Metabolite_name RefMet_name 10_B1_D14_4NS+ 20_B2_D14_4NS+ 30_B3_D14_4NS+ 40_B4_D14_4NS+ 50_B5_D14_4NS+ 60_B6_D14_4NS+ 70_B7_D14_4NS+ 80_B8_D14_4NS+ 14_B2_D2_4NS+ 24_B3_D2_4NS+ 34_B4_D2_4NS+ 44_B5_D2_4NS+ 4_B1_D2_4NS+ 54_B6_D2_4NS+ 64_B7_D2_4NS+ 74_B8_D2_4NS+ 17_B2_D7_4NS+ 27_B3_D7_4NS+ 37_B4_D7_4NS+ 47_B5_D7_4NS+ 57_B6_D7_4NS+ 67_B7_D7_4NS+ 77_B8_D7_4NS+ 7_B1_D7_4NS+ 19_B2_D14_4S+ 29_B3_D14_4S+ 39_B4_D14_4S+ 49_B5_D14_4S+ 59_B6_D14_4S+ 69_B7_D14_4S+ 79_B8_D14_4S+ 9_B1_D14_4S+ 13_B2_D2_4S+ 23_B3_D2_4S+ 33_B4_D2_4S+ 3_B1_D2_4S+ 43_B5_D2_4S+ 53_B6_D2_4S+ 63_B7_D2_4S+ 73_B8_D2_4S+ 16_B2_D7_4S+ 26_B3_D7_4S+ 36_B4_D7_4S+ 46_B5_D7_4S+ 56_B6_D7_4S+ 66_B7_D7_4S+ 6_B1_D7_4S+ 76_B8_D7_4S+ 11_B2_D1_RT+ 1_B1_D1_RT+ 21_B3_D1_RT+ 31_B4_D1_RT+ 41_B5_D1_RT+ 51_B6_D1_RT+ 61_B7_D1_RT+ 71_B8_D1_RT+ 18_B2_D14_RT+ 28_B3_D14_RT+ 38_B4_D14_RT+ 48_B5_D14_RT+ 58_B6_D14_RT+ 68_B7_D14_RT+ 78_B8_D14_RT+ 8_B1_D14_RT+ 12_B2_D2_RT+ 22_B3_D2_RT+ 2_B1_D2_RT+ 32_B4_D2_RT+ 42_B5_D2_RT+ 52_B6_D2_RT+ 62_B7_D2_RT+ 72_B8_D2_RT+ 15_B2_D7_RT+ 25_B3_D7_RT+ 35_B4_D7_RT+ 45_B5_D7_RT+ 55_B6_D7_RT+ 5_B1_D7_RT+ 65_B7_D7_RT+ 75_B8_D7_RT+ Factors - Treatment:4NS | Day:14 Treatment:4NS | Day:14 Treatment:4NS | Day:14 Treatment:4NS | Day:14 Treatment:4NS | Day:14 Treatment:4NS | Day:14 Treatment:4NS | Day:14 Treatment:4NS | Day:14 Treatment:4NS | Day:2 Treatment:4NS | Day:2 Treatment:4NS | Day:2 Treatment:4NS | Day:2 Treatment:4NS | Day:2 Treatment:4NS | Day:2 Treatment:4NS | Day:2 Treatment:4NS | Day:2 Treatment:4NS | Day:7 Treatment:4NS | Day:7 Treatment:4NS | Day:7 Treatment:4NS | Day:7 Treatment:4NS | Day:7 Treatment:4NS | Day:7 Treatment:4NS | Day:7 Treatment:4NS | Day:7 Treatment:4S | Day:14 Treatment:4S | Day:14 Treatment:4S | Day:14 Treatment:4S | Day:14 Treatment:4S | Day:14 Treatment:4S | Day:14 Treatment:4S | Day:14 Treatment:4S | Day:14 Treatment:4S | Day:2 Treatment:4S | Day:2 Treatment:4S | Day:2 Treatment:4S | Day:2 Treatment:4S | Day:2 Treatment:4S | Day:2 Treatment:4S | Day:2 Treatment:4S | Day:2 Treatment:4S | Day:7 Treatment:4S | Day:7 Treatment:4S | Day:7 Treatment:4S | Day:7 Treatment:4S | Day:7 Treatment:4S | Day:7 Treatment:4S | Day:7 Treatment:4S | Day:7 Treatment:RT | Day:1 Treatment:RT | Day:1 Treatment:RT | Day:1 Treatment:RT | Day:1 Treatment:RT | Day:1 Treatment:RT | Day:1 Treatment:RT | Day:1 Treatment:RT | Day:1 Treatment:RT | Day:14 Treatment:RT | Day:14 Treatment:RT | Day:14 Treatment:RT | Day:14 Treatment:RT | Day:14 Treatment:RT | Day:14 Treatment:RT | Day:14 Treatment:RT | Day:14 Treatment:RT | Day:2 Treatment:RT | Day:2 Treatment:RT | Day:2 Treatment:RT | Day:2 Treatment:RT | Day:2 Treatment:RT | Day:2 Treatment:RT | Day:2 Treatment:RT | Day:2 Treatment:RT | Day:7 Treatment:RT | Day:7 Treatment:RT | Day:7 Treatment:RT | Day:7 Treatment:RT | Day:7 Treatment:RT | Day:7 Treatment:RT | Day:7 Treatment:RT | Day:7 2-Oxo-7-methylthioheptanoic acid 2-Oxo-7-methylthioheptanoic acid 3150000 3260000 3130000 4300000 3500000 3240000 2660000 3700000 3220000 2670000 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1680000 1360000 713000 2360000 792000 2980000 1440000 1440000 1230000 573000 1830000 722000 908000 3750000 1980000 939000 1610000 1390000 708000 2080000 888000 3410000 1420000 1530000 1370000 634000 988000 2000000 630000 5-6-Dihydrouracil Dihydrouracil 240000 354000 234000 162000 123000 181000 258000 238000 177000 153000 143000 116000 151000 149000 171000 122000 261000 187000 198000 99000 106000 161000 104000 201000 374000 268000 192000 121000 172000 304000 209000 200000 169000 127000 90900 146000 169000 178000 103000 187000 171000 101000 133000 212000 154000 178000 224000 237000 76000 133000 153000 145000 102000 45900 202000 107000 962000 782000 696000 712000 517000 439000 630000 526000 143000 264000 228000 254000 242000 226000 242000 97200 632000 230000 269000 465000 345000 681000 469000 482000 5-Hydroxyisourate 5-Hydroxyisouric acid 96100 86000 58700 172000 80900 92400 84900 80500 151000 129000 92700 86300 107000 170000 139000 89500 106000 183000 98300 66800 129000 152000 120000 153000 94400 79300 57100 130000 60900 105000 73000 81800 99400 138000 187000 142000 163000 145000 141000 143000 50300 102000 141000 137000 96600 96800 168000 109000 127000 153000 170000 129000 111000 119000 167000 142000 5880 18300 170000 155000 88300 116000 166000 154000 101000 94600 30700 39600 24700 52400 23200 75500 47800 38100 (5-L-Glutamyl)-L-glutamine gamma-Glutamylglutamine 255000 204000 165000 245000 223000 108000 277000 180000 278000 283000 374000 382000 345000 427000 190000 350000 327000 209000 167000 248000 228000 330000 290000 285000 138000 181000 253000 199000 173000 177000 142000 226000 450000 382000 378000 321000 353000 288000 278000 398000 222000 192000 288000 236000 260000 294000 329000 362000 868000 789000 623000 758000 629000 776000 610000 588000 15700 17300 17500 286000 267000 408000 224000 305000 270000 247000 231000 63600 32700 29700 73500 42100 74700 67600 58800 5-Oxoproline Pyroglutamic acid 13300000 11100000 13000000 16500000 12900000 13200000 14200000 11500000 13600000 15700000 16500000 17100000 16800000 19700000 14100000 16200000 17400000 14200000 12800000 13800000 15100000 13300000 13600000 16800000 13200000 13200000 13800000 15000000 11400000 12700000 11900000 14700000 14900000 14300000 17200000 17500000 16300000 13500000 14000000 15200000 14700000 14000000 14900000 14300000 12600000 12600000 17300000 13200000 19900000 19100000 16200000 17300000 16600000 17700000 16900000 16800000 26400000 17500000 28200000 23000000 17300000 3630000 21500000 15300000 15800000 15200000 16200000 15800000 18100000 15300000 15200000 15700000 20500000 7880000 7860000 8900000 8530000 10500000 9870000 8150000 acyl-C10:1 (O-Decenoyl-L-carnitine) CAR 10:1 1180000 1320000 1010000 1300000 1240000 914000 2060000 1420000 1390000 1070000 1610000 1590000 1230000 1140000 2140000 1710000 1250000 1110000 1250000 1530000 971000 1650000 1400000 1130000 1290000 1150000 1290000 1270000 826000 1910000 1440000 1290000 1180000 1150000 1500000 1330000 1900000 1110000 1920000 1480000 1310000 1180000 1350000 1470000 1140000 1850000 1280000 1790000 1150000 1180000 1160000 1240000 1430000 992000 2280000 1560000 1580000 1090000 1320000 2200000 1020000 1690000 1460000 1030000 1360000 1330000 1250000 1400000 1720000 1060000 2230000 1380000 1480000 1010000 1280000 1940000 1160000 1280000 1910000 1740000 acyl-C10 (O-Decanoyl-L-carnitine) CAR 10:0 2500000 2390000 2090000 1720000 2270000 1360000 3230000 2030000 2590000 1840000 2510000 3220000 2240000 1780000 3390000 2850000 2600000 2250000 1680000 2580000 1400000 3230000 2400000 2610000 2340000 1950000 2000000 1590000 1240000 2960000 2090000 2530000 2200000 1930000 2130000 2810000 2880000 1880000 2900000 2140000 2210000 1920000 1880000 2500000 1770000 3210000 3080000 2260000 2500000 2560000 2300000 2030000 2590000 1430000 3450000 1980000 1710000 921000 1420000 1840000 1240000 1180000 1980000 1420000 2110000 1900000 2940000 2490000 2970000 2070000 3580000 1240000 2330000 1290000 1580000 2960000 2280000 2630000 3100000 2610000 acyl-C12:1 (O-dodecenoyl-carnitine) CAR 12:1 107000 94300 68400 87300 117000 92700 215000 86200 111000 76200 159000 168000 87200 126000 202000 128000 163000 79800 85800 96500 108000 141000 113000 82700 125000 125000 124000 134000 90600 158000 157000 103000 87100 86000 133000 86700 121000 77700 174000 101000 114000 87800 114000 98900 80700 170000 181000 142000 89500 104000 98700 88700 121000 109000 198000 81900 141000 64700 117000 92200 61800 163000 108000 82600 101000 81500 125000 143000 121000 79300 187000 111000 142000 73500 117000 105000 90000 164000 172000 118000 acyl-C12 (O-dodecanoyl-carnitine) CAR 12:0 284000 299000 275000 216000 391000 261000 452000 327000 327000 254000 268000 329000 305000 267000 487000 400000 359000 298000 343000 351000 311000 427000 354000 288000 266000 269000 295000 305000 209000 545000 338000 281000 331000 252000 264000 317000 329000 281000 541000 366000 353000 336000 264000 347000 279000 608000 324000 322000 270000 187000 279000 206000 293000 243000 487000 256000 394000 268000 350000 393000 304000 541000 319000 304000 384000 261000 319000 288000 370000 223000 602000 271000 331000 186000 207000 375000 367000 383000 575000 372000 acyl-C14:1 (Tetradecenoyl Carnitine) CAR 14:1 204000 200000 260000 285000 253000 188000 459000 346000 246000 252000 331000 295000 274000 260000 408000 338000 246000 194000 258000 299000 203000 403000 279000 323000 258000 240000 243000 250000 162000 549000 267000 216000 177000 244000 310000 320000 328000 323000 294000 282000 195000 227000 225000 240000 253000 495000 315000 284000 213000 237000 259000 331000 249000 235000 487000 256000 225000 206000 295000 314000 285000 269000 275000 153000 229000 249000 245000 261000 308000 288000 445000 188000 234000 157000 226000 295000 249000 338000 373000 252000 acyl-C14 (O-tetradecanoyl-L-carnitine) CAR 14:0 256000 255000 265000 239000 176000 209000 360000 265000 274000 266000 213000 222000 228000 208000 279000 330000 311000 257000 225000 306000 255000 313000 237000 243000 236000 236000 223000 117000 234000 343000 267000 221000 229000 220000 172000 237000 295000 252000 208000 284000 254000 225000 319000 240000 288000 322000 254000 397000 253000 170000 181000 151000 233000 194000 281000 240000 238000 178000 195000 220000 161000 144000 217000 171000 277000 229000 196000 201000 304000 194000 253000 107000 281000 133000 57900 294000 183000 185000 237000 225000 acyl-C16 1450000 1920000 2040000 1090000 455000 347000 1980000 1620000 1620000 1590000 1830000 1460000 818000 1470000 1550000 1280000 2010000 1570000 1840000 492000 368000 1300000 574000 1730000 1880000 1840000 1830000 445000 424000 1730000 1600000 1930000 1530000 754000 2170000 1340000 1770000 1490000 416000 1570000 689000 289000 372000 413000 1430000 795000 2050000 1560000 1180000 1650000 2140000 1780000 736000 402000 1290000 1270000 1420000 1070000 1540000 993000 1360000 393000 1580000 433000 610000 1890000 2030000 1790000 1410000 1850000 595000 528000 1490000 474000 554000 1140000 1110000 1540000 1740000 1260000 acyl-C16:1 (Hexadecenoyl-carnitine) CAR 16:1 143000 166000 163000 159000 126000 89900 212000 194000 172000 173000 142000 185000 205000 134000 201000 261000 172000 181000 153000 291000 51800 172000 216000 164000 173000 178000 153000 54100 44100 206000 180000 144000 149000 162000 137000 217000 231000 123000 81100 231000 262000 63100 82100 113000 138000 218000 192000 224000 143000 152000 168000 163000 230000 38300 172000 220000 109000 92700 123000 135000 79800 58900 190000 61800 245000 168000 186000 114000 190000 145000 249000 44200 134000 35700 22300 191000 135000 138000 178000 145000 acyl-C18:1 (O-octadecenoyl-L-carnitine) CAR 18:1 1270000 1160000 880000 756000 650000 532000 1310000 781000 1210000 492000 1730000 1380000 568000 1660000 880000 579000 1530000 951000 785000 496000 648000 343000 675000 732000 1640000 1550000 1160000 689000 557000 520000 1690000 1080000 918000 556000 1580000 614000 701000 762000 460000 891000 642000 605000 565000 424000 914000 664000 1530000 1140000 610000 1370000 1680000 480000 494000 562000 829000 673000 1780000 696000 1550000 590000 650000 561000 942000 832000 771000 1140000 1030000 1710000 558000 825000 616000 630000 1630000 446000 544000 472000 693000 1830000 1250000 1190000 acyl-C18:2 (Linoleoyl-CoA) Linoleoyl-CoA 1010000 1160000 1420000 635000 734000 927000 1100000 1190000 1390000 588000 842000 1190000 678000 1040000 1550000 1070000 743000 1270000 626000 604000 1230000 573000 557000 687000 804000 1120000 1250000 1010000 1120000 1140000 1100000 846000 1020000 796000 1150000 618000 978000 1310000 926000 949000 451000 1170000 871000 484000 1390000 839000 577000 1250000 752000 870000 1330000 942000 678000 948000 1220000 822000 641000 506000 604000 872000 463000 916000 809000 1010000 373000 1290000 908000 802000 1000000 1150000 476000 1100000 909000 777000 1040000 601000 736000 831000 928000 1100000 acyl-C18 (Octadecanoyl-L-carnitine) CAR 18:0 146000 239000 162000 139000 107000 210000 328000 178000 134000 288000 245000 156000 168000 185000 193000 143000 289000 172000 218000 235000 280000 241000 112000 235000 303000 246000 208000 199000 154000 209000 196000 161000 217000 97000 213000 195000 232000 217000 245000 190000 235000 192000 147000 216000 220000 79700 285000 286000 206000 216000 276000 260000 123000 180000 176000 189000 213000 155000 197000 104000 174000 182000 175000 108000 224000 303000 243000 213000 184000 260000 177000 224000 254000 218000 264000 259000 158000 182000 187000 146000 acyl-C2 50800000 52800000 47900000 47700000 61400000 54300000 104000000 67500000 51500000 54700000 50500000 54200000 55400000 56800000 105000000 75600000 51600000 58700000 43900000 43900000 45600000 114000000 71600000 34300000 52700000 58200000 55100000 45000000 56500000 106000000 69600000 49900000 51300000 53400000 47900000 48900000 48700000 44600000 112000000 55200000 41900000 44800000 52500000 50900000 53000000 101000000 52800000 66700000 49900000 50300000 49700000 57500000 55100000 58100000 108000000 71400000 46200000 44200000 50900000 51400000 45200000 106000000 66500000 46700000 46900000 58200000 45700000 46400000 55000000 45400000 86700000 72500000 48700000 58900000 53000000 58600000 42700000 47200000 96400000 65700000 acyl-C20:4 CAR 20:4 79700 111000 106000 111000 29600 26800 110000 115000 119000 163000 97700 112000 101000 92000 104000 214000 104000 130000 96900 123000 22300 89500 95300 79200 100000 138000 102000 17400 15600 107000 118000 78900 95200 152000 87300 111000 122000 99700 26600 122000 159000 55400 50700 42400 114000 117000 99700 156000 117000 81800 125000 112000 134000 25000 92500 141000 93000 113000 88400 119000 81900 18800 176000 50900 109000 140000 87100 99400 84400 106000 86900 15200 98600 29700 16300 134000 120000 78600 101000 119000 acyl-C3 2230000 2290000 2540000 2600000 2250000 2340000 2480000 3430000 2880000 3000000 2120000 2130000 2700000 2370000 2210000 2980000 2940000 2590000 2440000 2260000 2660000 2470000 3620000 2470000 2980000 2250000 2670000 2380000 2030000 1750000 3240000 1950000 3100000 2700000 2550000 1830000 2320000 2340000 2630000 2990000 2920000 2770000 2390000 2410000 1860000 2190000 2880000 3440000 2780000 2390000 2300000 2440000 2370000 1980000 2280000 3840000 2790000 2650000 2810000 2450000 2220000 2030000 3420000 2920000 3050000 2880000 2750000 2490000 2630000 2430000 2360000 4200000 3030000 2830000 2670000 2610000 2590000 2760000 2660000 2680000 acyl-C4 2390000 2540000 2670000 2740000 2820000 2490000 2240000 2840000 2700000 2640000 2480000 2860000 2440000 1780000 2490000 3370000 2540000 2800000 2500000 3680000 2610000 2450000 3610000 2330000 2540000 2070000 2860000 2840000 2210000 2380000 2870000 2080000 2460000 2920000 2540000 2940000 3060000 2040000 2350000 3230000 3090000 2960000 3120000 3170000 2220000 2880000 2280000 2940000 2310000 1930000 2490000 2300000 2810000 2020000 2390000 2980000 2350000 2720000 2390000 2850000 2430000 2410000 3480000 1820000 3190000 2420000 1840000 2430000 2650000 2030000 2960000 3190000 2450000 2770000 2700000 2720000 2590000 2370000 2250000 2690000 acyl-C4-OH (Hydroxybutyrylcarnitine) CAR 4:0;OH 921000 822000 988000 1150000 797000 1180000 994000 1260000 1000000 1050000 1030000 653000 822000 1010000 1110000 1180000 800000 882000 946000 834000 1140000 1030000 1250000 868000 877000 896000 954000 840000 1160000 1160000 1010000 826000 835000 999000 1070000 982000 813000 1220000 1190000 998000 1010000 1120000 1030000 852000 1180000 1250000 815000 1190000 878000 862000 966000 1130000 709000 1270000 1060000 1120000 914000 1070000 1200000 881000 1370000 1190000 1370000 1050000 863000 877000 763000 999000 812000 1230000 1110000 1200000 854000 980000 1120000 834000 1200000 917000 1140000 1140000 acyl-C5 CAR 5:0 2030000 1720000 2210000 1990000 1840000 2260000 2010000 2700000 1770000 1590000 2160000 1880000 1890000 2200000 2000000 2640000 1820000 2210000 1910000 2190000 2160000 1800000 2830000 1770000 2030000 1990000 2110000 2040000 2170000 2070000 2650000 1730000 1600000 2060000 2160000 2140000 1810000 2520000 1800000 2530000 1910000 1990000 2260000 1820000 2030000 2130000 1960000 2730000 1750000 1460000 2050000 2330000 1850000 2210000 1980000 2470000 2070000 2420000 2640000 2250000 2540000 1910000 3480000 2010000 1930000 1910000 1730000 2340000 2010000 2200000 1860000 2370000 2020000 1730000 2220000 2140000 2580000 2210000 2040000 2500000 acyl-C5:1 (Tiglylcarnitine) CAR 5:1 262000 199000 276000 281000 308000 308000 318000 477000 221000 277000 303000 263000 246000 295000 358000 443000 208000 232000 220000 328000 331000 331000 472000 259000 252000 267000 297000 310000 309000 414000 490000 219000 185000 301000 312000 256000 273000 331000 381000 458000 246000 293000 344000 326000 267000 406000 244000 440000 223000 257000 238000 288000 276000 313000 379000 503000 254000 324000 330000 305000 329000 424000 621000 298000 221000 235000 211000 262000 329000 344000 377000 523000 260000 290000 342000 329000 306000 284000 401000 479000 acyl-C5-OH 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acyl-C6 (hexanoyl-l-carnitine) CAR 6:0 444000 365000 445000 332000 487000 297000 548000 383000 373000 545000 402000 491000 451000 335000 590000 533000 429000 444000 326000 511000 445000 572000 460000 474000 393000 449000 359000 471000 332000 575000 437000 387000 345000 483000 348000 486000 477000 363000 691000 421000 471000 514000 426000 534000 385000 564000 490000 455000 348000 368000 372000 311000 459000 316000 558000 360000 321000 402000 296000 374000 382000 584000 444000 422000 446000 392000 446000 377000 509000 329000 668000 464000 382000 481000 351000 481000 399000 396000 561000 399000 acyl-C8:1 (octenoyl-l-carnitine) CAR 8:1 4860000 6590000 5600000 4870000 8040000 6630000 10500000 8040000 6310000 7110000 5190000 7050000 5590000 5530000 12400000 8190000 5220000 5600000 6370000 7460000 6630000 9690000 9520000 6150000 5260000 4920000 4410000 7950000 6540000 9670000 6160000 4860000 5020000 6410000 4320000 5480000 7110000 5850000 10300000 7560000 6720000 6480000 4710000 7250000 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