Metabolite_name RefMet_name S00020314 S00020316 S00020318 S00020326 S00020329 S00020315 S00020317 S00020319 S00020330 S00020310 S00020312 S00020320 S00020322 S00020324 S00020327 S00020311 S00020313 S00020321 S00020323 S00020325 S00020328 Factors - GROUP:Standard | VISIT:visit 1 GROUP:Standard | VISIT:visit 1 GROUP:Standard | VISIT:visit 1 GROUP:Standard | VISIT:visit 1 GROUP:Standard | VISIT:visit 1 GROUP:Standard | VISIT:visit 2 GROUP:Standard | VISIT:visit 2 GROUP:Standard | VISIT:visit 2 GROUP:Standard | VISIT:visit 2 GROUP:VLED | VISIT:visit 1 GROUP:VLED | VISIT:visit 1 GROUP:VLED | VISIT:visit 1 GROUP:VLED | VISIT:visit 1 GROUP:VLED | VISIT:visit 1 GROUP:VLED | VISIT:visit 1 GROUP:VLED | VISIT:visit 2 GROUP:VLED | VISIT:visit 2 GROUP:VLED | VISIT:visit 2 GROUP:VLED | VISIT:visit 2 GROUP:VLED | VISIT:visit 2 GROUP:VLED | VISIT:visit 2 16:0 LYSO PC (M+H)+ LPC 16:0 2460154 932625 923507 1490330 1197511 1220494 1169564 1081994 879635 760019 1462254 2034722 1663134 1335262 1428104 1170884 1525481 2139692 3676111 2207315 1404268 18:0 LYSO-PE (2M+H)+ LPE 18:0 6836 1817 7167 4566 20172 13599 13354 5895 29968 28433 1-METHYLXANTHINE (M+H)+ 1-Methylxanthine 2398900 2815022 2269068 2259278 2628729 2221765 3241528 2282694 2305479 2484163 2129953 2388679 2672889 2254952 2059115 2038916 2165516 2605286 2528340 2602321 2176187 1-METHYLXANTHINE (M+NA)+ 1-Methylxanthine 43757 55146 41217 51989 39628 64949 43603 48583 50101 48210 50454 52327 43538 39212 43165 45662 50159 47256 50781 42971 24:0 SM (D18:1/24:0) (M+H)+ SM 18:1;O2/24:0 16012 15220 30731 15944 5097 50974 21488 10909 52538 163844 17183 24:0 SM (D18:1/24:0) (M+NA)+ SM 18:1;O2/24:0 34212 36946 64039 34822 38332 27404 21329 5720 123710 21741 37901 81797 72540 21972 173608 17238 40001 2-AMINOBUTANOIC ACID (M+H)+ 2-Aminobutyric acid 4850 11805 7340 5557 10845 7101 3280 7069 4223 6047 6309 3005 4592 5710 4457 6649 9715 8143 6276 7902 8355 2^-DEOXYGUANOSINE (M+H)+ Deoxyguanosine 18156 22630 46387 46973 27635 51396 24306 34041 26905 19202 46142 23063 34044 27037 14909 16890 12761 24575 31034 23277 22412 3-AMINOISOBUTYRIC ACID (M+H)+[-H2O] 3-Aminoisobutanoic acid 18486 3745 10842 11943 4864 4618 2928 16700 31230 105200 12076 40971 12462 8604 61892 58063 7851 3-METHOXYTYROSINE (M+H)+ 3-Methoxytyrosine 48227 28518 36055 20523 43806 15524 44687 45908 50081 36904 43089 47532 39113 44314 41732 47178 28644 39271 36152 4-PYRIDOXIC ACID (M+NA)+ 4-Pyridoxic acid 70733 19102 28862 18901 9215 59799 38635 12303 25746 64044 66947 57904 35120 68497 72978 28709 57600 5-AMINOPENTANOIC ACID (M+H)+ 5-Aminopentanoic acid 2141686 2162252 3089957 1989010 2097611 1810452 2648580 2250548 1773929 2246545 378505 1884235 2059398 1632161 1269691 1610726 1432755 1721774 1996757 1859981 1845635 ACETAMINOPHEN (TN TYLENOL) (M+H)+ Acetaminophen 65894 20860 844046 10131 522594 ACETAMINOPHEN (TN TYLENOL) (M+NA)+ Acetaminophen 385385 257579 ALPHA-LINOLENIC ACID (M+NA)+ alpha-Linolenic acid 4909 20450 22679 21816 30919 10875 17640 25561 19726 38332 31024 15866 20780 22989 13948 26048 32831 15498 5735 30415 19235 ALPHA-TOCOPHEROL (M+H)+ alpha-Tocopherol 136401 112405 93121 106737 96309 118888 92113 97867 113492 97714 100561 128852 62037 103820 103828 145684 144792 142567 35175 137141 130047 BILIVERDIN (M+H)+ Biliverdin 215546 182477 95600 102191 198166 143995 209740 113247 226262 260068 221228 326973 174827 124981 151617 200220 180309 651368 658165 122862 189413 BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+ bis(2-Ethylhexyl)phthalic acid 24303 45160 32077 37354 33215 54049 28253 80164 58732 34946 38648 70522 36887 43678 16444 56219 59015 47192 160523 56209 49043 BUTYRYLCARNITINE (*) (M+H)+ CAR 4:0 414767 344164 623620 1784360 520113 799037 513037 907897 737561 443733 1000569 847910 344860 1236639 170291 346661 711293 397317 412410 789501 1769983 CARNITINE (M+H)+ Carnitine 5349624 36100000 44100000 6850000 5840000 2986056 121000000 89900000 5802058 6510152 5356324 1255568 28000000 13400000 58200000 9532235 5510209 7821577 5227604 20100000 CHOLIC ACID (2M+NA)+ Cholic acid 3012 27023 10716 556926 CHOLINE M+ Choline 2505028 2490875 2730367 2761763 2322582 2568946 2470170 2450219 2090369 3118938 2417180 2396532 2689783 2995997 2444233 2643829 2598796 2531840 2807308 3084389 2490726 CITRIC ACID (M+NA)+ Citric acid 141322 158780 134066 179907 153317 156907 186817 274074 124745 194059 176210 241858 189974 132625 252472 260687 324899 223043 188358 167001 370390 DECANOYLCARNITINE (*) (M+H)+ CAR 10:0 25809 23864 18384 10891 19624 40171 30684 41645 22466 25802 29993 33419 37986 49191 45038 34305 47258 DECENOYLCARNITINE (*) (M+H)+ CAR 10:1 52133 44246 36057 41559 5228 18777 39976 41232 11263 55488 64650 91500 22373 15008 24377 69822 14297 46748 50690 DEHYDROEPIANDROSTERONE (M+NA)+ Dehydroepiandrosterone 5601 8964 7019 6503 5511 10950 13067 2519 3413 6236 9117 5344 6271 1769 8971 6359 9126 2840 5023 DEHYDROEPIANDROSTERONE SULFATE M+[-HSO4] Dehydroepiandrosterone sulfate 158235 122962 151990 179188 191662 160873 144511 147393 149129 154423 154417 161942 163867 192821 167487 158300 DESMOSTEROL (M+H)+[-H2O] Desmosterol 8126 11826 8122 7439 5419 11394 9093 1560 5301 22625 7155 6666 6214 9132 28076 5740 9320 DIPALMITOYL-GLYCEROL (M+H)+[-H2O] DG 16:0_16:0 16231 2068 14429 11804 2303 1967 2601 3637 3267 10919 3515 6500 5957 2926 3789 3261 3444 5011 4386 DODECENOYLCARNITINE (*) II M+ CAR 12:1 270423 84614 83769 64675 79723 58555 99001 116698 20637 110742 73034 63007 55833 49115 23813 71678 43993 123785 76278 92574 73352 EDTA (M+NA)+ Edetic acid 1602697 838498 1400943 202358 1068650 1333080 1103087 1129123 1271036 1236501 1355179 1185380 1259002 1182073 1563284 1335061 1349878 1226487 2111685 1251497 2090082 EICOSANOYLCARNITINE (*) (M+H)+ CAR 20:0 4144 3456 1666 2066 2580 3100 1103 2471 2401 3989 2874 8659 1395 EPINEPHRINE (M+H)+ Epinephrine 141752 192747 132931 196446 205338 181763 226446 162820 228325 167846 188847 247396 164578 157461 191750 203495 185779 182225 176531 161168 145241 EPINEPHRINE (M+H)+[-H2O] Epinephrine 13259 49352 15473 15946 15553 109347 18004 13938 40437 39195 13165 17140 12915 11570 8861 9943 31373 8526 GLUCOSE (2M+NA)+ Glucose 4103 4859 4224 3951 6686 3687 5804 3828 6485 4671 5868 3971 5370 4269 5907 3574 4967 3897 3667 2904 5414 GLUCOSE (M+NA)+ Glucose 478619 637141 402724 1294607 748410 145057 537145 422270 284019 1329678 485979 1070508 1041924 627001 164820 668159 212747 1058225 285968 187682 180056 GLUTAMINE (M+NA)+ Glutamine 26717 25923 28689 26509 47359 24406 36020 27643 27921 26447 27663 22890 23496 28324 22535 23317 26629 30989 GLYCEROL MYRISTATE (M+H)+[-H2O] MG 14:0 2198 3706 3624 5019 2266 2023 1941 4043 3595 3786 3225 3488 3545 889 5285 1091 GLYCOCHENODEOXYCHOLIC ACID (M+H)+[-H2O] Glycochenodeoxycholic acid 696689 202810 241372 205921 747226 89303 534368 41099 186999 150788 143214 218085 583900 667138 74158 498136 111960 87937 603323 265451 283621 GLYCOCHENODEOXYCHOLIC ACID (M+NA)+ Glycochenodeoxycholic acid 1136465 234337 350679 289061 1258591 117225 814024 38254 262140 198898 176800 276593 892389 1010061 90975 752294 149420 97470 997736 389660 409108 GLYCOCHOLIC ACID (M+H)+ Glycocholic acid 73020 39721 20695 16710 59167 11760 43803 6344 17405 12706 19743 18829 32117 150910 12041 38686 15772 6803 29571 106876 16817 GLYCOCHOLIC ACID (M+H)+[-H2O] Glycocholic acid 176589 92666 48472 39641 143306 25746 107284 13400 43085 28291 47125 40093 73210 353214 27539 90234 37365 13873 71079 256837 40929 GLYCOCHOLIC ACID (M+NA)+ Glycocholic acid 305247 141393 70905 54714 232799 36271 157843 16782 61813 39035 66241 73705 116091 701632 37759 148760 54242 27891 111262 479846 56312 GUANOSINE (M+H)+ Guanosine 1888 5587 8189 12166 7358 2107 2542 1913 2188 6168 5188 1237 10134 7123 9764 HEXANOYLCARNITINE (*) M+ CAR 6:0 761841 241430 292520 364705 310086 316795 313264 430766 89773 335948 435784 391212 253073 214501 151242 255216 234208 554093 369761 566855 155270 IBUPROFEN CARBOXYLIC ACID (M+H)+[-H2O] 5047 17892 10583 2189894 1053 681802 1995683 2961 266144 INDOLE-3-ACETALDEHYDE (M+H)+ Indoleacetaldehyde 64820 632347 527244 666195 94472 305154 527797 694185 179437 545002 386305 96973 25058 266558 878604 244323 191182 317400 ISO-BUTYRYLCARNITINE (*) (M+H)+ CAR 3:0;2Me 700865 506499 691555 1212906 938165 736980 663033 909913 579222 846899 1492343 557827 525826 1092688 152975 722036 999093 1193254 203582 1546772 915981 ISOLEUCINE (M+H)+ Isoleucine 19000000 18600000 31100000 38200000 25900000 19600000 17700000 18700000 20600000 28300000 50800000 54000000 45400000 35800000 17500000 28200000 24200000 50200000 51200000 27900000 17000000 ISOVALERYLCARNITINE (*) (M+H)+ CAR 4:0;3Me 532819 663425 638347 468909 960741 480229 683666 1761549 887701 908500 881779 816429 532259 959486 410188 710366 1027200 1127103 634271 865265 413999 KYNURENIC ACID (M+H)+ Kynurenic acid 48253 39076 50932 32902 30649 29103 42293 59542 46498 42856 35516 53810 34917 41034 54014 132100 LEUCINE (M+H)+ Leucine 28000000 21700000 6590000 5990000 26600000 6710000 6573384 18500000 12100000 16200000 15900000 16000000 18500000 25600000 17900000 17800000 13300000 17700000 14400000 9298636 14100000 LYSINE (M+H)+ Lysine 17651 18823 22513 19443 19996 23010 28586 28537 20557 21720 11962 26692 15860 23239 24304 23650 17947 16719 20023 22051 18289 LYSINE (M+NA)+ Lysine 6047 6882 6263 7964 6908 8034 6734 9678 6348 7686 4798 9198 5046 7625 7840 6429 6701 7987 6333 7076 5544 METHYL JASMONATE (M+NA)+ Methyl jasmonate 21635 6820 2330 5248 18032 18084 4739 1625 12798 1741 6157 2339 4914 7048 5941 5639 N-ACETYL-D-GLUCOSAMINE (M+NA)+ N-Acetyl-D-glucosamine 2766 2301 4571 3324 2468 1092 2173 3016 2922 2257 2707 N-ACETYL-DL-SERINE (M+H)+[-H2O] N-Acetylserine 469848 186170 212978 84877 242432 225939 281464 217635 100962 207879 201551 249573 298532 106573 246150 191403 170608 188904 214110 189797 159911 N-ACETYL-D-TRYPTOPHAN (M+NA)+ N-Acetyl-D-tryptophan 4717 2268 3313 1956 1363 4214 2839 4085 3456 1019 5456 3175 2044 2380 2580 4476 5906 NAD (M+H)+ NAD+ 1764 2294 3308 3437 880 2812 2279 974 3154 1752 1164 1533 2400 2955 2683 NAPROXEN (M+H)+ Naproxen 218258 370202 1449 848715 16757 1731 6613 1828 4012 2950 7434 3581 NAPROXEN (M+NA)+ Naproxen 75469 122727 287247 4328 N-METHYL-GLUTAMIC ACID (M+NA)+ N-Methyl-glutamic acid 122017 33866 20578 48244 83757 48617 63948 126819 54639 81672 33642 44477 OCTENOYLCARNITINE (*) M+ CAR 8:1 2688733 248379 819823 586416 588269 568841 602844 402448 105119 1004431 1041764 381737 860164 1330129 1006513 312989 280636 1018893 1230462 2728213 879308 OLEAMIDE (M+H)+ Oleamide 91434 159544 87931 143088 272467 73747 43915 70676 82104 222829 OLEOYL-GLYCEROL (M+H)+ MG 18:1 6881 6832 4495 7528 5408 4872 5398 4091 5337 10118 2193 5926 3881 8262 7505 5216 10620 5366 5777 OMEPRAZOLE (M+H)+ Omeprazole 1869261 1201989 OMEPRAZOLE SULFONE (2M+NA)+ Omeprazole sulfone 215673 235147 OMEPRAZOLE SULFONE (M+H)+ Omeprazole sulfone 17795 2979114 2701 3418745 ORNITHINE (M+H)+ Ornithine 4487 5045 5210 3458 7527 3967 4568 6950 6365 6131 2690 5504 4995 5152 5655 4526 3878 4006 4032 6324 3376 PANTOTHENIC ACID (M+NA)+ Pantothenic acid 109515 46172 163184 130594 102454 295044 42493 174566 83134 69568 106507 74761 113458 210973 48637 181384 255299 205432 158160 246111 84806 PHENYLALANINE (M+H)+ Phenylalanine 72451 87384 55917 13986 42762 63493 14324 32581 46359 37179 17452 16518 72280 52225 52969 30044 43626 24794 PIPECOLIC ACID (M+H)+ Pipecolic acid 627387 411997 628192 512534 566028 296991 229177 501781 259660 253904 315345 409284 507895 PROGESTERONE (M+H)+ Progesterone 27280 19630 17639 26168 15827 19420 17196 19031 22950 21417 17289 89038 18412 17539 17152 17552 18644 22197 21584 61607 PROLINE (M+H)+ Proline 1968268 1672447 2284562 3933728 1797177 1470852 1947509 2225733 1886600 2297264 1138502 1310547 2048798 2521278 2161516 1649671 1681097 1092728 1857329 2333914 1272773 PROSTAGLANDIN E2 (M+H)+ PGE2 6287 11973 12910 12333 21388 10312 1363 42786 10417 12143 21749 13467 RIBOFLAVIN (M+NA)+ Riboflavin 3685 4160 2959 4783 1380 2879 1222 4413 3266 14308 4076 3193 3058 4084 8994 24587 6456 4090 S-ADENOSYL-L-HOMOCYSTEINE (M+H)+ S-Adenosylhomocysteine 9147 6707 6047 12113 8332 8818 7092 16097 12065 10790 7427 9728 7995 8466 8848 9642 8472 9415 9227 8887 13650 SUCROSE (M+NA)+ Sucrose 5955 11257 2518 6367 2095 27557 1487 2969 5851 4436 3794 7263 3717 2560 4686 1709 1680 3128 2175 4025 3082 TAUROCHOLIC ACID (M+NA)+ Taurocholic acid 7628 10305 9818 7215 8415 5383 5332 2590 3709 16474 17125 3535 THEOBROMINE (M+H)+ Theobromine 773828 81608 502370 1221597 4162482 2956293 567876 934239 6537826 2563959 4321674 1051845 2581410 2714111 494497 1445206 2077329 317992 852783 4468744 3275750 THEOBROMINE (M+NA)+ Theobromine 20598 2313 163476 26065 8095 38258 93462 149478 51600 164373 26892 47327 45529 18262 61748 92071 83656 46151 THEOPHYLLINE (M+H)+ Theophylline 464561 55488 202461 1036606 159941 67211 201803 146865 507270 780371 739617 566548 85150 60105 326377 72079 783392 117441 259068 73332 45172 THEOPHYLLINE (M+NA)+ Theophylline 223294 23655 167304 543318 131874 95273 121949 74380 200595 340751 330133 251170 75126 110781 153421 138351 299942 105776 32312 40175 26477 TRYPTOPHAN (M+NA)+ Tryptophan 961601 1061185 852236 1051620 1476030 1097929 1298727 1010912 1225259 1077060 1172261 1099161 1015214 1080704 996812 971375 1105928 1000039 968002 1254708 1076496 TYROSINE (M+H)+ Tyrosine 4999494 5811326 5334113 5590897 8129190 4613965 6906518 5120351 3465969 6487273 3169944 6058906 4873890 4481238 4185596 3847289 5287101 4240284 4685086 4863413 3198000 TYROSINE (M+NA)+ Tyrosine 125563 190709 118278 131519 217768 107043 203491 163651 149647 96143 108211 107526 100162 108395 85339 147274 65965 URIC ACID (M+H)+ Uric acid 1740276 1080872 1641332 1483318 1067355 1612592 943077 1374623 1290889 1282471 1562252 1153269 1261793 1721246 1560015 1309285 1233017 1263846 2161389 1304554 1587336 URIDINE (M+NA)+ Uridine 39141 44890 30771 48121 43673 37900 33482 21449 43673 33144 22307 27624 48143 22694 17897 37264 20748 40036 29494 32679 25603