Metabolite_name RefMet_name 639.1 639.2 639.4 399.5 526.1 526.3 183.1 183.4 514.1 Factors - Diet:CH Diet:CH Diet:CH Diet:WD Diet:WD Diet:WD Diet:WDPQQ Diet:WDPQQ Diet:WDPQQ 11(R)-HPETE/Leukotriene B4 (isobars) 11-HpETE 6440 113000 5230 4420 5860 3000 4260 2760 2930 1-(1Z-hexadecenyl)-sn-glycero-3-phosphoethanolamine LPE P-16:0 or LPE O-16:1 11100 42800 51300 91600 74800 12800 62800 9040 14800 13(S)-HODE 13S-HODE 111000 113000 130000 59600 40500 36000 36100 57000 40600 1-(5Z_8Z_11Z_14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine 514000 1010000 659000 1180000 1140000 832000 744000 1160000 1720000 1-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine LPE 18:1/0:0 97700 113000 89100 266000 346000 307000 308000 432000 427000 1-hexadecanoyl-sn-glycero-3-phosphoethanolamine LPE 16:0 272000 359000 266000 559000 597000 751000 653000 1070000 1020000 1-octadecanoyl-sn-glycero-3-phosphoethanolamine LPE 18:0/0:0 830000 1170000 500000 889000 1470000 2420000 1240000 1630000 2460000 2-3-Dinor-8-iso prostaglandin F2alpha 80200 48200 36600 36500 55900 60000 53900 36500 37900 2-(5Z_8Z_11Z_14Z-eicosatetraenoyl)-sn-glycero-3-phosphocholine 101000 146000 130000 1010000 599000 928000 872000 601000 636000 2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine LPC 18:1 5430000 2410000 11700000 8930000 2250000 735000 4030000 14300000 1100000 3alpha-12alpha-Dihydroxy-5beta-cholanate Deoxycholic acid 48800 105000 43300 20800 14900 11700 13700 27500 13000 3-hexadecanoyl-sn-glycero-1-phosphocholine 36700000 40300000 28900000 39800000 40600000 52300000 35100000 41300000 48100000 3-pentadecanoyl-sn-glycero-1-phosphocholine 185000 224000 196000 748000 492000 478000 541000 597000 587000 (5Z-8Z-11Z-14Z-17Z)-Icosapentaenoic acid EPA 1830000 2750000 3610000 2690000 1670000 813000 3690000 5010000 1730000 (7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaenoic acid DPA 844000 842000 1430000 3320000 1920000 709000 1260000 1870000 2520000 (8Z-11Z-14Z)-Icosatrienoic acid Dihomo-gamma-linolenic acid 1180000 1290000 1780000 3290000 1880000 8930 2940000 3640000 3240000 acetyl-carnitine CAR 2:0 156000000 136000000 184000000 58100000 69200000 88300000 50200000 24600000 51400000 Acetylcholine Acetylcholine 19300000 23900000 24700000 5390000 8150000 8860000 6400000 4510000 6480000 acyl-C18:2 CAR 18:2 6270 6810 10200 10300 2060 11900 618000 5240 3390 acyl-C4-OH CAR 4:0;OH 9450000 8310000 10600000 5470000 5040000 5800000 3970000 2900000 4580000 acyl-C5 CAR 5:0 11900000 16600000 14300000 825000 1640000 997000 74900 805000 451000 acyl-C5:1 CAR 5:1 115000 101000 96300 46600 36000 31400 34100 35500 59200 acyl-C5-OH CAR 5:0;OH 2810000 3220000 2980000 368000 850000 958000 450000 392000 613000 alpha-tocopheronolactone 217000 226000 237000 222000 179000 172000 204000 241000 145000 butanoyl-l-carnitine CAR 4:0 7130000 23200000 9310000 944000 3050000 4410000 1220000 919000 613000 Cholesterol sulfate Cholesterol sulfate 3520000 3950000 4230000 5690000 5150000 3250000 3780000 6360000 2680000 Cortisol Cortisol 187000 217000 221000 442000 253000 898000 45900 499000 584000 Cortisone Cortisone 33500 84000 31600 2160 782 1390 5150 Decanoic acid (caprate) Capric acid 7340000 8920000 8870000 6540000 8690000 7780000 6060000 6380000 7590000 dihydroxy-hexadecanoic acid Dihydroxyhexadecanoic acid 74000 61700 89200 188000 76000 33800 133000 195000 60600 dihydroxy-octadecanoic acid 355000 274000 394000 462000 259000 260000 347000 539000 374000 Docosahexaenoic acid Docosahexaenoic acid 7380000 9100000 11700000 22300000 15500000 7190000 25700000 30600000 17600000 Dodecanedioic acid Dodecanedioic acid 138000 144000 190000 155000 107000 87400 91100 94400 70400 Dodecanoic acid Lauric acid 3260000 4360000 3860000 4890000 4730000 3700000 4400000 5160000 4780000 Eicosapentaenoic acid Eicosapentaenoic acid 1830000 2750000 3610000 2690000 1670000 813000 3690000 5010000 1730000 epoxy-octadecanoic acid 27200 37600 27900 12800 26800 25500 18900 26800 31700 Ethanolamine phosphate Phosphoethanolamine 2360000 1810000 2050000 7140000 4480000 3410000 3390000 4320000 3620000 Glycerol 3-phosphate sn-Glycero-3-phosphate 30000000 40500000 34000000 45500000 31100000 32300000 42200000 28100000 11900000 Heptanoic acid Heptylic acid 352000 419000 358000 243000 334000 328000 214000 284000 323000 Hexadecanoic acid Palmitic acid 93400000 73600000 95900000 116000000 74900000 75800000 90200000 132000000 112000000 Hexadecenoic acid Hexadecenoic acid 3120000 2370000 3070000 61000000 17700000 8710000 36500000 49200000 41800000 Hexanoic acid (caproate) Caproic acid 153000 240000 162000 114000 150000 166000 139000 137000 166000 hexanoyl-L-carnitine CAR 6:0 3610000 16400000 5540000 753000 1550000 1460000 349000 469000 268000 hydroxy-dodecanedioic acid Hydroxydodecanedioic acid 14500 15900 24700 16800 9420 7080 11800 18900 9600 Linoleate Linoleic acid 34500000 48500000 69400000 20400000 9590000 3610000 11300000 18600000 18500000 L-octanoylcarnitine CAR 8:0 682000 4290000 1230000 306000 617000 585000 230000 166000 189000 Mesterolone Mesterolone 16300000 18700000 27500000 20300000 12400000 4160000 7590000 14600000 14700000 N-(11Z_14Z-eicosadienoyl)-ethanolamine Eicosadienoyl-EA 46000 111000 58800 38200 311000 45500 77200 67800 34100 N-(11Z-eicosaenoyl)-ethanolamine 11Z-Eicosaenoyl-EA 197000 271000 234000 130000 231000 154000 111000 188000 136000 N-(5Z_8Z_11Z_14Z-docosatetraenoyl)-ethanolamine 120000 192000 130000 45500 147000 95700 62400 84700 94000 N-hexadecanoyl-ethanolamine Palmitoyl-EA 15500 7590 2000000 2640 4990 4910 238000 2120000 3710 N-(Hexadecanoyl)-ethanolamine Palmitoyl-EA 15500 7590 2000000 2640 4990 4910 238000 2120000 3710 Nonanoic acid (pelargonate) Pelargonic acid 13600000 17900000 17800000 11100000 13500000 15200000 9380000 11600000 13400000 Octadecanoic acid Stearic acid 340000 11100000 13100000 11200000 12300000 332000 11500000 469000 Octadecatrienoic acid Octadecatrienoic acid 4140000 7520000 10100000 1970000 559000 288000 1910000 2020000 1260000 Octadecenoic acid Octadecenoic acid 28800000 21100000 29300000 124000000 62800000 41900000 117000000 149000000 120000000 Octanoic acid (caprylate) Caprylic acid 1510000 2020000 1850000 1440000 1810000 1620000 1350000 1370000 1660000 octenoyl-l-carnitine CAR 8:1 334000 427000 537000 19900 48900 24800 8670 13100 26900 O-Decanoyl-L-carnitine CAR 10:0 158000 644000 144000 3030 366000 443000 49000 2820 118000 O-Decenoyl-L-carnitine CAR 10:1 254000 277000 413000 92400 349000 525000 179000 75400 116000 O-dodecenoyl-carnitine CAR 12:1 10500 9110 887 65000 68300 815 771 31700 propionyl-carnitine CAR 3:0 31100000 31800000 29400000 1940000 9290000 6650000 1200000 1790000 2890000 Prostaglandin D2/Thromboxane A2 (isobars) 1230000 758000 1000000 965000 792000 670000 875000 1390000 969000 Prostaglandin D3 (isobars) PGD3 26600 23300 27700 330000 184000 61400 287000 336000 250000 Prostaglandin G2 PGG2 186000 646000 273000 6770 9410 7580 9390 7840 13500 sn-glycero-3-Phosphoethanolamine sn-Glycero-3-phosphoethanolamine 3290000 3580000 4590000 43400000 17300000 16800000 41200000 34500000 33500000 Sphingosine Sphingosine 4090 8090 96700 1320000 10100 17400 19700 16900 8440 Sulfoglycolithocholate Sulfoglycolithocholic acid 22800 13200 7730 113000 64400 110000 177000 109000 56700 Taurochenodeoxycholate Taurochenodeoxycholic acid 9430000 7440000 6570000 5230000 4450000 2530000 2150000 2510000 1190000 Taurocholate Taurocholic acid 4200000 4130000 2790000 1600000 2330000 1240000 993000 1980000 2040000 Tetradecanoic acid Myristic acid 8370000 8840000 8310000 20100000 12600000 7560000 15800000 21800000 20700000 Tetradecenoic acid Tetradecenoic acid 101000 69100 110000 3470000 1060000 688000 2160000 3210000 3360000 trihydroxy-octadecenoic acid Trihydroxyoctadecenoic acid 812000 745000 643000 522000 847000 878000 802000 784000 905000