0) 300000.00 278000.00 297000.00 292000.00 228000.00 236000.00 235000.00 188000.00 133000.00 135000.00 120000.00 167000.00 277000.00 98300.00 93800.00 145000.00 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) 211000.00 205000.00 168000.00 165000.00 130000.00 142000.00 185000.00 153000.00 47600.00 47800.00 63700.00 125000.00 214000.00 3020000.00 2830000.00 102000.00 PE(O-16:0/20:5(5Z,8Z,11Z,14Z,17Z)) 2110000.00 1930000.00 49200.00 48500.00 2160000.00 2310000.00 41300.00 2040000.00 1630000.00 1720000.00 45700.00 858000.00 1240000.00 1920000.00 1950000.00 983000.00 PE(O-16:0/22:5(4Z,7Z,10Z,13Z,16Z)) 47200.00 2720000.00 58800.00 60400.00 2540000.00 2700000.00 56700.00 2700000.00 1970000.00 1980000.00 2200000.00 1300000.00 2050000.00 2110000.00 2030000.00 1590000.00 PE(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 1820000.00 1700000.00 37900.00 36000.00 1780000.00 1900000.00 46400.00 38900.00 1690000.00 1620000.00 2070000.00 1050000.00 1560000.00 1760000.00 1770000.00 1010000.00 PE(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 2120000.00 1940000.00 2280000.00 2240000.00 1650000.00 1700000.00 48200.00 2500000.00 1820000.00 1830000.00 1670000.00 1460000.00 2090000.00 1950000.00 1890000.00 1270000.00 PE(P-20:0/22:4(7Z,10Z,13Z,16Z)) 75800.00 64800.00 56200.00 107000.00 20200.00 93500.00 164000.00 142000.00 353000.00 471000.00 402000.00 81700.00 114000.00 17600.00 658000.00 81700.00 PG(14:0/14:0) 9460000.00 13600000.00 14100000.00 17900000.00 503000.00 3600000.00 24500000.00 7790000.00 8500000.00 4210000.00 520000.00 373000.00 5840000.00 4390000.00 4790000.00 5720000.00 PG(22:0/12:0) 330000.00 319000.00 386000.00 369000.00 281000.00 302000.00 532000.00 444000.00 211000.00 212000.00 313000.00 231000.00 325000.00 315000.00 306000.00 342000.00 PGF2alpha_1 23300.00 13800.00 260000.00 269000.00 308000.00 306000.00 413000.00 296000.00 214000.00 224000.00 79400.00 38500.00 24700.00 121000.00 210000.00 15700.00 PGF2alpha_2 37000.00 30100.00 51500.00 290000.00 60500.00 120000.00 82900.00 161000.00 242000.00 224000.00 1530000.00 3820.00 31900.00 49000.00 210000.00 37300.00 PI(12:0/22:2(13Z,16Z)) 924000.00 909000.00 35900.00 35400.00 1200000.00 1340000.00 583000.00 506000.00 1350000.00 1350000.00 169000.00 977000.00 53300.00 617000.00 494000.00 937000.00 PI(13:0/22:0) 1360000.00 1360000.00 1250000.00 1210000.00 845000.00 934000.00 1530000.00 1310000.00 762000.00 784000.00 329000.00 9220.00 763000.00 798000.00 789000.00 715000.00 PI(14:0/22:2(13Z,16Z)) 1650000.00 1610000.00 67200.00 3670000.00 2120000.00 2160000.00 910000.00 785000.00 41100.00 2670000.00 365000.00 1780000.00 94000.00 1140000.00 911000.00 1690000.00 PI(14:0/22:4(7Z,10Z,13Z,16Z)) 1340000.00 1280000.00 41800.00 42800.00 1430000.00 1570000.00 716000.00 719000.00 1780000.00 1770000.00 66100.00 1250000.00 59800.00 706000.00 632000.00 1280000.00 PI(18:0/20:4(5Z,8Z,11Z,14Z)) 8220000.00 9160000.00 10200000.00 12900000.00 3640000.00 160000.00 1740000.00 4800000.00 14500000.00 13000000.00 946000.00 1620000.00 25300000.00 5870000.00 6760000.00 901000.00 PI(19:0/0:0) 12000000.00 11800000.00 8720000.00 8600000.00 8730000.00 9230000.00 17700000.00 14500000.00 8780000.00 9110000.00 12200000.00 16100000.00 23900000.00 11800000.00 185000.00 12800000.00 PI(20:4(5Z,8Z,11Z,14Z)/0:0) 657000.00 747000.00 891000.00 837000.00 496000.00 528000.00 620000.00 524000.00 58000.00 54100.00 573000.00 1260000.00 4200000.00 961000.00 609000.00 1160000.00 PS(13:0/22:0) 741000.00 230000.00 1160000.00 1070000.00 381000.00 223000.00 337000.00 83300.00 1210000.00 255000.00 53800.00 356000.00 183000.00 1960000.00 111000.00 98700.00 PS(14:0/14:0) 2940000.00 2600000.00 6200000.00 5820000.00 63200.00 3510000.00 2170000.00 1770000.00 6340000.00 5960000.00 10400000.00 99000.00 16900000.00 3860000.00 3130000.00 3960000.00 PS(15:0/22:0) 969000.00 945000.00 1060000.00 1030000.00 867000.00 904000.00 1050000.00 914000.00 1040000.00 1160000.00 917000.00 491000.00 667000.00 1200000.00 65200000.00 677000.00 PS(15:0/22:2(13Z,16Z)) 3910000.00 4210000.00 3610000.00 3580000.00 2480000.00 2560000.00 4050000.00 3370000.00 4940000.00 2360000.00 1670000.00 1950000.00 1000000.00 124000.00 122000.00 639000.00 PS(16:0/22:1(11Z)) 114000.00 104000.00 107000.00 105000.00 94600.00 95900.00 107000.00 89400.00 73400.00 73400.00 3400000.00 2480000.00 59900.00 78800.00 77300.00 3420000.00 PS(17:0/22:0) 185000.00 178000.00 247000.00 243000.00 204000.00 215000.00 295000.00 244000.00 149000.00 151000.00 128000.00 108000.00 155000.00 174000.00 172000.00 171000.00 PS(17:0/22:1(11Z)) 2690000.00 2610000.00 2900000.00 2900000.00 2570000.00 2670000.00 3310000.00 2960000.00 1950000.00 2000000.00 1520000.00 1610000.00 2140000.00 2280000.00 2290000.00 1940000.00 PS(17:1(9Z)/22:2(13Z,16Z))_1 1360000.00 1300000.00 974000.00 954000.00 848000.00 862000.00 1150000.00 1010000.00 1360000.00 1400000.00 919000.00 590000.00 803000.00 1720000.00 1690000.00 533000.00 PS(17:1(9Z)/22:2(13Z,16Z))_2 231000.00 219000.00 287000.00 281000.00 217000.00 229000.00 228000.00 189000.00 164000.00 171000.00 77600.00 108000.00 152000.00 186000.00 180000.00 127000.00 PS(19:0/0:0) 60300.00 57600.00 63200.00 59900.00 3020000.00 3180000.00 99500.00 83500.00 2430000.00 2500000.00 52400.00 55600.00 83400.00 2890000.00 2740000.00 71200.00 PS(19:0/22:2(13Z,16Z))_1 190000.00 154000.00 190000.00 188000.00 163000.00 163000.00 262000.00 221000.00 125000.00 124000.00 88500.00 118000.00 159000.00 129000.00 111000.00 156000.00 PS(19:0/22:2(13Z,16Z))_2 9070000.00 8970000.00 7270000.00 114000.00 6360000.00 6910000.00 10300000.00 9200000.00 7200000.00 7400000.00 5300000.00 5190000.00 7290000.00 10300000.00 165000.00 91500.00 PS(19:0/22:4(7Z,10Z,13Z,16Z))_1 202000.00 8160000.00 151000.00 147000.00 157000.00 124000.00 196000.00 166000.00 170000.00 4970000.00 95300.00 115000.00 158000.00 192000.00 3580000.00 109000.00 PS(19:0/22:4(7Z,10Z,13Z,16Z))_2 48200.00 43700.00 42000.00 40500.00 5500000.00 31900.00 50900.00 42600.00 31200.00 27700.00 19800.00 4240000.00 5320000.00 31500.00 3580000.00 28200.00 PS(19:1(9Z)/22:2(13Z,16Z)) 999000.00 979000.00 802000.00 787000.00 709000.00 742000.00 1150000.00 1010000.00 795000.00 818000.00 591000.00 600000.00 812000.00 1110000.00 1110000.00 591000.00 PS(19:1(9Z)/22:4(7Z,10Z,13Z,16Z))_1 802000.00 750000.00 554000.00 553000.00 488000.00 499000.00 1060000.00 917000.00 693000.00 726000.00 459000.00 360000.00 487000.00 988000.00 950000.00 361000.00 PS(19:1(9Z)/22:4(7Z,10Z,13Z,16Z))_2 44100.00 41200.00 39800.00 38600.00 30100.00 31400.00 2580000.00 2400000.00 1480000.00 1460000.00 630000.00 1120000.00 25300.00 1570000.00 1310000.00 22900.00 PS(21:0/0:0) 571000.00 551000.00 610000.00 595000.00 509000.00 538000.00 890000.00 709000.00 456000.00 470000.00 531000.00 489000.00 726000.00 456000.00 446000.00 657000.00 PS(21:0/22:4(7Z,10Z,13Z,16Z)) 2910000.00 20600.00 19700.00 19900.00 2640000.00 2750000.00 34800.00 29200.00 2020000.00 2100000.00 1440000.00 1750000.00 2470000.00 3090000.00 3010000.00 2170000.00 PS(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 82600.00 78800.00 57900.00 56500.00 46800.00 47800.00 97200.00 86000.00 52500.00 55200.00 1390000.00 2050000.00 45600.00 63200.00 62400.00 47100.00 PS(22:0/12:0) 1410000.00 1820000.00 2590000.00 2820000.00 1740000.00 1890000.00 1030000.00 1230000.00 3280000.00 3370000.00 5050000.00 1790000.00 145000.00 1960000.00 1520000.00 2410000.00 PS(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 84700.00 91600.00 150000.00 147000.00 89900.00 93000.00 56000.00 53100.00 160000.00 169000.00 753000.00 103000.00 299000.00 80300.00 66900.00 95600.00 PT(18:0/18:1(9Z)) 3860000.00 3750000.00 3860000.00 3740000.00 3370000.00 3460000.00 3740000.00 3340000.00 3750000.00 3890000.00 2940000.00 2200000.00 2810000.00 4410000.00 4460000.00 2290000.00 Stearic acid 1080000.00 1010000.00 1710000.00 1710000.00 1580000.00 1340000.00 1580000.00 1190000.00 1570000.00 1500000.00 37400.00 959000.00 1260000.00 1520000.00 1350000.00 1090000.00 Sulfoglycolithocholic acid 136000.00 129000.00 89600.00 73900.00 39500.00 41400.00 86500.00 74900.00 3220000.00 3320000.00 2390000.00 112000.00 119000.00 3700000.00 3540000.00 19200.00 Taurochenodeoxycholic acid 389000.00 365000.00 175000.00 8940000.00 78300.00 5020000.00 445000.00 39700.00 8490000.00 8780000.00 6900000.00 424000.00 517000.00 9580000.00 8520000.00 155000.00 Taurocholic acid_1 94300000.00 1920000.00 101000000.00 1440000.00 16900000.00 656000.00 289000.00 1840000.00 44600000.00 45100000.00 42100000.00 74500000.00 3600000.00 3240000000.00 49300000.00 786000.00 Taurocholic acid_2 72200000.00 30100000.00 81200000.00 20700000.00 15500000.00 25400000.00 2300000.00 582000.00 291000000.00 1560000000.00 528000000.00 3020000.00 104000000.00 1160000000.00 1860000000.00 856000.00 Taurolithocholic acid 89100.00 77600.00 53400.00 44400.00 28700.00 33300.00 6540.00 \N 70500.00 72500.00 36600.00 151000.00 218000.00 2200000.00 2000000.00 11300.00 TG(17:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))[iso3] 768000.00 744000.00 886000.00 831000.00 671000.00 750000.00 26000.00 1160000.00 410000.00 432000.00 196000.00 404000.00 525000.00 483000.00 445000.00 525000.00 metabolite_name retention index quantified m/z PubChem ID KEGG ID (+)-Blennin D 0.47 265.1454 42608176 \N (25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-27-oyl taurine 1.66 540.3314 42608426 \N (3'-sulfo)Galbeta-Cer(d18:1/22:0(2OH)) 7.92 878.5973 \N \N 1-(8-[3]-ladderane-octanoyl-2-(8-[3]-ladderane-octanyl)-sn-glycerol 8.29 649.5164 24778515 \N 1,035.5586 0.32 1,035.5586 \N \N 1,035.6697 1.66 1,035.6697 \N \N 1,037.5698 0.30 1,037.5698 \N \N 1,051.5657 0.32 1,051.5657 \N \N 1,052.5688 0.32 1,052.5688 \N \N 1,053.5586 0.32 1,053.5586 \N \N 1,083.6610 1.17 1,083.6610 \N \N 1,2-ditetradecanoyl-sn-glycero-3-phosphosulfocholine 6.26 679.4388 42607418 \N 12-hydroxy-5Z,8Z,10Z,14Z-Eicosatetraenoic acid 1.04 319.2287 9543626 \N 16-methyl-6Z,9Z-heptadecadienoic acid 3.42 279.2340 5312303 \N 17:0 Cholesteryl ester 10.51 637.5912 14077841 \N 18-methyl-5Z,8Z,11Z,14Z-nonadecatetraenoic acid 3.15 303.2338 5312315 \N 1a,1b-dihomo-15-deoxy-delta-12,14-PGJ2 0.93 343.2286 16061095 \N 201.0207 0.33 201.0207 \N \N 201.0383 0.31 201.0383 \N \N 204.9710 6.90 204.9710 \N \N 205.8392 0.29 205.8392 \N \N 205.8402 0.65 205.8402 \N \N 207.8372 0.29 207.8372 \N \N 207.9289 1.70 207.9289 \N \N 207.9302 0.72 207.9302 \N \N 207.9305 0.46 207.9305 \N \N 207.9313 0.69 207.9313 \N \N 209.0649 0.31 209.0649 \N \N 209.0664 0.30 209.0664 \N \N 209.8343 0.31 209.8343 \N \N 210.8831 1.52 210.8831 \N \N 210.8839 0.91 210.8839 \N \N 212.0022 0.29 212.0022 \N \N 212.8818 1.42 212.8818 \N \N 213.0150 0.32 213.0150 \N \N 215.0312 0.31 215.0312 \N \N 215.0329 0.29 215.0329 \N \N 215.8683 0.33 215.8683 \N \N 215.8687 0.88 215.8687 \N \N 215.8688 0.88 215.8688 \N \N 215.8690 1.33 215.8690 \N \N 217.0284 0.29 217.0284 \N \N 217.8653 0.32 217.8653 \N \N 217.8657 0.89 217.8657 \N \N 217.8659 0.67 217.8659 \N \N 217.8661 1.32 217.8661 \N \N 221.0098 0.22 221.0098 \N \N 222.7914 0.36 222.7914 \N \N 223.0439 0.32 223.0439 \N \N 223.0459 0.32 223.0459 \N \N 224.0778 0.32 224.0778 \N \N 224.7905 0.37 224.7905 \N \N 224.9998 0.32 224.9998 \N \N 225.0612 0.30 225.0612 \N \N 225.8962 0.90 225.8962 \N \N 225.8978_1 0.89 225.8978 \N \N 225.8978_2 0.53 225.8978 \N \N 229.9208 0.33 229.9208 \N \N 231.9318 0.43 231.9318 \N \N 231.9319 0.85 231.9319 \N \N 235.9260 0.91 235.9260 \N \N 235.9261_1 0.91 235.9261 \N \N 235.9261_2 0.45 235.9261 \N \N 239.0773 0.30 239.0773 \N \N 242.0525 0.28 242.0525 \N \N 243.0623 0.30 243.0623 \N \N 243.9677 0.34 243.9677 \N \N 248.9610 6.90 248.9610 \N \N 248.9724 0.25 248.9724 \N \N 265.1480 0.62 265.1480 \N \N 269.0882 0.30 269.0882 \N \N 273.0490 0.34 273.0490 \N \N 276.0767 0.33 276.0767 \N \N 277.0732 0.33 277.0732 \N \N 278.1230 0.30 278.1230 \N \N 280.8976 14.76 280.8976 \N \N 280.8978 14.26 280.8978 \N \N 282.9586 0.30 282.9586 \N \N 283.1033 0.31 283.1033 \N \N 287.0891 0.30 287.0891 \N \N 292.1401 0.31 292.1401 \N \N 293.0488 1.11 293.0488 \N \N 293.1762 0.49 293.1762 \N \N 293.1791 1.06 293.1791 \N \N 295.1092 0.43 295.1092 \N \N 297.1529 0.64 297.1529 \N \N 2-methyl-16-heptadecenoic acid 4.54 281.2484 5312302 \N 302.1024 0.28 302.1024 \N \N 311.1685 0.83 311.1685 \N \N 313.1192 0.34 313.1192 \N \N 315.0981 0.31 315.0981 \N \N 321.0440 0.29 321.0440 \N \N 325.1203 0.48 325.1203 \N \N 325.1844 1.06 325.1844 \N \N 327.2552 4.54 327.2552 \N \N 352.8536 0.39 352.8536 \N \N 352.8546 0.69 352.8546 \N \N 360.9754 0.31 360.9754 \N \N 367.1063 0.29 367.1063 \N \N 376.0680 0.58 376.0680 \N \N 38:5(23Z,26Z,29Z,32Z,35Z) 7.45 553.4949 52921812 \N 4,7,10,13,16,19-Docosahexaynoic acid 0.41 315.1365 9543592 \N 421.1566 0.53 421.1566 \N \N 428.9632 0.31 428.9632 \N \N 431.1842 0.53 431.1842 \N \N 433.2213 1.05 433.2213 \N \N 448.1743 0.53 448.1743 \N \N 449.1512 0.38 449.1512 \N \N 451.2698 0.40 451.2698 \N \N 453.2804 1.72 453.2804 \N \N 453.2854 0.45 453.2854 \N \N 484.2743 0.33 484.2743 \N \N 5,7-Dihydroxy-6-C-methylflavone 7-xylosyl-(1->3)-xyloside 0.37 531.1495 44257623 \N 500.2911 0.39 500.2911 \N \N 501.2895 0.37 501.2895 \N \N 510.2556 0.30 510.2556 \N \N 516.2854 0.32 516.2854 \N \N 518.2889 0.32 518.2889 \N \N 520.9117 6.91 520.9117 \N \N 521.9119_1 14.83 521.9119 \N \N 521.9119_2 14.52 521.9119 \N \N 521.9130 6.91 521.9130 \N \N 522.3648 6.90 522.3648 \N \N 523.3577 6.90 523.3577 \N \N 527.2692 0.34 527.2692 \N \N 530.2802 0.30 530.2802 \N \N 532.3004 0.34 532.3004 \N \N 535.2734 0.38 535.2734 \N \N 537.2886 0.34 537.2886 \N \N 551.2656 0.32 551.2656 \N \N 554.3483 2.30 554.3483 \N \N 555.3528 2.27 555.3528 \N \N 556.3540 2.30 556.3540 \N \N 564.3310 1.17 564.3310 \N \N 564.3438 5.46 564.3438 \N \N 566.3392 1.17 566.3392 \N \N 568.3653 2.76 568.3653 \N \N 568.3654 3.10 568.3654 \N \N 570.3696 3.10 570.3696 \N \N 570.3698 2.76 570.3698 \N \N 572.2423 0.31 572.2423 \N \N 574.2400 0.29 574.2400 \N \N 580.2596 0.30 580.2596 \N \N 580.4977 7.32 580.4977 \N \N 581.5275 8.30 581.5275 \N \N 582.3799 3.99 582.3799 \N \N 582.3804 3.66 582.3804 \N \N 582.5131 8.07 582.5131 \N \N 583.5347 8.30 583.5347 \N \N 585.2773 0.31 585.2773 \N \N 588.3316 1.11 588.3316 \N \N 590.3475 1.43 590.3475 \N \N 598.5142 8.29 598.5142 \N \N 599.1671 0.52 599.1671 \N \N 599.5297 9.24 599.5297 \N \N 604.4966 6.81 604.4966 \N \N 606.5111 7.46 606.5111 \N \N 608.5281 8.12 608.5281 \N \N 609.5553 9.24 609.5553 \N \N 610.5626 9.24 610.5626 \N \N 612.3338 1.01 612.3338 \N \N 614.3446 1.22 614.3446 \N \N 621.4840 7.45 621.4840 \N \N 621.4844 6.80 621.4844 \N \N 626.2976 0.31 626.2976 \N \N 626.5493 9.25 626.5493 \N \N 627.5623 10.51 627.5623 \N \N 636.3493 2.78 636.3493 \N \N 636.3495 3.10 636.3495 \N \N 648.4818 7.32 648.4818 \N \N 650.2562 0.31 650.2562 \N \N 650.4991 8.07 650.4991 \N \N 651.2637 0.31 651.2637 \N \N 654.5793 10.51 654.5793 \N \N 654.5873 9.24 654.5873 \N \N 666.4476 6.33 666.4476 \N \N 667.4447 6.33 667.4447 \N \N 672.4860 6.80 672.4860 \N \N 674.5005 7.46 674.5005 \N \N 676.5161 8.09 676.5161 \N \N 677.5447 9.24 677.5447 \N \N 678.5319 8.96 678.5319 \N \N 678.5323 8.43 678.5323 \N \N 680.5573 9.24 680.5573 \N \N 692.6149 9.97 692.6149 \N \N 692.6234 11.27 692.6234 \N \N 696.4871 6.73 696.4871 \N \N 698.4973 7.35 698.4973 \N \N 698.4976 6.99 698.4976 \N \N 6alpha,7alpha-Dihydroxy-3-oxo-5beta-cholan-24-oic Acid 0.39 405.2641 5283921 \N 705.5818 10.53 705.5818 \N \N 706.5791 10.51 706.5791 \N \N 722.4963 7.15 722.4963 \N \N 723.5378 9.27 723.5378 \N \N 745.5565 6.74 745.5565 \N \N 745.5658 7.59 745.5658 \N \N 747.5690 7.42 747.5690 \N \N 748.6080 11.96 748.6080 \N \N 751.5503 8.71 751.5503 \N \N 758.5969 10.00 758.5969 \N \N 760.6129 11.27 760.6129 \N \N 762.6169 11.26 762.6169 \N \N 762.6268_1 12.41 762.6268 \N \N 762.6268_2 11.69 762.6268 \N \N 775.5974 8.26 775.5974 \N \N 778.5568 8.20 778.5568 \N \N 805.5647 10.51 805.5647 \N \N 806.5881 9.09 806.5881 \N \N 807.5991 9.09 807.5991 \N \N 829.5709 7.00 829.5709 \N \N 829.5823 7.56 829.5823 \N \N 833.5980 8.35 833.5980 \N \N 853.5748 7.41 853.5748 \N \N 855.6602 9.13 855.6602 \N \N 857.6815 10.20 857.6815 \N \N 858.6838 10.19 858.6838 \N \N 862.6596 11.57 862.6596 \N \N 898.5861 8.36 898.5861 \N \N 8-methoxy-13-hydroxy-9,11-octadecadienoic acid 3.42 325.2393 5283022 \N 9-deoxy-9-methylene-PGE2 3.15 349.2389 5283059 \N Antiarone J 1.05 455.2045 42607617 \N Artonol C 0.52 499.1723 10839101 \N cholesterol sulfate 4.92 465.3064 65076 \N Cholic acid 0.49 407.2797 221493 \N Cucurbitacin J 0.36 531.3010 270060 \N DGTS(16:0/18:2(9Z,12Z)) 11.43 734.5939 \N \N DHA 2.83 327.2333 15608515 \N Glycocholic Acid 0.37 464.3034 10140 \N L-Olivosyl-oleandolide 0.31 515.2898 443565 \N PA(20:0/22:4(7Z,10Z,13Z,16Z)) 8.20 779.5668 \N \N PA(22:0/22:4(7Z,10Z,13Z,16Z)) 8.21 807.5879 \N \N PA(22:1(11Z)/22:4(7Z,10Z,13Z,16Z)) 8.20 805.5786 \N \N Palmitic acid 4.40 255.2333 985 \N PC(10:0/21:0) 9.24 718.5418 \N \N PC(13:0/0:0)_1 1.73 452.2795 \N \N PC(13:0/0:0)_2 0.40 452.2752 \N \N PC(13:0/18:2(9Z,12Z)) 7.68 714.5114 \N \N PC(13:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 7.30 762.5073 \N \N PC(15:0/0:0) 1.66 480.3079 \N \N PC(15:0/18:2(9Z,12Z)) 8.49 742.5427 \N \N PC(17:0/10:0) 7.51 662.4752 \N \N PC(17:2(9Z,12Z)/0:0) 1.17 504.3094 \N \N PC(18:2(9Z,12E)/17:2(9Z,11E))_1 8.31 766.5385 \N \N PC(18:2(9Z,12E)/17:2(9Z,11E))_2 8.29 766.5389 \N \N PE(18:2(9Z,12Z)/0:0) 1.21 476.2802 \N \N PE(20:4(5Z,8Z,11Z,14Z)/0:0) 1.14 500.2795 \N \N PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) 1.05 524.2780 \N \N PE(O-16:0/20:5(5Z,8Z,11Z,14Z,17Z)) 7.87 722.5145 \N \N PE(O-16:0/22:5(4Z,7Z,10Z,13Z,16Z)) 8.71 750.5455 \N \N PE(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 7.62 746.5138 \N \N PE(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 8.41 774.5430 \N \N PE(P-20:0/22:4(7Z,10Z,13Z,16Z)) 11.27 806.5991 \N \N PG(14:0/14:0) 6.33 665.4447 \N \N PG(22:0/12:0) 8.44 749.5318 \N \N PGF2alpha_1 0.44 353.2342 5280363 \N PGF2alpha_2 0.43 353.2315 5280363 \N PI(12:0/22:2(13Z,16Z)) 6.99 833.5180 \N \N PI(13:0/22:0) 6.85 851.5664 \N \N PI(14:0/22:2(13Z,16Z)) 7.67 861.5549 \N \N PI(14:0/22:4(7Z,10Z,13Z,16Z)) 6.87 857.5158 \N \N PI(18:0/20:4(5Z,8Z,11Z,14Z)) 7.54 885.5445 \N \N PI(19:0/0:0) 1.01 613.3343 \N \N PI(20:4(5Z,8Z,11Z,14Z)/0:0) 0.82 619.2929 \N \N PS(13:0/22:0) 7.44 776.5505 \N \N PS(14:0/14:0) 6.25 678.4398 \N \N PS(15:0/22:0) 8.20 804.5813 \N \N PS(15:0/22:2(13Z,16Z)) 7.14 800.5479 \N \N PS(16:0/22:1(11Z)) 7.95 816.5785 \N \N PS(17:0/22:0) 9.09 832.6061 \N \N PS(17:0/22:1(11Z)) 8.35 830.5920 \N \N PS(17:1(9Z)/22:2(13Z,16Z))_1 7.40 826.5643 \N \N PS(17:1(9Z)/22:2(13Z,16Z))_2 7.00 826.5641 \N \N PS(19:0/0:0) 1.01 538.3165 \N \N PS(19:0/22:2(13Z,16Z))_1 8.55 856.6104 \N \N PS(19:0/22:2(13Z,16Z))_2 8.17 856.5992 \N \N PS(19:0/22:4(7Z,10Z,13Z,16Z))_1 7.41 852.5811 \N \N PS(19:0/22:4(7Z,10Z,13Z,16Z))_2 7.60 852.5813 \N \N PS(19:1(9Z)/22:2(13Z,16Z)) 8.17 854.5925 \N \N PS(19:1(9Z)/22:4(7Z,10Z,13Z,16Z))_1 7.18 850.5658 \N \N PS(19:1(9Z)/22:4(7Z,10Z,13Z,16Z))_2 6.85 850.5656 \N \N PS(21:0/0:0) 1.84 566.3461 \N \N PS(21:0/22:4(7Z,10Z,13Z,16Z)) 7.99 880.6027 \N \N PS(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 7.19 876.5755 \N \N PS(22:0/12:0) 8.45 762.5271 \N \N PS(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 7.54 886.5569 \N \N PT(18:0/18:1(9Z)) 7.55 802.5613 \N \N Stearic acid 5.43 283.2652 5281 \N Sulfoglycolithocholic acid 0.30 512.2691 72222 \N Taurochenodeoxycholic acid 0.34 498.2902 387316 \N Taurocholic acid_1 0.31 514.2829 6675 \N Taurocholic acid_2 0.31 514.2869 6675 \N Taurolithocholic acid 0.46 482.2946 439763 \N TG(17:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))[iso3] 9.13 857.6699 \N \N