Data for (Study ST000241)
(Analysis AN000373)Values for each metabolite have been scaled by dividing by the mean across all factors Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study| Metabolite | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 |
|---|---|---|---|---|---|---|---|---|
| 1,11-Undecanedicarboxylic acid | 0.5475 | 0.1217 | 4.2940 | 0.5627 | 0.2828 | 0.1477 | 0.1353 | 0.2064 |
| 11^-Carboxy-alpha-tocotrienol | 0.1861 | 0.4770 | 0.5146 | 1.1066 | 1.7839 | 1.3407 | 1.7122 | 0.6076 |
| 11-Hydroxyeicosatetraenoate glyceryl ester | 0.4304 | 0.7238 | 1.5720 | 0.8626 | 0.5412 | NA | 2.3835 | 0.4865 |
| 12(13)Ep-9-KODE | 4.6166 | NA | 0.2545 | 0.1162 | 0.1512 | 0.2568 | 0.1465 | 0.1251 |
| 1,25-Dihydroxyvitamin D3-26,23-lactone | 1.3948 | 0.0623 | 0.1143 | 2.1449 | 1.5688 | 0.4811 | 0.0985 | 2.1354 |
| 12-Ketodeoxycholic acid | 0.9145 | 0.4117 | 0.7528 | 0.9892 | 1.5404 | 0.7899 | 1.4188 | 1.3784 |
| 13,14-Dihydro-15-oxo-lipoxin A4 | NA | NA | 2.7361 | 0.1208 | 0.0554 | NA | 0.0755 | 0.2097 |
| 13,14-Dihydro- lipoxin A4 | 6.5306 | 0.0812 | 0.1776 | 0.1050 | 0.1180 | 0.1880 | 0.4154 | 0.3842 |
| 13^-carboxy-alpha-tocotrienol | 1.5146 | 1.2804 | 1.2251 | 0.8250 | 0.2861 | 0.3156 | 2.4127 | 0.4055 |
| 13^-Carboxy-gama-tocopherol | 5.2234 | 0.4182 | 0.5038 | 0.2017 | 0.2149 | 0.3534 | 0.7882 | 0.2964 |
| 13^-carboxy-gama-tocotrienol | 1.4001 | 0.7593 | 1.2831 | 0.6408 | 0.7008 | 0.6964 | 1.0095 | 1.5099 |
| 13^-hydroxy-alpha-tocotrienol | 4.5831 | 0.1705 | 0.3865 | 0.1375 | 0.1725 | 0.3375 | 0.9123 | 0.2974 |
| 13-OxoODE | 5.7621 | 0.1821 | 0.2508 | 0.2771 | 0.3254 | 0.3991 | 0.4265 | 0.3769 |
| 16b-Hydroxystanozolol | 0.9029 | 0.7074 | 0.8142 | 1.2425 | 1.1309 | 0.1762 | 0.5155 | 2.5103 |
| 16-hydroxy hexadecanoic acid | 0.5231 | 1.3278 | 0.6816 | 1.8080 | 1.3203 | 0.9641 | 0.3078 | 1.0672 |
| 19-Hydroxy-PGE2 | 0.0053 | 0.0160 | 5.1239 | 1.7061 | 0.0785 | 0.0078 | 0.0053 | 0.0633 |
| 1D-Myo-inositol 1,4-bisphosphate | NA | 1.5661 | 1.4160 | NA | 0.0497 | 0.3347 | NA | NA |
| 24,25-Dihydroxyvitamin D | 4.5058 | 0.6331 | 0.5234 | 0.0933 | 0.0400 | 0.2169 | 0.5011 | 0.8465 |
| 24-Hydroxycholesterol | 0.9742 | 0.4861 | 0.2400 | NA | NA | 0.0702 | 0.5756 | 2.6915 |
| 2,6 dimethylheptanoyl carnitine | 0.8832 | 0.8163 | 0.7555 | 0.8286 | 0.6804 | 1.4647 | 1.4915 | 1.0798 |
| 2-Arachidonylglycerol | 2.5441 | 0.6747 | 0.2953 | 0.1694 | 0.0260 | 0.0041 | 1.4338 | 1.4070 |
| 2-Hexaprenyl-3-methyl-6-methoxy-1,4 benzoquinone | 2.0328 | 0.7789 | 0.2858 | 1.0529 | 1.2802 | 0.6291 | 0.1690 | 0.1959 |
| 2-Hexaprenyl-6-methoxy-1,4-benzoquinol | 3.9814 | 0.1812 | 0.1026 | 0.4277 | 0.3393 | 0.2676 | 0.8948 | 0.2566 |
| 2-Hydroxylauroylcarnitine | 3.6116 | 0.2608 | 0.6579 | 0.1124 | 0.0189 | NA | 1.4920 | 0.5195 |
| 2-Hydroxymyristic acid | 1.4155 | 0.5174 | 0.8196 | 0.6902 | 0.5689 | 1.0637 | 0.7145 | 2.1151 |
| 2-Phosphoglyceric acid | 0.8008 | 0.0531 | NA | 3.1299 | 0.8524 | NA | NA | 0.1638 |
| 2-trans,4-cis-Decadienoylcarnitine | 0.0977 | NA | 4.1794 | 0.3085 | 0.0902 | 0.0953 | 0.2499 | 0.3613 |
| 3a,20b-Pregnediol | 1.8470 | 0.6785 | 0.8256 | 1.6588 | 0.1626 | 1.2132 | 0.3359 | 1.3496 |
| 3b-Allotetrahydrocortisol | 0.0657 | 0.0564 | 0.0534 | 0.4219 | 0.0969 | 5.3206 | 0.0364 | 0.0408 |
| 3D,7D,11D-Phytanic acid | 0.2933 | 0.9081 | 0.4493 | 0.4559 | 0.6928 | 0.8197 | 1.4561 | 2.4535 |
| 3-Hydroxy-5, 8-tetradecadiencarnitine | 1.1947 | 0.8116 | 0.7436 | 0.9121 | 0.8548 | 0.9447 | 2.0374 | 0.5010 |
| 3-Hydroxy-cis-5-tetradecenoylcarnitine | 0.4538 | 3.5520 | 0.4127 | 0.0705 | NA | NA | 1.3486 | 0.1624 |
| 3-Hydroxyhexdecanedioyl-CoA | NA | NA | 0.0115 | 3.3042 | 0.0399 | 0.0132 | NA | 0.6521 |
| 3-Methylcrotonyl-CoA | 1.5598 | NA | 0.1918 | 0.3647 | 0.2260 | NA | 0.6613 | 1.5180 |
| 3-O-Sulfogalactosylceramide (d18:1/24:1(15Z)) | 0.0574 | 0.3178 | 0.0743 | 0.1112 | 5.3785 | 0.0710 | 0.0809 | 0.0642 |
| 3-Oxo-4,6-choladienoic acid | 1.1372 | 0.7156 | 0.7575 | 0.9127 | 0.7904 | 1.0003 | 0.3260 | 2.3602 |
| 3-Oxododecanoyl-CoA | 0.0290 | 0.0323 | 0.0334 | 3.1043 | 0.0755 | 0.0727 | NA | 1.0987 |
| 4,4-Dimethyl-14alpha-hydroxymethyl-5alpha-cholesta-8-en-3beta-ol | 2.1647 | 0.0940 | 0.1509 | 1.8113 | 1.2422 | 0.3912 | 0.2802 | 0.0864 |
| 4,4-Dimethylcholesta-8,14,24-trienol | 0.1992 | NA | NA | 0.9805 | 2.2010 | 1.2527 | 0.0916 | 0.1037 |
| 4Alpha-hydroxymethyl-5alpha-cholesta-8,24-dien-3beta-ol | NA | 2.0799 | 0.6734 | 0.3101 | NA | NA | 0.3984 | 0.3066 |
| 4Alpha-hydroxymethyl-5alpha-cholesta-8-en-3beta-ol | 1.4703 | 0.2523 | 0.7659 | NA | NA | 0.0465 | 0.3690 | 2.4602 |
| 4-oxo-Retinoic acid | 0.2808 | 0.4827 | 2.3973 | 0.9322 | 1.3307 | 1.5525 | 0.1464 | 0.8774 |
| 4-Phosphopantothenoylcysteine | 0.0096 | NA | 0.0105 | 0.7728 | 1.5642 | 2.3129 | NA | 0.0102 |
| 5,6-Dihydroxyprostaglandin F1a | NA | 0.2120 | 2.1113 | NA | NA | NA | 0.0301 | NA |
| 5a-Cholesta-8,24-dien-3-one | 0.2638 | 0.6553 | 0.0793 | 0.5244 | 1.0273 | 2.5847 | 1.0020 | 1.8632 |
| 5a-Cholestane-3a,7a,12a,25-tetrol | 0.0780 | 0.0320 | NA | 2.9056 | NA | NA | 0.0361 | 0.0505 |
| 5b-Cholestane-3a,7a,12a,23R,25-pentol | NA | NA | 0.6561 | 0.0491 | 1.7804 | 0.0462 | 0.0415 | 2.4713 |
| 5-b-Cholestane-3a ,7a ,12a-triol | NA | 1.0447 | 1.2701 | NA | NA | NA | 0.0556 | NA |
| 5b-Pregnediol | 2.0178 | 0.0143 | 0.0162 | 0.8056 | 1.4234 | 1.8752 | 0.2704 | 0.9427 |
| 5-Taurinomethyl-2-thiouridine | 0.0136 | 0.0114 | NA | 0.3315 | 2.9863 | NA | 0.0102 | NA |
| 6,7-Dimethyl-8-(1-D-ribityl)lumazine | 1.5521 | 0.6956 | 0.6401 | 0.3181 | 1.4232 | 0.1397 | 1.1094 | 1.8350 |
| 6-Hydroxy flavin adenine dinucleotide | 1.3518 | NA | 0.2964 | NA | NA | NA | NA | NA |
| 7,7^,8,8^,11,11^,12,12^-Hexahydro-y,y-Carotene | 1.2039 | 0.8471 | 0.8592 | 1.0432 | 0.9239 | 1.1069 | 0.5459 | 1.4698 |
| 7a,12a-Dihydroxy-3-oxo-4-cholenoic acid | 2.4064 | 0.4806 | 0.5813 | 0.1127 | 0.0495 | 0.0311 | 3.0745 | 0.9409 |
| 7^-carboxy-gama-tocotrienol | 4.3649 | 0.0982 | 0.0624 | 0.0536 | NA | 0.0749 | 0.0993 | 0.1160 |
| 7-Dehydrocholesterol | 0.0362 | 0.1329 | 0.0584 | 0.6079 | 1.2000 | 5.5253 | 0.3376 | 0.1017 |
| 7-Ketocholesterol | 4.0917 | 0.7167 | 0.8123 | 0.1424 | 0.1079 | 0.1819 | 1.2137 | 0.7333 |
| 7-Ketodeoxycholic acid | 1.0182 | 0.9324 | 1.2158 | 1.0973 | 0.7722 | 0.0255 | 1.9512 | 0.9874 |
| 8,11,14-Eicosatrienoic acid | 0.0331 | 0.0606 | 0.0300 | 0.5771 | 0.8153 | 3.5350 | 0.0354 | 0.0295 |
| 8-iso-15-keto-PGE2 | 0.1645 | 0.2189 | 1.2147 | 3.0232 | 0.1139 | NA | NA | 0.1701 |
| 9^-Carboxy-gama-chromanol | 1.5755 | 1.1637 | 1.1531 | 0.7020 | 1.0727 | 1.1139 | 0.6666 | 0.5526 |
| 9^-carboxy-gama-tocotrienol | 0.0836 | 0.0709 | 3.7577 | 0.7020 | 0.3482 | 0.1506 | 0.0712 | 0.4925 |
| 9-Decenoylcarnitine | NA | 0.2890 | 0.6549 | NA | NA | 0.2448 | 2.9021 | 0.1306 |
| Acetylphosphate | NA | 0.0066 | NA | NA | 0.1235 | 2.8695 | 0.0075 | 0.0071 |
| Adenosine | 0.0908 | 0.0416 | 0.0385 | 3.8792 | 0.0391 | 0.0476 | 0.0355 | 0.3445 |
| Adenosine tetraphosphate | NA | 0.0067 | 0.0123 | 0.3865 | 0.4532 | 3.4809 | 0.0069 | NA |
| Adenosylcobimide-GDP | 0.7549 | 0.6858 | 0.4579 | 1.6291 | 1.5174 | 1.2942 | 0.2276 | 1.4331 |
| Aerobactin | NA | 0.2559 | 0.2953 | 1.4829 | NA | NA | NA | NA |
| Alpha-CEHC | 0.0341 | 0.0595 | 3.4555 | 1.5937 | 1.2062 | 0.0520 | 0.0500 | 0.9164 |
| Aminopterin | 2.9211 | NA | NA | 0.3057 | 0.3705 | 0.7080 | 0.0842 | NA |
| Angiotensin III | NA | NA | NA | NA | NA | NA | 1.3058 | 0.0825 |
| Behenic acid | NA | 1.2600 | 1.0461 | NA | NA | NA | 0.0817 | NA |
| Beta-Cryptoxanthin | 4.4700 | 0.1917 | 0.2612 | 0.5472 | 0.3173 | 0.7945 | 0.5341 | 0.1408 |
| Brompheniramine | 0.1598 | 0.2014 | 1.6733 | 0.7982 | 1.2194 | 1.2588 | NA | 1.1290 |
| Capryloylcholine | NA | 0.1893 | NA | NA | NA | NA | 1.3564 | 0.8708 |
| CE(14:0) | 0.7290 | 0.2591 | 0.1925 | 2.0654 | 1.7755 | 0.5044 | 0.1512 | 1.4197 |
| CE(14:1(9Z)) | 0.9905 | 0.3038 | 0.2707 | 2.0608 | 1.6641 | 0.0722 | 0.7102 | 1.9278 |
| CE(18:3(6Z,9Z,12Z)) | NA | 0.0634 | 0.2329 | 1.0764 | 0.9902 | 2.3446 | 0.0045 | NA |
| CE(20:4(5Z,8Z,11Z,14Z) | NA | 3.2037 | 1.7548 | 0.0041 | 0.0098 | 0.0276 | NA | NA |
| CE(20:5(5Z,8Z,11Z,14Z,17Z) | NA | 0.0030 | 0.0115 | 0.1150 | 0.3049 | 4.5654 | 0.0032 | 0.0034 |
| CE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | NA | 0.0195 | NA | 0.0446 | 0.0223 | 3.2603 | NA | 0.0211 |
| CE(5:0) | NA | 0.0240 | NA | 0.2495 | 0.8402 | 3.5443 | 0.0182 | 0.0189 |
| Celastrol | 1.8576 | 0.4111 | 0.6604 | 0.5177 | 0.6544 | 0.2405 | 2.7546 | 0.9037 |
| Ceramide (d18:1/9Z-18:1) | 0.0912 | 0.0861 | 0.2207 | 4.1413 | 1.0576 | 0.2585 | 0.0939 | 0.2315 |
| Cer(d18:0/24:0) | 2.3709 | 0.5967 | 0.8360 | 0.7795 | 0.0197 | 0.0191 | 0.7795 | 1.2911 |
| Cer(d18:1/22:1(13Z)) | NA | 0.0121 | 0.0253 | 3.7078 | 0.1187 | 0.0526 | NA | 1.7586 |
| Cervonoyl ethanolamide | 0.6848 | 0.5937 | 0.7230 | 1.6065 | 0.2367 | 0.0431 | 3.4198 | 0.6924 |
| Chitosan | 1.6214 | 0.3426 | 1.0579 | 1.6194 | 0.6629 | NA | 0.8512 | 0.5130 |
| Cholesterol sulfate | 0.0688 | 2.8260 | 0.0448 | 0.0502 | 0.0489 | 1.3732 | 0.0711 | 0.0476 |
| Cholesteryl acetate | 1.8507 | 1.1885 | 1.6761 | 0.0240 | 0.0450 | 0.0228 | 1.1000 | 0.4799 |
| Cholic acid glucuronide | NA | NA | NA | 1.6439 | 0.0345 | NA | 0.0339 | NA |
| CL(20:1(11Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(11Z)) | 0.0922 | NA | NA | NA | NA | NA | NA | 1.3026 |
| CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) | 0.1194 | NA | NA | 2.3055 | 0.1584 | NA | NA | 0.1113 |
| Cotinineglucuronide | 4.3339 | 0.2847 | 0.2794 | 0.1833 | 0.1713 | 0.2946 | 0.1436 | 0.1627 |
| Cysteineglutathione disulfide | 4.1296 | 0.1973 | 0.1153 | 1.0364 | 0.5408 | 0.8237 | 0.1326 | 0.1604 |
| Cysteinylglycine | NA | 0.3872 | 0.3093 | NA | NA | 1.9613 | 0.3809 | NA |
| Delphinidin | 0.3884 | 0.0215 | 0.0220 | 4.0327 | 1.5325 | 0.1721 | 0.2285 | 0.0233 |
| Dextrorphan O-glucuronide | 3.9511 | 0.1497 | 0.3858 | 0.4811 | 0.5250 | 0.8100 | 0.9302 | 0.7670 |
| DG(14:0/15:0/0:0) | 1.9872 | NA | NA | 0.6528 | 0.3189 | NA | 0.5312 | 0.5118 |
| DG(14:0/18:1(11Z)/0:0) | 1.8473 | 0.8404 | 1.1547 | 0.1080 | NA | NA | 1.4553 | 0.5943 |
| DG(14:0/20:2(11Z,14Z)/0:0) | 2.6012 | NA | 0.1149 | 0.9107 | 0.3527 | 0.9895 | NA | 0.1615 |
| DG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) | 4.1643 | 0.3814 | 0.4887 | 0.5745 | 0.3622 | 0.8514 | 0.7573 | 0.4202 |
| DG(14:1(9Z)/14:1(9Z)/0:0) | 4.7843 | 0.3685 | 0.3390 | 0.2580 | 0.2569 | 0.6511 | 0.5514 | 0.3698 |
| DG(14:1(9Z)/16:1(9Z)/0:0) | NA | NA | NA | NA | 0.6687 | 1.6374 | NA | 0.0819 |
| DG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) | 0.8467 | 0.6017 | 1.0313 | 0.5732 | 2.2007 | 1.4062 | 0.4472 | 0.8931 |
| DG(15:0/16:0/0:0) | 0.0624 | 0.0481 | NA | 4.2065 | 0.2201 | 0.1823 | NA | 0.6508 |
| DG(15:0/22:1(13Z)/0:0) | 1.0164 | 0.3670 | 0.4341 | 0.9136 | 1.1980 | 0.8809 | 2.0990 | 1.0910 |
| DG(15:0/24:0/0:0) | 0.1311 | 1.6812 | 2.1725 | 0.0491 | NA | NA | 0.3708 | 0.0973 |
| DG(15:0/24:1(15Z)/0:0) | 0.5099 | 3.2670 | 2.5445 | 0.4573 | 0.2964 | 0.1806 | 0.4093 | 0.3351 |
| DG(16:0/22:4(7Z,10Z,13Z,16Z)/0:0) | 0.0869 | 0.0507 | 0.0561 | 0.1844 | 1.1302 | 3.6872 | 0.2392 | 0.4240 |
| DG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) | 0.0588 | 0.3526 | 2.8908 | 0.0944 | 0.0583 | NA | NA | NA |
| DG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) | NA | 0.1356 | NA | 0.1020 | 0.4235 | 2.3767 | NA | 0.0732 |
| DG(18:1(11Z)/22:2(13Z,16Z)/0:0) | 0.0227 | 3.6222 | 1.6265 | 0.0305 | 0.0155 | NA | 0.0270 | 0.0237 |
| DG(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) | 5.2511 | 0.2007 | 0.3043 | 0.3240 | 0.4476 | 0.3522 | 0.6794 | 0.2269 |
| DG(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) | 0.2269 | 2.1930 | 1.3174 | 1.1410 | 0.8493 | 0.1400 | 1.1289 | 1.0035 |
| DG(22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) | 0.4879 | 0.8883 | 1.1042 | 0.8945 | 1.8232 | 0.9587 | 0.3238 | 1.5194 |
| DG(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) | 0.3630 | 2.0458 | 3.9279 | 0.4104 | 0.3556 | 0.1291 | 0.2374 | 0.5307 |
| Dihomo-gamma-Linolenoyl ethanolamide | NA | NA | NA | 1.6361 | NA | NA | 0.0616 | 0.0300 |
| Dihydrofolic acid | 2.3449 | 0.6256 | 0.6472 | 1.0473 | 0.7604 | 1.2264 | 0.5738 | 0.7744 |
| Dihydrothymine | 3.4935 | 0.9742 | 0.1665 | 0.8685 | 0.8453 | 0.8850 | 0.2822 | 0.4849 |
| Dihydroxyacetone Phosphate Acyl Ester | NA | 1.9846 | 0.6389 | NA | NA | NA | 0.0659 | 0.0636 |
| Dimethylarsinous acid | 1.1475 | 0.0152 | 0.0153 | 1.5886 | 2.2058 | 1.0866 | 0.7215 | 0.5631 |
| Disialyllacto-N-tetraose | 1.6334 | 0.3853 | 0.3507 | 1.4111 | 1.6673 | 0.8574 | 0.9506 | 0.7442 |
| D-Limonene | 1.1119 | NA | 0.1027 | 1.1702 | 0.8841 | 0.2029 | 0.0823 | 1.9702 |
| Docosamide | 0.0529 | 0.0518 | 0.0462 | NA | NA | 2.8908 | 0.0650 | 0.0558 |
| Dolichyl beta-D-mannosyl phosphate | NA | NA | NA | 2.2345 | 0.0844 | NA | NA | 0.0433 |
| D-Urobilin | 3.7133 | 0.2327 | 0.0634 | 0.2828 | 0.0813 | 0.8807 | NA | 0.0669 |
| Eicosenoic acid | NA | 0.3864 | 1.9147 | NA | NA | NA | 0.0967 | NA |
| Endomorphin-2 | 0.6009 | 2.3474 | 2.6175 | 0.3752 | 0.4042 | 0.4236 | 0.7702 | 0.4610 |
| Erucic acid | 0.0180 | 1.9221 | 2.1600 | 0.1467 | 0.1414 | NA | NA | NA |
| Estriol 3-sulfate 16-glucuronide | 0.6936 | 0.1197 | 3.2554 | 0.2205 | 0.1360 | 0.9665 | 0.5910 | 0.1210 |
| Fructose 1,6-bisphosphate | 1.2306 | 0.2161 | 0.1243 | 3.3603 | 1.2551 | 0.2835 | 0.5670 | 0.1608 |
| Gabapentin | 4.1977 | 0.2935 | 0.6171 | 0.2568 | 0.2989 | 0.2104 | 0.3248 | 0.3249 |
| Galabiosylceramide (d18:1/26:0) | 0.4764 | 0.2072 | 0.2311 | 0.1532 | 0.3823 | 5.7751 | 0.2727 | 0.2961 |
| Galactosylceramide (d18:1/14:0) | NA | 1.1873 | 1.6691 | NA | 0.0236 | 0.4690 | NA | NA |
| Gamma-Aminobutyryl-lysine | 0.0543 | 1.8386 | 0.9960 | NA | NA | 0.3908 | 0.0513 | NA |
| Gamma-Glutamylcysteine | NA | 0.0732 | 0.0671 | 0.3699 | 0.5842 | 3.4164 | 0.0792 | 0.1802 |
| Gamma-linolenyl carnitine | 0.3002 | 1.2056 | 1.2709 | 0.6188 | 0.0426 | 0.0426 | 2.6305 | NA |
| Ganglioside GM3 (d18:0/16:0) | NA | NA | NA | 2.7086 | 0.0702 | 0.0369 | NA | 0.2323 |
| Ganglioside GM3 (d18:0/24:0) | 1.1482 | 1.1558 | 1.1750 | 1.2965 | 0.4448 | 0.6700 | 1.1827 | 0.9270 |
| Ganglioside GM3 (d18:0/25:0) | 1.1211 | 0.9700 | 1.1579 | 1.1033 | 0.7359 | 0.7737 | 0.9332 | 1.2051 |
| Ganglioside GM3 (d18:1/23:0) | 1.1901 | 0.8911 | 0.9470 | 0.9756 | 0.9605 | 1.1946 | 0.9303 | 0.9107 |
| Ganglioside GT3 (d18:1/16:0) | 1.7185 | 0.0964 | 0.4633 | 0.9278 | 1.1830 | 1.1309 | NA | NA |
| Ganglioside GT3 (d18:1/18:1(11Z)) | 0.6489 | 0.6058 | 0.5726 | NA | NA | 0.0896 | 2.4762 | NA |
| Geranylgeranyl-PP | 2.6080 | 0.1953 | 0.2130 | 1.9241 | 1.6254 | 0.5549 | 0.5312 | 0.3482 |
| Gestrinone | 0.2205 | 0.2074 | 4.7735 | 0.3599 | 0.3729 | 0.1969 | 0.1818 | 0.6226 |
| Glucosylceramide (d18:1/12:0) | NA | 1.7147 | 2.2831 | 0.0464 | 0.1212 | 0.1988 | NA | NA |
| Glucosylceramide (d18:1/26:0) | 0.0195 | 0.0273 | 0.0199 | 4.2002 | 0.0893 | 0.0360 | NA | 0.3724 |
| Glucosylsphingosine | NA | 0.0082 | 0.9493 | 1.2709 | 1.6419 | 0.0069 | NA | 0.7996 |
| Glycocholic acid | 0.1398 | 3.9287 | 0.1616 | 0.1158 | 0.1683 | 1.9823 | 0.1731 | 0.2361 |
| Heptanoic acid | 1.5225 | 0.7378 | 0.7475 | 1.0161 | 0.8090 | 0.6736 | 1.2650 | 1.2285 |
| Hexacosanoic acid | 0.0375 | 0.0539 | 0.0365 | 0.3763 | 3.5363 | NA | 0.0437 | NA |
| Hexacosanoyl carnitine | 1.2397 | 0.9392 | 1.0931 | 0.7582 | 0.7237 | 0.5572 | 0.5096 | 2.1793 |
| Hexadecanedioic acid | 0.0210 | 0.0318 | 2.4222 | 2.5177 | 0.0199 | 0.0179 | 0.0159 | 0.0169 |
| Homophytanic acid | 0.0001 | 1.9781 | 1.6881 | 0.0011 | NA | NA | 0.0001 | 0.0001 |
| Homoveratric acid | 1.3035 | 0.7165 | 1.6461 | 0.4071 | 0.5942 | 0.6099 | 1.0733 | 1.2489 |
| Hypogeic acid | 0.0847 | 0.1745 | 0.0855 | 0.0962 | 0.0945 | 4.2568 | 0.0812 | NA |
| Indoleacetyl glutamine | 1.5952 | 0.6461 | 0.7872 | 1.0941 | 1.4872 | 1.2353 | 0.0807 | 0.4613 |
| Inositol 1,3,4,5,6-pentakisphosphate | 1.0202 | 0.5171 | 1.6549 | 0.9460 | 0.9801 | 1.3837 | 1.2002 | 0.2799 |
| Iodotyrosine | NA | NA | NA | 0.1327 | 0.0947 | 1.8800 | NA | NA |
| Kinetensin 4-7 | 1.0231 | 0.9754 | 0.5907 | 1.3889 | 1.5603 | 1.5143 | 0.4790 | 0.4683 |
| Kyotorphin | 1.4333 | 0.0361 | 0.1499 | 0.0310 | NA | NA | 1.0857 | 2.0133 |
| Lactyl-CoA | 3.0772 | 0.6094 | 0.5862 | 0.5896 | 0.4319 | 1.1644 | 1.1724 | 0.3689 |
| L-Aspartyl-4-phosphate | NA | 0.0057 | NA | NA | NA | 1.9928 | 0.0109 | 0.0049 |
| Leukotriene A4 | 0.2096 | 0.2450 | 2.7785 | 0.5258 | 0.6599 | 1.9102 | 0.1883 | 0.4147 |
| Leukotriene F4 | 1.0682 | 1.1251 | 0.9491 | 0.9922 | 1.0785 | 1.0733 | 0.8110 | 0.9025 |
| Linoleoyl ethanolamide | 0.8669 | 0.1584 | 0.2753 | 5.0932 | 0.4774 | 0.0246 | 0.5217 | 0.2573 |
| L(-)-Nicotine pestal | 5.4577 | 0.3981 | 0.4199 | 0.2251 | 0.2681 | 0.3621 | 0.6315 | 0.2375 |
| L-Octanoylcarnitine | 0.8279 | 0.0785 | 0.1269 | 0.5317 | 0.2997 | 0.0858 | 4.3289 | 1.1087 |
| LPA(0:0/16:0) | NA | 0.2109 | 0.1717 | 0.3558 | NA | 2.3017 | 0.1816 | 0.1748 |
| LPA(0:0/18:0) | 1.3640 | 0.7096 | 1.1949 | 0.8590 | 0.6386 | 0.7624 | 0.9172 | 1.5543 |
| L-Palmitoylcarnitine | 0.8619 | 0.2782 | 1.8664 | 0.4456 | 0.4753 | 0.7724 | 1.2304 | 2.0700 |
| L-Urobilinogen | NA | 0.0042 | 3.1226 | 2.1050 | 0.0568 | 0.0016 | NA | 0.0442 |
| LysoPC(14:0) | 0.7155 | 0.3963 | 0.1205 | 2.2423 | 1.3330 | 2.6208 | 0.1293 | 0.4423 |
| LysoPC(14:1(9Z)) | 0.0279 | 0.0316 | 4.6067 | 0.6978 | 0.5963 | 0.2101 | NA | 0.8297 |
| LysoPC(15:0) | 0.4433 | 0.4817 | 0.4982 | 1.6965 | 1.7085 | 2.1025 | 0.2967 | 0.7725 |
| LysoPC(16:0) | 0.5005 | 0.4585 | 0.4465 | 1.6767 | 1.7580 | 2.0800 | 0.1698 | 0.9101 |
| LysoPC(16:1(9Z)) | 4.9125 | 0.7326 | 0.5831 | 0.1398 | 0.2767 | 0.3682 | 0.6827 | 0.3043 |
| LysoPC(18:2(9Z,12Z)) | 1.5969 | 0.2980 | 0.4398 | 1.2764 | 1.5560 | 1.0463 | 0.3864 | 1.4002 |
| LysoPC(18:3(6Z,9Z,12Z)) | 0.3719 | 0.4385 | 0.4989 | 1.3090 | 2.2784 | 1.8748 | 0.0225 | 1.2060 |
| LysoPC(18:4(6Z,9Z,12Z,15Z)) | 2.5355 | 0.1509 | 0.8901 | 0.4190 | 0.8306 | 1.4637 | 1.0265 | 0.6105 |
| LysoPC(20:3(5Z,8Z,11Z)) | 0.2826 | 0.4072 | 0.3030 | 1.5853 | 1.5866 | 2.9120 | 0.6263 | 0.2972 |
| LysoPC(20:4(5Z,8Z,11Z,14Z)) | 0.4433 | 0.3378 | 0.2981 | 1.6450 | 2.0132 | 2.1557 | 0.5829 | 0.5240 |
| LysoPC(22:0) | 4.6418 | 0.2700 | 0.3694 | 0.2600 | 0.1289 | 0.3525 | 0.4649 | 0.4424 |
| LysoPC(22:1(13Z)) | 4.4613 | 0.4270 | 0.5367 | 0.4058 | 0.4706 | 0.5490 | 0.6873 | 0.4623 |
| LysoPE(0:0/16:0) | 0.5579 | 0.3942 | 0.3976 | 1.6649 | 1.6207 | 2.0322 | 0.1334 | 1.1991 |
| LysoPE(0:0/16:1(9Z)) | 0.7742 | 0.4956 | 0.5502 | 1.5088 | 1.1979 | 1.5622 | 0.1294 | 1.7816 |
| LysoPE(0:0/18:1(11Z)) | 0.5369 | 0.4213 | 0.3723 | 1.6945 | 1.4563 | 2.2175 | 0.6627 | 0.6386 |
| LysoPE(0:0/18:2(9Z,12Z)) | NA | 0.7457 | 2.4982 | 0.0903 | 0.0671 | 0.0439 | NA | NA |
| LysoPE(0:0/18:3(6Z,9Z,12Z)) | 0.5509 | 0.4160 | 0.4625 | 1.5281 | 1.9325 | 1.7182 | 0.2160 | 1.1757 |
| LysoPE(0:0/20:1(11Z)) | 2.5194 | 0.0712 | 0.1567 | NA | NA | NA | NA | 0.0713 |
| LysoPE(0:0/20:2(11Z,14Z)) | 2.8984 | NA | 0.1349 | 0.1695 | 0.4812 | 0.4305 | 0.3231 | 0.1658 |
| LysoPE(0:0/20:3(11Z,14Z,17Z)) | 0.3311 | 0.4962 | 0.4666 | 1.3168 | 1.7064 | 1.8857 | 1.0005 | 0.7969 |
| LysoPE(0:0/20:4(5Z,8Z,11Z,14Z)) | 0.6270 | 0.4557 | 0.3898 | 1.4912 | 1.4254 | 2.2349 | 0.7235 | 0.6525 |
| LysoPE(0:0/22:5(4Z,7Z,10Z,13Z,16Z)) | 0.9529 | 0.3325 | 0.5133 | 0.5074 | 0.4588 | 1.8876 | 0.4725 | 2.1184 |
| LysoPE(0:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z)) | 4.5187 | 0.4273 | 0.7009 | 0.1246 | 0.4624 | 0.7579 | 0.5954 | 0.4127 |
| LysoSM(d18:1) | 2.3284 | 0.8768 | 1.7083 | 0.1240 | 0.0491 | 0.1872 | 0.9208 | 0.6084 |
| Margaroylglycine | 0.0032 | 0.0729 | 0.0461 | NA | NA | 4.2102 | 0.0030 | 0.0029 |
| MG(0:0/20:2(11Z,14Z)/0:0) | 0.5239 | 2.3956 | 0.5543 | 0.5440 | 0.5983 | 2.1953 | 0.5960 | 0.5927 |
| MG(0:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) | 1.4123 | 0.9516 | 0.6104 | 1.0064 | 0.7741 | NA | 1.1574 | 1.0876 |
| MG(0:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0) | 1.2474 | 0.9710 | 0.3816 | NA | NA | NA | 0.7001 | 1.6999 |
| MG(18:0/0:0/0:0) | 0.7399 | 0.8687 | 0.8904 | 1.4063 | 1.4922 | 1.0324 | 0.9204 | 0.6497 |
| MG(18:0e/0:0/0:0) | NA | 0.0036 | NA | NA | 0.0316 | 2.6411 | 0.0030 | 0.0068 |
| Molybdenum cofactor (sulfide) | 5.2641 | 0.2665 | 0.3279 | 0.3714 | 0.3093 | 0.4330 | 0.4918 | 0.5360 |
| Myristic acid | NA | NA | NA | 0.1730 | 0.4675 | 2.3594 | NA | NA |
| N-Acetyl-L-glutamate 5-semialdehyde | 0.4475 | 0.3714 | 0.3682 | 4.6305 | 0.4362 | 0.3304 | 0.4873 | 0.3723 |
| Neuroprotectin D1 | 5.1365 | 0.1125 | 0.3316 | 0.1494 | 0.1066 | 0.1608 | 0.3956 | 0.1401 |
| N-Heptanoylglycine | 1.7396 | 0.0965 | 0.2724 | 1.4848 | 1.2034 | 0.9706 | 0.2570 | 1.6745 |
| N-Lignoceroylsphingosine | 1.9789 | 0.5644 | 0.7192 | 0.7635 | 0.2154 | 0.0377 | 2.1909 | 1.2093 |
| N,N-Dimethylaniline | 0.7731 | 1.3935 | NA | NA | NA | NA | 0.1031 | 1.4786 |
| Nodeca-10(Z)-enoic acid | 2.1184 | 0.7433 | 1.8490 | 0.7641 | 1.6525 | 0.1163 | 0.1107 | 0.6443 |
| Nodecanoic acid | NA | 0.7554 | 1.2446 | NA | NA | NA | NA | NA |
| N-Undecanoylglycine | 4.4707 | 0.4616 | 0.1424 | 0.0083 | 0.0937 | 0.0856 | 0.2805 | 1.8502 |
| Oleamide | 1.5074 | 0.3083 | 0.4609 | 0.1164 | 0.0727 | 0.0225 | 1.1589 | 4.3529 |
| O-(N-acetyl-a-neuraminosyl)-(2->3)-O-b-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1->3)-O-b-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1->3)-O-b-D-galactopyranosyl-(1->4)- D-Gluc | 1.4287 | 0.7935 | 0.8680 | 1.2745 | 1.0813 | 1.1046 | 0.7351 | 0.7144 |
| P1,P4-Bis(5^-adenosyl) tetraphosphate | NA | NA | NA | 1.5781 | NA | 0.1320 | 0.1336 | NA |
| Palmitic acid | NA | 0.0028 | NA | NA | 0.0115 | 2.3243 | NA | 0.0014 |
| Palmitic amide | 0.0551 | NA | 0.0558 | 0.0558 | 0.0575 | NA | NA | 3.5177 |
| Palmitoylglycine | 1.5444 | 0.6358 | 0.7613 | 0.3209 | 0.3393 | 0.2476 | 3.3926 | 0.7582 |
| PC(14:0/15:0) | 0.8621 | 0.7115 | 0.8797 | 0.9312 | 1.0063 | 0.9445 | 0.4373 | 2.2272 |
| PC(14:0/18:1(11Z)) | 6.4438 | 0.2317 | 0.0427 | 0.0438 | 0.0154 | 0.0064 | 0.0904 | 1.1259 |
| PC(14:0/18:2(9Z,12Z)) | 0.0374 | 0.6477 | 6.5810 | 0.0236 | 0.0038 | 0.0025 | 0.0111 | 0.0349 |
| PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z)) | 4.5226 | 0.2930 | 0.4193 | 0.4365 | 0.5120 | 0.5586 | 0.5957 | 0.6623 |
| PC(14:0/22:1(13Z)) | 0.8195 | 0.6108 | 0.7145 | 1.1523 | 1.1916 | 0.9398 | 0.7944 | 1.7771 |
| PC(14:1(9Z)/16:1(9Z)) | 0.1456 | 0.0989 | 5.7999 | 0.6610 | 0.9371 | 0.1329 | 0.1120 | 0.1126 |
| PC(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)) | 5.5884 | 0.0677 | 0.1336 | 0.0817 | 0.1137 | 0.3810 | 0.1358 | 0.2990 |
| PC(14:1(9Z)/P-16:0) | 1.3949 | 0.8446 | 0.9403 | 0.9663 | 0.7349 | 1.2547 | 0.8261 | 1.0382 |
| PC(14:1(9Z)/P-18:1(11Z)) | 0.1246 | 0.0202 | 5.3731 | 0.8137 | 0.3280 | 0.0189 | 0.0149 | 0.3260 |
| PC(15:0/16:1(9Z)) | 1.1966 | 0.6737 | 0.8070 | 1.2359 | 0.9093 | 1.1150 | 0.9352 | 1.1274 |
| PC(15:0/20:3(5Z,8Z,11Z)) | 0.7874 | 0.9104 | 0.6734 | 0.7729 | 1.5371 | 0.6391 | 1.0677 | 1.6119 |
| PC(15:0/20:4(5Z,8Z,11Z,14Z)) | 3.0359 | 0.1255 | 0.6331 | 0.0829 | 0.6743 | 0.3843 | 2.5650 | 0.4991 |
| PC(15:0/22:0) | 0.1842 | 0.0061 | 0.0065 | 0.7770 | 1.3144 | 3.6604 | 0.0172 | 0.0069 |
| PC(15:0/22:1(13Z)) | 0.8872 | NA | 2.3975 | 0.3361 | 1.0463 | 1.2550 | 0.1326 | 0.8355 |
| PC(15:0/22:2(13Z,16Z)) | 3.0273 | 0.8357 | 1.3959 | 0.3582 | 0.1131 | 0.0238 | 0.9027 | 0.6925 |
| PC(15:0/24:1(15Z)) | 0.6101 | 0.8058 | 2.5880 | 0.3574 | 1.5924 | 0.8139 | 0.4996 | 0.7328 |
| PC(16:1(9Z)/22:2(13Z,16Z)) | 0.6287 | 0.5395 | 1.7043 | 1.1007 | 2.1318 | 0.5990 | 0.2997 | 1.2311 |
| PC(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 0.1326 | 0.0750 | 0.1032 | 1.4653 | 1.2905 | 4.7706 | 0.0814 | 0.0814 |
| PC(18:1(9Z)/18:1(9Z)) | 0.1373 | 0.1624 | 0.1214 | 1.4016 | 1.1992 | 1.7032 | 0.3232 | 2.9517 |
| PC(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 0.1423 | 1.4244 | 1.2450 | 1.2721 | 1.6895 | 1.8564 | 0.0174 | 0.0255 |
| PC(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)) | NA | 0.0161 | 2.2608 | 1.9190 | 0.1758 | NA | NA | 0.3002 |
| PC(18:3(6Z,9Z,12Z)/P-18:1(11Z)) | 0.6717 | 0.5427 | 0.8660 | 1.4245 | 1.4381 | 1.2539 | 0.8022 | 1.0008 |
| PC(18:4(6Z,9Z,12Z,15Z)/P-16:0) | 0.6300 | 0.4473 | 0.4571 | 1.3613 | 1.0523 | 1.4258 | 1.4781 | 1.1481 |
| PC(20:0/24:0) | 0.0031 | 0.0914 | 0.2699 | 6.9232 | 0.2716 | 0.0947 | 0.0099 | 0.0038 |
| PC(20:2(11Z,14Z)/P-18:1(11Z)) | 2.4056 | 0.2391 | 0.2965 | 1.1134 | 0.9890 | 2.2732 | 0.3317 | 0.3515 |
| PC(20:3(5Z,8Z,11Z)/P-18:1(11Z)) | 0.3428 | 0.4087 | 0.4367 | 1.3625 | 1.2600 | 3.0766 | 0.5018 | 0.6109 |
| PC(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 0.0899 | 0.0871 | 0.0267 | 0.8201 | 0.2404 | 4.4540 | NA | 0.0231 |
| PC(20:4(5Z,8Z,11Z,14Z)/P-18:1(11Z)) | 0.9005 | 0.1500 | 0.0953 | 0.4391 | 0.2075 | 0.2109 | 5.3309 | 0.6659 |
| PC(20:5(5Z,8Z,11Z,14Z,17Z)/P-18:1(11Z)) | 0.5547 | 0.7694 | 1.1176 | 0.7077 | 0.7519 | 0.3423 | 2.9573 | 0.7992 |
| PC(22:0/24:1(15Z)) | NA | 0.0599 | 0.0133 | 2.1572 | 4.0370 | 0.0553 | 0.0127 | 0.0034 |
| PC(22:0/P-18:1(11Z)) | 0.0605 | 1.7914 | 2.0162 | 0.0855 | NA | NA | NA | 0.1302 |
| PC(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 0.5093 | 0.7930 | 1.5812 | 1.4097 | 1.2619 | 0.7755 | 0.5484 | 1.1209 |
| PC(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 0.0059 | 0.0238 | NA | 1.0802 | 1.0187 | 2.2211 | 0.0048 | NA |
| PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z)) | 0.7852 | 0.4175 | 1.1423 | 0.5214 | 0.4119 | 0.2287 | 3.8499 | 0.6433 |
| PC(24:0/24:1(15Z)) | NA | 0.0047 | 0.0037 | 2.3120 | 3.6558 | 0.0214 | 0.0023 | NA |
| PC(24:1(15Z)/24:1(15Z)) | 0.0019 | 0.1359 | 0.1841 | 0.3805 | 6.2664 | 0.0010 | 0.0303 | 0.0010 |
| PC(24:1(15Z)/P-18:1(11Z)) | 0.0159 | 1.3499 | 1.9550 | 0.0171 | NA | NA | 0.0262 | NA |
| PC(o-18:0/24:0) | 0.5705 | 0.4253 | 0.2876 | 0.6363 | 0.6706 | 0.6940 | 2.9836 | 1.8107 |
| PE(14:0/14:0) | 1.5379 | 1.1288 | 0.8087 | 0.9072 | 1.1629 | 1.0041 | 0.5195 | 0.9310 |
| PE(14:0/14:1(9Z)) | 0.0077 | 0.0080 | 3.0159 | 2.5509 | 0.0578 | 0.0089 | 0.0072 | 0.0290 |
| PE(14:0/P-18:1(11Z)) | 1.4938 | 0.7066 | 2.4017 | 0.7050 | 0.5721 | 1.0308 | 0.3298 | 0.7602 |
| PE(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 0.0100 | 0.0060 | 4.8097 | 1.3008 | 0.0041 | 0.0110 | 0.0039 | 0.1989 |
| PE(14:1(9Z)/P-16:0) | 3.8625 | 0.8875 | 0.5608 | 0.1950 | 0.2568 | 0.6609 | 0.3693 | 0.2476 |
| PE(15:0/18:4(6Z,9Z,12Z,15Z)) | 2.4992 | 0.1505 | NA | 0.1294 | 0.5099 | 1.6492 | 0.0708 | 0.4158 |
| PE(15:0/P-16:0) | 2.6456 | 0.7342 | 0.7807 | 0.8193 | 0.7983 | 1.3160 | 0.2109 | 0.4320 |
| PE(16:0/P-18:1(11Z)) | 0.6111 | 0.1729 | 1.6762 | 2.8015 | 0.4127 | 0.2391 | 1.8974 | 0.1891 |
| PE(16:1(9Z)/P-18:1(11Z)) | NA | 0.0578 | 3.0040 | 0.9710 | 0.1383 | NA | NA | 0.2008 |
| PE(18:1(11Z)/22:2(13Z,16Z)) | 0.2459 | 0.5515 | 1.0747 | 0.8140 | 1.3707 | 1.4118 | 1.4522 | 1.0791 |
| PE(18:3(6Z,9Z,12Z)/P-16:0) | 0.8062 | 0.5735 | 0.6489 | 0.6485 | 0.7244 | 0.7146 | 3.3183 | 0.5655 |
| PE(18:4(6Z,9Z,12Z,15Z)/P-18:1(11Z)) | 1.6783 | 0.9717 | 0.7712 | 0.8749 | 1.0485 | 1.1437 | 0.4555 | 1.0562 |
| PE(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 0.2742 | 0.9103 | 4.3551 | 1.8401 | 0.1024 | 0.0748 | 0.3045 | 0.1386 |
| PE(20:1(11Z)/24:1(15Z)) | 0.1480 | 0.0706 | 2.7479 | 2.4651 | 0.1716 | 0.1142 | 0.0322 | NA |
| PE(20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z)) | 0.0153 | 0.0857 | 0.2098 | 2.2691 | 1.7825 | 0.0573 | NA | NA |
| PE(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 0.2691 | 2.1986 | 1.7506 | 0.6444 | 1.0331 | 0.1103 | 1.2781 | 0.7157 |
| PE(22:4(7Z,10Z,13Z,16Z)/P-18:1(11Z)) | 0.0135 | 0.0379 | 0.0116 | 2.5953 | 2.7766 | 0.2254 | 0.0262 | 0.0275 |
| PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | NA | NA | NA | 3.2089 | 0.0366 | 0.0308 | 0.0325 | 0.4020 |
| Pentacosanoylglycine | 1.6434 | 0.0068 | 0.0138 | 1.9986 | 1.4124 | 0.9347 | 0.0177 | 0.9841 |
| PG(16:0/16:0) | 1.6470 | 1.0428 | 1.0464 | 0.8244 | 0.9653 | 1.0552 | 0.4448 | 0.9741 |
| PG(16:0/20:3(5Z,8Z,11Z)) | NA | NA | 0.1975 | 0.2508 | 0.4473 | 1.9643 | NA | 0.2115 |
| PG(18:0/18:0) | NA | NA | NA | 1.5518 | 1.9027 | 0.0224 | 0.2861 | 0.0194 |
| PG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)) | 0.2866 | 0.1593 | 0.2258 | 0.8494 | 5.7563 | 0.1190 | 0.4824 | 0.1212 |
| PG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 0.5353 | 0.1960 | 0.2761 | 0.7244 | 5.6736 | 0.1695 | 0.0986 | 0.3265 |
| PGF2a ethanolamide | 0.8437 | 1.3179 | 1.0941 | 0.4146 | NA | 0.0128 | 2.1491 | 0.8388 |
| PGP(16:0/22:5(4Z,7Z,10Z,13Z,16Z)) | 0.4534 | NA | NA | NA | NA | NA | 0.0603 | 2.1731 |
| PGP(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 1.4839 | 0.3725 | 0.8068 | 1.2881 | 1.2536 | 1.1440 | NA | 0.5868 |
| PGP(18:0/18:1(11Z)) | 1.5175 | 0.5296 | 0.4919 | 0.6592 | 0.5035 | 0.3574 | 2.2845 | 1.6563 |
| PGP(18:0/20:3(5Z,8Z,11Z)) | 0.3860 | 0.2446 | 0.3173 | 0.1308 | 0.4802 | 5.3036 | 0.5666 | 0.5708 |
| PGP(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) | 1.3378 | 0.8593 | 1.0837 | 0.8905 | 1.2322 | 1.2729 | 0.6106 | 0.7129 |
| Phosphohydroxypyruvic acid | 0.3388 | 0.1288 | NA | NA | NA | NA | 1.8960 | 1.0557 |
| Phytoene | NA | NA | 1.2857 | NA | NA | NA | NA | 0.1429 |
| Phytosphingosine | 0.0011 | 0.0022 | NA | 0.7965 | 1.8690 | NA | NA | NA |
| Phytosphingosine-1-P | 0.0694 | 0.0765 | 0.0785 | 2.8199 | 0.1765 | 0.0727 | NA | 0.0667 |
| PI(16:0/16:0) | 5.4034 | 0.1548 | 0.3214 | 0.1399 | 0.3887 | 0.3759 | 0.5241 | 0.4050 |
| PI(16:0/16:2(9Z,12Z)) | NA | 0.0974 | NA | 1.7783 | NA | NA | NA | 0.2839 |
| PI(16:0/18:1(11Z)) | 0.9977 | 0.3348 | 0.5621 | 0.4756 | 0.2679 | 0.3258 | 3.7324 | 1.3038 |
| PI(16:0/20:0) | 1.2861 | 0.2838 | 0.5690 | 1.0721 | 1.3426 | 0.6359 | 1.1899 | 1.6205 |
| PI(16:0/20:3(5Z,8Z,11Z)) | 0.3541 | NA | NA | 0.9879 | 3.1839 | 0.3739 | 0.1588 | 0.0708 |
| PI(16:0/22:2(13Z,16Z)) | 1.4420 | 0.6061 | 0.8967 | 0.8036 | 0.5648 | 0.4563 | 2.1817 | 1.0488 |
| PI(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 0.3382 | 0.2827 | 0.3219 | 1.5358 | 1.2759 | 2.2660 | NA | 0.9375 |
| PIP(16:0/20:1(11Z)) | 0.0447 | 1.5451 | 2.2910 | 0.0915 | 0.0401 | NA | 0.1363 | 0.0427 |
| Pregnetriol | NA | 1.3017 | 0.9954 | NA | NA | NA | NA | 0.1087 |
| Procaine | 0.0382 | 0.0674 | 2.8059 | 1.0529 | 0.8868 | 0.0438 | 0.0845 | 1.7691 |
| Propinol adenylate | NA | 0.0023 | NA | 0.9513 | 1.1137 | 1.2675 | NA | NA |
| Propionylcholine | NA | NA | NA | 1.7760 | 1.1617 | 1.9764 | 0.0451 | 0.0365 |
| Prostaglandin E2 ethanolamide | 0.9102 | 0.8633 | 0.7984 | 1.5741 | 1.0522 | 0.1339 | 1.4084 | 1.2596 |
| Prostaglandin F2a | 3.1097 | 0.0821 | 0.0831 | 0.1627 | 0.0818 | 0.0868 | NA | 0.0877 |
| PS(14:0/16:1(9Z)) | 0.3316 | 0.0359 | 2.8741 | 0.8418 | 0.6621 | NA | NA | 0.9331 |
| PS(14:1(9Z)/18:3(9Z,12Z,15Z)) | 4.0174 | 0.3745 | 0.5191 | 0.4389 | 0.4563 | 0.7084 | 0.7440 | 0.7415 |
| PS(16:0/16:0) | 1.4947 | 0.7806 | 1.0030 | 0.9751 | 0.7914 | 0.8284 | 1.4442 | 0.6825 |
| PS(18:0/20:0) | 0.4735 | 1.4818 | 3.4419 | 1.1722 | 0.4017 | 0.1880 | 0.3321 | 0.5088 |
| Pseudoephedrine | 5.5286 | 0.1079 | 0.3062 | 0.1094 | 0.1498 | 0.2738 | 0.1297 | 0.3646 |
| (R)-3-Hydroxy-Octadecanoic acid | 1.4334 | 0.6396 | 0.7806 | 1.1302 | 1.0903 | 1.5015 | 0.3224 | 1.1020 |
| (R)-Amphetamine | 1.4241 | 0.8855 | 1.5337 | 0.4001 | 1.3433 | 0.7400 | 1.5056 | 0.3091 |
| Retil | 0.6299 | 0.1695 | 0.1984 | 1.2482 | 0.4913 | 0.1282 | 0.7898 | 3.5004 |
| Retinoic acid | 0.0878 | 0.2281 | 3.5551 | 0.6698 | 0.7502 | NA | NA | 0.7090 |
| Retinoyl b-glucuronide | NA | NA | NA | 1.4119 | NA | NA | 0.1762 | NA |
| Ribose 1,5-bisphosphate | 2.2904 | 0.0575 | 0.0670 | 1.1378 | 1.0790 | 0.4770 | 2.1898 | 0.7016 |
| (S)-2,3-Epoxysqualene | 2.1737 | 0.6398 | 0.8444 | 1.3795 | 1.2971 | 1.3800 | 0.1053 | 0.1802 |
| S-Adenosylmethionimine | 0.0129 | 0.0112 | 0.1010 | NA | NA | 2.9154 | 0.0138 | NA |
| Selenocysteine | 1.0613 | 0.6366 | 1.0234 | NA | NA | 0.0489 | 1.1800 | 1.7327 |
| SM(d17:1/24:1(15Z)) | 1.5347 | 0.8768 | 0.7179 | 0.8782 | 1.2367 | 0.5851 | 0.6460 | 1.5246 |
| SM(d18:0/12:0) | 1.4686 | 0.9336 | 0.9059 | 0.7401 | 0.4931 | 0.4059 | 2.0691 | 0.9837 |
| SM(d18:0/14:0) | 0.1092 | 2.8669 | 1.7108 | 0.0478 | 0.0578 | NA | 0.2586 | NA |
| SM(d18:0/26:1(17Z)) | 0.1404 | 2.7969 | 2.2671 | 0.0278 | NA | NA | 0.0627 | 0.0569 |
| SM(d18:1/14:0) | 0.0346 | 3.3220 | 1.6072 | 0.0412 | NA | 0.0219 | 0.4603 | 0.0418 |
| SM(d19:1/24:1(15Z)) | 1.5195 | 0.9123 | 0.7545 | 0.8496 | 1.1538 | 0.4003 | 0.9353 | 1.4746 |
| (S)-Succinyldihydrolipoamide | 1.2474 | 1.0302 | 1.2143 | 1.3761 | 0.1160 | NA | 1.0633 | 0.9528 |
| Stearoylethanolamide | NA | NA | NA | 0.1371 | 1.8642 | 0.1333 | NA | NA |
| Testosterone glucuronide | 4.6713 | 0.2259 | 0.2049 | 0.6045 | 0.3151 | 0.7568 | 0.2119 | 0.2850 |
| Tetracosahexaenoic acid | 3.3386 | 0.0897 | 0.3434 | NA | 0.1069 | 0.0954 | 0.5192 | 0.1044 |
| Tetrahydroaldosterone-3-glucuronide | 0.4323 | 0.0504 | 0.0772 | 0.0994 | 0.1274 | 0.0924 | 0.1900 | 6.4391 |
| TG(15:0/16:0/20:2(11Z,14Z))[iso6] | 1.8333 | 1.2079 | 0.6215 | 0.1155 | 0.0896 | 0.0444 | 1.9789 | 2.1090 |
| TG(15:0/16:0/20:3(8Z,11Z,14Z))[iso6] | 0.5635 | 0.4697 | 1.0064 | 0.2002 | 0.2179 | 0.0738 | 2.0262 | 3.4423 |
| TG(15:0/16:0/20:4(5Z,8Z,11Z,14Z))[iso6] | 0.8187 | 2.2421 | 0.3043 | 0.2413 | 0.1753 | 0.0498 | 1.0979 | 3.0707 |
| TG(15:0/18:1(9Z)/16:0)[iso6] | 1.0528 | 0.2163 | 0.3496 | 0.0986 | 0.0725 | 0.0302 | 1.2133 | 4.9666 |
| TG(15:0/18:1(9Z)/16:1(9Z))[iso6] | 0.3151 | 0.6962 | 0.9427 | 0.7285 | 0.3752 | 0.5386 | 1.0245 | 3.3601 |
| TG(16:0/14:0/16:0)[iso3] | 0.0337 | 2.9657 | 0.9483 | NA | NA | 0.0245 | 0.0493 | 0.0505 |
| TG(16:0/16:0/16:0)[iso] | 1.7992 | 0.7822 | 0.8623 | 0.3667 | 0.2830 | 0.1104 | 1.5783 | 2.2179 |
| TG(16:0/16:0/16:1(9Z))[iso3] | 1.0950 | 0.5704 | 0.6969 | 0.1145 | 0.1293 | 0.0321 | 2.0732 | 2.9661 |
| TG(16:0/16:0/18:1(9Z))[iso3] | 1.8612 | 0.7691 | 1.4296 | 0.3053 | 0.1937 | 0.0857 | 0.6136 | 2.7419 |
| TG(16:0/16:0/18:2(9Z,12Z))[iso3] | 0.9454 | 1.7783 | 1.9165 | 0.2112 | 0.2467 | 0.4328 | 1.5272 | 0.9419 |
| TG(16:0/16:0/20:1(11Z))[iso3] | 0.4815 | 0.0248 | 0.0245 | 3.6642 | 1.5402 | 1.7174 | 0.1927 | 0.3547 |
| TG(16:0/16:1(9Z)/16:1(9Z))[iso3] | 0.5038 | 3.3815 | 1.2019 | 0.2146 | NA | NA | 0.3181 | 0.1184 |
| TG(16:0/18:0/18:2(9Z,12Z))[iso6] | 1.8512 | 1.2274 | 0.8840 | 0.3862 | 0.2416 | 0.0853 | 1.6065 | 1.7178 |
| TG(16:0/18:0/20:1(11Z))[iso6] | 1.8054 | 0.3950 | 0.4248 | 1.6256 | 1.4683 | 0.8565 | 0.9764 | 0.4480 |
| TG(16:0/18:1(9Z)/20:1(11Z))[iso6] | 1.7174 | 0.2434 | 0.7840 | 0.3061 | 0.3192 | 0.4770 | 1.2253 | 2.9274 |
| TG(16:0/18:2(9Z,12Z)/20:1(11Z))[iso6] | 0.6897 | 0.1141 | 0.1502 | 1.2767 | 2.1644 | 2.0622 | 0.4659 | 1.0768 |
| TG(16:0/20:0/20:4(5Z,8Z,11Z,14Z))[iso6] | 0.0111 | 2.0308 | 3.4444 | 0.0258 | 0.0355 | 0.1231 | NA | 0.0100 |
| TG(16:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6] | NA | 1.1372 | 2.1927 | NA | 0.0025 | 0.0028 | NA | 0.0023 |
| TG(16:1(9Z)/14:0/16:1(9Z))[iso3] | 1.4543 | 0.3351 | 0.2619 | NA | NA | NA | 0.8000 | 2.3001 |
| TG(18:0/18:2(9Z,12Z)/20:1(11Z))[iso6] | 1.2091 | 0.4100 | 1.3276 | 0.2330 | 1.7340 | 0.3623 | 1.5830 | 1.1410 |
| TG(18:0/20:0/20:0)[iso3] | 1.8994 | 0.0898 | 0.1385 | 1.9361 | 1.3461 | 1.2290 | 0.7360 | 0.6250 |
| TG(18:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6] | NA | 1.9667 | 3.9705 | 0.0093 | 0.0232 | 0.0242 | NA | 0.0061 |
| TG(18:1(9Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6] | NA | 2.1223 | 3.7809 | 0.0144 | 0.0152 | 0.0456 | 0.0216 | NA |
| TG(18:2(9Z,12Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6] | NA | 1.0048 | 2.2877 | 0.0064 | NA | 0.0279 | 0.0602 | NA |
| TG(20:0/20:1(11Z)/20:1(11Z))[iso3] | 0.2268 | 2.7888 | 2.6719 | 0.1391 | 0.1121 | 0.0788 | 1.8781 | 0.1043 |
| TG(20:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6] | 0.8223 | 0.2124 | 0.3908 | 1.7471 | 2.1970 | 0.0238 | 1.3977 | 0.8835 |
| TG(20:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3] | 0.0148 | 0.0040 | 0.0060 | 0.1576 | 0.1274 | 7.6682 | 0.0106 | 0.0113 |
| TG(20:1(11Z)/20:1(11Z)/20:1(11Z)) | NA | 1.6796 | 1.4315 | NA | NA | 0.0129 | NA | NA |
| TG(20:1(11Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso3] | 1.5093 | 0.4169 | 0.6973 | 0.1750 | 0.1428 | 0.1623 | 2.8221 | 1.7950 |
| TG(20:4(5Z,8Z,11Z,14Z)/14:0/18:3(9Z,12Z,15Z))[iso6] | 0.4484 | 1.1074 | 0.7742 | 1.6970 | 1.0170 | 0.0635 | 0.5735 | 2.0067 |
| TG(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] | 0.3352 | 0.3437 | 0.3028 | 0.2131 | 0.6907 | 3.3007 | 0.9767 | 1.1266 |
| TG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] | 1.5246 | 0.6964 | 0.8503 | 1.3742 | 1.2167 | 0.1234 | 1.0520 | 1.1625 |
| TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] | 1.5702 | 1.3653 | 1.4401 | 0.7139 | 0.4916 | 0.0660 | 1.0928 | 1.2601 |
| TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] | 2.0545 | 0.7480 | 0.9918 | 0.7645 | 0.2697 | 0.2486 | 1.3889 | 1.5339 |
| Thymol | 1.1036 | 0.5976 | 0.6874 | 0.8975 | 0.4050 | 0.5704 | 2.2267 | 1.1703 |
| trans-D-Decenoyl-CoA | NA | 0.0539 | NA | 2.1217 | 0.0962 | NA | NA | 0.7962 |
| Tridecanoic acid | 0.7226 | 0.4657 | 0.0535 | 0.9316 | 3.7355 | 1.4012 | 0.0292 | 0.1670 |
| Trihexosylceramide (d18:1/24:0) | NA | NA | NA | 0.0040 | 1.3320 | NA | NA | NA |
| Trihexosylceramide (d18:1/24:1(15Z)) | 0.0216 | 0.0148 | 0.0075 | NA | 3.9663 | 0.0070 | 0.0072 | 0.0066 |
| Trihexosylceramide (d18:1/9Z-18:1) | NA | NA | 1.1239 | 3.1253 | 0.0151 | 0.0163 | NA | 0.0633 |
| Triphosphate | 1.8849 | 0.5958 | 0.5456 | 0.3903 | 0.3457 | 0.6106 | 1.5561 | 2.2563 |
| Triterpenoid | 0.4304 | 0.0514 | 0.0757 | 0.5298 | 0.4907 | 0.4881 | NA | 4.9340 |
| Ubiquinol-6 | 5.2710 | 0.1822 | 0.3677 | 0.2779 | 0.4060 | 0.2813 | 0.9246 | 0.2390 |
| Undecanoylcholine | NA | 1.7516 | 1.5245 | NA | 0.0193 | NA | 0.0172 | 0.1179 |
| Uroporphyrinogen III | 0.0073 | 0.0138 | 0.0446 | 4.6648 | 0.4403 | 0.1195 | 0.0048 | 1.7105 |
| Venlafaxine | 0.1781 | 0.0443 | 0.0450 | 0.3806 | 1.2048 | 3.2631 | 0.0711 | NA |
Factors:
| F1 | Concentration (uM):0 | Treatment_compound:BSA |
| F2 | Concentration (uM):500 | Treatment_compound:CB-cis |
| F3 | Concentration (uM):500 | Treatment_compound:CB-trans |
| F4 | Concentration (uM):500 | Treatment_compound:CK-cis |
| F5 | Concentration (uM):500 | Treatment_compound:CK-trans |
| F6 | Concentration (uM):500 | Treatment_compound:K-cis |
| F7 | Concentration (uM):500 | Treatment_compound:Oleic acid |
| F8 | Concentration (uM):500 | Treatment_compound:Palmitic acid |
