metabolite_name SP_HetCD_1 SP_HetCD_2 SP_HetCD_3 SP_HetCD_4 SP_HetCD_5 SP_HetCD_6 SP_HetHFD_1 SP_HetHFD_2 SP_HetHFD_3 SP_HetHFD_4 SP_HetHFD_5 SP_HetHFD_6 SP_WTCD_1 SP_WTCD_2 SP_WTCD_3 SP_WTCD_4 SP_WTCD_5 SP_WTCD_6 SP_WTHFD_1 SP_WTHFD_2 SP_WTHFD_3 SP_WTHFD_4 SP_WTHFD_5 SP_WTHFD_6
1-Methyladenosine 14054.69 14303.74 11999.6 9365.884 10026.95 12480.97 9647.503 9615.931 8573.039 7411.765 9199.124 8498.812 8124.192 12105.12 14149.2 11443.36 10314.64 11700.51 7982.087 4758.021 5561.311 7566.873 5566.74 5539.753
1-Methylnicotinamide 1184792 1308451 1234615 916809.7 1039231 1384299 2174317 2083093 1466433 2150761 1959716 635660.1 1102980 1721697 1016671 196152.3 1829319 1647355 925674.8 740003.8 1283022 1835572 531697.9 2706280
2-Hydroxycaproic acid 1442844 1308854 1786284 1395529 1533879 1405662 1500278 1193510 1080617 1550209 1701354 2219736 1482510 1488921 1734101 1694785 1248357 1490149 1057789 1715183 1042555 1094484 1606991 1062735
2-Hydroxyvaleric acid 2502317 1935660 2449541 2252815 2723105 2399692 2214973 2297701 2330191 2255321 6647573 8121742 1894616 2057923 5463116 6791803 2346254 1783363 2130442 5627654 1600740 2229674 6366439 1698902
3-Hydroxymethylglutaric acid 3968578 1122364 1918679 1294934 1242958 1234139 1385719 1334820 1321998 1444928 1345582 1191254 3629156 1566440 1045442 960142.7 1714181 1698592 1499043 1199050 1443116 1596006 1055529 1496694
3-Methylhistidine 8006741 7833091 9412104 7705867 6864524 7520750 7491254 9488521 7334162 9261271 9209506 8729277 7227127 7637233 8351231 7079523 9060332 5426217 5305306 6435971 4495252 5295710 7406646 5728018
3-Phosphoglyceric acid 158027.1 23051.38 153957.5 265779.3 84553.94 16302.17 105654.9 99552.43 88269.39 2002341 1559147 131815.8 248255.9 58982.07 124308.8 59381.06 301681.3 155569.4 96235.35 81717.73 65889.45 124850.6 46274.27 218810.3
4-Hydroxyproline 695571.3 486896.4 723508.6 594374.8 533573.7 598245 523486.6 586590.5 605119.4 620880.8 675336.2 580651.8 884183.7 657362.3 930112.7 856586.6 584380 523189.7 525653.3 619274.4 488512.4 645384.2 705876.9 564662.4
4-Pyridoxic acid 146838.5 164495.2 224465.3 143826.4 208065.5 173259 122535.1 85820.15 122310.3 186104.2 308024.9 207230.1 85581.31 95698.6 80580.09 69958.75 138618.3 171036.4 182999.8 131006.1 107569.6 179016.3 212826.3 224676.7
4-Trimethylammoniobutanoic acid 3981946 3174459 5074766 3213984 2819624 2679545 3135260 2367860 3325912 3095710 3183460 5471325 4429631 3033061 3124079 2058809 3497558 3330205 1957312 1508009 2027675 2322942 1691934 2517027
6-Phosphogluconic acid 9373.206 0 11256.06 33942.74 0 0 0 0 0 40974.88 34999.71 0 8383.456 0 0 0 18577.51 0 0 0 0 0 0 0
6-Phosphonoglucono-D-lactone 0 0 14842.88 15879.91 0 0 7222.35 0 0 13497.45 13787.08 0 12204.35 10997.94 13435.55 0 15218.13 13681.73 0 0 0 0 0 4927.788
Acetyl-CoA 0 0 24668.1 78283.27 0 0 0 0 0 0 0 0 46042.79 0 22949.5 0 32466.06 66651.21 0 0 0 0 0 0
Acetylcysteine 24127.43 20718.25 35407.71 86028.44 22269.77 71409.38 30401.64 26272.41 19076.63 23905.06 78478.7 30694.1 498894.4 1515450 578670.4 34114.67 2595986 2748350 123719.9 19448.7 31366.79 53920.01 55826.81 346499.5
Adenine 1467012 835983 3286456 3644844 546398.4 343513.5 1051287 315324.1 284799.2 458450.9 402375.8 743155 1984424 3260044 2634459 468733.7 2327142 3920972 449383.1 198174.8 266500.4 312923.5 574380.7 604108.9
Adenosine 25674690 1028520 2578765 1857690 220628.7 309585.6 1782436 219566.3 157730.4 205797.7 371595.8 2981143 4867065 7905306 7770687 5898765 2776964 2968120 230680.6 71248.47 92648.56 155956.5 8270311 250740.7
Adenosine monophosphate 7224167 1878096 17096080 36022020 2076533 34779.8 3806463 303806 719644.2 1290324 2382541 3298099 21892110 11833000 18372010 4272233 27742800 30168000 2193454 11789.04 464512.7 716432.2 1252514 3002941
Adenosine triphosphate 16147.95 3221.803 9214.164 34636.09 8893.504 0 6342.663 2593.964 7343.923 0 0 6524.242 19757.47 9405.71 11918.11 0 15482.68 15913.81 7248.829 0 5639.788 5753.463 7595.642 4836.484
ADP 393007.3 65767.65 421807.4 1364749 126327.9 0 180850.2 64397.5 99054.04 61187.36 16010.1 179775 612664.7 191545.8 271398.3 30760.61 585904.9 424126.9 125076.6 0 67402.55 116218.7 99825.57 148314
ADP-glucose 11246.19 0 0 27412.33 0 0 0 0 0 0 0 0 6423.577 0 0 0 13888.32 0 0 0 0 0 0 0
AICAR 29198.54 0 12142.46 21775.8 0 0 0 0 0 0 0 0 16321.1 10582.46 13497.01 0 25891.49 31951.35 0 0 0 0 0 7653.768
Allantoin 5592842 5282729 6798599 6197352 5498222 5744631 5374034 6025037 5950506 6646395 6805889 4683577 5354664 4252924 4292999 4182998 6434040 4058472 5959861 3685143 5410045 6031719 4670114 6314697
Aminoadipic acid 6164816 701974.2 2274553 1152314 1341764 1021617 1270355 1205212 1025789 1409919 1058862 1078734 19175720 1463532 764660.9 726580.5 5088666 1162099 916649.9 578348.1 1096127 825187.9 689014.5 921832.5
Argininosuccinic acid 136468.4 134388.5 142361.9 129772.5 218512.2 170723.1 162090 222695.8 182011.1 364497.8 238516.3 189510.8 154868.3 96664.64 94696.3 167885.4 106633.3 90746.4 56104.58 95344.5 104137.2 92039.88 118094.2 100008.5
Ascorbic acid 6884013 7234983 8211103 4450081 10612120 6212258 13595510 12964680 12608590 10612740 9847029 9812450 8337547 6598003 6215960 11962450 4116512 6681456 13847440 10826020 8500276 12641160 9173130 12993080
Asymmetric dimethylarginine 3064419 2841677 3288756 2364547 3029263 3124008 2564873 3880188 3119923 3960610 4207423 3277145 2393207 2923526 1938285 1918181 3131398 2389082 2714821 1816435 2187474 2312251 1981687 2604158
Betaine 122961500 109455000 125541100 143976100 126745900 123929800 128842300 125239500 127287400 157084100 140917000 206297100 214533700 153784700 146816900 75776140 231600400 156285100 114558700 69726420 102828500 109347200 78444470 111061200
Butyrylcarnitine 3742547 2842519 4978367 5068848 7888240 4105470 5991459 2977530 2473513 4806750 3860130 3210884 8180129 6679619 7457485 7064180 6164512 5907565 3262569 1506749 2023213 1759572 1940992 3247343
Caprylic acid 1982716 2159368 4258575 2175752 2975246 2630487 2400313 2564077 2421308 1949066 2577027 2124713 3579496 2050251 2266523 2027437 2107153 2537514 2203213 2686608 2049856 1914415 2380189 1709742
Carnosine 745917.2 522020.9 997848.6 1711930 675312.8 603118.9 1388061 1111385 1073495 2948127 4629910 543531.6 815961 936613.1 528845 412576 932652.6 1231912 577468.1 245706.2 809598.2 696543.8 287353.7 686768.5
CDP-Ethanolamine 263324.1 28252.99 177919.8 670387.4 23354.04 0 41237.92 25339.12 26709.28 16936.36 0 25372.54 146389.5 56500.05 76174.9 0 160597.1 306442.7 52493.3 0 0 11637.75 11497.24 38513.36
Choline 22975180 20053820 25188680 35552500 26951180 22391240 25041170 20383730 32935890 73946580 88631600 37020830 24934470 35550820 35780410 20433850 35931690 56728470 27374030 17953430 23282400 30211510 19773110 28559050
cis-Aconitic acid 9909499 8777348 9842413 8200223 9203908 11403010 10670260 11170390 13881810 46777280 20530310 14172420 7287437 7789556 6373775 8254622 8704803 6833967 9891909 7034701 8937592 10215270 6679361 10849270
Citicoline 286278.3 38168.08 468927.7 1525248 72281.96 0 75648.54 17316.16 31698.8 39323.3 8528.545 95321.46 364913.1 546395.3 413455.6 0 996781.2 1297867 83550.63 0 8544.331 27377.38 50297.38 128215.5
Citric acid 62435610 52323450 64749300 69097940 66214120 63837580 79188060 79917510 79643570 172075400 88076840 84814770 58012500 53722400 54787930 63160020 56758650 54512350 65295600 59774690 63507560 71226730 54865180 71546060
Citrulline 41391260 31348770 46015960 52113380 41742300 37924160 47781580 51065010 40518820 74802320 38242120 46774640 55787560 40996470 39463680 29876800 53754390 49532910 30451290 26923590 27305130 29723250 31771710 30404320
Creatine 333002800 260046900 335874000 396824800 336737900 296784900 358001100 335718100 314385800 481904400 488233000 373485000 377035700 269657500 312336800 322419300 332716900 316744200 285378200 249152000 251425800 300474000 243583900 329264100
Creatinine 12013350 10304560 15741910 14878890 12461420 10966640 14207640 13103440 12565640 14713360 18084830 13081680 12546180 11612130 7176735 8616011 10894030 9030046 8123638 5712197 8070534 10228800 6306455 10943520
Cytidine 812968.9 768517.8 944498.4 949743 852508.1 946919.7 1034994 1041719 1280743 2132640 1759315 789051.6 790716.4 680670.1 607760.5 632333.2 954714.2 889193.4 769871.6 555132.9 608698.8 788644.8 399196.2 848456.6
Cytidine monophosphate 134571.4 19548.32 88999.82 221546.7 14319.17 0 39691.76 11400.67 5938.087 53613.61 98139.88 35449.21 144632.7 63938.62 102256.3 24658.22 193577.6 112116.7 13648.3 2763.734 6050.805 7207.426 18435.12 26988.03
Cytosine 328523.6 271642.8 311402.4 254613.5 270779.8 285878 269117.7 343520.8 366938.7 379700 521410.2 330700.6 196322.2 272338.2 190654.2 207452.3 223064.7 201156.3 292765.4 239581.7 245831.3 276564.4 245068.9 242804
D-2-Hydroxyglutaric acid 22206080 22793520 9899574 5260601 11656910 11704290 8799633 9365120 9911428 9067724 6653961 10686710 8005602 18515030 12818250 15627800 6594880 6763102 10990520 7421707 9293149 9944597 6566534 8946318
D-Fructose 233941.4 240994 387523.5 348591.1 257456.3 264588.7 282344.7 252150.6 350175.8 1193570 655014.8 510348.1 418925 381597.2 381465.3 608889.7 504649.3 487797.9 326008.5 304730 370029.9 343637.8 448278.8 311339.9
D-Glucose 52689790 53426260 106063400 94032900 51409020 52047680 74742920 68015580 73132770 109846600 65631080 68546820 72690940 107036600 100548500 56473430 104299500 114787300 67607940 62363260 64395970 74859290 61365640 66758240
D-Glucuronic acid 165152.7 50952.17 125491 148559.9 75882.14 47084.2 114159.6 71829.7 62712.75 247356.6 127961.3 84903.74 141784.9 108141.8 86862.52 90468.98 135228.1 136260.3 59319.17 58964.09 52044.11 59994.27 71154.33 85672.28
D-Glyceraldehyde 3-phosphate 55425.78 29096.66 58281.49 301722.1 41882.54 30767.16 129481.6 350741.1 208497.6 2590096 2441771 168317.7 138802.5 33794.89 214300 402300 58278.22 268076.8 143752.3 367556.4 196410.6 252420.8 79290.28 298452.9
D-Ribose 165324.5 248754.5 538889.4 282270.8 254567.6 394873.7 437994.7 427542.8 334501.4 101996.3 69148.01 262257.5 349133.4 202066.9 81492.79 85631.04 437522.5 511389.2 320747.1 308086.6 313087.8 307804.5 99409.27 158248.9
D-Ribose 5-phosphate 186271 166925.5 398778.3 1353845 286959.3 137114.4 967065.4 2021592 1134762 4180506 4820415 804334.4 799133.1 105120 740250.8 973468.1 260745 1178630 457759.8 1730820 984207.9 1370473 227374.9 1454456
D-Ribulose 5-phosphate 1101174 777933.6 1549428 2277846 204895.4 785919.2 2207249 2047877 1058499 121838.9 378475.4 3818299 2775595 921271.2 2145146 1663793 1172323 1555591 324518.3 1351935 1199122 1173122 1466939 456840.4
D-Sedoheptulose 7-phosphate 337636.9 287946.8 1759571 3090142 281475.3 28344.56 617410.2 329093.1 254959.7 1400172 1180765 402456.2 1508422 708154.9 1299494 132694.1 2736444 1518844 342513.4 364415 279170.3 362664.3 189953.3 645487.6
Deoxyuridine 293959.1 205350 262833.5 199062 231905.2 257835.2 223066.6 286346.8 298685.8 272043.2 318249.6 344805.7 292197.8 246942.6 191387.1 248946.6 227106.5 183097 271260.4 170210.4 239142.9 254418.5 199804.1 212203.1
FAD 49227.63 15086.2 70011.9 153320.9 22601.3 8998.621 24925.49 17124.62 16483.37 18086.59 11239.49 18469.6 82188.48 50101.21 55636.39 8432.216 96960.59 68058.74 27170.69 15363.87 12068.45 30763.78 12589.29 24033.94
Fructose 6-phosphate 609721.3 275666.7 1357653 2046057 340117.3 101725.2 543150.5 321200.4 267484.4 1268446 1422581 427073.3 1680637 728411.4 1224934 210131.9 2355660 1331608 366394.6 278446.7 286723.3 349117.6 234070.1 573974
Fumaric acid 2962331 1474251 3223332 2759672 1982320 1783692 2811572 1977013 1737871 4117029 2817121 2473185 2305495 1499510 1708767 1900581 4217093 2154915 1206290 991103.1 1109363 1426256 1177332 1685988
Galactonic acid 2490378 849177.3 2715579 4776301 1102059 579363.8 1506866 843274.7 929633 1431645 1649222 1305681 3378080 2712229 2262770 708665.8 3856097 3117241 1157918 668642.6 747211.9 1177688 1154783 1701782
Gluconic acid 24301380 4398623 26035490 68227940 5929707 2369826 11979660 5983134 7172640 11116510 8847927 9312285 36369740 22378220 27650840 3939365 80163980 61540640 8781100 4669150 4747864 7711361 9709036 11699690
Glucosamine 116358.4 148002.3 286114.7 218867.9 152885.4 139195.8 170231.9 179997.2 173118.1 233779.2 136772 297823.6 179029.5 280797.7 249202.1 132616.2 370014.7 330778.4 193913.3 102138.2 196417.7 130279.2 124352.1 146066.6
Glucosamine 6-phosphate 10929.97 3267.106 24700.35 45302.33 6223.066 0 10365.71 6789.789 4548.867 30472.27 35834.45 7556.319 31545.1 8895.114 21839.4 0 38219.75 25663.36 7959.358 6693.167 5509.992 6808.019 2724.652 13010.82
Glucose 6-phosphate 786614.4 401168.1 1701179 2413958 363442.6 121825.5 957631.9 516194.9 413483.2 2833912 3412647 473333.7 2484482 538312.1 1005638 292326.1 1888906 1216636 560890.6 409840.4 465366.8 545207.4 269981.4 828565.7
Glutathione 1818078 637337.1 20386770 48209070 1795763 104889.5 1959354 66728.87 157405.2 1578252 141802.6 938419.9 30437920 12037340 18905170 165499.6 41552460 25954090 693787.8 37709.37 698720.8 479448.3 1078095 7677727
Glycerol 3-phosphate 7076853 2365927 14102760 22136660 2457143 932746 5316113 1887528 2395734 3750663 5151779 4348447 20618550 15107510 15103260 1859182 21063010 25567600 3526235 1548775 1788941 2266604 2698473 4764171
Glycerophosphocholine 19321100 16119740 63426640 50100520 22356780 21601390 32006680 23958310 32721370 34495570 15895600 14407320 53038160 86776670 52323760 15911660 84306210 112500000 31657270 20645800 26878790 29834760 17600690 28449810
Glycine 24572990 7358050 10866870 14622820 4380738 3146261 10330270 5641617 3744718 6380260 8789958 6349820 12012960 11019970 8377692 3306595 9604232 11513650 3125310 2310283 2837219 3340754 2649784 5024281
Guanidoacetic acid 1250614 385721.4 732258 603079.2 312253 303362.1 445039.6 339316.4 234261.7 300938.9 441707.3 459506 399605.9 325122.3 258137.1 224579.8 375337.3 534641.9 174774 156946 163648.7 167609.2 161501.2 258885.7
Guanine 48818.91 8652.332 18105.08 22495.92 3872.839 10783.01 7069.376 0 0 0 4107.498 19285.56 17165.41 18734.35 12218.37 6291.065 23643.3 12238.07 0 0 0 2594.764 12788.16 0
Guanosine 628101.6 45746.5 63904.37 90525.8 7560.97 164046.8 39881.48 10357.22 0 0 9806.028 93652.86 93529.36 212317.2 80280.81 34681.03 116664.4 86708.41 0 0 0 0 369456.3 4969.928
Guanosine monophosphate 480342.7 65024.55 386874 1395744 103467.5 2472.722 124677.3 44030.95 49592.81 52523.05 620927.3 280228.6 630881.7 200404.4 897101.9 519871.4 910364.5 511979.2 115486.4 6283.69 34826.27 58159.13 128909.5 137338.6
Hexanoylcarnitine 327130.6 271190.3 350197 219963.3 302418.8 240066.2 254128.8 175178 240633 189539 336347.8 344907.4 372582.8 208429.5 228260.3 135403.8 179808.6 284784.7 172747.2 98700.07 171972 181730.3 96923.98 193999.1
Hippuric acid 1885456 981228.6 229255.6 145334.3 139963.5 92993.15 622222.8 505038.4 204973.4 907001.2 517529.3 437134 192511.5 255176 162595.7 333317.5 358133.4 443701 166653.6 71859.67 180682.9 93424.09 138731.8 138020.2
Hypotaurine 249983 221124 485236.5 459073.4 287858.5 259085.8 387755.3 233049.3 328544.8 389268.5 692396.2 1100018 426238.4 715766.5 713996.7 210827.9 979669.3 771810.9 314485.8 164453.9 223957.1 288595.8 204232.7 399976.3
Hypoxanthine 2153407 2023752 8484412 4499181 519209.7 891380.1 1998677 2226791 136844.5 2363771 4975193 1035118 6243789 4180726 3683750 375765.3 6334846 6481895 398479.3 36881.35 176000.7 223167.6 411429.7 547956.8
Imidazoleacetic acid 414034.1 333140 415503.1 420211 387617.6 402892 746387.9 985993.1 584876.9 1293636 2466189 925796.1 902481.9 778575.8 409346.8 612261.1 915873.6 729119.2 460786.3 746101.6 533500.3 478154.9 535082.1 667128.2
Indoxyl sulfate 6325571 5921913 6237621 6898629 8239069 5357540 10501420 7639519 11057970 9143112 4048391 3977036 5880663 5383620 1451477 1999805 8572529 5358585 7368944 1528991 6837489 8514980 1845706 8171055
Inosine 2698121 1059333 4735956 4034399 340690.5 2227066 1461410 866833.5 109829.4 337195.6 306293.5 793601.1 4447410 4594142 3537175 275517.5 4419833 5839651 362168.3 0 84940.41 139537.7 2027715 520259.9
Inosinic acid 159353.8 107396.5 990486.1 4364078 125988.5 9822.253 255356.4 13214.07 99849.49 78072.59 761421.8 316755.9 902363.7 400257.6 727938.3 77291.81 1576136 1435208 161099.3 0 31153.96 51147.41 97385.99 193399.3
Isovalerylcarnitine 257282.8 253770.3 554215.4 422731.8 428819.8 345489.8 813194.9 523526.8 401913.3 790100.7 621622 954236.2 734157 842154 949551.1 397438 1458476 762090.1 258077 237386.7 235782.8 258555.8 316802.3 402168
Kynurenic acid 41015.63 45758.7 80447.63 76725.67 85856.27 65339.89 136721.9 84180.86 44150.08 100499.8 78797.02 57583.41 73574.23 55605.92 41413.3 60430.44 61717.81 49691.15 36356.12 27595.21 37743.93 50319.79 51409.88 64863.43
L-Acetylcarnitine 106088200 98933820 120659700 89313180 90854500 91453290 112641600 92438010 119860500 120881600 141327000 128274300 126244200 85608450 93137860 81867040 96929410 106908200 105079500 63123910 91738730 86703440 66706700 108051900
L-Alanine 17344900 15169750 27366340 21743930 17295600 14311990 22775470 22361230 15244090 23035320 19602330 17872230 23766200 32307450 25829770 18584610 43076100 30540020 12557100 15318240 10767810 12334620 16384520 14859560
L-Arginine 37933500 35970830 43326590 41730650 45075010 43066370 43487290 47779330 43383420 64866210 57966690 47022420 49011640 34227040 40362390 43718300 30969730 32747410 14943030 29463840 31445040 28097380 28515700 26849830
L-Asparagine 14487590 12343120 18220350 14166620 16668430 18402250 19829380 26049370 17817150 34531320 26441750 38428100 24775980 22637380 25052880 23668040 24281930 18509470 16264650 17091590 14884170 16967900 21059040 18267210
L-Aspartic acid 1075040 306094.5 1184011 1653210 383529.1 260335.3 578477.5 296028.1 367823.8 865015.1 1322681 520406.5 1671873 746728.7 1369451 427843.8 3407204 1545498 385590.8 404418.7 315562.3 301013.5 414697.9 572311.3
L-Carnitine 153462400 142595500 165832100 144134400 146443300 121104500 148079100 136084900 145110300 141216500 142308500 176376500 187469400 181369100 175182200 120966800 227622300 166167200 122124000 111662800 100277700 105166800 105760400 126508300
L-Cystathionine 176121.7 48176.02 85840.52 93525.7 31789 42447.25 107911.1 85354.55 45010.81 80174.45 90937.75 65789.34 135384.5 100344.8 79686.23 50986.98 182666.3 77072.52 56177.6 35018.45 48763.71 53546.21 61908.09 88329.48
L-Cystine 88523.84 81017.97 19157.66 5852.478 100657 500051.8 109149.9 399650 481464.3 328290.5 196543 128190.9 0 12322.54 4499.386 288973.1 0 0 113245.9 356778.3 87540.67 262483.3 70807.98 69742.49
L-Dihydroorotic acid 231028.1 85899.12 120638.5 93661.28 95837.43 78768.7 102278.8 48352.42 63489.01 60634.36 88381.31 101670.3 119043.9 139831 63049.32 56612.29 100526.1 67852.63 59193 48405.32 68529.73 55176.79 87580.48 66625.91
L-Glutamic acid 44232820 19276490 47967190 36071900 18615220 11091370 27494610 15441130 19320610 44410350 41601550 24093360 73617180 27141830 35933140 18303860 90148430 50403350 17208550 13035430 14029580 16537300 13959570 23194520
L-Glutamine 170395500 163395000 226879200 187392000 182855800 150424700 169032700 167370700 173090800 226253100 206731500 243493500 219261300 204358300 209490800 151373100 297868600 243516100 169144800 146733800 158041300 177473000 172804000 162449300
L-Glyceric acid 1427435 1259285 2628163 2411522 2354038 2344980 3442197 3609005 3492437 2259776 2410199 3063552 2491426 1343241 1443879 1358665 1950437 2667199 3844654 2492115 3023908 3659774 1507155 2829824
L-Histidine 13256230 10120440 19118620 23735260 16599680 12455790 29611340 32982430 24805990 43381760 34524770 56998640 35871810 35107170 34578660 24921420 56103580 36219030 25616860 26673780 27201920 28311530 31611360 27592580
L-Homoserine 16264530 12822550 39218290 31053930 24687300 24239280 28248350 30035880 26021340 45923770 18494300 18976430 34528980 38317220 40972310 26002480 42461930 42637440 19216140 17515890 16314260 20889540 20029200 18612690
L-Isoleucine 14305760 11728610 18969580 18055750 17417260 15985080 24574650 24684660 15796070 29928070 18086910 16716240 21891800 21867550 24001800 23046190 27074550 23162890 12704560 15007740 11380880 12411990 20620520 13386680
L-Kynurenine 402710 389573.1 503036.8 331159.9 474990.4 512844.1 150550 222249.6 233026.8 304789.8 144427.4 179213.5 398920.1 196812.5 94489.08 93978.68 314185.1 143690.8 194831.5 88599 136660.1 221273.1 108024.3 117593.4
L-Lactic acid 275462700 221272400 290180400 289543500 338079300 186461400 402285800 249614600 321053500 601180400 627279400 269415700 364054300 304048900 285256500 276478100 260080500 312712100 234128000 184842100 219095500 323568100 204505200 383200800
L-Leucine 22625700 17735400 27569090 26392190 24138310 21175240 38180780 36996460 21382180 47774190 32924290 27199620 32933510 35625720 39813790 41489740 44243270 38544780 18042260 23450160 20268390 18455660 34954580 20289560
L-Lysine 26930270 21599430 39504880 32395570 43036450 37888330 30433660 40346130 31730340 51031920 28745480 28926360 49510800 38802610 36602490 37002020 43724200 41633850 22524510 20590200 23182710 21955740 21213260 22283600
L-Methionine 10954130 7925859 13776300 10597980 13513180 11763340 15221380 18346060 11820290 19911720 12018390 13519990 23984280 16889960 18203940 16756700 19925540 16700510 8168721 9603935 7505354 8649054 11721030 8132751
L-Phenylalanine 13552300 11104700 17143470 16118410 14737910 12023960 23583610 20620180 14689510 25542950 19849620 22855790 18495750 18259640 17014380 15124790 20909630 18279520 12710830 12206480 11273450 14335110 14551020 13181140
L-Pipecolic acid 3581351 3031148 2907115 2127806 2294889 2165566 1957389 2081200 2158005 2623297 3428426 2650529 1989058 2346396 3487895 3007014 2708521 1909434 1705393 1681677 1353774 1501362 1638610 1657010
L-Proline 45728750 30175170 65848750 55372770 65948120 43909690 106950300 139467100 67399610 143802900 89480380 101240700 90522200 115387300 112471200 109298900 135338000 104622900 39168780 61649260 36156720 40604940 87614530 50980320
L-Serine 6602763 4451043 8797447 5605407 8478574 8434664 9088933 10743040 9491548 12468500 16796780 13198150 9234864 6175750 6678392 10201590 6130227 5671574 8159573 8700766 10470950 8523857 8739871 7318220
L-Threonine 17451450 14565150 32692460 22046050 27376950 28883490 27600070 31530950 24834410 37356650 21606180 19469790 35338260 27501720 32531040 28862890 36481030 33292470 19173430 19864420 17417820 20912150 23078230 18897010
L-Tryptophan 11770530 13556800 20640660 16083550 19659620 17585730 21850900 22267620 16348960 21884230 11278440 15237460 26067210 19021570 11229120 9763285 27004020 17532840 16934890 11599550 12570110 20365650 12548390 15206830
L-Tyrosine 5342592 4722071 7858684 6179733 6868959 5348672 13913740 14585250 8414885 13642910 8136060 16300370 7579527 11543500 9504810 9695744 12177830 7643934 6567359 8100630 6151038 7647537 11114970 8073906
L-Valine 20569440 16763480 28407960 26599370 28594780 24900540 46122300 41483040 24423420 42073220 28974140 28443610 35947860 34902180 36019990 37526420 38704670 36880350 19103230 25206620 16125900 17266860 34405040 19938460
Malic acid 75881400 37504660 69881940 66652090 50170790 44183800 67938010 45701480 42542680 90670250 69001880 60295260 55393140 36303680 44159220 45914900 97938310 51153640 29072880 24970170 27677920 35117550 29298490 42067040
N-Acetyl-D-glucosamine 14903.66 10845.64 16689.77 20434.91 12822.1 11670.44 19368.38 22103.22 14145.8 26204.25 31581.51 16454.9 13281.53 17229.61 14400.55 10614.99 26855.99 24759.32 16525.61 9356.607 12427.24 13845.59 11220.85 14133.01
N-Acetyl-glucosamine 1-phosphate 68164.29 44625.07 99062.13 159236.9 50467.08 25518.99 76603.73 60613.45 57408.66 132330.6 111519.2 55105 153385.8 100093.7 106033.9 48868.7 210798.3 176177.6 44239.64 43889.16 42746.94 59060.8 36558.05 74144.52
N-Acetyl-L-alanine 786439.2 674895.1 950324.9 717429.8 814136 756299.5 889364.2 950803.1 867690.3 987750.2 959894.3 834576.3 704577.7 631100.1 495586.1 460260.3 712914.2 717655 712801.1 452288.3 583428 764313.2 522029.9 762359.4
N-Acetyl-L-aspartic acid 7696845 4845971 6719055 4874892 6324777 4835947 8478232 5256485 4627988 8676550 9695465 6879193 5432854 3682812 7832617 3051297 3944862 3369411 4825503 2346414 4464802 3705677 2671543 4478693
N-Acetyl-L-methionine 365823 238080.4 472249 348145.6 396922.6 346362.4 691224.1 762282.4 437299.5 914855.6 606951.4 576012.5 326338.5 275288.4 283170.3 366638.3 235742.7 297528.6 167406.5 195253.9 238422.9 298836.8 270154.7 281159.2
N-Acetylasparagine 243525.1 136676.4 628366.1 518873.8 189834.3 169128.7 501892.8 275065.8 182182.1 398234.4 354856.6 378128.7 361534.5 393856.1 336711.5 235835.1 450238.8 558697.1 163108.3 196649.7 162188.5 212529.3 196754.9 303503.8
N-Acetylaspartylglutamic acid 13314.88 10396.25 16180.87 31233.52 15923.62 14829.29 20304.34 11968.11 13242.95 31025.29 37331.96 17369.91 16453.38 10799.78 15029.87 10220.65 12646.75 16359.18 16983.87 8005.519 10675.16 9197.335 9741.817 12554.87
N-Acetylglutamic acid 322126.9 202628.5 465130.4 678246.9 169249 127065.8 400657.7 232242.1 133543.3 192197.4 190918.4 190751.5 806186.8 805517.8 349101.7 146268.4 811278.9 760949.1 127106.5 88662.2 96075.23 133549.1 151502.3 244342
N-Acetylglutamine 164672.9 76775 218935.9 332631.1 78472.49 57073.21 119367 128082.5 122503.7 123828.3 205973.8 186991.9 137528.1 509131.5 645325.9 171916.9 362767.9 776686.7 140809 110557.8 92660.69 132153.8 179943.3 160187.8
N-Acetylornithine 120529.2 96024.38 65158.83 66327.23 34007.52 30760.56 62863.85 128687.6 41271.91 56691.84 45864.17 84717.45 174576.5 46230.36 24782.14 27244.66 90578.09 56064.33 26764.48 24550.52 17854.46 21497.03 23419.35 25610.29
N-Acetylputrescine 155998.4 134436.9 608049.3 289550.6 114691.1 718908.3 169227.4 71366.31 69936.7 103307.5 295518.3 180194 100019.9 188570.9 167897.3 60722.84 163145.5 188097.8 137845.5 53087.11 67385.88 62490.49 66391.06 120015.3
N-acetyltryptophan 274494.3 272412.5 419788.4 376332.2 423567.9 372846 417425.2 400812.8 234003.3 557798.1 339058.8 482473.2 236083.8 243959.3 128911.1 145198.4 258952.2 239561.4 200572.2 141603.9 210748.1 329616.5 184984.3 308820.2
N-Formyl-L-methionine 170809.8 195648.6 147858.7 117543 141269.4 139560.6 157425.3 182602.3 198534.6 288065.9 206990.4 165990 87068.95 88105.06 139335.4 161951.8 118954.8 103528.9 138090.6 78137.17 158597.5 198838.1 109836.7 141150.4
N6-Acetyl-L-lysine 1079801 640939.7 956147.1 2271622 798930.3 911505.7 748671.6 672994.1 738504 829159.9 987846.1 769119.4 1482410 3126816 2372143 744807.9 1079808 3880760 608512.1 465452.1 518015.2 585590.8 643825.3 885867.1
N6,N6,N6-Trimethyl-L-lysine 2289937 1804923 3053862 3439945 2793497 1618475 2348269 3277881 2374383 9635639 14643800 2467345 2471243 1759572 1778108 1400648 2302602 3217784 2175997 2052958 2080487 2286076 1346825 2738776
NAD 602776.6 117094.2 1055253 4247200 202971.4 0 212813.3 41300.85 103079.9 115505.6 0 260571.1 995118.7 642932.6 807229.3 0 2214427 1458374 157982.3 0 47633.43 93916.96 109707.1 233619.2
NADP 21859.4 0 13610.73 116119.3 5905.799 0 3144.506 0 7969.224 0 0 7625.183 16119.38 6877.47 15536.78 0 31424.25 17093.94 9119.722 0 0 6721.374 2272.639 7456.388
Niacinamide 5057304 3723728 30116240 9505132 2712887 970043.8 6289601 1625630 1357817 3737608 2851508 3995473 10149490 15671120 14500940 778718.8 16312170 23385460 2637935 1190562 1179633 2075264 2076750 3441679
Nicotinamide riboside 110157.1 46020.12 102772.9 116837.4 45937.23 28456.44 46465.71 42570.54 31392.87 50503.95 64079.91 40746.08 94498.27 68756.72 74517.51 22248.91 99015.05 118113.3 24263.63 17295.94 26285.5 29266.57 27358.61 34951.09
O-Phosphoethanolamine 907985.6 124616.3 425387.8 1209714 144155.7 44978.47 286182 219491.4 182036.5 623600.4 567502.9 243312.7 1051883 208492.5 422711.7 144560.9 823211.6 652762.4 135194.3 91249.72 146390.4 197227.7 116702.7 231207.2
Ornithine 6171488 4326309 5139327 4958227 6888476 4987838 7176144 8304381 6170125 11821400 11822230 7905361 8729633 7773901 6466412 5709014 11769500 9796771 13209820 8574357 7611134 10522330 8970955 10163560
Orotic acid 2760213 1378876 1719623 1365284 1963341 2195939 1964528 1599282 3195595 2837377 2923870 3187697 1860926 1951378 2121715 2508278 3637195 1685015 2112505 2761661 1220107 1452813 2435696 1521264
Oxidized glutathione 4384283 451599.2 4341537 11578880 699750.8 21842.82 1215558 358438.1 374602.8 1163077 560914.4 1157228 6804455 1471731 3060931 55681.56 6919613 2166087 738269.5 23479.49 375036 482066.5 597341.9 1066781
Oxoglutaric acid 18973870 21365790 27011500 18245480 26984220 26195820 34270320 27545660 27552510 32725440 27229180 39824290 11794210 16546610 16894970 26048620 11407340 13690730 24731350 17690240 18068830 25799200 19857710 24734700
Palmitic acid 657046.1 628397.6 768221.2 536200 615327.2 1195687 926729.1 2335581 6059092 528777.8 552522.6 1012786 547567.8 514900.2 1202171 667385.8 1248452 782987.8 791000.8 621379.5 558237.8 1365998 1457650 553993.8
Pantothenic acid 1383994 1168247 1657126 1485132 1113220 786766.4 2296300 1931858 2017428 2925399 1413528 966739.6 1679568 1975721 934840.6 369150.6 1873791 1831230 1268828 301420.1 1144728 1525551 438012.8 1595941
Phosphocreatine 185587.4 125776.1 102260.2 176339.6 272985.3 109156.6 430079 249320.7 361543.4 104578.8 51190.18 328845.1 225139.5 100180.7 220925.6 215010.3 92804.54 112682.2 199806.5 177779.2 252354.9 295454.9 291371.8 287129.6
Phosphoenolpyruvic acid 161366.7 154243.2 212608.3 517813.6 545018.8 76431.03 452622.2 685900.1 701720.8 6336531 6079537 501852.9 431434.1 90377.95 332207.9 619036.6 428305.8 714116.8 469183.2 876884.6 525954.5 781837.1 198835.8 1473911
Phosphorylcholine 1651976 274493.8 4485915 11917190 1210568 730141.2 1008006 199804.3 201472.8 853842.4 781190.9 1517155 5605732 23542340 29020010 198171.3 34667940 32477330 661142.6 76121.78 146827.1 555485.6 1374173 2677883
Propionylcarnitine 2600008 1980039 6623931 4792992 3848825 2200095 3892523 2850669 3522687 6051385 4764132 5855286 8739124 9802675 7491093 2201182 21058380 9468862 2008110 1266018 1935645 2269154 1705491 3743853
Pyroglutamic acid 5701689 4180185 5870383 5748400 5979660 4445970 9216716 10739350 7255454 26702790 26825500 9502357 5888305 4799413 4901288 5740194 8222220 7320795 6935187 8414335 6836718 6386917 4473006 7462746
Pyruvic acid 3887049 3364882 4586184 3525334 5140678 3210851 7054632 5809561 5169381 7655020 6337083 5036160 4665604 3955079 3847267 4880434 3965922 4101477 5353183 4137032 3479022 5286799 4798038 4980692
Riboflavin 20011.47 10806.92 32463.46 27530.38 16173.56 11182.84 21348.57 18188.37 16690.94 41657.05 34098.91 17856.1 17660.06 16810.35 16400.85 11870.26 20388.39 27238.2 8974.157 8613.909 9643.743 14277.92 9810.352 14678.94
S-Adenosylhomocysteine 2290392 340843 1082057 2025070 143565.7 13703.13 483278.4 262594.8 79718.66 171335.3 95368.44 135066.3 1016261 919535.8 413643.9 24958.61 1399584 1895151 170437.1 24192.81 64760.18 69425.53 100969.1 195544.6
S-Adenosylmethionine 167783.8 45436.34 98908.09 118557.5 85016.57 32750.81 96321.93 130242 56725.09 239369.4 293546.7 94257.7 262524.9 155722.8 352812.7 37225.82 348340.3 126807.5 76337.34 40106.66 80918.66 137256.3 128800.2 149447.4
Succinic acid 17738080 10642630 26202430 18852210 14931320 9298372 24095500 9877687 10551750 31973540 24759830 14149400 18278560 33651940 20552170 6496551 56469670 27232210 7125858 4305734 7081666 9412140 6042877 15690300
Taurine 70416110 46325550 97557890 131403500 59396860 47783710 61830170 50562530 58906240 41346090 61676200 74002750 115037500 91753350 100306000 53925670 109709900 132165800 60134560 47060620 57680950 64166790 58575760 71170100
Thiamine 966275.9 776521.8 1916887 1044367 928383.1 468497.3 934525.4 591181.8 417291.2 772099.4 417581.3 543596.8 1172861 1929969 1651865 333921.9 1454170 1620165 366588 247735.8 316402.8 397490.3 480927.3 527768.9
Thiamine monophosphate 58656.07 13084.13 106443.2 113816.2 16167.47 0 39220.38 13568.77 13791.53 33860.25 14137.8 28703.17 131528.2 73788.56 58538.69 13747.42 148704 139786.1 0 8431.907 0 8000.357 0 19992.59
Thymidine 241388.4 192660.3 227387.3 139782.3 173751.1 302931.7 184886.8 243298.3 259232.8 278495.3 298662.5 234684.2 177585.9 169755.3 127300.1 164872.8 166889.3 130488.5 179396.5 131247.9 180254.1 181105.4 134750.8 171198
Uracil 1257076 451406.2 581919.9 508234.6 472906.4 405603.2 672349.3 509572.8 448674.7 909810.6 1014287 507803.1 515000.1 458872.4 369347.9 351279.8 430233 561017.4 434616.7 311136.8 387063.3 428647.8 349026.3 566690
Ureidopropionic acid 562994.9 277998.5 977733 586023 711345.1 599361.1 714431.8 766493 872879.8 1077401 705047.9 523348.9 1947825 714971.6 341745.3 356178.5 1311457 1113998 1394736 457098.4 888305.8 1217147 968254 1163553
Ureidosuccinic acid 524194.3 208391.1 288608.5 177447.5 469018.3 410438.6 519287.6 496116.6 522132.2 591430.7 666241.1 510075.9 322571.5 191654.2 216781.4 307743 270612.1 279807.6 383332.9 446608.3 384866.7 369912.9 340236 391764.3
Uric acid 21921180 24538530 31783500 36350380 25466070 29308700 40086780 35351390 35238100 13966130 30358510 36864540 29941330 27159960 30188650 29093480 34417990 34477320 29680770 33431480 34436440 33202500 24595670 31472550
Uridine 3442969 1288676 7646670 6947714 1735201 1090184 2253263 1595068 1353315 2927705 2409392 2460350 6873031 12934250 7017730 701132.2 9961497 14887170 1619597 1081637 1294498 1515965 1517271 3010930
Uridine 5'-monophosphate 486786.4 94246.37 1363665 3106613 161892.4 7338.049 191195 21824.47 57577.9 109100.1 61555.63 248853.4 1289656 1030144 1121313 138608.4 1997988 2419821 167020.9 0 24194.62 44740.02 124981.3 290464.6
Uridine diphosphate-N-acetylglucosamine 1105200 120310 1122775 5612644 119960.3 0 226912.4 50763.18 56462.57 74591.75 25697.16 190225 2071303 697375.2 910589.1 0 2442212 2636486 138360.1 0 48521.82 45813.79 98187.32 214368.4
Uridine diphosphate glucose 595747.3 38662.52 465623.7 2343368 31147.78 0 86508.87 40953.22 41806.05 44931.15 33680.86 65069.66 936699.1 93423.18 217831.7 0 231338.3 427081.7 81176.8 0 35316.29 13793.98 40761.09 67828.24
Uridine diphosphate glucuronic acid 41807.34 0 15549.96 71008.06 0 0 11488.43 0 0 0 0 0 17913.08 0 0 0 37340.73 10789.92 6103.098 0 0 6251.295 0 0
Urocanic acid 2804982 4285748 6443278 10334320 10853060 2002747 21707940 33261490 11535060 71012760 86725380 18327780 5489204 1829907 3951601 8139526 3711237 8047717 3990517 11399470 11750570 7836400 1719036 13045150
Xanthine 6485199 4428279 16448260 14277320 2115579 4608035 4453429 10957040 637849.5 18800720 12423620 5098006 15762320 12472700 12137420 2429887 17300090 18323170 1859039 81733.9 681605.4 750453.7 2446380 2771853
3-Hydroxydodecanedioic acid;Dibutyl malate 132522638.9 120460996.2 55839944.46 41539897.64 43762424.48 37592449.39 38698718.09 44957396.39 38307905.46 53696304.12 28964879.48 27571922.28 38793003.48 61651356.06 20468023.94 29183847.16 35623163.2 33327794.78 10989170.9 3964602.137 30520005.46 17607838 3268149.173 17354488.34
1-(Hydroxymethyl)-5,5-dimethyl-2,4-imidazolidinedione 49670696.13 35200172.7 47342300.74 50585230.81 50492216.78 47571556.73 55355399.22 64297058.13 50178387.83 92016575.34 43085513.06 54848044.52 54344220.71 43276015 38562598.54 35290154.72 55803370.89 46392077.09 37035257.16 31614130.51 31480979.09 35074917.67 38367743.57 36144209.41
D-glycero-L-galacto-Octulose 22835247.79 21161309.71 52605463.05 43830855.59 23665559.15 23674779.99 35681114.37 32422610.89 33048333.15 55087598.02 30382086.94 32781939.02 35186019.79 46175150.27 45735225.79 23284709.99 46706585.18 55441017.06 29658175.26 28904073.65 32832394.8 34702284.28 38680640.92 34880097.22
1,2,3-Propanetricarboxylic acid;D-Glucurono-6,3-lactone 2688726.064 395233.5371 1048846.526 4728903.986 84917.00144 54944.36822 128340.0087 10870.26099 9949.324846 13904.12196 13216.52201 3283.69229 1735818.815 12867220.97 8226715.058 10355.38632 33416067.63 16332542.66 559376.9937 10910.99972 325254.5162 13737.38655 1212052.611 15055.96431
N-Acetylneuraminic acid;N-Acetyl-a-neuraminic acid 5339700.699 1557064.516 11519026.96 9604723.197 1392308.13 159314.292 3450924.626 503280.9863 566352.3086 963501.2003 694784.0533 2248153.537 22438304.7 4901170.441 4484427.143 544677.34 30887158.25 11468941.38 753067.0557 181070.8139 514002.4943 747088.1923 544829.2823 1411578.433
5-Butyltetrahydro-2-oxo-3-furancarboxylic acid;5-(2-Methylpropyl)tetrahydro-2-oxo-3-furancarboxylic acid 22611039.77 25265451.15 16544977.09 12473328.05 14268983.57 13026538.83 14537157.05 13227312.95 13871912.38 14593872.85 20605432.41 10035135.53 11733927.21 18678261.37 19895989 19711694.84 12831772.23 9747144.452 10045685.74 12999440.74 11002823.39 9628634.423 9762933.299 12341209.86
cis-Acetylacrylate;Norfuraneol 8468273.322 8384278.432 19240442.78 15233750.56 9386539.14 8647232.326 12930306.16 11136921.91 11848498.02 17973265.41 10950597.83 10864300.66 13218959.87 16221662.6 17139788.79 9352650.909 16870209.59 20758670.75 11190353.4 9866228.618 11092926.32 12904924.59 10712631.16 11303472.85
2-hydroxymexiletine;p-hydroxymexiletine 12256203.75 18082100.77 13717510.5 15899885.84 16379427.84 16397954.18 13468695.78 12355611.77 10063033.72 13671991.65 13739546.37 10768253.4 12428133.17 11937338.57 10069532.54 16225796.73 15001159.73 13405635.95 8723692.273 12515119.07 9720388.531 8466068.794 11794379.83 11903542.44
5-Butyltetrahydro-2-oxo-3-furancarboxylic acid;5-(2-Methylpropyl)tetrahydro-2-oxo-3-furancarboxylic acid.2 17100759.81 17019955.58 6890107.435 5887202.973 6340331.201 5807259.216 4531912.199 4691733.232 5023639.645 5239511.69 9255756.319 3837703.835 4220480.778 9979276.072 16185285.07 16318987 4976271.878 3656379.458 3522991.362 5148467.61 3861203.739 2940719.251 3923255.566 3773679.753
Muramic acid;N-(1-Deoxy-1-fructosyl)alanine 759120.2246 1484061.861 4776019.261 3627824.914 1909263.521 605291.576 1550349.243 1113875.095 928572.8239 727806.6022 483606.1431 1046221.517 4128808.566 6074616.402 4450039.565 1332038.981 12103570.62 4874705.487 591801.8555 520068.8133 446904.3942 666805.0241 894451.1228 1176503.727
D-Ornithine 4674462.791 2720784.721 3611022.73 3663954.053 5146296.56 3016366.36 5267328.234 6428174.554 4369177.583 9434617.53 8983213.737 6013251.856 6769785.439 5993314.889 4717292.346 4155856.03 7732277.566 8139667.774 10226764.34 6989667.594 5638413.703 8120760.49 6117879.986 7331648.382
cis-Acetylacrylate;Norfuraneol.2 3248369.145 3449742.496 8443466.391 7621200.19 3744164.734 3636469.964 5599900.142 5316394.604 5239626.576 7767942.455 4657777.331 5342336.601 5167486.074 7428771.111 6746527.917 3600825.258 7128210.797 8261338.322 4684513.875 4551566.24 4506879.911 5687528.019 4843577.98 4687143.183
1-Methylhistidine 5726708.394 5189099.669 7517996.911 5320578.179 4859240.44 5527877.164 5590868.517 6643366.805 4817401.736 6831869.078 7434970.534 5957178.569 5248129.141 6867897.026 5468343.926 5554817.945 6599894.545 4582567.219 4329626.209 4783452.515 2923400.518 3967961.903 5531596.736 4450425.672
1-[(5-Amino-5-carboxypentyl)amino]-1-deoxyfructose 2557267.614 2970775.449 2937369.301 1955958.14 6838607.569 2868211.27 2934093.074 4893334.634 4452290.456 1375257.628 1152156.496 2503432.704 2797271.259 3762787.364 4430776.931 5638622.507 3343615.536 3045208.406 2353891.685 2021144.897 2850768.557 2501808.911 2601986.189 2169649.805
3-Hydroxydodecanedioic acid;Dibutyl malate.2 3086304.316 6392055.11 1440967.864 2253910.732 1232294.132 1997599.905 2009343.715 1583839.844 2356209.06 1052943.899 740183.0703 2074831.056 1080568.357 881281.4089 1450155.354 689236.5338 1257104.524 868599.2185 198626.091 107263.3114 1350959.395 303403.9757 209985.6179 537467.1057
Citraconic acid;Glutaconic acid;Methyl hydrogen fumarate;Itaconic acid;2-Pentendioate;Mesaconic acid;2-Hydroxyglutaric acid lactone;2,5-Dioxopentanoate;Gamma-delta-Dioxovaleric acid 5252784.217 5752043.903 4806676.496 4136723.762 4455443.408 4083024.337 4425571.679 4167014.785 4745518.44 4643195.172 6004333.837 3354742.575 4127977.765 5028146.561 4634158.947 4541181.84 4588439.566 3410861.236 4009933.023 4273927.433 3978550.175 3492650.258 3281556.691 4088124.718
Malondialdehyde;Pyruvaldehyde;Acrylic acid 2535023.299 2637782.546 5143653.577 3951506.78 2997504.602 2403591.645 4020532.451 3306523.945 3614122.43 5294310.041 3169979.963 3739414.44 3999193.549 4988181.017 4683251.163 2793607.576 5003014.299 5817798.165 3574093.367 3371745.871 3274143.352 4254601.662 3283203.573 3652731.073
2-hydroxymexiletine;p-hydroxymexiletine.2 5807215.963 2480793.858 140270.2842 141011.1999 204784.7142 155140.9193 158019.7675 26645.78691 76666.63122 5724256.973 163730.0253 109569.8672 106759.3487 3432483.011 2372424.83 729851.4785 2512124.098 161874.9947 44600.22663 59390.11327 75800.78072 3003434.972 87580.98235 66833.82479
Piperidine 5180227.982 4090687.524 5013488.723 5582916.428 4955454.913 5144284.754 4594887.38 4475755.056 4143435.077 4385662.806 4331577.314 4376364.554 4649428.74 4899900.984 4517631.37 4987796.636 4355479.181 4370802.058 3517134.72 4454063.688 3746915.215 3752653.265 3715281.606 4508902.675
trans-3-Octenedioic acid;cis-4-Octenedioic acid;2-Octenedioic acid;Diethyl fumarate;3-Isopropenylpentanedioic acid;Ethyl 2,4-dioxohexanoate 4964775.179 5211838.134 1420658.41 1213704.056 1326663.921 1280111.495 1244493.165 1292082.184 1474520.117 1272250.122 1918093.858 937517.7695 1095379.85 3962369.978 4708406.228 4307319.713 1259206.652 1017182.967 1329276.812 1564741.866 1195914.107 1017467.206 1141936.606 1352043.943
L-Xylonate;Arabinonic acid;Ribonic acid;L-Lyxonate;2,3,4,5-Tetrahydroxypentanoic acid 1950638.284 843233.0511 2952706.368 3874886.351 1093489.602 920847.5998 1784726.948 1351821.574 1289627.673 2739086.015 2064484.969 1543201.253 3374526.451 2231802.3 2315457.227 881594.2572 5144282.227 3364312.677 1231701.466 869254.3451 1193794.16 1428477.755 983479.7227 1482835.023
p-Chlorobenzene sulfonyl urea 1426775.526 1908011.24 1347455.865 2157483.005 1581838.885 1649979.315 2105441.205 1719221.385 696509.7223 610017.9093 1352420.063 2289461.883 1583347.211 1848757.636 1621912.775 2202317.278 1761089.019 1618532.276 1198288.948 1328162.133 2306370.887 1329287.304 1554140.24 2037466.301
L-Xylonate;Arabinonic acid;Ribonic acid;L-Lyxonate;2,3,4,5-Tetrahydroxypentanoic acid.2 2037255.578 1276772.076 3038943.448 3542779.538 755972.181 571008.2318 2004431.361 1508291.29 838016.7305 841687.6839 668166.7862 1114027.388 3188341.293 2485212.903 2469939.325 401206.7417 4014800.562 2822772.465 1143916.216 726564.1845 885106.1007 983252.033 824738.1203 1112675.394
p-Chlorobenzene sulfonyl urea.5 567351.3486 538320.2213 1037947.237 2440681.891 645120.3158 423564.4212 566382.5591 627494.9838 512904.615 312368.5595 3816916.208 693698.4958 387713.9356 379513.889 479969.0379 461742.0565 1968013.97 2485279.932 211475.5466 412417.135 369723.8041 475166.4783 407065.763 423499.6946
N-Acetyltaurine;Homocysteinesulfinic acid 2144331.821 2017507.705 2851320.643 2083051.081 1708992.519 2557216.492 1754540.701 1628706.984 2305257.917 1411068.476 1667739.918 2596565.717 2875056.014 1895437.024 1720046.37 1169988.255 1794029.221 3362779.098 1872146.76 1408548.262 1726807.481 1996951.682 1407166.42 1538464.492
p-Chlorobenzene sulfonyl urea.4 946873.5355 1801792.667 537230.397 313509.0935 1637767.745 1772018.705 1595516.943 1326676.314 1735841.875 2054978.856 1067928.412 1003526.546 217748.8091 608298.7033 580690.472 1204044.797 146817.9468 323422.08 1623585.809 1396732.39 797834.2433 1697184.73 2311217.478 2391524.521
Casimiroin 2590240.8 2755321.348 3197453.662 2684301.667 2070523.105 2175726.097 2535922.716 2735495.05 2810254.21 3178792.128 1832769.149 2503712.17 2253058.448 3208937.706 2707028.141 2579294.986 3206037.077 3071328.295 2756845.122 2527685.65 2702146.354 2726497.858 2739415.02 2542937.714
Casimiroin.2 2431750.346 2526300.128 3063193.966 2441299.426 2263321.464 2575761.153 2488733.448 2403402.893 2562042.611 2065007.435 1472878.544 1847779.937 2783647.722 3203897.805 2887773.932 2323962.232 2517227.751 2682244.919 2496714.359 2490287.019 2456063.766 2463891.387 2785646.003 2448799.121
D-1-[(3-Carboxypropyl)amino]-1-deoxyfructose 444898.5305 377259.8363 2310413.303 1072329.427 269442.706 36743.26933 726837.5334 54899.65467 47866.85442 271092.3741 142228.6316 453020.2337 2461971.176 1625126.649 871948.5991 58064.09077 3150257.052 2107870.139 126239.273 35200.27992 49600.76025 80515.31384 117308.1061 281242.6961
p-Chlorobenzene sulfonyl urea.3 536345.4099 515062.3253 924340.4409 2230294.666 3034556.946 628307.2132 276300.9531 286350.2897 301220.4512 938602.7851 223285.7761 141474.0961 837964.7308 2148840.242 2323818.004 639830.8448 2051755.43 2512114.731 429372.3786 341979.6702 350592.5937 167456.1227 331879.181 250128.5492
Muramic acid;N-(1-Deoxy-1-fructosyl)alanine.3 344829.476 633584.9609 2998731.884 1756988.992 618589.9526 197442.3073 594937.5534 475899.4786 338367.8051 451971.8297 282423.7453 463346.1951 2151251.734 2188340.518 1480503.815 440053.2319 2675447.963 2159198.715 226309.5377 242903.2173 128507.6031 240531.7703 246439.3687 564786.7045
Malondialdehyde;Pyruvaldehyde;Acrylic acid.2 1039033.553 1132210.747 2371460.299 2636183.657 1371115.608 1437796.523 1802525.155 1660156.699 1731774.043 2592171.51 1617775.733 1523956.019 1615168.614 2019899.324 1927588.136 1038603.7 2297960.303 2820221.296 1375409.15 1324282.007 1357861.986 1737770.591 1366288.051 1520488.513
1-Methylhistidine.2 769046.4923 1054607.546 1335981.983 1102333.307 876070.1773 1126377.806 1472870.873 41581.94053 1645031.65 1809030.297 2696501.57 1515053.741 877958.8623 314398.8735 1317618.651 1786498.086 1144243.202 830675.7542 1241549.962 1777418.949 768374.6318 1435864.653 1921758.79 1315832.797
Citraconic acid;Glutaconic acid;Methyl hydrogen fumarate;Itaconic acid;2-Pentendioate;Mesaconic acid;2-Hydroxyglutaric acid lactone;2,5-Dioxopentanoate;Gamma-delta-Dioxovaleric acid.2 606236.7726 291129.4271 309883.5849 317216.4584 300901.0053 213954.2776 398286.2374 521473.3656 296810.6483 589032.8849 522973.0305 433192.8714 2672573.464 407934.7741 303955.5157 466438.7782 597057.6955 244022.4391 302273.5355 299975.7645 493993.7254 402196.3193 354848.276 443951.8364
D-glycero-L-galacto-Octulose.2 1142086.24 787169.3399 760018.0348 948484.2272 679782.8664 509503.2089 1086645.874 787940.109 972789.6852 1793948.759 2226597.275 862401.6931 1046048.103 637144.0977 834956.4584 404868.0761 715079.9862 729522.8592 841221.8041 632149.8935 833125.263 878736.6958 748345.5771 1079985.492
p-Chlorobenzene sulfonyl urea.2 782889.2363 1140469.243 1177593.261 1519318.553 1489575.562 396802.7177 1392317.9 1044017.097 1566257.868 1025809.144 816246.8137 1038020.368 1378373.768 1034324.905 306402.3348 1013417.909 970064.0199 1462900.853 1757200.275 1198169.61 1362394.894 2215749.32 1424472.619 1613494.046
Leucylproline;Isoleucylproline 424929.3282 482309.5101 645622.5392 656560.217 539298.8697 441404.3614 613223.3775 442822.8734 596581.2947 1247411.143 2025269.37 516786.9571 374978.2981 368395.6264 354251.0608 308489.9746 367082.1581 458052.7443 347210.8853 270844.5028 333512.8262 413544.5239 257207.1436 539833.8475
1-[(5-Amino-5-carboxypentyl)amino]-1-deoxyfructose.2 411659.4831 1380682.908 1000875.301 625925.7484 1893326.547 1095332.715 530404.7681 1310428.206 1108250.253 666442.1597 241296.8245 530067.8727 664814.4373 1265643.018 1184499.445 1152131.668 1102762.834 936814.3343 548233.2352 391042.481 525953.1031 534292.8093 452849.8181 409212.5483
Leucylproline;Isoleucylproline.2 565963.2525 620734.9922 851235.496 828058.9469 768278.9935 584638.8616 830580.9366 626409.4686 794240.0704 1190847.959 1890320.177 701092.9712 487259.5322 521164.4358 462934.327 448701.8468 496397.8549 499722.3023 426076.069 347072.9886 438340.719 569878.0065 373937.4481 661730.223
D-Ornithine.2 861689.2779 664802.6022 733041.4697 622535.9006 1134161.881 1072165.138 1329501.735 1774906.321 1171440.686 1346498.526 1124001.559 1380299.998 858526.7503 765326.5726 635582.3024 696829.6929 882536.2752 687541.1162 667264.3052 696154.7687 654495.1037 777926.5233 852016.7294 688852.0145
1-(Hydroxymethyl)-5,5-dimethyl-2,4-imidazolidinedione.2 344948.0057 64771.15204 1723680.794 1638647.419 94067.74143 42440.27195 278503.9035 36708.15499 35939.75504 63758.65891 2797.77729 164785.4079 991268.3926 550737.8758 654159.9907 34692.87324 1353921.767 1048533.003 30602.15677 30763.79074 37300.30405 39253.53346 38129.99883 80451.51523
N-Acetylneuraminic acid;N-Acetyl-a-neuraminic acid.3 56227.65832 23657.39261 1156651.89 1583947.256 13422.63902 3952.615986 46591.69142 4146.130194 3721.732997 3934.695062 1407.626434 60786.23763 39763.39993 417254.6186 908146.1522 368668.3054 1059407.076 1027180.779 21934.22164 1464.694587 10198.75255 15045.96034 93678.44779 35473.98113
trans-3-Octenedioic acid;cis-4-Octenedioic acid;2-Octenedioic acid;Diethyl fumarate;3-Isopropenylpentanedioic acid;Ethyl 2,4-dioxohexanoate.2 494606.9987 585624.3307 1565131.527 834924.7493 447563.3936 476450.472 652534.0902 233891.4572 276524.589 298396.3917 326885.8835 589903.4104 852085.8849 844761.061 774228.9281 369675.2671 547538.0991 733003.1399 319215.8792 250451.4838 283298.1192 279846.5001 258947.7561 322310.0959
N-Acetyltaurine;Homocysteinesulfinic acid.3 738718.2624 942782.9578 1390131.108 613965.4976 800173.6684 589563.6856 507873.3475 507050.6793 528863.4424 34108.2293 3562.133279 564200.7499 952498.2657 1193255.361 1216394.841 678505.1582 1217525.865 1546112.343 445980.2054 225411.4979 289331.2461 395425.2905 284293.2701 281565.0723
1,2,3-Propanetricarboxylic acid;D-Glucurono-6,3-lactone.2 1544613.909 321221.0255 369471.8914 530035.013 405775.4956 187007.9261 264604.1885 310085.5776 121488.1895 428410.0349 428589.7077 101837.8732 640080.5331 529838.892 764375.9775 1128110.849 516829.9148 820816.2897 113571.2078 278824.0506 136339.316 142471.8867 494833.6298 162542.7895
Piperidine.4 744658.4782 569440.5743 952042.5757 883081.5107 820002.0051 642725.2867 1223247.05 1250145.999 701114.7119 1531159.234 1127435.85 901539.8146 1097715.911 1108977.681 1279386.111 1437554.137 1463959.519 1232029.646 619789.5363 780662.623 678954.8024 596660.0888 1102110.687 692629.903
D-1-[(3-Carboxypropyl)amino]-1-deoxyfructose.3 195644.0632 341764.0354 597252.7298 247147.8021 197153.982 115363.2589 159262.612 68843.42711 67163.57159 56125.03538 18560.49909 130947.5271 862495.1607 325516.0569 302273.8529 86940.20498 1496540.096 446541.58 68446.69191 30460.58697 85061.20616 79188.00137 56317.43565 52067.34581
Allopurinol;Ethyl isopropyl disulfide;1-Pentanesulfenothioic acid;Ethyl propyl disulfide 3284662.516 1321274.968 6305780.54 5212689.963 433138.5392 2567734.908 1842416.123 1165129.636 109506.9525 409606.6329 379012.2768 1038854.033 5571900.54 5578783.815 4428935.643 340890.0347 5564680.232 7052683.638 401843.0312 5750.128049 101556.6847 154435.0851 2369048.058 625408.4757
6-Oxopiperidine-2-carboxylic acid;Trimethadione;Vinylacetylglycine;5-ethyl-5-methyl-2,4-oxazolidinedione 1242047.61 171791.3277 685422.8621 282721.2436 338784.1245 215508.3456 245231.2976 237503.9373 188463.1999 250024.0125 190599.4968 175373.8193 4243815.018 359773.7887 223310.7433 128462.5036 1475646.06 360038.3642 154858.5965 84200.97734 199673.9961 138597.2438 108261.4639 166458.9715
a-L-threo-4-Hex-4-enopyranuronosyl-D-galacturonic acid 337988.9637 278957.7304 769170.27 3969137.594 267543.1328 151942.7089 377975.9481 259829.6773 333338.2262 314778.8656 411801.8183 251761.0207 493107.6823 574010.9384 902824.6141 159504.5191 1208289.429 1498244.481 449155.4064 329220.3975 329542.8088 388279.6097 465690.2953 519809.366
Traumatic acid;5-Heptyltetrahydro-2-oxo-3-furancarboxylic acid 2925828.649 2532503.144 1299622.118 873479.9898 1060753.028 876785.7245 957519.4952 943216.3778 765492.3421 1180412.026 657964.4594 738775.5293 981445.9905 1377464.753 547183.7336 772197.854 801813.6172 767558.0062 283355.8538 154986.7588 607716.7754 355545.991 150285.32 388281.6947
3-(1-Hydroxymethyl-1-propenyl)pentanedioic acid;Diethyl oxalpropionate 1651265.294 1837022.287 1622718.176 1257257.824 1859827.674 1277391.798 2258127.778 1650586.811 1556020.457 1536754.373 2069994.769 1188215.611 1189945.093 1437004.411 1459580.903 1974808.233 1438853.089 1099577.599 1276390.479 1470352.666 1241091.266 1101659.694 1107567.721 1375501.541
Ribitol;D-Xylitol;L-Arabitol;D-Arabitol;L-2-(Hydroxymethyl)-1,2,3,4-butanetetrol 1029368.378 809645.756 1201477.786 914720.4993 1079559.782 904070.109 1538623.082 1482568.872 1585933.787 840199.4482 2137140.374 1724253.186 770806.8047 958041.0477 777736.5562 732438.3208 973358.9649 1123487.214 1301877.274 837085.5425 1080443.442 1441242.941 729036.4633 1390335.82
3-Hydroxysuberic acid;6-(2-Hydroxyethoxy)-6-oxohexanoic acid;Diethyl L-malate 1885685.503 1561981.876 726936.8931 596865.357 715622.7599 595250.7297 648586.1732 584769.5205 692823.8354 644160.3023 728722.3004 417493.2845 606164.3264 1278187.381 1590903.719 1422249.994 658317.8171 565015.971 571518.2603 578424.7762 524881.1264 475379.5121 458176.2544 615910.0613
3-Hydroxysebacic acid;2-Hydroxydecanedioic acid;5-Hydroxysebacate 1771097.557 944018.3495 885798.1872 905126.4588 615382.1355 533480.1985 719843.8761 675057.703 773979.4517 939606.3452 1513750.16 617364.5973 826208.9487 1312555.932 1207333.558 761567.2307 1036089.729 714190.7339 815114.8936 812409.872 584200.482 569367.5998 628312.9882 643236.1594
3-Oxoglutaric acid 446981.4113 42944.91587 78494.83171 85181.84644 10690.80468 5276.307449 222593.0411 49167.12309 48633.88415 172007.1684 73753.538 48041.45854 51638.45534 1720541.026 271057.8069 34517.68848 1584047.141 152761.0455 170547.1816 23468.3659 111347.179 15073.56729 612606.9018 31446.01433
Sulfolithocholylglycine;Sulfoglycolithocholate(2-) 4192.725309 6249.892816 90443.10842 32712.33173 14275.27158 2530.712272 53004.65627 12869.72771 3666.65973 10285.36085 20853.44285 1350133.864 26438.16686 46765.83665 5683.940358 2721.713282 27123.31186 69323.89292 28055.74327 5128.047312 2423.337859 2517.249051 4311.909459 22807.71244
D-1-[(3-Carboxypropyl)amino]-1-deoxyfructose.2 50338.43087 122173.581 462398.4087 335079.8464 62615.08734 16324.27734 111273.1622 19718.53332 17596.41336 31488.71319 32255.61908 84870.38974 1007515.141 427209.4061 266702.1594 18850.11694 1314805.1 718607.7786 29732.56522 14637.1589 39476.10945 36376.98197 19714.48907 55103.62176
trans-Aconitic acid;Dehydroascorbic acid;Dehydroascorbide(1-) 671675.4333 389686.04 853309.3018 534578.7219 558888.1234 491166.0211 705304.1051 771920.2286 796869.4757 1304761.412 1100989.489 871211.1177 566354.9334 503024.5265 446427.2607 489928.2185 706835.3695 576269.9362 696945.4988 495840.3328 687654.9913 778794.3339 498853.1496 824942.9909
3-Hydroxysebacic acid;2-Hydroxydecanedioic acid;5-Hydroxysebacate.3 731621.3741 1196113.634 466832.9771 322101.1064 616245.627 663922.3859 673234.0893 657737.6302 753355.4444 235872.6485 233739.6022 380722.1088 423487.8886 536164.467 582227.4374 814988.8619 436152.6286 340023.3682 730728.5951 931427.4123 692323.2987 634682.8815 578508.747 741599.9979
Alanyl-Glutamic acid;Glutamylalanine;gamma-Glutamylalanine;N-gamma-L-Glutamyl-D-alanine;Hydroxyprolyl-Serine;Serinyl-Hydroxyproline 58773.06861 79222.50349 486054.3534 471070.7222 147717.7838 15015.7706 110443.2741 44910.48725 78038.96084 33608.81479 25284.09003 137817.5605 370626.202 420745.7668 478443.9617 42301.22259 1157800.981 716024.2601 66649.09512 26562.52013 41159.7686 63396.60462 71734.28312 105758.5033
a-L-threo-4-Hex-4-enopyranuronosyl-D-galacturonic acid.2 2521.891421 2331.525081 2745.828894 17451.17544 2041.558403 1951.359143 2089.766677 1844.082907 1997.339404 2022.330119 2048.495582 1994.423529 2815.283664 200478.0834 89180.39975 2061.149551 1118130.285 415490.1369 1892.083484 1767.110576 1788.423485 1936.007661 1737.036062 1920.455257
3-Hydroxysuberic acid;6-(2-Hydroxyethoxy)-6-oxohexanoic acid;Diethyl L-malate.2 1006134.194 1113033.307 566170.0648 388459.6726 509485.8981 526347.495 737787.9498 716205.1241 688519.59 644805.3497 645245.668 443172.1919 475820.0165 968065.9682 564292.5024 510450.006 447200.5121 393786.557 732259.0064 742437.1462 669633.4029 603619.3152 471239.2605 717827.0689
Piperidine.3 498788.7977 418917.7479 695395.3733 684269.1554 664831.7772 601416.351 951395.8608 925983.4181 610567.5173 1107479.763 692269.4081 618181.942 900441.7023 819192.3016 1034022.903 897685.6822 1010518.345 802850.6511 450595.0274 670359.3379 389431.9886 388302.0778 723343.893 445047.1852
trans-Aconitic acid;Dehydroascorbic acid;Dehydroascorbide(1-).2 74144.33172 19570.20756 98054.41919 110798.613 53798.26465 17563.73368 148424.1553 42708.18143 31549.30196 135469.2357 1103168.942 26023.49788 101410.9687 128631.0261 187755.5239 19230.0533 297728.7064 89003.95145 80319.38399 6181.643592 55998.84312 48513.07586 42878.40104 281587.5217
Alanyl-Glutamic acid;Glutamylalanine;gamma-Glutamylalanine;N-gamma-L-Glutamyl-D-alanine;Hydroxyprolyl-Serine;Serinyl-Hydroxyproline.2 561140.0636 359998.8959 808652.0244 638183.5093 637019.167 522218.0519 1037041.826 839680.1965 638558.6764 958132.3247 302007.5128 532460.2173 795418.9861 592628.8484 639402.6048 720097.6702 842522.5667 619100.7943 537867.9761 514406.775 397715.1493 587443.6709 686050.757 537195.5609
Sulfolithocholylglycine;Sulfoglycolithocholate(2-).2 22414.91091 24956.22658 84500.18376 48348.43956 22449.6918 7951.705644 136741.8679 20063.53886 9322.990469 14550.80892 50015.63335 994112.0422 45183.97274 45521.08219 15968.34117 6342.610629 66326.11475 119345.126 25000.74487 6766.235751 6615.426428 4781.749998 8971.119003 32216.71549
3-Oxoglutaric acid.2 253660.1797 240545.3823 484232.6372 253774.3643 523323.3215 299606.2307 972315.0901 599793.0315 455302.7002 321068.1497 202014.5125 820490.0045 108850.4157 174830.0443 212163.2947 465551.3617 131023.5783 135930.6185 216705.4276 170694.2498 215654.1568 345589.6419 194026.089 484306.4305
Traumatic acid;5-Heptyltetrahydro-2-oxo-3-furancarboxylic acid.2 86432.89888 88487.0742 45840.72402 35475.62941 34942.30034 18011.87414 101165.3467 157629.2171 27286.72076 961668.8384 727880.9706 142797.0114 34960.49733 55444.92185 63010.10555 66702.22746 33043.42945 27096.58278 47071.0778 103021.9242 27220.411 32743.27409 23704.0226 36713.85043
Methylimidazoleacetic acid;Imidazolepropionic acid;Pi-Methylimidazoleacetic acid;1,3-Dimethyluracil 640951.8591 490876.1639 760257.6468 791105.0941 782066.6212 672067.4694 904667.4209 613659.0616 600953.5373 560139.8177 439856.6066 523154.9648 702078.1185 684196.9999 357582.56 210887.6977 757071.4487 909994.936 494819.4035 179148.5975 361065.0486 452793.755 228261.5389 561056.4831
L-Homocysteic acid 343754.3485 69326.57084 504625.998 858107.8684 48808.14939 23290.18104 217320.3674 27160.435 19779.45547 39779.0549 65001.20336 138802.0352 424804.8555 266473.684 223580.3541 50635.52941 306870.5212 237396.5006 49703.43965 9814.889951 20119.0169 29859.28768 37642.96133 99445.6259
Methylimidazoleacetic acid;Imidazolepropionic acid;Pi-Methylimidazoleacetic acid;1,3-Dimethyluracil.3 40133.94597 45205.61958 43728.60769 40872.69302 43522.16897 42586.96537 44743.1687 171413.4679 188278.2705 147018.9481 825353.863 345514.155 47896.75674 43438.37923 155396.1212 341028.2522 51431.11852 38458.17489 38810.4422 113282.4191 115082.1032 128958.3319 92628.06894 150305.867
L-Homocysteic acid.2 813247.3817 13625.4369 175002.1042 103417.8903 21970.05094 12629.17841 19286.07293 42646.71051 10781.71727 11953.09909 4403.989451 19398.78505 106032.8562 36708.57244 22516.39102 15314.64345 70248.53788 55885.31028 9870.83588 4102.267435 6642.404723 5477.634611 10766.34488 8978.058972
3-(1-Hydroxymethyl-1-propenyl)pentanedioic acid;Diethyl oxalpropionate.3 789669.641 450871.3876 573555.5278 528845.3141 279585.4764 392561.7818 351680.5321 404481.8682 440814.1878 377427.5327 722301.8095 262203.9965 446629.7807 781763.933 612399.2196 433104.9921 405497.6449 448273.3547 310962.8618 398033.8781 236629.756 218435.0623 240881.382 279338.5005
N-Acetyltaurine;Homocysteinesulfinic acid.2 128818.718 102586.2638 448861.4114 681382.9186 122175.7389 142938.7608 150604.6093 84338.83323 150474.7233 173673.6047 178094.0189 167530.768 653548.7818 459891.4168 392903.1744 81035.28035 309130.2889 747959.9173 125123.4847 50156.55378 124489.6158 94456.03999 41014.882 210087.1481
Allopurinol;Ethyl isopropyl disulfide;1-Pentanesulfenothioic acid;Ethyl propyl disulfide.2 19614.37365 11154.52362 149198.6942 727250.8703 16878.21419 20440.66386 33224.3211 19990.35806 11954.958 7450.68062 105999.1757 43637.1871 120488.054 59321.72532 106568.3967 9180.234809 208932.7074 243703.7443 13309.27293 17443.11408 19381.58608 22205.17171 8988.732614 28951.96079
Ribitol;D-Xylitol;L-Arabitol;D-Arabitol;L-2-(Hydroxymethyl)-1,2,3,4-butanetetrol.2 120547.2581 57934.39592 398969.0321 220499.0558 128427.9164 63465.30376 111045.9477 82689.72967 87488.77018 129031.7519 92061.77016 175749.1069 326728.6408 504411.043 325300.3249 92883.92593 467308.3826 722198.2832 103990.1688 60621.60166 78571.95017 95169.11999 101346.4252 157428.9514
6-Oxopiperidine-2-carboxylic acid;Trimethadione;Vinylacetylglycine;5-ethyl-5-methyl-2,4-oxazolidinedione.2 207567.8283 21187.09112 146436.2149 64207.31569 67171.89996 43081.56036 44418.26648 40090.55962 33973.38183 46295.4787 24796.43325 38353.29221 692913.5981 71808.87269 51285.39125 36703.95488 160184.0996 62537.80355 29980.05349 104194.4319 21274.95989 109786.6769 19836.24031 33156.31318
Methylimidazoleacetic acid;Imidazolepropionic acid;Pi-Methylimidazoleacetic acid;1,3-Dimethyluracil.2 237196.9132 119479.3577 197888.1713 301812.5352 242661.9799 323006.2979 356772.8406 300119.7595 205612.5531 307941.8677 252474.2591 219641.7967 427080.6187 362338.9334 104556.9589 123154.4359 630728.0658 314649.9998 76826.59898 89148.36272 83386.33766 139572.455 90679.42287 269561.5673
3-(1-Hydroxymethyl-1-propenyl)pentanedioic acid;Diethyl oxalpropionate.2 577917.3477 585432.248 445460.7237 366415.9736 396347.0363 354819.3056 461866.1678 412005.8689 447356.7249 426436.2264 575796.7951 262995.5629 320561.3944 474614.6609 439635.4565 41594.18987 386537.5952 294864.8064 371065.3175 431593.241 340310.9345 282056.528 321928.4388 381897.2784
Trifluoroacetic acid 23457654.01 17580986.97 21323252.06 18999403.26 17590252.6 15644889.3 23000605.25 20330202.11 21816499.24 18272606.35 16436866.27 22212511.75 16611098.14 20954512.14 18594938 21608540.36 17404383.98 19503162.8 15160713.89 16523797.27 23732770.02 15552771.26 17632082.96 15589677.96
D-Proline;4-Amino-2-methylenebutanoic acid;Pterolactam;Acetamidopropanal 5500506.333 3211242.295 4291452.475 4288586.148 6060957.002 3585721.867 6159886.352 7345902.607 5079762.59 10951346.92 10305213.83 6909106.499 7792698.431 6913066.905 5433796.144 4996756.268 8973342.546 9465444.707 11889873.67 8081250.672 6691915.629 9591891.365 6829621.636 8497536.3
N-Succinyl-L,L-2,6-diaminopimelate 630064.9351 599532.7757 4808533.841 5220582.906 1602010.872 189326.954 1003161.741 654136.0587 663396.7679 895818.4749 400203.0226 1231086.854 3983614.724 4074647.699 4293993.033 517033.7997 11334743.06 7048405.64 633354.577 237639.1111 332782.2462 737470.533 785206.4666 813274.6076
1-(sn-Glycero-3-phospho)-1D-myo-inositol 684564.4823 119543.8834 932257.099 3199806.403 97184.47075 66268.68834 213768.3497 107913.7947 125844.4041 156185.0498 157072.9379 216464.6688 739669.0722 651176.3834 607462.9509 111611.2461 1207186.172 1532197.608 196881.9486 110696.7635 105088.2381 141903.6442 143581.3227 246035.2095
N-Acetylneuraminic acid;N-Acetyl-a-neuraminic acid.2 122990.5727 71248.00214 245232.8274 250508.8143 97800.88949 42913.64943 249223.859 160265.4324 136459.0402 560837.3819 580032.8975 147129.5761 277709.029 203188.1827 156781.0807 89381.65233 387226.1448 296106.6054 72240.17708 81601.26929 81865.30341 142167.3798 96206.2163 166917.6021
1-(sn-Glycero-3-phospho)-1D-myo-inositol.2 287242.3511 253093.4711 386907.345 355236.5636 285772.2083 297065.6783 288280.4409 217149.6585 309785.7099 102033.5228 114120.291 343831.424 352754.3507 449368.3861 398332.0384 294284.7079 493230.835 390306.8525 375523.9488 234713.5201 239812.9822 293017.4349 247357.2632 181054.1074
Trifluoroacetic acid.2 240809.2004 300269.1925 9652.507999 169167.9628 134049.3673 129707.1631 73389.63687 71899.52138 61489.303 69565.37326 59451.30147 8415.162584 88266.84062 99568.94089 87484.87542 80019.42571 114073.4984 116100.0955 58096.80558 281874.1468 46681.53722 49637.64056 45058.44961 49548.36236
N-Succinyl-L,L-2,6-diaminopimelate.2 16872.0168 267573.623 66887.35739 83064.10279 161595.7064 70401.04253 25901.42785 84275.87329 89395.65205 16505.89882 10055.56696 111191.3968 128753.1606 85243.48668 340525.6094 62928.75036 212605.5987 123386.2871 87446.86847 49516.93511 56915.15534 19345.21018 76122.84012 92010.43919
D-Proline;4-Amino-2-methylenebutanoic acid;Pterolactam;Acetamidopropanal.2 26558.08349 22137.21666 29256.89255 27448.29715 30387.57385 26567.85165 45525.09218 229469.0371 55425.97408 297208.0643 43512.91098 51705.67364 37958.85093 52990.3016 78224.94059 17027.87229 89975.09562 38268.01895 31231.15542 29695.68828 25118.43156 4013.382476 38468.66981 37230.24284
Phosphate;Phosphoric acid;Dihydrogen phosphate;Hydrogen phosphate 25670049.8 22200120.6 28304345.9 23192190.19 19339951.34 17944422.88 23631563.11 20470768.12 19412009.1 21353236.11 22245017.5 16103053.4 26290728.94 25878158.94 19372936.15 17540512.66 30895476.97 25666227.01 17152819.38 17783471.4 17658135.56 18305741.79 17467577.29 17824759.9
Threonic acid;Erythronic acid;L-threonic Acid 5056623.102 770772.4824 12600559.78 23662825.03 3295936.229 626061.0246 4708637.746 1327799.755 2210014.979 5885185.264 4185521.106 2864465.43 21346302.82 2080327.373 4628870.139 650967.4809 15826455.43 10132444.92 3535876.05 899098.864 1995299.349 2116726.154 3541054.816 3071333.894
Threonic acid;Erythronic acid;L-threonic Acid.2 5009582.335 1176294.227 4205104.461 15539904.53 148212.4883 503324.9711 209100.9391 693459.2957 153086.9984 1835725.239 1514618.681 9913.140706 689047.1184 2013839.675 5128914.249 475094.6376 7383349.449 3900417.431 171721.0806 73413.84263 71630.67995 141343.8945 172712.5858 1150153.365
Phosphate;Phosphoric acid;Dihydrogen phosphate;Hydrogen phosphate.2 6642762.845 3280638.319 6779561.019 13417069.49 3832926.554 1982325.994 6962882.797 4400222.531 3852508.717 9514259.825 12793124.39 4349089.213 7977171.599 5296431.905 5824861.624 3136931.284 11845362.79 8602026.701 4193075.7 3854150.177 4377098.675 5843509.693 4710495.511 7139000.319
Muramic acid;N-(1-Deoxy-1-fructosyl)alanine.2 1427077.786 1083932.075 4440154.478 6057814.247 787109.8462 122979.381 1452573.111 129874.3046 191306.0206 377931.543 196006.2165 791412.0347 5269103.073 4341668.328 3849287.356 468697.9404 11528058.16 5936370.168 389836.5052 126354.695 169984.6123 271376.2237 514629.3286 854076.4465
N-(1-Deoxy-1-fructosyl)histidine 753165.7544 1663571.034 2837829.326 1999606.396 687737.5801 774623.0435 248178.6127 564827.0536 305119.6193 174624.7331 169408.2712 309002.4812 2302885.614 1398277.767 3350704.563 373277.5154 6204403.861 3640626.277 306953.6815 82566.69284 160801.1079 31756.64312 313413.7852 399320.4287
N-(1-Deoxy-1-fructosyl)histidine.2 277839.4884 134116.3212 743167.5451 2248829.376 391435.6991 49246.15179 335343.1752 254297.9254 275630.2783 315888.1422 179340.1149 375846.8588 2240530.514 2142606.509 1617790.226 347850.4547 5998749.53 2649168.914 248836.8871 48143.29321 100231.0543 218555.9879 248443.7506 547531.12
Hirsutin 320745.7063 465597.0505 1887753.441 1539464.474 739222.0948 198534.3672 678429.5381 475472.1147 391890.5711 375347.0876 278534.3469 447115.9051 1346042.801 2324336.405 1571733.423 596461.3872 5314223.911 2253477.399 247885.9647 225656.4329 182262.8525 279145.1694 361035.6486 534748.1674
Beta-Guanidinopropionic acid 94049.73521 73337.83014 50326.73814 176719.6091 105142.3943 102565.0677 69254.39331 316384.4722 346786.6628 310544.0252 68502.55787 164234.381 179187.9186 152426.9763 126060.4512 117613.4215 98870.90568 109612.1407 47792.05702 166857.6505 76786.63895 816630.4687 83790.51239 155157.8218
Beta-Guanidinopropionic acid.2 61203.07109 35703.61856 54284.4986 88010.8844 52969.49407 46307.39216 67792.81885 315548.4336 67451.90001 80146.3148 159461.2591 86786.34423 181243.2264 42927.48339 72030.06809 59127.01572 56229.78646 56051.06341 45282.75365 40972.34213 34322.15724 45979.19746 87132.58788 676449.1698
Beta-Guanidinopropionic acid.3 15628.52994 10109.17134 15090.72094 32992.3987 13303.59285 17829.42183 16970.79906 23555.90798 17479.08454 32472.1132 165826.6225 16722.38907 22252.16922 12203.89748 14368.42428 16845.80313 130064.4614 15765.44628 28487.47307 10920.12387 17623.90899 19445.47926 8673.772503 16912.71182
Beta-Guanidinopropionic acid.4 8925.008288 5891.017189 6611.788135 10690.68448 7509.542878 10236.56329 9222.393002 9880.501871 7181.955828 16233.72313 18839.71581 7682.478487 8449.120165 5773.568269 9023.221756 6537.014642 18637.78158 8514.716186 9011.032246 7837.36568 6024.941462 146334.5771 6750.564711 137962.7013
3-Hydroxysebacic acid;2-Hydroxydecanedioic acid;5-Hydroxysebacate.2 18951867.85 19545513.05 16813756.44 7521495.739 7959449.055 8235254.122 12238593.63 8749169.778 10304906.67 13452370.68 17750323.78 6672303.822 7784645.877 14043634.81 26171237.75 15354389.95 12865317.81 6935620.115 8445083.711 8861339.362 10239554.08 7399173.745 6884454.786 10261461.83
Hirsutin.2 125303.821 191349.7277 1670749.905 415607.8717 331919.7199 69936.04626 290984.3575 212297.5902 207070.4334 247546.4484 132876.8427 187427.6881 294022.376 1419788.041 646226.7171 207224.1898 988485.7013 431250.832 124480.0303 111338.4221 93092.15593 122989.6774 171401.371 195153.8067
Pyrroline hydroxycarboxylic acid;Pyrrolidonecarboxylic acid;1-Pyrroline-4-hydroxy-2-carboxylate;5-Oxoprolinate;N-Acryloylglycine;dimethadione;(3R,5S)-1-pyrroline-3-hydroxy-5-carboxylic Acid 184617062.9 172451473.6 231205374.9 205216299.7 183071435.4 152773651.4 204022774.6 214883764.8 218898031.5 328895008.7 229502105 245671295.8 227189293.8 205963394.6 270887886.5 155532501.2 267045489.7 272435676.7 178163892.5 156281093.4 163196615.2 165499477.3 164040476.5 158116343.1
Azelaic acid;Nonate;3-Methylsuberic acid;cis- and trans-Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate;2,4-Dimethylpimelic acid;(+/-)-Methyl 5-acetoxyhexanoate;(+/-)-Ethyl 3-acetoxy-2-methylbutyrate;Diethyl methylsuccinate;Diethyl glutarate;Butyl ethyl malonate 303162512.7 276200065.1 91766647.9 83991226.01 93502910.13 95028319.55 98341883.28 97187553.67 113356256.5 112822909 131551432.4 78833504.77 86219694.33 218019788.2 276973165.7 249599368.8 100032041.2 85033279.55 105507486 125951679.5 105300448 93422263.44 87542136.43 104286243.6
Sucrose;D-Maltose;Isomaltose;Alpha-Lactose;Lactulose;Trehalose;DEAE-cellulose;Cellobiose;Melibiose;Turanose;Kojibiose;Maltulose;Epimelibiose;6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-2,3,4,5-tetrol;Allolactose;Galabiose;Fagopyritol A1;Neotrehalose;2-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol;Inulobiose;beta-Lactose;Trehalulose;Glucose-1,3-mannose oligosaccharide;Sakebiose;Glucinol;Mannobiose;3-b-Galactopyranosyl glucose;Galactinol 38316.63822 47854.97805 73939.55748 57888.94432 59869.52542 45533.46745 166145.5196 1276608.26 218747.3285 184874477.8 25126308.46 971130.1895 56332.83609 64722.13394 51965.67371 122925.0365 71606.76983 73557.67445 73390.17659 174207.8627 132270.1638 116701.243 103968.5601 94777.86387
3-O-Feruloylquinic acid;3-O-Caffeoyl-1-O-methylquinic acid;3,4,5-trihydroxy-6-[2-methoxy-4-(3-oxobut-1-en-1-yl)phenoxy]oxane-2-carboxylic acid;3,4,5-trihydroxy-6-[(5-hydroxy-2,2-dimethyl-2H-chromen-6-yl)oxy]oxane-2-carboxylic acid;3,4,5-trihydroxy-6-[(5-hydroxy-2,2-dimethyl-2H-chromen-7-yl)oxy]oxane-2-carboxylic acid;3-O-Caffeoyl-4-O-methylquinic acid;3,4,5-trihydroxy-6-{3-[(5-oxooxolan-2-yl)methyl]phenoxy}oxane-2-carboxylic acid;3,4,5-trihydroxy-6-[(7-hydroxy-2,2-dimethyl-2H-chromen-5-yl)oxy]oxane-2-carboxylic acid;6-({5,5-dimethyl-3,6-dioxatricyclo[5.4.0.0²,â´]undeca-1(11),7,9-trien-11-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-[1-(4-methoxy-1-benzofuran-5-yl)ethoxy]oxane-2-carboxylic acid;3,4,5-trihydroxy-6-[(6-hydroxy-2,2-dimethyl-2H-chromen-5-yl)oxy]oxane-2-carboxylic acid;3,4,5-trihydroxy-6-{[2-(hydroxymethyl)-2-methyl-2H-chromen-5-yl]oxy}oxane-2-carboxylic acid 28925861.65 25267153.78 97802735.45 106515023.1 17629888.31 15777531.81 41789103.05 29149971.67 76772752.85 113142363.9 75731990.1 34050815.54 86864265.71 75644897.39 124276855 52496662.05 122030013.3 121192240.7 52711157.37 45694355.22 20913266.23 41745819.56 47778842.5 37308617.15
Pipecolic acid;D-Pipecolic acid;N-Methyl proline;Vigabatrin;L-trans-4-Methyl-2-pyrrolidinecarboxylic acid;2-Pyrrolidineacetic acid;3-Acetamidobutanal;(2E)-Decenoyl-ACP;1-Piperidine carboxylic acid;D-pipecolate;N4-Acetylaminobutanal 37655472.95 31358661.49 53634073.48 43373789.45 54188716.76 52278030.88 40836358.17 51006243.06 45277873.28 64184228.99 39404999.24 34226122.13 63143068.4 53311384.34 49002659.74 48740131.01 58252548.85 55732620.17 31741014.09 28527807.29 29443429.48 29472951.74 30087403.21 32706809.42
Taurocholic acid;Taurohyocholate;Tauro-b-muricholic acid;Tauroursocholic acid;Taurallocholic acid 613930.7952 530637.8633 4382017.916 938211.4371 979200.7672 103769.9594 4289403.248 705499.6601 395458.5185 688276.91 2120664.853 62594650.17 3318056.894 5077750.752 554414.3959 42102.3969 5249236.714 4152018.697 1970426.96 333556.6262 114708.7985 462605.8071 374313.7952 1522020.648
L-2-Amino-3-(1-pyrazolyl)propanoic acid 57221871.5 17707768.93 38673449.66 47474363.71 23420043.64 31116914.34 33742538.87 34053536.91 15921862.7 30291460.1 24898172.61 56103096.49 43533769.62 45797552.59 23906853.48 29150967.85 50041842.15 45105627.27 45747244.03 22347961.62 42960256.55 17164450.96 28849257.62 24444526.99
3-Hydroxytetradecanedioic acid 52228256.49 40067904.1 7065296.891 2923908.374 3105283.73 2496952.472 1369914.486 1847326.775 1029409.007 4221273.943 851062.8954 1371260.961 2785643.692 6009440.663 511522.4367 598958.9338 1524069.088 1701735.635 216325.2999 116283.8076 735756.3649 366843.1995 103465.674 348958.0522
D-Lactic acid;Hydroxypropionic acid;Glyceraldehyde;Dihydroxyacetone;Methoxyacetic acid;Monoethyl carbonate;2-hydroxypropanoic acid;Dimethyl carbonate 22564668.75 19837591.07 45863826.56 29232153.16 10955288.71 17784667.41 29068369.46 23617098.99 28896398.46 50756917.86 42637635.25 26257084.61 26842479.22 43021340.37 33610340.38 21260064.01 32068495.8 49000245.82 24736505.44 22485107.98 25472295.7 28371623.5 25748895.24 30352998.66
Diethanolamine 11127615.45 7968811.158 21223523.18 19534555.16 8106788.781 10907101.42 10543253.17 7309412.461 7399240.329 7586798.307 7194747.216 9514399.316 15528912.2 6671941.838 48960012.42 8329940.675 9741208.653 9748906.207 6551486.581 4844203.231 5411508.419 5088002.974 5073404.48 11638322.82
D-Lactic acid;Hydroxypropionic acid;Glyceraldehyde;Dihydroxyacetone;Methoxyacetic acid;Monoethyl carbonate;2-hydroxypropanoic acid;Dimethyl carbonate.2 3241060.544 2793198.775 3998949.022 3921690.825 3944986.079 4312320.025 4252393.477 4612515.141 5390477.806 4262252.627 4265159.956 26050756.9 4055543.963 4035291.084 8756410.78 4114612.567 4212738.592 3905721.432 5642373.772 21357243.84 23129666.84 4548359.333 23192810.16 37176350.71
L-2-Amino-3-(1-pyrazolyl)propanoic acid.2 15770716.24 1215358.944 2894008.16 21433092.22 17706603.9 14797995.1 24416416 31379301.1 8845378.067 2256053.868 1240619.639 12139561.5 9208824.431 8550386.589 9704379.056 9670244.681 477290.88 2223467.215 1515836.243 8906932.492 797880.0951 24999142.5 14283503.36 25019198.32
6-Chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamine;Indoleacrylic acid;N-(2,5-Dihydroxyphenyl)pyridinium(1+) 13286150.22 15214794.11 23999704.93 18550437.87 22309639.39 20507689.03 24654243.35 25824999.14 18412056.86 25551796.82 13290551.03 17622228.92 29386031.48 22239209.47 13129888.62 10956096.35 29843886.87 20062114.07 19423297.97 14071887.94 14221450.29 22114516.7 15217297.55 17681681.51
Edetic Acid 17301.62072 5231.524739 6879.117429 161397.8974 5083.849561 4718.499644 5804.201614 4514.282672 4517.440379 20805.17023 11112.30101 26521.73459 11142.37386 6672.804927 6322.828241 28950229.17 9552.696955 8596.993376 4614.488155 3788.808471 4041.667905 4693.257683 3971.324287 4236.386504
DL-2-Aminooctanoic acid;Pregabalin;Methacholine;Propionylcholine 20317145.97 17947852.13 13158209.46 19457483.95 11836261.93 18062244.53 23184677.67 14903498.26 22503205.12 28629883.25 15377474.6 17010099.38 12759321.94 12449604.38 6349582.325 6584423.475 13277190.09 8762889.914 8956988.69 5258759.336 8397022.603 9104130.278 3306639.89 10504446.01
3-Methylglutaconic acid;trans-2-Hexenedioic acid;Dimethyl fumarate;Ethyl hydrogen fumarate;Maleic acid homopolymer;(E)-2-Methylglutaconic acid;3-Hexenedioic acid;3-Hydroxyadipic acid 3,6-lactone 7997417.657 7763199.777 16661417.69 14803482.04 8700065.741 8194880.615 12880146.96 13310029.55 12316925.84 25900971.77 10513702.52 11301821.64 12433774.67 15677186.86 15707932.54 8370282.594 16057918.14 17365871.37 11008957.01 9504666.118 10211038.43 13129435.07 11052955.62 10739540.58
Sulfate 18305883.37 18251786.53 19187607.44 16044989.49 19153393 19558389.71 21819350.87 21616224.81 19546237.24 21554248.32 19940267.81 25875487.18 16981752.36 17899466.73 20649085.89 20971045.33 16828793.58 15796410 21504647.2 20007454.21 19980044.7 20620399.41 19935641.77 20169549.85
Chloramphenicol 3761728.446 3487638.927 4542400.629 3879977.432 4021238.724 3807386.369 4604602.768 4352619.549 4837534.033 4361783.778 4301991.705 4509178.05 3803528.451 4246636.901 3973068.469 4012079.049 3878914.865 3245183.039 4149170.223 4015000.747 3941600.553 4385982.718 3972383.141 4165672.959
Proline betaine;L-2-Amino-3-methylenehexanoic acid;3beta,6beta-Dihydroxynortropane 23654544.59 13593051.3 159117.539 116221.1476 122105.4385 66739.82911 298318.73 155824.5345 170417.7855 296450.6848 297065.0332 453083.697 15918989.25 2972186.937 245531.4541 558306.7575 1667067.999 83837.54914 83797.47258 62000.04542 185680.4866 221616.4251 105367.4718 421557.4843
Citbismine C 6743.841862 5852.988534 7940.46062 9618.699357 6225.459385 5636.101802 6563.557344 6067.611234 6452.595366 23468589.6 740788.2408 7619.136654 9020.698616 8014.476535 8085.645279 5836.668539 9689.657188 10076.35279 6229.615475 5461.418833 5964.603853 6501.884324 6055.494027 6747.798925
2-Hydroxyadipic acid;Levoglucosan;3-Hydroxyadipic acid;3-Methyl-3-hydroxypentanedioate;2-Hydroxy-2-ethylsuccinic acid;2(R)-Hydroxyadipic acid;D-1,5-Anhydrofructose;D-1-Deoxy-erythro-hexo-2,3-diulose;Diethyl dicarbonate 8443735.07 8611559.072 22419433.22 13569861.9 9456510.858 8950182.493 13231064.24 12013155.99 12849004.65 17379919.08 10307105.7 11477270.79 12020438.93 16747610.79 16184673.1 8804871.679 15227628.89 16858031.31 11209680.37 9926771.55 10758703.8 13112463.86 10966569.46 11050880.63
Ketoleucine;3-Methyl-2-oxovaleric acid;2-Methyl-3-ketovaleric acid;4-Acetylbutyrate;Adipate semialdehyde;2-Ketohexanoic acid;Mevalonolactone;Acetoin acetate;Sherry lactone;Ethyl acetoacetate;(4S,6S)-3,4,5,6-Tetrahydro-4-hydroxy-6-methyl-2H-pyran-2-one;Methyl levulinate;5-Ethoxy-4,5-dihydro-2(3H)furanone;3-Oxohexanoic acid 7354424.669 10055178.47 9979955.413 7604751.921 7495351.634 6945011.093 16738772.33 22119427.21 14042198.32 17560752.2 16438795.71 10402294.88 6514695.403 4462799.619 5621209.288 8805175.622 6092450.447 8149610.225 9488435.926 12435438.09 10263029.08 12651261.95 12211849.33 8678220.359
Formiminoglutamic acid 21908052.17 804415.6247 2152889.089 456120.9008 417816.7006 215658.2248 2206554.788 1650071.642 836545.3985 1877817.787 3530078.247 442321.706 360766.0096 478247.9272 267574.7235 317387.3895 3609491.078 3559715.627 9003279.608 3757018.99 3018768.82 5868805.582 1450543.006 5394159.57
Serotonin;Cotinine 20844915.38 10686361.32 18061681.23 4485892.244 12565211.78 12662021.2 8045608.94 9107389.52 10226828.59 7859073.268 2810760.443 9418556.839 14490077.42 14313464.02 10711645.48 9885537.895 9492134.081 7005671.548 4103310.767 6990036.629 5228300.547 6821994.171 7091432.38 6489309.093
Phenol sulphate 4105685.473 3204114.475 14058014.35 14906111.12 15557172.07 7860747.527 19125713.95 15348440.1 20481147.33 20487604.25 12544383.28 20151024.74 15058376.02 8033946.05 9141710.111 9256814.685 14832938.45 7827143.679 11155960.5 5593283.441 10737670.69 12313581.04 7070671.918 11389900.64
Undecanedioic acid;Butyl butyryllactate 20096113.98 18887353.61 4019750.189 3794778.151 4051067.585 4104897.809 4128578.061 4320786.317 5491700.132 5313323.737 6547083.309 3589249.762 3568772.737 15341210.46 19226292.73 17221659.85 4842765.081 3639796.406 4976651.18 5538008.626 4547969.276 3784532.971 3640346.45 4457973.122
Suberic acid;2,4-Dimethyladipic acid;Dimethyl adipate;Diethyl succinate;3-Methylpimelic acid;2-Propylglutaric acid;Ethyladipic acid 18882245.9 17037519.31 5080409.763 4686996.313 4244281.543 4612722.659 5270319.579 5704663.061 7279471.122 4366898.801 6828651.928 4309543.214 3795782.15 13820190.63 16666924.33 13683379.56 5336260.106 4341815.488 5675990.423 6451706.504 5199645.317 5471973.167 4534181.038 5458415.932
Tartaric acid;D-Tartaric acid;3-carboxy-2,3-dihydroxypropanoate 193914.2103 83707.94622 311028.7189 363803.0778 1001188.765 243196.867 8167310.372 4471409.755 1048217.182 18309767.95 14477840.99 2326915.233 279366.1819 3156853.512 1864928.511 2188901.045 1399135.002 1482289.413 327883.6566 1378525.071 840360.1289 447872.0667 1190694.643 1368306.887
Pelargonic acid;Butyl 3-methylbutanoate;Butyl 2-methylbutanoate;Propyl hexanoate;xi-2-Ethylheptanoic acid;Oenanthic ether;Butyl pentanoate;Isoamyl butyrate;Hexyl propionate;2-Methylpropyl 3-methylbutanoate;3-(Hydroxymethyl)-2-octanone;Methyl caprylate;4-Methyloctanoic acid;Isopropyl hexanoate;Octyl formate;1-Hydroxy-3-nonanone;1-Methylbutyl butanoate;Pentyl butanoate;Ethyl 5-methylhexanoate;Heptyl acetate;3-Octyl formate;5-Methylhexyl acetate;3-Heptyl acetate;4-Methyl-2-pentyl-1,3-dioxolane;3-Methylbutyl 2-methylpropanoate 17216568.5 18087421.94 12827102.42 8024456.798 11427890.76 9779247.727 9687494.896 10862169.68 12385260.98 9700868.311 10338836.47 8212254.557 14740828.76 13597047.04 17108978.91 15544228.6 10231307.49 9102797.646 10378339.11 11383011.62 9116197.827 9126092.168 11834124.57 8355249.048
3-Methyl sulfolene 8014184.247 5990992.432 10069309.96 7746918.709 10119300.87 8998365.651 10980999.31 14420314.43 9342485.104 15024228.6 9098793.234 9901912.489 17991240.45 12970838.2 14138217.21 13076887.9 15420074 12740870.85 6234524.119 6995731.037 5460030.183 6235003.332 8642025.259 6255565.381
p-Cresol sulfate;Benzyl sulfate 11119115.32 11936486.83 8802207.582 12216099.85 14327782 8550282.137 13364735.77 10660706.6 12964320.28 12648690.89 12822895.92 10625152.36 5756185.598 10734700.78 5521696.538 6248044.004 16564400.38 10456140.65 9565305.331 4754458.111 10503128.22 11450974.47 5652535.802 12317304.33
(2S)-2-Butanol O-[b-D-Apiofuranosyl-(1->6)-b-D-glucopyranoside] 14757618.85 14605384.41 7850337.848 6986411.424 7272363.123 7096728.91 7418512.418 7269517.052 8417682.563 8332908.345 8147812.276 6462042.744 6222369.872 13469492.59 15691205.02 13939477.82 8221882.792 7131710.292 8006684.77 8479660.705 8145334.742 7691989.889 7058626.948 7256826.123
Malathion;2,8-Di-O-methylellagic acid;2,3-Di-O-methylellagic acid;Blighinone;Inosine 2',3'-cyclic phosphate 14123.86299 17729.31355 13559.6275 184868.8175 6859.703374 15113.84526 9731.640745 6115.160093 5964.976139 6569.44132 6454.193995 177131.9735 20470.87679 16505.08241 30383.60602 15581920.11 24294.29973 28928.0887 6918.243067 10234.14829 5558.155746 11014.97645 5061.928427 11555.59584
Sebacic acid;R-2-Hydroxy-3-methylbutanoic acid 3-Methylbutanoyl;3-Methylazelaic acid;2-Ethylsuberic acid;Heptylmalonic acid;Oxalic acid dibutyl ester;N-lactoyl-Isoeucine 15266999.76 14236651.18 4382553.011 4181188.823 4330506.055 4616481.048 4741711.653 4689017.873 5885660.322 5159477.182 6108175.296 3387904.763 3777351.362 11946924.69 14071794.5 12467775.25 5291749.191 3907124.846 5171713.355 5867628.617 4587657.733 4201071.389 3974414.486 4925951.333
Garcinia acid 4046721.667 380750.2024 6659882.968 13578721.05 1184972.368 363638.287 1816555.723 719553.7081 657312.3038 2858668.869 2051686.297 943248.8941 7590586.892 1737550.777 3103032.312 247867.0944 7981779.663 4733495.111 1241851.139 353967.7931 749845.1661 945390.8303 1104058.025 1594839.204
m-Coumaric acid;4-Hydroxycinnamic acid;Phenylpyruvic acid;Coumaric acid;cis-p-Coumaric acid;3-(2-hydroxyphenyl)prop-2-enoic acid;3-(2,5-dihydroxyphenyl)prop-2-enal;2-Hydroxycinnamic acid;3-(4-hydroxyphenyl)oxirane-2-carbaldehyde;3-phenyloxirane-2-carboxylic acid;3-(3-hydroxyphenyl)prop-2-enoic acid;3-(2,3-dihydroxyphenyl)prop-2-enal;(2E)-3-(3,4-dihydroxyphenyl)prop-2-enal;4-methoxy-1-benzofuran-6-ol;3-(4-hydroxyphenyl)prop-2-enoic acid;3-(2-hydroxyphenyl)oxirane-2-carbaldehyde;Enol-phenylpyruvate;Methyl Phenylglyoxalate;Trans-3-coumarate;Cis-2-coumarate 4925403.038 4252180.307 7079832.675 5680900.705 6113543.288 4580446.081 12370982.37 12917548.69 7793495.724 12418877.89 7375424.816 13576819.79 6866912.527 9992799.785 8244144.827 8784207.32 11554873.52 7273049.335 5645193.325 7323804.507 5270646.698 6980744.671 10525909.54 7045961.023
2-Hydroxyethanesulfonate;Ethyl hydrogen sulfate 6703407.104 6622667.934 9537337.425 8780525.685 5025223.041 4677398.402 8411407.125 8440284.125 8452419.284 12338417.86 11231372.37 6780758.391 5567696.36 8934157.888 7241847.426 3256053.573 6793940.38 11657449.68 7371814.095 4949354.032 6601503.14 8522404.014 5031253.748 10164231.94
Mexiletine;Methylephedrine;3-Ethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;5-Ethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;2,3,4,5,6,7-Hexahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one;trans-4,5-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;7-Ethyl-2,3,4,5,6,7-hexahydrocyclopent[b]azepin-8(1H)-one;3,4-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;Methoxyphenamine 9541462.372 7923280.411 6430444.373 7750010.558 10086203.67 12327926.69 6411866.413 5259537.089 5188740.998 6011545.274 7054505.915 5328130.2 9201738.332 8663714.74 8339684.173 10439238.92 7185788.867 5508199.241 4132875.635 5878862.732 3647017.328 3969762.357 4840962.836 5507295.545
Acetoacetic acid;2-Ketobutyric acid;Acetic anhydride;Succinic acid semialdehyde;(S)-Methylmalonic acid semialdehyde;4-Hydroxycrotonic acid;2-Methyl-3-oxopropanoic acid 5034750.316 4859537.697 11011740.36 9018166.539 5419465.937 5460296.823 7336292.608 6710971.628 7104282.511 10572566.92 6321761.988 6517139.294 7202616.105 9989150.678 9299680.127 5718302.291 9920730.732 11764332.4 6851389.707 5921543.918 6548177.028 7404014.515 6300257.759 7074071.377
S-(Formylmethyl)glutathione 75205.21701 22051.1123 2251965.78 11625066.92 118595.9888 9787.107568 93922.0627 11208.08177 24753.04843 180789.7384 12070.46534 83532.25624 2255744.342 3722847.563 4740917.841 9500.064773 7304683.221 10042414.32 149882.2411 8847.839807 26858.74203 26978.29824 196057.5589 775930.1448
gamma-Glutamylleucine;gamma-Glutamylisoleucine;Isoleucyl-Glutamate;Leucyl-Glutamate;Glutamylleucine;Glutamylisoleucine 192119.8808 301343.3897 1913270.789 5588162.834 282006.3558 35734.34928 500317.4283 70846.55398 170047.207 323280.7465 224907.984 410632.6194 1767630.002 6753343.714 5330978.674 40842.53606 4917105.432 11583036.46 471500.8766 49387.21597 82497.76781 151510.4995 436916.0182 888644.8111
3-Methylglutarylcarnitine;O-Adipoylcarnitine 772330.8701 192623.3577 910352.324 303990.6307 279074.1993 152140.2959 281356.3724 226691.5037 218373.5351 316120.642 241012.7217 497118.9742 10877305.84 944190.4603 497606.0136 86761.10764 1121238.711 2133851.978 234031.9132 76007.88047 431237.1017 200640.0534 145253.1025 286788.7096
Anserine;Homocarnosine;Balenine 792575.2732 842873.8408 1502333.24 2072098.454 1127294.039 811855.3169 1192970.875 848716.8875 1358826.996 4559081.941 10744434.56 1996577.152 972050.8192 947373.2153 1541065.035 1357114.785 891652.2034 1629188.191 605514.4267 1020903.398 631150.1691 781817.9417 1140462.514 1015993.674
Glutaric acid;Methylsuccinic acid;Ethylmalonic acid;(S)-Methylbutanethioic acid;Dimethylmalonic acid;2-Hydroxy-4-oxopentanoic acid;2-Deoxy-L-ribono-1,4-lactone;2-C-Methyl-1,4-erythrono-D-lactone;Monoethyl malonic acid;2-Acetolactate ;(S)-2-Acetolactate 2323241.805 2237538.722 4112724.231 4156544.964 2374134.816 2516738.261 3199803.54 3209509.005 3090493.794 5842965.45 2782244.577 3056718.287 3040172.216 4159530.101 4435123.249 2292674.613 4587794.129 10731698.88 3270635.758 2606101.828 2851514.513 3494592.529 2545481.43 2936684.329
Citraconic acid;Glutaconic acid;Methyl hydrogen fumarate;Itaconic acid;2-Pentendioate;2,5-Dioxopentanoate;Mesaconic acid;2-Hydroxyglutaric acid lactone;Gamma-delta-Dioxovaleric acid 2126192.443 1870380.941 2256438.961 1932351.601 2102654.174 2372165.534 2377077.61 2346742.986 2958953.471 10681985.5 4779713.895 3023931.398 1508441.215 1686784.505 1384385.495 1806483.3 2050325.897 1455243.239 2200914.276 1472077.682 1847769.004 2369239.655 1567546.214 2303914.034
2-Hydroxyadipic acid;Levoglucosan;3-Hydroxyadipic acid;3-Methyl-3-hydroxypentanedioate;2-Hydroxy-2-ethylsuccinic acid;2(R)-Hydroxyadipic acid;D-1-Deoxy-erythro-hexo-2,3-diulose;D-1,5-Anhydrofructose;Diethyl dicarbonate 3159880.523 3337519.393 7416468.589 9931587.927 4010071.184 4191878.09 5998985.919 4794604.637 5506162.487 8422845.737 4813526.969 5626683.285 4811693.037 7000781.337 7132839.694 3590957.868 9951836.294 10119829.22 4743868.18 4274265.587 4713133.164 6345880.002 4600682.127 4734104.212
11,12-Epoxyeicosatrienoic acid;5-HETE;12-HETE;15(S)-HETE;20-Hydroxyeicosatetraenoic acid;13-HETE;11(R)-HETE;8-HETE;9-HETE;16(R)-HETE;Crispane;(ent-2alpha,3beta,15beta)-16-Kaurene-2,3,15-triol;8alpha,13R-Epoxy-14-labden-19-oic acid;12 Hydroxy arachidonic acid;(ent-2alpha,3beta,15beta,16beta)-15,16-Epoxy-2,3-kauranediol;Annoglabasin E;10-HETE;14R,15S-EpETrE;Ucriol;17-HETE;8-hydroxy-5Z,9E,11Z,14Z-eicosatetraenoic acid;11,12-EpETrE;7-HETE;12S-hydroxy-5E,8Z,10Z,14Z-eicosatetraenoic acid;15R-hydroxy-5Z,8Z,11Z,13E-eicosatetraenoic acid;18-Hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid;19(S)-HETE;14,15-Epoxy-5,8,11-eicosatrienoic acid;5,6-Epoxy-8,11,14-eicosatrienoic acid;8,9-Epoxyeicosatrienoic acid;18-Hydroxyarachidonic acid;12,15-Epoxy-13,14-dimethyloctadeca-10,12,14-trienoic acid;12,15-Epoxy-13,14-dimethyloctadeca-12,14,16-trienoic acid;2-Hydroxy-6-tridecylbenzoic acid 69905.39685 136125.4911 663376.7699 266071.2197 664097.7318 462974.7428 1197056.271 3677855.125 10000389.86 1232968.766 1240311.664 2586171.489 164352.4483 327668.2683 735521.7302 1242727.045 452727.0135 581137.4719 980718.3896 1502562.613 453083.0245 2606940.285 812674.4799 1277347.705
8-[(Aminomethyl)sulfanyl]-6-sulfanyloctanoic acid;Fructoseglycine;N-(1-Deoxy-1-fructosyl)glycine 5515621.574 2657289.827 4769887.7 9931934.15 896426.9404 330128.4591 3027645.456 706147.8303 552984.4812 408819.5324 281357.6074 811536.8448 5923194.951 4069404.864 3403428.432 356799.3017 5779074.787 5254647.4 499814.5324 127475.6963 316347.5247 413902.1185 432112.6326 1068764
Caproylcholine 806489.5588 517322.9761 3999994.584 1775594.151 143586.7015 659555.5633 195426.9154 163402.4583 351173.1119 265520.3524 276233.2627 213243.4682 1011263.221 150077.2642 9909260.067 154807.213 1097691.485 1287087.479 223823.4313 155861.1051 169164.2039 153142.5175 264348.092 1445717.565
(S)-Homostachydrine;Tranexamic Acid 9527654.103 5096632.586 39026.21676 41336.43406 23859.41071 16371.7051 95124.32368 7379.405279 7736.351535 28585.39826 92563.67759 199757.3912 3807693.107 845396.3909 68894.1893 148851.9103 399790.8179 33600.98013 26384.77901 18701.82048 14650.02287 30935.48206 16405.35796 91402.39518
Isocitric acid;Diketogulonic acid;2,3-diketogulonate;(1R,2R)-Isocitric acid;2,3-Diketo-L-gulonate;D-Glucaro-1,4-lactone;D-threo-Isocitric acid 4548387.759 4214518.747 5018849.068 3984688.412 5448745.764 2735857.456 7355007.234 5879925.572 5362172.63 7729806.566 6687583.049 5086059.809 6909109.182 7126216.518 8560687.747 4537774.329 7567160.403 9473966.41 7141398.254 2960614.09 5956754.516 7336991.079 6404604.961 8246060.896
Methyl 1-(2-propenylsulfinyl)propyl disulfide;Methyl 1-(1-propenylsulfinyl)propyl disulfide;1-(Methylsulfinyl)propyl 2-propenyl disulfide;1-(Methylsulfinyl)propyl 1-propenyl disulfide 138126.5107 94021.2706 6771234.561 9399931.91 5780685.435 6186404.087 5382836.6 6101512.959 6547185.8 6044547.439 8670262.316 5178886.621 7241890.343 71229.79324 98069.99648 103973.1314 6351312.941 5496903.661 5210085.095 6973264.792 5864072.709 3943054.916 4141862.535 4948152.37
2-Aminobenzoic acid;Trigonelline;p-Aminobenzoic acid;3-Pyridylacetic acid;Salicylamide;Methyl nicotinate;m-Aminobenzoic acid;2-Pyridylacetic acid 4916691.014 2137081.699 1257108.298 1359347.683 268541.2435 103685.1781 619857.6097 194172.116 167525.4779 307899.5389 223181.1096 487245.2234 9021467.555 5160649.629 1746937.264 263216.0447 2472636.752 2644433.754 184087.7243 55311.97581 138948.7808 122453.7501 187742.0443 709451.3758
N-Undecanoylglycine 2072068.021 2534381.352 3013941.826 2475482.467 1519084.55 4138308.623 4826245.855 6138787.4 3254913.272 2078231.534 3496346.832 5437997.865 8880649.044 2448372.839 2040181.115 2281404.606 2736004.985 2194815.619 1982588.011 1465860.13 2296349.953 3222075.499 3268114.226 5272465.661
Trimethylamine N-oxide;1-Amino-propan-2-ol;2-(methylamino)ethan-1-ol;3-aminopropan-1-ol 5371673.508 3679612.827 6957825.815 6995686.325 8557805.042 3343774.642 1918905.924 1276123.749 2258654.242 2370732.412 1627641.969 779299.9058 2971701.323 5680187.456 1050377.014 1546187.12 4172067.464 6851035.617 502206.4829 284350.5595 1051895.073 2173245.845 389886.2164 1272300.068
Glutarylcarnitine 283360.641 156898.6233 1016523.187 1028565.126 319922.3924 71079.39696 245838.6389 154816.9734 124894.7121 193179.5685 178212.5383 443760.6495 8413631.672 786325.8843 793030.2141 80629.40959 3333813.467 1620163.2 167426.5002 68074.5253 283273.9206 182386.4501 178403.4131 224720.083
Linoleic acid;Dihomolinoleic acid;9E,11E-Octadecadienoic acid;Ethyl 2E,4Z-hexadecadienoate;Mangiferic acid;5-Octadecynoic acid;Linalyl caprylate;Linoelaidic acid;6Z,9Z-octadecadienoic acid;Octadecadienoate;Bovinic acid;10E,12Z-Octadecadienoic acid 25523.77717 57207.49835 171745.9014 22400.41719 156282.7067 433303.1591 494961.0689 2251830.281 8350531.382 83033.6697 371341.2724 939031.4007 76342.88033 76498.27545 345324.0377 166269.4841 343778.1204 181596.4263 351990.5677 255801.9914 68731.47722 906357.5783 774539.4852 173903.6176
Xanthosine 192171.8329 344175.6424 4185785.729 7800462.919 486098.6816 171165.9365 536078.5195 124034.06 324056.7429 825935.2273 696824.6423 668754.5182 3339656.423 4128851.351 4183931.542 74916.00544 5348091.372 8009019.467 697175.7748 104057.7201 172152.8625 210138.1525 491065.5694 949744.9787
2,4-Diamino-6-nitrotoluene;(S)-Spinacine 4422839.5 584904.8588 5797126.889 7533033.252 547505.5799 83208.38341 2136852.885 168572.3463 98285.14192 199100.4973 87607.46722 757447.4031 5834972.9 3758698.142 2429713.851 601566.74 7566660.849 3753700.833 117306.0497 54889.42242 88562.96018 158421.3542 231248.6853 499790.1751
3-Methoxytyramine;4-Methoxytyramine;Phenylephrine;p-Synephrine;Metaraminol;Ethinamate;2-(2-Furanyl)-3-piperidinol;Norpandamarilactonine A;Epinine;4-Hydroxynorephedrine;a-Methyldopamine;D-synephrine;1-(3-Pyridinyl)-1,4-butanediol 5703966.494 4601366.227 5896709.957 5752553.74 6250701.61 7519229.286 4537110.478 4688947.148 3562188.01 3714301.483 3309845.131 4281441.295 5621389.26 4830367.12 4303567.828 5945860.147 4702332.885 3857593.06 2988419.283 5573189.137 3211210.586 3469998.833 4317023.631 3927091.011
2-Furoic acid;3-Furoic acid;3-Hydroxy-2H-pyran-2-one;2,3-Dihydroxy-2,4-cyclopentadien-1-one 1752940.902 1453864.77 2001703.932 1691729.598 1774453.831 1727943.738 2421162.857 2091679.899 2700149.388 7419657.607 2914479.545 2372086.157 1556500.243 1145635.951 1348499.776 1462584.917 1659550.417 1395490.359 2005198.91 1357032.792 1644963.528 2147181.561 1550176.689 2153046.272
I(-) 739305.3839 735269.8637 2018813.1 766256.5175 1760573.738 300749.5964 3933327.618 1216165.12 402121.5898 325344.1334 934879.8512 7352356.173 712255.6855 1566192.273 563800.3843 344710.2886 457933.2001 665582.5645 368381.0417 374899.3987 398295.9687 290425.8112 977988.8075 832129.8299
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,8-trimethoxy-4H-chromen-4-one;2-(2,3-dihydroxy-4-methoxyphenyl)-5-hydroxy-3,6,7-trimethoxy-4H-chromen-4-one;3,4,5-trihydroxy-6-[2-(phenoxycarbonyl)phenoxy]oxane-2-carboxylic acid;2-(3,4-dimethoxyphenyl)-5,6,8-trihydroxy-3,7-dimethoxy-4H-chromen-4-one;2-(2,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-3,6,7-trimethoxy-4H-chromen-4-one;6-({3-[(1E)-buta-1,3-dien-1-yl]-1-oxo-1H-isochromen-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid;5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,8-trimethoxy-4H-chromen-4-one 2477819.558 2477722.38 6003899.999 4443371.279 2742515.218 2653463.281 4676767.036 3908229.818 3886046.555 5227129.703 2845279.058 3385885.784 5084855.045 6541790.894 6839388.323 3237056.521 6954252.627 5709544.592 3156260.175 2776685.176 2861629.711 3795173.709 3031582.919 3013711.886
Ophthalmic acid 2667843.348 322898.4285 1985200.384 364433.0676 265204.4945 30502.72564 538112.2517 201946.8488 40894.53337 486297.1529 112289.3243 331245.0045 3073075.725 479733.3938 686809.8739 30089.43467 6772380.341 1124648.621 112287.3322 20124.36247 127795.8625 181240.847 89270.9469 120153.5151
D-Xylose;L-Arabinose;D-Xylulose;D-Arabinose;L-Ribulose;L-Threo-2-pentulose;Arabinofuranose;2-Deoxyribonic acid;Aldehydo-D-xylose;3-hydroxy-2,2-bis(hydroxymethyl)propanoic acid;2-Deoxypentonic acid;beta-Arabinose;D-Apiose 3262615.569 1779193.896 6565730.068 5294722.623 3332520.437 2341110.731 4252810.099 2843245.301 5461344.118 4657828.322 3831198.32 3781896.852 4331293.474 5727323.771 4943475.174 2759679.605 5843672.495 6242619.606 3958822.359 2902072.929 4985172.07 4083505.909 3638170.236 2560727.607
3-Methoxytyramine;4-Methoxytyramine;Phenylephrine;p-Synephrine;Metaraminol;Ethinamate;Epinine;2-(2-Furanyl)-3-piperidinol;Norpandamarilactonine A;D-synephrine;1-(3-Pyridinyl)-1,4-butanediol;a-Methyldopamine;4-Hydroxynorephedrine 4911801.936 4656996.376 5182720.831 4576233.941 5288894.899 6322925.192 4382975.896 4569607.347 4111063.915 3551711.001 4958634.354 4058158.668 4821323.704 4651266.56 5143735.856 5897245.306 3908599.035 3490709.046 3016047.908 3852604.417 2828291.073 3471025.85 3746165.702 4690040.794
N-(1-Deoxy-1-fructosyl)threonine 897452.3296 706785.292 3765514.216 3210757.992 3061056.465 703520.9937 1688066.915 1381143.208 1209021.053 892846.0375 518111.7982 736170.9782 2559378.358 3520266.453 3258702.352 1853385.082 6289960.301 3697234.464 460248.1079 279021.5874 498845.9876 560607.2267 455185.403 838313.1884
Cinnamyl benzoate;Benzyl cinnamate;4'-Methoxychalcone;15(R)-hydroperoxy-EPE 423429.0591 275073.1131 6196148.036 1323001.237 347968.8831 1572027.803 1533811.934 65237.9245 18752.87998 326742.8955 609549.1598 2158519.389 172399.1612 1600118.138 424651.6956 12187.4839 826065.3502 2316648.929 351352.7005 7710.112252 17289.98254 32552.13748 86442.35648 574904.9896
Hydroxybutyrylcarnitine;(R)-3-hydroxybutyrylcarnitine 746457.9797 810732.2982 4010080.071 1300690.867 1149651.313 396183.0609 1403919.403 380237.5239 585328.9088 1185311.626 1398292.096 1771068.201 6079489.766 1226537.143 2170501.748 433007.8365 2977827.335 4398675.607 683096.3129 304247.0092 633865.8691 680788.1662 432874.3455 943458.122
2,4,6-Triethyl-1,3,5-trioxane;(±)-3-Hydroxynonanoic acid 6017490.732 5672836.739 2573609.383 3503822.645 2779849.804 2500984.371 2592503.825 3938642.733 3221131.301 3368506.819 4474642.237 2530334.617 2625096.948 4103040.048 5648000.233 4889394.193 2314477.883 2238685.279 4118173.442 4423325.544 2625700.817 2431554.686 1915949.909 3782101.528
Pyrroline hydroxycarboxylic acid;Pyrrolidonecarboxylic acid;N-Acryloylglycine;1-Pyrroline-4-hydroxy-2-carboxylate;5-Oxoprolinate;(3R,5S)-1-pyrroline-3-hydroxy-5-carboxylic Acid;dimethadione 3385918.384 1127516.573 3741043.716 2072005.82 1043194.857 803222.6631 1444947.662 1044377.469 1128160.502 2308266.763 2233271.303 1570704.078 4982636.654 1365308.628 2384927.598 953919.6619 5868247.034 3210338.73 824429.7874 853728.0352 704084.539 897309.2139 975821.0382 1189118.15
alpha-Ketoisovaleric acid;Levulinic acid;2-Methylacetoacetic acid;2-Oxovaleric acid;(2E)-4-hydroxy-3-methylbut-2-enoic acid;4-hydroxy-3-methylbut-2-enoic acid;2-(hydroxymethyl)but-2-enoic acid;(2Z)-2-(hydroxymethyl)but-2-enoic acid;Glutarate semialdehyde;Ethyl pyruvate;Methylacetoacetic acid;Acetoxyacetone;2,3-dimethyloxirane-2-carboxylic acid;dimethyloxirane-2-carboxylic acid;4-hydroxy-2-methylbut-2-enoic acid;3-keto-2-Methylbutyrate 3458855.918 3817963.938 3897851.833 2719191.943 3105570.985 3000876.912 5862980.063 5662320.2 4104478.505 3759086.308 3994494.042 4719310.959 2406183.275 2053999.361 2518863.571 3439616.344 2014489.984 3020038.748 3552236.625 3804444.815 3470337.575 4040689.442 3546010.967 2430233.158
1-Isothiocyanato-7-(methylsulfinyl)heptane 3304574.714 1126760.151 2817579.38 5778280.481 523006.8733 90947.14586 1768416.727 375124.6574 304570.604 262216.1504 169293.373 426069.8851 3485874.869 2276692.798 1807639.138 226650.8652 3571238.672 3488806.853 273051.6787 74862.98582 208483.0229 229012.9474 278284.107 687723.171
Tromethamine 1490801.924 1494771.001 2107220.62 1919101.494 1060468.801 1409056.871 2679944.821 1410688.758 1959926.512 1288751.396 1002894.226 1943322.998 2060796.586 2079293.614 1860652.226 2070760.171 1755003.733 5670340.744 1936395.628 1649141.655 1522817.471 1806115.369 1670112.804 1630234.204
Phenmetrazine;1-(2,3-Dihydro-5-ethyl-1H-pyrrolizin-7-yl)ethanone;(S)-Valerianine;7-Ethyl-2,3,6,7-tetrahydrocyclopent[b]azepin-8(1H)-one;1-(2,3-Dihydro-5,6-dimethyl-1H-pyrrolizin-7-yl)ethanone;1-(2,3-Dihydro-1H-pyrrolizin-5-yl)-1-butanone;5-Acetyl-2,3-dihydro-6,7-dimethyl-1H-pyrrolizine;2,3-Dihydro-6-methyl-5-propanoyl-1H-pyrrolizine;2,3-Dihydro-7-methyl-5-propanoyl-1H-pyrrolizine;2,3,6,7-Tetrahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one;Mephedrone 4512235.593 3704478.271 4357906.697 3953220.582 4798527.245 5657074.843 4350274.322 4204630.634 3648777.31 3831792.462 4497361.872 3771184.775 4606478.729 4048960.634 3933370.749 4663030.631 3288134.409 3485081.035 3508311.853 3784515.557 2472059.157 2733370.742 3160998.323 3591231.257
LysoPC(18:2(9Z,12Z));2-linoleoyl-sn-glycero-3-phosphocholine 5241.350819 2678.582932 8086.288749 4597.712919 4627.44911 8913.759779 576123.5915 1713043.25 5622725.166 405195.9179 583563.2484 15182.03587 3846.194659 4951.387614 15286.99574 4364.368444 29663.55966 4074.537347 57583.31816 43977.26834 2578.444964 352073.7479 210670.1994 173746.8846
Chloroform 133605.3192 99209.83126 105875.048 144949.358 238217.6281 5548222.169 74248.58595 73601.16532 32471.60876 49453.42205 140222.1218 67418.0163 67177.69143 312755.6557 54998.49237 72768.46724 62787.20217 244104.7166 68750.63422 47959.12506 47882.32235 254112.689 43526.45953 79773.97788
4-Guanidinobutanoic acid 1638581.363 1184023.367 2165723.605 3234280.067 2038194.349 1677647.843 2707377.342 2394704.797 669993.3646 1931389.137 5530046.095 2411443.882 4812524.422 4732683.698 1465324.303 335035.7809 4977146.203 2866567.712 969894.5048 425935.1253 540657.5222 453555.4775 403489.7387 1008051.087
N,O-Didesmethyltramadol;N,N-Didesmethyltramadol 4584062.568 3996396.542 5030409.361 4738416.794 4946482.325 5511759.911 3868285.097 4204612.292 3743362.59 3998256.009 4915994.916 3625490.408 4556834.103 4494313.656 4179311.374 5266765.512 3825511.328 3803975.941 2968337.365 4314615.848 2403956.569 3264411.736 3576429.021 4171461.165
N1-Methyl-2-pyridone-5-carboxamide;N1-Methyl-4-pyridone-3-carboxamide 1638463.56 2371076.284 2356061.012 1659251.575 1710840.633 1355735.1 4509061.237 4732408.808 3767070.618 3999560.935 4561900.903 1547060.908 611915.7944 2515344.722 1065125.509 688064.7751 3456777.169 2039799.878 4232919.359 2968610.44 3373009.507 5288305.754 3129522.406 5378127.252
Acetoacetic acid;2-Ketobutyric acid;Acetic anhydride;Succinic acid semialdehyde;4-Hydroxycrotonic acid;(S)-Methylmalonic acid semialdehyde;2-Methyl-3-oxopropanoic acid 1921567.229 2034997.425 4962782.405 4600604.768 2298146.145 2268509.279 3424168.133 3166098.141 3388260.173 4847247.481 2982035.112 3833805.334 3097727.822 4218100.059 3696616.513 2048887.945 4611142.124 5333293.357 3148921.726 2646872.529 2937705.481 3452407.352 2813506.941 2944997.479
3-Methyladipic acid;Pimelic acid;2-Methyladipic acid;2-Ethylglutaric acid;Mono-methyl-adipate;2,2-Dimethylglutaric acid;Ethyl methyl_succinate;Diethyl malonate;Propyleneglycol diacetate;3,3-Dimethylglutaric acid 5256602.178 4775457.426 1331254.834 1194683.264 1565844.142 1498904.458 1831256.567 1729601.196 2149402.837 1862059.56 2770631.355 1191033.779 1328292.966 4265887.976 5292159.051 5145064.729 1499851.24 1199842.703 2208898.71 2474812.985 2027557.536 1748421.28 1836539.304 2228348.285
(E)-Avenanthramide D;Avenanthramide 1p 1126996.667 91472.48959 2123699.143 5290111.236 164880.2125 3598.736724 473302.2888 16222.97175 39921.0501 132209.8874 3806.002939 515026.8364 2735748.073 581121.1712 1241748.259 12407.44836 1677828.263 1099628.817 124337.2223 3383.298013 70753.56255 59544.20399 162693.2705 363330.2396
gamma-Aminobutyric acid;L-alpha-Aminobutyric acid;Dimethylglycine;3-Aminoisobutanoic acid;2-Aminoisobutyric acid;D-alpha-Aminobutyric acid;3-Aminobutyrate;(S)-b-aminoisobutyric acid;(R)-b-aminoisobutyric acid;N-Methylalanine;Butyl nitrite;O-Acetylethanolamine;3-Aminobutanoic acid;N-Ethylglycine 2905261.038 3457243.251 3512272.774 4140324.184 2554277.162 2173445.077 3567030.218 3386271.422 3416224.683 3615719.834 2899760.374 2480400.062 5262219.689 4450464.86 3200250.271 1277669.568 5001039.932 3965718.699 3635340.486 1611777.034 3173743.675 3435285.44 2298915.516 2513622.244
Zanamivir 42027.95876 17742.50467 243448.0768 5253442.29 29077.12776 11976.08636 67277.69562 49451.82053 80032.48889 54429.92851 64672.12452 62019.36655 520633.346 2087141.84 1500436.138 23143.85496 464636.8488 4433447.123 127382.5814 36431.3398 42057.33256 43010.35382 115540.7737 315872.9933
Glycerylphosphorylethanolamine;sn-glycero-3-Phosphoethanolamine 1067946.666 765191.0478 2756168.978 3824573.389 804499.7331 443645.2937 1424740.34 869996.8009 847520.4349 1415799.265 1042701.618 932853.9891 3291151.712 2118270.36 1747036.044 475200.6857 3488932.273 5159950.475 878212.2436 617619.3725 604868.1075 706122.8041 605388.2396 961135.3208
1-Nitroheptane;2-Aminoheptanoate;3-Dehydroxycarnitine 3538708.727 2853164.906 4391253.026 2266290.796 2498035.547 2031411.674 2895123.358 2208296.627 2990400.881 2571036.415 2858802.937 5150852.312 4142992.224 2573957.431 2757497.145 1707885.831 3240328.102 2636641.166 1608363.552 1184741.485 1625810.447 2098197.619 1486544.122 2245750.808
N-Methylnicotinamide;Pralidoxime;2-Methylnicotinamide;4-Acetyl-2-methylpyrimidine;2-Aminobenzamide;2-Acetyl-3-methylpyrazine;1,2-Diacylglycerol-Bile-PC-pool;1,2-Diacylglycerol-LD-PC-pool 1925282.845 2248579.215 2141541.867 1521145.714 1876209.582 1058888.923 3705506.699 3876630.219 2631850.632 3576386.57 3446306.193 1015530.861 1983784.828 2822250.404 1709810.06 194613.3375 3308513.023 2559216.53 1587095.085 1196947.986 2296034.699 3323471.795 857906.3975 4998012.515
1-Octen-3-yl glucoside 4253538.185 4943401.155 3496111.337 2132676.98 2873693.047 1913559.706 2431944.7 1861903.997 1584065.17 2001059.585 2519484.784 2950439.558 1475854.53 1655595.824 1906884.383 2156795.084 1724642.525 1248929.67 877569.9913 845483.27 1048479.985 843924.2899 787041.1372 950858.7706
9-Oxo-nonanoic acid;Tetrahydrofurfuryl butyrate;Butyl 3-hydroxy-2-methylidenebutanoate;3-Methylbutyl 3-oxobutanoate;cis-3-Hexenyl lactate;5-Pentyl-1,4-dioxan-2-one;Butyl levulinate;4-Hydroperoxy-2-nonenal;2-Methylpropyl 3-hydroxy-2-methylidenebutanoate;6-Pentyl-1,4-dioxan-2-one 4142805.747 3434919.946 2983711.799 3023926.37 2569900.259 3180522.687 3993979.156 3557439.468 2863483.486 4039856.981 4878798.646 2710205.765 2149906.819 2421334.608 2666911.084 2563062.118 2784441.061 2109375.256 3388810.277 3272018.715 3521351.754 2765323.827 1938786.892 3444168.753
Trichloroacetic acid 103760.8828 71399.589 79315.39704 114504.1054 183147.9585 4859774.215 51424.6559 52805.22991 20652.08167 33502.80546 112880.6915 52035.51309 54242.97566 244776.9555 42789.2553 62726.66281 51710.80655 191190.4771 56178.16294 36505.60096 37804.34519 201646.8385 33350.55293 57853.34267
N-(1-Deoxy-1-fructosyl)leucine;N-(1-Deoxy-1-fructosyl)isoleucine 1155073.924 1752532.952 3361071.137 2368423.564 2643191.859 1629889.19 2073953.469 1739409.8 1798123.871 745186.6478 564065.2895 1299416.493 3820113.248 4699750.938 4835877.219 3750770.945 4727045.255 4283007.944 1258566.039 1329577.334 1333930.497 1135056.799 2094412.72 950393.5109
9,13-Dihydroxy-4-megastigmen-3-one 9-glucoside;Icariside B8;Dihydroroseoside;5a,6a-Epoxy-7E-megastigmene-3b,9e-diol 9-glucoside;5a,6a-Epoxy-7E-megastigmene-3a,9e-diol 3-glucoside 4094360.028 4792153.433 1197571.153 982607.078 881175.9865 1010956.379 938174.4936 839730.5723 1188072.683 1269447.604 566772.9722 753779.9706 800306.4181 2039496.586 2327931.144 1812696.221 1081371.137 904123.2209 691877.3694 507182.1579 411372.8857 588278.6788 337934.7932 643517.2069
Leucyl-Serine;Serylleucine;Serylisoleucine;Isoleucyl-Serine;Valyl-Threonine;Threoninyl-Valine;Meprobamate;Pantothenamide;L-Lysopine 1204233.928 1130572.06 1545336.685 1638042.033 1944191.489 1080252.909 2125496.595 1568059.543 1847212.832 4759586.697 2956298.791 1148330.284 2237477.736 1611366.571 1387877.371 1740430.735 1570174.441 1990956.007 1428147.163 1320509.602 1775698.779 2103855.062 1314538.106 2281827.713
Adipic acid;Methylglutaric acid;2-Methylglutaric acid;4-Ethoxy-4-oxobutanoic acid;Solerol;Dimethyl succinate;Monomethyl glutaric acid;2,2-Dimethylsuccinic acid;(S)-2-Aceto-2-hydroxybutanoic acid 4255251.142 3991779.776 1616014.909 1454052.603 1497506.447 1554789.275 2012693.792 1804699.728 2130414.519 2002461.785 3046913.77 1486153.148 1516196.129 3708492.761 4618328.87 3923315.293 1502796.122 1373858.621 2265005.483 2555818.745 1905467.216 1796673.213 2002228.757 2277679.178
Cinitapride;Acetyl tributyl citrate 4566631.443 4577414.787 1091704.451 890653.6884 979255.7244 765021.9895 767150.2588 732005.9766 941224.2032 1173111.359 611976.5117 1035999.088 632522.2065 1812965.115 2142211.429 2017214.015 882190.2665 643641.1361 473526.4156 449063.3839 553663.3512 502234.4214 321461.9818 464321.1151
Guanidinosuccinic acid 469266.6769 1095985.55 2342681.325 3491682.764 388312.7662 274209.9504 1864366.441 497788.4201 472901.0939 640761.8636 539379.685 370694.6783 1271483.535 3613381.764 2616476.456 334194.733 2587629.706 4530990.697 621616.182 284934.5875 350475.4892 535003.6128 451828.1853 1284599.041
5-Aminoimidazole ribonucleotide;5-amino-1-(5-phosphonato-D-ribosyl)imidazol-3-ium 538015.4195 471554.8481 2437038.249 1601020.722 686046.1611 694702.6192 1194135.846 1056991.889 1559547.223 1355434.982 649833.9817 509920.3702 1548403.104 2976993.387 1744790.167 490981.3451 2965717.054 4068721.259 1134415.711 783888.8148 919857.7271 1238141.003 624812.5802 1050512.924
Oleic acid;Vaccenic acid;Elaidic acid;cis-Vaccenic acid;Octadec-9-enoic Acid;(Z)-13-Octadecenoic acid;7Z-octadecenoic acid;(E)-13-Octadecenoic acid;Ethyl 9-hexadecenoate;Petroselinic acid 57300.2926 29337.22488 81522.76453 60106.23287 46558.68977 296715.2197 165214.3923 936763.8449 4016171.231 50406.46228 173000.5124 259231.8749 27699.47418 19890.53954 209554.4825 44289.69293 300559.9678 106506.5458 99518.74218 51864.79168 22368.08585 306963.7337 370543.7551 40954.83563
Glycerol 1-(5-hydroxydodecanoate) 1923422.844 168236.2245 3999235.525 1232477.391 370891.2118 301597.8508 628061.4288 503240.2878 536575.2011 1054527.04 1010475.055 1250981.372 483627.043 1993264.394 2240016.461 1414347.379 1349910.491 917698.3484 1148901.619 185820.5972 122971.5828 1112317.621 296539.2111 1563240.842
N2-Fructopyranosylarginine 735957.7949 3968298.002 1799489.769 359886.651 3257614.733 2597385.094 1175874.696 2542557.387 2631987.047 602998.0694 539778.9629 1557388.212 968144.8032 1661402.564 1767174.584 2601934.968 1027010.516 886745.9126 269243.7399 626300.8046 840183.2769 687454.6331 565529.584 293510.0088
S-2-Propenyl propanethioate;2-Ethyldihydro-3(2H)-thiophenone;2-[(Methylthio)methyl]-2-butenal 2990584.976 1102080.84 2598629.941 2228667.777 3389173.504 1373208.426 1328134.366 513301.01 693820.8097 1871782.412 1911270.117 1824690.419 3921687.343 3483835.628 890339.0575 804160.8917 3341470.684 1354130.766 1374983.286 1140776.157 1402575.585 1868189.845 1440758.599 1754992.343
4-ethylphenylsulfate;3-ethylphenyl Sulfate 3870032.311 926401.8294 13392.09661 10819.38701 11847.39866 8087.704409 30112.19238 28891.68794 7660.164448 56390.7531 19620.08472 8205.537681 9084.03604 40010.20904 3401.978692 26182.00746 29525.49623 11114.47085 10089.45507 5473.592527 2197.345781 1675.00506 16728.60907 14581.95507
(R)-2-Nitro-p-mentha-1,5-diene;cis-6-Nitro-p-mentha-1(7),2-diene;2-(5-Methyl-2-furanyl)-3-piperidinol;2,5-Dimethyl-4-(1-pyrrolidinyl)-3(2H)-furanone;beta-O-Methylynephrine;5-(1-Pyrrolidinylmethyl)-2-furanmethanol;3-O-Methyl-a-methyldopamine;3,4-Dimethoxyphenylethylamine 2727703.23 2598124.158 3167564.934 2826079.799 3510636.386 3722860.528 2492325.253 2439550.236 2237747.491 2606982.736 2870638.274 2813614.859 3121529.792 3449572.853 2398535.12 3449814.905 2179267.869 3856551.118 1793634.833 2565427.206 1591217.053 1979616.581 2294930.994 2485444.436
2-Hydroxyadipic acid;Levoglucosan;3-Hydroxyadipic acid;2-Hydroxy-2-ethylsuccinic acid;3-Methyl-3-hydroxypentanedioate;D-1-Deoxy-erythro-hexo-2,3-diulose;2(R)-Hydroxyadipic acid;Diethyl dicarbonate;D-1,5-Anhydrofructose 41219.83708 19882.63403 98350.5762 94153.65138 53293.40485 69886.0664 89486.74914 82954.82158 79235.23225 3850574.416 393560.4625 85425.1762 84795.76284 131201.1956 111356.2005 78400.15102 126955.0153 130503.7817 63095.85147 44789.64329 88466.44194 58496.20102 54268.62425 42676.80971
Glycodiazine 128752.4609 37195.46939 1642604.244 3813894.833 134490.8791 4383.752802 145395.1407 5147.283963 8240.710804 135967.6166 7326.67687 69096.60579 2577229.463 972361.9914 1522382.254 9534.528333 3469308.041 2363652.88 41466.94111 4481.163654 46063.54193 24032.21458 83803.56617 549579.0739
2-Hydroxypyridine;1H-Pyrrole-2-carboxaldehyde 1531910.847 1676194.142 3696105.438 2125118.988 1554484.282 1614341.659 1950388.5 1025048.83 1028748.59 1290517.008 1235955.578 1547179.534 2460088.603 2279080.116 2005750.33 1471902.222 1668053.6 2313966.095 1189319.774 1154538.757 1268399.215 1176419.717 1229659.381 1336185.392
Pyrocatechol sulfate;Hydroquinone sulfate 3605986.121 582147.8698 112087.3885 119116.0226 112457.3225 48907.02194 139562.1354 148921.4973 499738.6918 1408852.004 147133.3459 262961.8818 157942.0946 128920.1564 83492.36643 217452.7759 153650.7435 178660.0151 30245.82069 40246.7308 133644.7276 75611.72197 57887.03735 120436.5156
Caffeic acid;4-Hydroxyphenylpyruvic acid;Aspirin;Monomethyl phthalate;(E)-3-(2,3-Dihydroxyphenyl)-2-propenoic acid;3-(3,5-Dihydroxyphenyl)-2-propenoic acid;(2E)-3-(2,4-dihydroxyphenyl)prop-2-enoic acid;3-(3-hydroxyphenyl)oxirane-2-carboxylic acid;(2E)-3-(2,5-dihydroxyphenyl)prop-2-enoic acid;3-(2-hydroxyphenyl)oxirane-2-carboxylic acid;3-(3,5-dihydroxyphenyl)prop-2-enoic acid;3-(3,4-dihydroxyphenyl)prop-2-enoic acid;3-(2,5-dihydroxyphenyl)prop-2-enoic acid;(2E)-3-(2,3-dihydroxyphenyl)prop-2-enoic acid;3,4-Dihydroxy-trans-cinnamate;3-(2,4-dihydroxyphenyl)prop-2-enoic acid;3-(4-hydroxyphenyl)oxirane-2-carboxylic acid;(2E)-3-(3,5-dihydroxyphenyl)prop-2-enoic acid;3-Hydroxyphenylpyruvic acid;2-Hydroxy-3-(4-hydroxyphenyl)propenoic acid 456814.8555 369137.1671 537972.3601 581381.9626 919610.8297 356021.6864 3592597.368 2386297.65 555647.628 1488778.488 786823.5471 828823.085 532683.429 683485.8674 270399.1153 472051.3116 1100611.944 545648.2086 454762.676 299662.6081 587792.1413 579352.1725 675987.2067 786373.5112
Glucaric acid;Galactaric acid;D-Glucaric acid 1993157.841 1702738.621 2197064.523 1595875.606 2078523.252 1125074.511 3000370.284 2409571.247 2451069.768 3111871.967 2676450.634 2084966.772 3081674.012 2914033.35 3538144.711 1958130.448 2744972.777 3301468.22 3064526.041 1184201.585 2454700.162 3018336.823 2545677.642 3579461.256
Palmitoleic acid;Palmitelaidic acid;Hypogeic acid;(E)-3-Hexadecenoic acid;Citronellyl hexanoate;(Z)-13-Hexadecenoic acid;(E)-11-Hexadecenoic acid;(Z)-5-Hexadecenoic acid;(Z)-14-Methyl-6-pentadecenoic acid;(E)-6-Hexadecenoic acid;Trans-Hexa-dec-2-enoic acid;15-Hexadecanolide;5-Dodecyldihydro-2(3H)-furanone 83818.44002 201112.0218 482156.2974 56196.91311 548239.3485 817559.453 406160.6357 851689.7994 3548186.875 36722.66978 103480.5884 829328.5833 151716.5283 355500.6883 1491126.59 996396.0379 886426.8026 641349.2138 460162.1785 287429.5138 79469.10329 590815.5729 510162.9849 174657.8881
Ascorbic acid-2-sulfate 2788820.096 2737874.049 2490286.674 2049139.827 3023802.402 2525658.358 3215696.978 3014229.764 3209531.239 3538439.378 2970489.626 1545961.101 1440609.777 1795944.239 820042.3499 683882.6105 2345273.012 1979246.646 2072367.93 749210.5097 2125811.503 2571492.928 889778.443 2727048.194
Hydroxyprolyl-Isoleucine;Isoleucyl-Hydroxyproline;Leucyl-Hydroxyproline;Hydroxyprolyl-Leucine 3337318.476 3428895.251 2504048.759 2017266.307 2057596.432 1842592.599 2158270.449 1889760.736 1930094.019 2070568.885 2676158.879 1703637.027 1889338.537 2804409.266 2777261.878 2762930.813 1935657.089 1634999.561 1491649.802 1783419.511 1545476.296 1348752.61 1336312.704 1710516.496
Histamine;Betazole;Histamium 198189.141 883805.4562 1028877.207 510085.3019 616165.3598 619884.6664 574385.7412 1484272.698 1075267.18 3416691.419 1926151.233 251232.3238 2374381.655 127866.963 392354.3554 696849.3404 376429.1474 486249.9685 695294.1306 106086.3704 997443.2431 282134.0355 232349.4026 1567372.325
2-Diethylaminoethanol 2642534.077 1740998.478 2214412.341 3406030.713 2377171.341 2337233.869 2516475.815 1786067.392 1996957.239 1947607.153 2471574.784 2611329.841 2358906.259 2456239.042 2890271.514 2334699.762 2068375.386 2336938.798 1842789.368 1639741.261 1305795.796 1639839.171 1552063.356 1821210
Dodecanoic acid;Octyl butanoate;Ethyl decanoate;Isopropyl nonanoate;Decyl acetate;Octyl 2-methylpropanoate;(R)-Dihydrocitronellol acetate;2-Heptyl butyrate;Pentyl heptanoate;Hexyl hexanoate;Isobutyl octanoate;Nonanal propyleneglycol acetal 621017.8758 1051431.848 1640276.321 555748.5635 1188122.853 1030790.32 1006666.998 1447560.752 1695620.437 452703.1542 377314.8605 1686881.758 749368.4355 1214284.937 3351615.264 1180564.64 767788.0201 1159588.36 845985.23 869491.4422 2655039.213 922177.5149 870180.694 561263.2007
Tolmetin glucuronide 88722.6284 51684.82496 1096823.594 1341283.003 200072.3578 17978.55527 85691.99899 50895.79919 80723.56436 10739.15072 28071.96602 173034.7708 1068316.997 735561.2906 1145240.017 66418.90296 3314281.057 2100063.956 72672.2737 21037.43172 46481.62791 70937.37044 86538.32164 132861.9704
S-Acetyldihydrolipoamide;S-Acetyldihydrolipoamide-E 92167.73986 241366.4014 1514243.561 1401721.493 159526.2038 33529.62426 281114.4036 19990.47745 87509.03043 204798.1523 64819.13589 263375.1583 795753.7005 2891369.209 1718376.583 14652.009 1780729.668 3274753.945 206779.3429 21527.99318 53652.51144 78626.26893 164247.9614 309399.1435
N-gamma-Glutamylglutamine;N2-gamma-Glutamylglutamine;Glutamylglutamine;Glutamyl-Gamma-glutamate;Glutaminylglutamic acid;Norophthalmic acid 1785532.299 1860034.543 2580553.12 2155650.342 1980487.134 2218742.68 2271223.227 2294628.071 2315188.23 1395509.568 655609.0329 2827793.461 2409716.614 2227456.917 2107965.849 2797893.358 2858988.03 1915795.781 3272943.658 2105712.035 1816256.944 2789283.158 2850870.828 2560228.258
Glutaric acid;Methylsuccinic acid;Ethylmalonic acid;(S)-Methylbutanethioic acid;Dimethylmalonic acid;2-Hydroxy-4-oxopentanoic acid;2-C-Methyl-1,4-erythrono-D-lactone;2-Deoxy-L-ribono-1,4-lactone;Monoethyl malonic acid;2-Acetolactate ;(S)-2-Acetolactate 867509.9925 918595.3293 3167728.047 1988669.169 983785.8977 919534.608 1419354.203 1221865.065 1415103.088 2136790.528 1246366.33 1256522.13 1337248.452 2117661.839 1630762.197 1171686.3 2370444.431 3264812.691 1284142.064 1309157.784 1121617.116 1333486.64 1189106.415 1406506.708
(4-ethenyl-2,6-dihydroxyphenyl)oxidanesulfonic acid;Vanillin 4-sulfate;2,4-Dihydroxyacetophenone 5-sulfate;2-[3-(sulfooxy)phenyl]acetic acid;2-[4-(sulfooxy)phenyl]acetic acid 1236977.823 977438.8077 610639.0095 3115780.32 2590469.333 1931559.32 1282024.176 3264099.126 2332292.736 1717390.222 1592847.56 940274.087 735790.0727 901554.6962 278467.0134 417599.1894 1209257.405 762763.2596 466165.5742 646467.1663 638058.6779 594742.6333 354481.9186 999876.9587
2-(2,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-3,6,7-trimethoxy-4H-chromen-4-one;6-({3-[(1E)-buta-1,3-dien-1-yl]-1-oxo-1H-isochromen-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid;5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,8-trimethoxy-4H-chromen-4-one;5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,8-trimethoxy-4H-chromen-4-one;2-(2,3-dihydroxy-4-methoxyphenyl)-5-hydroxy-3,6,7-trimethoxy-4H-chromen-4-one;2-(3,4-dimethoxyphenyl)-5,6,8-trihydroxy-3,7-dimethoxy-4H-chromen-4-one;3,4,5-trihydroxy-6-[2-(phenoxycarbonyl)phenoxy]oxane-2-carboxylic acid 1472478.589 1219379.169 2691561.061 2464793.715 796222.9542 709817.3561 1618162.862 1275292.927 1469583.101 2644934.177 897939.0027 1042750.975 1755911.641 3239935.611 2886799.398 1391793.174 2478068.156 2609180.992 1160554.546 1268435.764 1242494.604 1513881.477 988527.6278 1335741.758
3-Hydroxyoctanoic acid;Hydroxyoctanoic acid;7-Hydroxyoctanoic acid;8-Hydroxyoctanoate;(R)-2-Hydroxycaprylic acid;3-Hydroxyvalproic acid;5-Hydroxyvalproic acid;4-Hydroxyvalproic acid;(+/-)-Ethyl 2-hydroxy-3-methylvalerate;Ethyl 2-hydroxy-4-methylpentanoate;Ethyl (±)-3-hydroxyhexanoate;Peroxyoctanoic acid;Isoamyl lactate;(7R)-7-hydroxyoctanoic Acid;(R)-3-Hydroxyoctanoic acid 3162824.64 3138249.953 931139.3342 765251.5108 811466.6868 905991.4014 938886.8914 902224.8546 1009803.813 1226213.597 1468708.58 622667.5013 747056.3549 2394809.724 3124126.383 2674689.351 928535.3639 722480.0576 909162.2031 1057570.365 827939.3348 814859.5122 685308.9355 895555.5477
Kuwanon Z 7618.77531 5073.980271 1089780.471 3156326.575 11860.72564 3987.259766 15112.49758 4356.734573 4530.518513 7872.027699 4664.568652 5242.324016 1818646.735 548592.4178 893693.6468 4257.191846 2239128.591 1815515.757 4521.406174 4115.354348 4005.736862 4177.276653 10706.59732 110174.8069
D-Xylose;L-Arabinose;D-Xylulose;D-Arabinose;L-Ribulose;L-Threo-2-pentulose;Arabinofuranose;2-Deoxyribonic acid;3-hydroxy-2,2-bis(hydroxymethyl)propanoic acid;Aldehydo-D-xylose;beta-Arabinose;2-Deoxypentonic acid;D-Apiose 1479500.386 1035763.278 3154174.626 2922703.282 1483897.194 744041.2568 1918845.423 826616.0087 307766.1098 1397682.539 1714241.324 1654909.814 1594883.559 2620656.654 2086856.369 918354.4432 1954508.814 2748751.701 1953678.009 1080304.594 1352974.555 761588.0943 1292508.4 979954.0344
Glucosereductone;Malonic semialdehyde;2-hydroxyacrylic Acid 1046057.926 572936.7937 1423441.586 1233348.654 1037451.625 325975.7658 3119621.401 1844536.612 1244219.096 1100730.401 1279952.858 965005.0443 1003998.374 1071589.019 814270.0721 1122008.48 1195964.788 856523.3431 724200.5866 845052.2975 856755.3466 830591.9094 887179.3458 1024414.49
LysoPC(16:0);1-palmitoylglycerophosphocholine;2-Palmitoylglycerophosphocholine;LysoPC(0:0/16:0) 14207.73933 11663.23406 55163.48571 32602.35563 21724.99635 47953.10626 256864.9226 772603.4884 3048437.655 326475.0259 284055.7974 17872.77836 17005.01055 12378.26392 84543.81791 5462.631032 109456.7503 44364.22178 59863.49012 57793.22069 46546.68523 302837.5494 188209.1837 104403.0811
3-Methylglutaconic acid;trans-2-Hexenedioic acid;Ethyl hydrogen fumarate;Maleic acid homopolymer;Dimethyl fumarate;(E)-2-Methylglutaconic acid;3-Hexenedioic acid;3-Hydroxyadipic acid 3,6-lactone 11616.24306 10127.37615 15213.72316 14125.42794 11725.13211 13006.39923 11148.47422 31904.03888 11198.61988 3032098.128 422323.5189 17512.07643 15278.43469 18279.00049 14087.97938 10008.24428 19223.40304 17401.57478 11075.25688 9479.43879 13082.30541 11441.89242 11209.96428 11429.46998
Methylisopelletierine;2-(1-Pyrrolidinyl)-3-pentanone;3-(1-Pyrrolidinyl)-2-pentanone;2,2,6,6-Tetramethyl-4-piperidinone 239218.6537 240700.916 915532.0994 561675.5529 1679674.993 581763.0179 210638.6822 1139408.449 694614.8824 284416.5684 367665.0384 161422.5429 3017657.868 416631.3852 743244.4685 293849.0071 252888.8188 464869.0639 99389.07158 333573.2885 192718.1092 146903.7257 1225421.106 119955.462
Dodecanedioic acid;Bis(1-methylethyl) hexanedioate;Dipropyl hexanedioate;Talaromycin A 2971228.082 2803165.816 682998.7794 593912.254 630481.9587 635712.9042 675194.8041 655446.5099 804202.0308 754352.8582 956834.403 602216.9508 638782.8015 2272081.13 2777495.678 2406077.915 804621.1487 613319.2141 708422.9995 781097.1 650905.2109 566649.3023 547349.5332 633214.0944
Threoninyl-Asparagine;Serinyl-Gamma-glutamate;Serylglutamine;Asparaginyl-Threonine;Glutaminylserine 2793894.342 99472.74252 1055048.709 2950312.482 33180.279 6222.095454 770131.9177 54041.14089 24354.3135 75836.97927 6499.723299 124644.3487 1298984.447 212458.3335 407294.3107 10584.84497 826358.0345 372305.3047 40184.78455 5068.323414 34688.46246 31403.69923 56825.41409 169198.4115
N-3,7-Dimethyl-2,6-octadienylcyclopropylcarboxamide;N-Isobutyl-2,4,8-decatrienamide;Sarmentine 1708715.023 1156843.965 2765660.038 2850958.297 2214301.822 2327138.684 2080032.507 2117035.738 1872714.655 2396086.526 2945821.016 1204016.189 1519760.531 1924208.076 1361058.907 2033343.039 1420045.155 1416605.375 780632.4144 1440737.989 1040985.474 1233573.904 1121538.009 1876581.473
Sulcatone;3-Octen-2-one;2-Octenal;(E)-2-octenal;2-Ethyl-2-hexenal;(3xi,5Z)-1,5-Octadien-3-ol;2,5-Octadien-1-ol;(2E,4E)-2,4-Octadien-1-ol;(3E,5Z)-3,5-Octadien-1-ol;1-Octen-3-one;(S,E)-Filbertone;5-Methyl-5-hepten-2-one;2,4,4-Trimethylcyclopentanone;2-Ethylidenehexanal;6-Methyl-3-hepten-2-one, trans-;2-Octen-4-one;6-Octenal;3-Methyl-3-hepten-2-one;(Z)-5-Octenal;4-Octen-3-one;5-Octen-2-one 2918336.15 2784871.675 974769.4925 908845.8789 971863.3472 931383.3755 1055855.51 1000246.605 1157200.144 1166614.07 1324710.569 834394.9753 841947.1487 2187395.423 2642371.805 2646875.736 1014298.493 896588.5319 1053902.967 1293420.324 1061839.611 1022302.093 921982.9011 1016681.889
Glutamylglycine;Aspartyl-Alanine;Glycyl-Glutamate;gamma-Glutamylglycine;L-beta-aspartyl-L-alanine ;Alanyl-Aspartic acid 2864766.702 511516.4772 1079745.391 935991.3651 504793.8443 553299.2124 825131.1988 774818.6243 672727.9172 1010673.322 1036980.81 707859.2611 940919.3736 749805.0486 852941.6943 604144.2066 1366695.481 912658.2772 816796.4152 485666.3071 445433.0532 713332.0544 574808.0765 793987.9903
Mexiletine;Methylephedrine;7-Ethyl-2,3,4,5,6,7-hexahydrocyclopent[b]azepin-8(1H)-one;3,4-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;3-Ethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;5-Ethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;trans-4,5-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;2,3,4,5,6,7-Hexahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one;Methoxyphenamine 122835.522 1396631.964 2589082.683 2787424.399 84986.45704 110848.7566 1603041.884 2212462.846 1934562.894 1597223.775 2352498.852 2154686.341 97129.3522 95604.52348 107243.8783 10035.51741 47403.26867 2093556.225 1170882.597 1318157.225 1119429.449 1608882.2 1918880.911 1925443.777
Oxoadipic acid;2-Methyl-4-oxopentanedioic acid;3-Oxoadipic acid 1528374.81 925928.0039 2697188.532 1850395.996 2759150.428 2329079.458 1601158.299 1643967.586 1939037.587 1982402.823 1273740.074 2020381.127 1337662.188 897033.4699 685384.4729 1067733.486 918653.7033 780812.5489 1033817.996 620816.7814 803033.9651 963298.7628 628425.3492 890002.1714
N-Desmethyl tapentadol 2188747.174 1580510.242 2729196.207 2392834.54 2357170.827 2691689.98 2178022.182 2142309.291 1854836.404 2226249.132 2541960.59 1410901.103 2125380.072 2185209.923 1712236.425 2410552.492 1752844.86 1730956.673 1018653.554 1670451.379 1067314.516 1383932.203 1416572.391 2039282.188
N-Acetylarylamine;2'-Aminoacetophenone;2-Aminoacetophenone;2,3-Dihydro-1H-pyrrolizine-5-carboxaldehyde;4-Acetyl-3-methylpyridine;2-Acetyl-5-methylpyridine;5-(2-Furanyl)-3,4-dihydro-2H-pyrrole;2-Acetyl-4-methylpyridine;4-Acetyl-2-methylpyridine;2-Acetyl-6-methylpyridine;2-Phenylacetamide 2440618.383 2372851.266 2371970.787 2712578.273 2398257.125 2717313.473 2294288.751 2127126.272 1861907.761 2026161.547 1913254.421 1902023.072 2228034.478 2321549.653 2198360.527 2512812.806 1987632.618 2114424.852 1696188.558 1881256.889 1684141.422 1738834.59 1761560.828 1945874.38
Monomenthyl succinate;5-Nonyltetrahydro-2-oxo-3-furancarboxylic acid;(6R,8Z)-6-Hydroxy-3-oxotetradecenoic acid;(6S,8Z)-6-Hydroxy-3-oxotetradecenoic acid 2715007.943 1691595.152 277318.4365 85701.49748 92538.80995 49786.38222 36635.87859 38922.19627 32639.00879 164525.4724 46806.49331 27118.85181 105853.0565 240236.2126 36072.01726 41462.05411 42405.54321 45867.18886 16181.77877 17807.97118 23559.41517 16414.79127 11070.40344 18809.10823
Thiolutin 127916.0368 19254.47284 371045.1027 1083638.6 55055.16383 25622.43197 61425.64283 6911.051067 9938.791121 1764806.85 2679535.082 7632.204142 213701.645 383285.5557 59414.49122 6734.526388 249229.8157 169717.6817 99549.6518 6249.267103 21467.73946 8234.821884 23754.54324 121975.6893
3-Oxotetradecanoic acid;6-Ketomyristic acid;L-Menthyl (R,S)-3-hydroxybutyrate 559952.7889 621998.0755 1327506.46 646034.6396 973875.05 991861.6656 1011242.854 963132.6174 1733740.045 514538.8083 1538776.887 2343512.685 257848.579 277798.496 292873.0951 449945.6168 307687.3986 466987.1973 2414715.308 763801.9026 916131.5998 2665763.693 583436.5697 1846850.195
Maltol;1,2,3-Trihydroxybenzene;1,3,5-Trihydroxybenzene;Methyl 2-furoate;(Z)-Tamarindienal;benzene-1,2,4-triol;4-Hydroxy-2H-pyran-3-carboxaldehyde;5-Methylfuran-2-carboxylic acid;5-Hydroxymethyl-2-furancarboxaldehyde 11486.10846 10013.92105 15043.28666 13967.1834 11593.77764 10207.62045 11023.57994 18617.37142 11073.16383 2604596.399 337983.6065 14691.78239 15107.27323 13546.45285 13696.8055 9896.12378 17829.08607 17206.62818 10951.18284 8762.585627 10275.75881 11187.36748 10497.10369 10552.76287
Myristic acid;12-Methyltridecanoic acid;Ethyl dodecanoate;10-Methyltridecanoic acid;Nonyl isovalerate;3-Methylbutyl nonanoate;Hexyl octanoate;Heptyl heptanoate;Decyl butanoate;Dodecyl acetate;Isobutyl decanoate;Undecanal propyleneglycol acetal;2,6,10-Trimethylundecanoic acid;Hexanal octane-1,3-diol acetal 161534.8804 380636.9229 560288.4276 96345.43958 680187.9256 675450.6343 555211.803 1399159.302 2598434.862 77892.42734 103509.0501 1252631.168 223289.9975 608482.4018 1076067.133 949856.3969 632180.408 754707.8138 488492.4578 404991.0186 198841.641 739884.5381 512553.6016 242375.7491
Sorbitol;Mannitol;Galactitol;L-Iditol 949139.5452 731339.5208 1567448.73 1575696.935 1769175.486 731374.5203 1382612.074 1239200.758 1344443.908 1548612.374 931267.0521 1219750.716 1360561.627 2220537.717 1473962.271 735990.7226 2213748.056 2560763.658 881782.5202 935976.226 731876.4724 1033846.319 971247.6434 940520.7161
2-Furanylmethyl butanoate;Ethyl 2-furanpropionate;1,3,5-Trimethoxybenzene;(4-Hydroxy-3-methoxyphenyl)ethanol;Epoxyoxophorone;4-ethyl-6-methoxybenzene-1,3-diol;5-methoxy-2,4-dimethylbenzene-1,3-diol;1-Ipomeanol;2,6-Dimethoxy-4-methylphenol;5-ethyl-3-methoxybenzene-1,2-diol;3,5-dimethoxy-2-methylphenol;4-Ipomeanol;4-ethyl-2-methoxybenzene-1,3-diol 2230495.638 2560741.717 1757826.097 1312468.441 1431498.483 1332701.707 1517589.717 1355330.353 1449595.95 1472149.597 2123672.52 1035448.907 1207884.331 1872539.979 1989466.812 2045654.511 1344041.593 1029050.687 1069152.5 1335013.99 1131114.606 970701.2057 996715.8554 1277452.442
Phenylpropanolamine;N-Methyltyramine;2-(1-Pyrrolidinyl)-2-cyclopenten-1-one;2-(5-Methyl-2-furanyl)pyrrolidine;2-(2-Furanyl)piperidine;2,3,4,5,6,7-Hexahydrocyclopent[b]azepin-8(1H)-one;2-Acetyl-3-ethylidene-3,4,5,6-tetrahydropyridine;1-Furfurylpyrrolidine;1,2,3,4,5,6-Hexahydro-5-methyl-7H-cyclopenta[b]pyridin-7-one;1,2,3,4,5,6-Hexahydro-6-methyl-7H-cyclopenta[b]pyridin-7-one;N-Methylphenylethanolamine;N-methylphenylethanolaminium;4-Hydroxyamphetamine 1985094.513 1725538.403 1915833.071 2067803.336 2101625.992 2489139.39 1751729.396 1555125.729 1536218.864 1549730.38 1751901.981 1564936.478 1902622.693 1802429.854 1699771.102 2182824.063 1547050.728 1543010.46 1200464.079 1460010.135 968544.2135 1247813.653 1261124.305 1485840.091
N-lactoyl-Methionine 231999.4808 357476.4023 1419930.308 2030049.396 251832.264 118882.3426 495163.6579 347830.1716 423314.558 639070.0424 473748.656 429278.8784 2010930.748 989775.0944 1177710.848 69425.16577 2471852.637 2144553.367 489238.0241 143128.0368 382566.1422 527719.0545 297851.6698 596234.6673
Glutaric acid;Methylsuccinic acid;Ethylmalonic acid;(S)-Methylbutanethioic acid;Dimethylmalonic acid;2-Hydroxy-4-oxopentanoic acid;Monoethyl malonic acid;2-Deoxy-L-ribono-1,4-lactone;2-C-Methyl-1,4-erythrono-D-lactone;(S)-2-Acetolactate;2-Acetolactate 2452758.31 2461023.151 866436.6223 584034.9672 868073.3144 1002672.658 1062148.962 962749.8005 1054347.192 979036.5268 1030195.389 673832.547 992073.5748 2262540.813 1607413.907 1513729.474 803143.1387 644582.4228 854468.0321 999502.2767 1016243.099 806291.7849 615315.6814 934664.9347
Glycogen;Maltotetraose;Stachyose;Mannan;Sesamose;3-beta-Glucosylcellotriose;Nystose;Bifurcose;Fagopyritol A3;Fagopyritol B3;Neobifurcose;3-beta-Cellobiosylcellobiose 55623.21683 20681.60051 121997.0919 91731.88098 3891.525884 3479.949145 38532.95764 25138.24674 16070.19063 2424488.791 571984.9697 74548.52576 73541.3841 31230.76802 63207.77456 3809.460811 124912.0992 120476.9729 7757.20905 8856.382333 3455.504603 5351.963219 5022.856918 14632.57357
Tetrahydrofurfuryl butyrate;9-Oxo-nonanoic acid;Butyl levulinate;5-Pentyl-1,4-dioxan-2-one;2-Methylpropyl 3-hydroxy-2-methylidenebutanoate;6-Pentyl-1,4-dioxan-2-one;4-Hydroperoxy-2-nonenal;Butyl 3-hydroxy-2-methylidenebutanoate;cis-3-Hexenyl lactate;3-Methylbutyl 3-oxobutanoate 303430.9152 2380232.673 964414.933 209509.021 931558.944 208049.5457 1820750.714 163469.49 991286.3628 193992.1404 289099.3935 180784.7484 1316460.029 840726.9427 995399.9352 1866444.728 1603256.976 690873.1035 153011.3251 106316.4562 168824.6792 163151.709 614662.5464 100310.4706
Demeclocycline;(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid 1742460.511 1304869.205 2146681.822 1647034.278 1043766.051 1160035.608 1695447.468 1534278.384 1394859.566 2028040.43 1619350.833 1464816.987 1853018.583 1955770.284 1435649.635 1844192.988 2370676.668 2334655.935 1488187.311 1557961.332 1872451.132 1811845.096 1078550.508 1713482.042
Pipecolic acid;D-Pipecolic acid;N-Methyl proline;Vigabatrin;L-trans-4-Methyl-2-pyrrolidinecarboxylic acid;2-Pyrrolidineacetic acid;N4-Acetylaminobutanal;D-pipecolate;(2E)-Decenoyl-ACP;1-Piperidine carboxylic acid;3-Acetamidobutanal 2343924.291 1891544.503 2116693.184 1511035.85 1563852.415 1445539.398 1351624.26 1392218.643 1406846.62 1724484.703 2201344.931 1725580.681 1706715.109 1452840.618 2256457.188 2015466.036 1630993.849 1478715.211 1117581.243 1115062.517 879080.9798 944575.9656 1180181.706 1109704.795
Histidinyl-Asparagine;Asparaginyl-Histidine 602336.5857 505604.4335 1426076.834 899546.0173 676977.0784 497709.2337 1062462.2 961985.3282 603975.7845 1239378.989 952564.6208 729323.9293 1017304.47 1576786.289 1168497.491 695154.2948 2312696.126 1641013.674 486208.039 594098.3674 398962.5991 463280.3386 685750.8768 576765.0471
1-Methylhistamine;3-Methylhistamine;N(tele)-methylhistaminium;N-Methylhistamine 619917.245 480739.5308 781505.2889 873133.9742 1082707.686 1017143.156 980276.8008 1439018.952 954267.966 2285308.272 1990690.072 1215666.208 1274616.961 426606.8971 653612.7728 680270.5401 734999.9415 1201991.379 378652.9138 390264.6505 588839.3458 765483.8159 703046.5731 733697.6671
N-(1-Deoxy-1-fructosyl)valine 526588.4247 840936.1135 1446871.215 1036104.629 1472889.007 810175.3212 1262775.983 1709310.364 1035598.374 392892.1181 309666.4105 709574.2856 1526334.429 2132821.551 2071012.687 2284725.401 1720080.224 1877906.041 522325.811 823970.3089 726612.5325 609393.6902 1088684.992 456723.8663
5-Hexyltetrahydro-2-oxo-3-furancarboxylic acid;alpha-Carboxy-delta-decalactone;2-Carboxy-5,7-dimethyl-4-octanolide 2282718.691 2228736.483 1010860.54 798720.5507 1066165.262 922803.6381 761235.746 835991.1318 748222.0291 1052028.246 1374283.171 874310.9559 872503.3406 1368072.369 2037196.823 1857268.922 920762.2859 602777.4532 533075.3403 753063.8739 642790.8713 536634.783 663569.2252 724816.1861
Lysyl-Valine;Valyl-Lysine 1057776.19 400120.9506 964987.9292 2264719.988 522982.4886 82383.69764 318923.2494 302050.463 207632.9832 610746.9608 473060.6572 337500.8654 1621957.786 994530.3974 1028251.191 145391.414 1671560.087 1870318.478 216637.1835 83600.30342 250372.2431 256857.3418 265077.7373 337324.3203
3-Sulfinato-L-alaninate;3-Sulfinoalanine 1129919.051 271900.8057 2258938.081 1288058.921 222442.0648 115208.2217 1400381.086 158562.4056 119447.7449 254853.0299 260452.6057 540161.622 1552927.034 1098564.115 598799.9031 220386.736 798868.9751 1259132.002 261251.9575 81343.15853 162326.7375 129511.6789 153487.9683 357665.5553
Hexylamine;Triethylamine 434515.7929 113795.9178 2252821.311 933226.4891 160162.1202 154771.3412 918805.6492 74255.62515 45303.59523 333227.9501 387735.1645 191271.1282 590229.4286 581138.3325 401931.6546 959199.8694 457589.6239 759148.1852 94913.28706 141074.0149 108880.7411 110977.3333 69265.56962 231149.5148
LysoPC(20:4(5Z,8Z,11Z,14Z));LysoPC(20:4(8Z,11Z,14Z,17Z));2-Arachidonoylglycerophosphocholine 5180.50961 2744.05781 29134.59413 5867.872474 4717.892537 22115.75121 211687.4428 612311.8891 2197604.828 157414.9385 214413.1402 9796.163207 3686.699848 4876.701179 5869.195349 4183.38589 32672.04577 11148.62447 40952.07527 37152.94222 7482.706658 176784.7522 57843.04281 92305.43154
Homovanillic acid;Hydroxyphenyllactic acid;3,4-Dihydroxyhydrocinnamic acid;3-(3-Hydroxyphenyl)-3-hydroxypropanoic acid;Isohomovanillic acid;Meta-hydroxyphenylhydracrylic Acid;2,6-Dimethoxybenzoic acid;5-ethenyl-3-methoxybenzene-1,2,4-triol;3,4-Dimethoxybenzoic acid;Methyl vanillate;3-Methoxy-4-hydroxyphenylglycolaldehyde;2-(2,4-dihydroxyphenyl)propanoic acid;2',6'-Dihydroxy-4'-methoxyacetophenone;3-(2,4-dihydroxyphenyl)propanoic acid;2-hydroxy-2-(4-methoxyphenyl)acetic acid;Maltol propionate;2-(3,4-dihydroxyphenyl)propanoic acid;2-(3-hydroxy-5-methoxyphenyl)acetic acid;2',4'-Dihydroxy-6'-methoxyacetophenone;3-(2,5-dihydroxyphenyl)propanoic acid;(±)-2-Hydroxy-3-(2-hydroxyphenyl)propanoic acid;3-(2,3-dihydroxyphenyl)propanoic acid;2-hydroxy-2-(3-methoxyphenyl)acetic acid;3,5-dimethoxybenzoic acid;2-hydroxy-3-(3-hydroxyphenyl)propanoic acid;4-ethenyl-6-methoxybenzene-1,2,3-triol;3-(3,5-dihydroxyphenyl)propanoic acid;3-hydroxy-3-(4-hydroxyphenyl)propanoic acid;3-Hydroxyphenyllactate 878527.619 717847.8516 1069981.529 1019986.46 1029218.306 672533.7584 2154939.702 2054534.773 1110803.708 1717369.751 1073713.841 1712922.335 941235.1014 1256497.941 644829.6921 532874.2766 1115259.922 1080248.159 789952.3253 627885.7015 643077.5479 997287.4385 675406.12 1014671.04
(1alpha,2alpha,4betaH,6alpha,8R)-p-Menthane-2,6,8,9-tetrol;(1S,2S,4R,8R)-p-Menthane-1,2,8,9-tetrol;(2xi,3xi,6E)-3,7-Dimethyl-6-octene-1,2,3,8-tetrol;3,7-Dimethyl-3-octene-1,2,6,7-tetrol;(2xi,6xi)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 370274.0498 359226.1075 2101245.737 871835.0322 490315.1784 490832.5115 867750.18 216249.8094 188411.4865 329429.557 285600.8575 474154.4801 1154570.123 1030269.126 961902.6856 347483.5538 918441.4232 1368293.008 275809.4824 226778.3231 304321.1978 299556.2973 258206.2321 314553.4083
(S)-N-Methylsalsolinol;(R)-N-Methylsalsolinol;Ethyl N-ethylanthranilate;2-Isopropylphenyl methylcarbamate;2-Methylpropyl 2-aminobenzoate;Butyl 2-aminobenzoate;(-)-Salsoline;(R)-1,2-dimethyl-5,6-dihydroxy-tetrahydroisoquinoline 1879022.769 1875718.071 2005450.617 1672199.812 2095393.208 1815835.951 1300201.722 1336924.271 1517316.713 1601589.541 1506791.846 1904431.994 1679995.909 1569277.879 1629086.742 1741131.641 1334630.979 1381219.211 1290594.743 1035578.662 1299136.056 1479248.71 1282021.933 1556242.727
Methyl 1-(1-propenylthio)propyl disulfide;(-)-1-(Methylthio)propyl 1-propenyl disulfide 315386.9052 304443.1871 604173.3083 1467021.086 682778.3787 862898.9747 560429.1267 881803.2465 1613111.729 2094647.645 928188.0188 1295079.568 648699.3434 165750.1714 261149.7629 226824.0444 1457847.172 968183.8568 1121407.203 827314.8731 1051357.28 482475.3661 719262.5372 1251690.58
Caproic acid;Ethyl butyrate;Isocaproic acid;Methyl pentanoate;Propyl propionate;Methyl (S)-2-Methylbutanoate;Caproate (6:0);(±)-2-Methylpentanoic acid;3-Methylpentanoic acid;n-Butyl acetate;Methyl 3-methylbutanoate;Ethyl 2-methylpropanoate;3-Methylbutyl formate;2-Ethylbutanoic acid;Isopropyl propionate;2,4,5-Trimethyl-1,3-dioxolane;Pentyl formate;2-Methylpropyl acetate;Diacetone alcohol;2,2,4-Trimethyl-1,3-dioxolane 938343.7331 1187265.613 2067474.351 832582.4199 1722051.735 1309149.341 1015615.955 1787138.474 1378572.14 1057676.821 1134069.633 1032999.822 2061104.251 1175230.098 1324802.79 1269283.764 969161.52 1225587.943 1130682.947 1484402.36 1223258.18 1068447.125 1645511.921 1128272.241
4-Hydroxynonenal;Ethyl cyclohexanecarboxylate;2-Nonenoic acid;Methyl 4Z-octenoate;Isobutyl angelate;cis-Ethyl 4-heptenoate;Methyl 2-octenoate;Methyl (E)-2-octenoate;2-Propenyl 2-ethylbutanoate;2-Propenyl hexanoate;Methyl 3-Octenoate;(E)-2-Ethyl heptenoate;Dihydro-5-pentyl-2(3H)-furanone;2,4-Nonanedione;Quercuslactone a;6-Butyltetrahydro-2H-pyran-2-one;2-Hydroxy-2,6,6-trimethylcyclohexanone;(E)-3-Heptenyl acetate;6-Hydroxy-4,6-dimethyl-3-hepten-2-one;Hept-trans-2-en-1-yl acetate;4-Oxononanal;Cyclohexyl propionate;3,4-Epoxynonanal;trans-2-Hexenyl propanoate;Prenyl isobutyrate;cis-3-Hexenyl propanoate;(Z)-Oak lactone;(E)-Oak lactone 1961137.441 2058055.903 577960.0778 464339.4403 534507.894 491629.4094 580090.5587 568605.6882 674950.1596 659455.9224 753838.8759 528309.5397 543589.7326 1452240.877 1768281.57 1732603.149 620924.4132 458788.0625 639268.8911 791104.8644 553516.5009 553218.968 716985.2438 537891.6678
1,5-Anhydrosorbitol;L-Fucose;Rhamnose;L-Fuculose;3-Deoxyfructose;2-Deoxyglucose;D-Fucose;2-Deoxygalactopyranose;L-Rhamnulose;Alpha-L-fucose;Beta-D-Fucose;6-methyloxane-2,3,4,5-tetrol;2-O-Methyl-D-xylose;L-Fucose-1P;beta-L-fucose 1449471.823 1536713.039 1996268.868 1679155.873 1828339.109 1909175.826 1239869.674 1189349.888 1342416.676 1107823.563 1063537.802 1321071.903 1681954.213 1959243 1778599.209 1729698.375 1637274.208 1789706.32 997987.4942 947548.5043 868956.6399 1102370.553 764781.2994 975397.1594
2,4-Dodecadienoic acid pyrrolidide 227209.5685 135314.4759 662186.6437 1581430.932 487785.277 382072.8698 455193.0979 540244.0454 799213.703 1067581.071 1961362.54 89404.06695 210063.3928 358547.1523 144126.7695 394311.8497 282103.097 149794.3178 96781.26536 416671.2571 172799.5979 323674.0159 157327.0153 778876.1416
Dihydrothymine;Squamolone;L-Cyclo(alanylglycyl);Pyroglutamine 1547341.261 1756179.25 1917853.722 1537403.886 897048.4241 857871.1297 868116.709 707081.8016 637463.442 573210.2327 495259.3859 841844.8097 1811648.7 1953289.069 866505.7876 458064.3649 1406565.068 1572938.216 571359.6752 459602.8658 706665.9636 648558.4588 687024.4118 795161.4713
Methoxamine;Orciprenaline;Isoproterenol 1251255.847 1077948.51 1425798.331 1372971.213 1480936.618 1951022.159 1143206.212 1131603.299 1030342.504 1152900.709 1380477.101 1168525.207 1293316.675 1231371.523 1151981.857 1516854.989 920506.3379 937237.3976 820315.4715 1275535.83 768247.5082 910866.2772 1120460.593 1157717.701
Homoarecoline 1911901.311 1928009.48 1142924.199 923754.6226 988485.3488 1014289.061 1166425.076 1089177.599 1295160.029 1165654.071 1481277.809 872671.6901 866255.3853 1402082.968 1645927.709 1627018.443 1170103.343 900554.3125 1016248.686 1260242.351 1005526.51 942075.7678 861028.05 1059906.17
D-Glutamic acid;N-Acetylserine;N-Methyl-D-aspartic acid;O-Acetylserine;DL-Glutamate;3-(Carboxymethylamino)propanoic acid;N-lactoyl-Glycine;L-4-Hydroxyglutamate semialdehyde 941918.6116 683707.4848 1117324.715 1099741.023 863250.4521 943844.6632 1196845.718 1346190.698 1076021.614 1901420.921 1851764.463 1097707.784 779405.7064 1041747.784 848461.1368 684369.3628 1040386.671 1216752.597 818123.2138 639787.8049 737034.9297 885550.9367 756631.8131 982697.168
Tyramine;2-Hydroxyphenethylamine;m-Tyramine;1,2,3,4,5,6-Hexahydro-7H-cyclopenta[b]pyridin-7-one;2-Acetyl-1-ethylpyrrole;(±)-2-(2-Furanyl)pyrrolidine;4-Hydroxy-2,6-dimethylaniline;Dimethylaniline-N-oxide;Phenylethanolaminium;Tyraminium 1382820.145 743575.0021 1216192.441 1895739.521 1287113.195 1143811.085 1138276.506 643697.3707 991836.3701 664124.3179 1123537.018 1248897.24 1608683.859 1403375.14 1743084.795 1059778.393 852272.8691 1215063.789 1149618.893 619107.9355 699304.2827 675331.1067 959993.4524 792102.6848
2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethoxy-3,4-dihydro-2H-1-benzopyran-4-one 87420.14995 188693.5503 599728.3446 488674.3422 219912.5202 55966.78883 144967.516 111914.2235 108977.4934 24756.76666 25189.69054 127557.0514 520658.8349 991944.064 669960.0996 129888.8636 1893476.764 791062.4872 62235.42201 47290.24436 39115.24548 70775.40898 105546.4117 130013.5387
(2R)-1-O-beta-D-Galactopyranosylglycerol;Dyphylline;Galactosylglycerol 1892371.886 1881183.172 53378.10618 18414.58569 21159.37451 19096.13061 32659.41875 8903.825591 24513.79922 52132.96546 23172.84106 34637.50808 214319.8349 287828.7433 90083.01601 89230.35667 41832.22144 26582.88083 6567.308392 47347.6052 11714.59688 11140.91565 12219.50086 41183.34944
3-[3-(sulfooxy)phenyl]prop-2-enoic acid;3-[4-(sulfooxy)phenyl]prop-2-enoic acid;[2-hydroxy-3-(3-oxoprop-1-en-1-yl)phenyl]oxidanesulfonic acid;(2E)-3-[4-(sulfooxy)phenyl]prop-2-enoic acid;(2E)-3-[3-(sulfooxy)phenyl]prop-2-enoic acid 21676.34333 21629.11957 454635.1983 1015405.881 75175.14045 55059.58993 34448.58767 3731.797964 117589.9594 495141.3664 19944.84824 26023.99473 465728.0199 84484.46078 11201.09312 28213.00513 197481.2846 1866393.801 71799.77614 6902.949629 103478.2007 18203.18929 8078.43462 43682.85405
9,10,13-TriHOME;(9S,10E,12S,13S)-9,12,13-Trihydroxy-10-octadecenoic acid;5,8,12-Trihydroxy-9-octadecenoic acid;9,12,13-TriHOME 17736.31846 17184.74631 40830.64415 24541.8332 34022.08897 17103.77725 215151.291 169745.1529 37288.83266 1865067.758 1319237.18 330002.2981 21851.96499 9359.537834 9254.490148 13710.91078 7549.832433 23948.66636 60814.05673 77977.09065 37505.09407 39068.8357 14368.99099 57209.24481
Glycyl-glycine;Ureidopropionic acid;N-Carbamoylsarcosine;D-Asparagine;N-carbamoyl-beta-alaninate 347850.5425 211347.5311 813748.9985 490486.3125 657951.3607 520476.4052 607036.2563 638695.4181 725693.6805 743216.9168 492847.1252 455342.3493 1861718.581 511373.8733 258746.7811 340870.4581 1228144.067 717723.865 1197881.602 395555.7656 923472.7715 998891.4448 890678.8117 905309.7154
trans-Aconitic acid;Dehydroascorbic acid;2,5-Dimethyl-3-(methyldithio)furan;Dehydroascorbide(1-) 470572.5866 252132.2191 270232.5613 259737.5962 262690.4977 220678.7941 359380.2313 462675.4113 264331.1868 663974.0465 475424.8778 393744.125 1842033.961 313085.0283 222423.7218 352905.1165 455822.7689 201520.3889 272500.4747 275431.1197 388866.5774 338563.2053 282718.5035 381520.0848
Suberic acid;2,4-Dimethyladipic acid;Dimethyl adipate;3-Methylpimelic acid;Diethyl succinate;2-Propylglutaric acid;Ethyladipic acid 329691.9374 193301.9342 90055.64987 146641.8135 563429.7243 395002.8126 600525.7543 137929.6234 103067.2095 419886.853 884806.1673 78301.79369 558654.1346 384572.8141 284259.4031 1832118.668 491982.7338 330471.1004 557547.7502 737401.2548 813886.3138 140906.8435 600790.11 723790.4183
N-Butyrylglycine;Isobutyrylglycine;N-Propionylalanine;Allysine;Methyl aminolevulinate;L-trans-5-Hydroxy-2-piperidinecarboxylic acid;L-cis-4-(Hydroxymethyl)-2-pyrrolidinecarboxylic acid;N-(2-Carboxymethyl)-morpholine;2-Keto-6-aminocaproate;(S)-5-Amino-3-oxohexanoate;(S)-2-amino-6-oxohexanoate 642163.536 381860.6906 1305638.4 979531.7958 335762.6065 192161.7873 892088.1182 185480.5607 195607.944 320940.5576 434649.9082 283120.3317 637338.7508 1685641.026 771627.6985 154925.9033 464858.7989 1820548.003 239433.0706 79916.41561 188665.1759 192164.1337 119910.719 342585.0427
6-Epi-7-isocucurbic acid glucoside 1723608.597 1819331.546 581192.9769 542299.0614 379720.173 483287.5809 455442.1615 431813.8816 519547.2338 472731.8828 376097.729 482108.3233 367102.4825 807308.1413 1041538.212 972178.677 429286.8621 292909.3422 272943.3117 294212.3352 349024.3878 316976.7508 205031.0265 254022.337
Goshuyic acid;Linalyl butyrate;2-Propenyl cyclohexanepentanoate;Linalyl isobutyrate;alpha-Terpineol butanoate;Geranyl 2-methylpropanoate;Isobornyl isobutyrate;Bornyl butyrate;Ethyl (2E,6Z)-dodecadienoate;Allyl undecylenate;Neryl butyrate;Terpinyl isobutyrate 355989.5348 611607.0464 1379138.082 452825.8409 1223657.371 977909.5425 862847.9297 1100073.799 1715456.037 183466.7813 311958.4291 1816314.258 357051.6569 312740.0146 302389.5122 488930.0658 344824.788 615103.1086 803351.8337 489019.675 546317.4331 1089567.811 431212.7672 606885.839
Succinylacetone;Isopropylmaleate;xi-2,3-Dihydro-3,5-dihydroxy-6-methyl-4H-pyran-4-one;Ethyl 5-oxotetrahydro-2-furancarboxylate 1719218.147 1814199.186 564955.054 487265.3689 543353.1094 487375.8978 546698.2967 598210.701 642926.7755 512603.1639 758349.0625 386712.6252 437327.6322 1376637.783 1564026.006 1381376.661 551572.0221 455322.1999 562151.5545 623171.3113 534672.7861 475261.4249 455372.3269 564255.0088
2-Acetyl-3,5-dimethylpyrazine;6-Methylnicotinamide;2-Acetyl-3-ethylpyrazine;7,8-Dihydro-3-methylpyrrolo[1,2-a]pyrimidin-2(6H)-one;2-Acetyl-3,6-dimethylpyrazine 1367804.895 1052220.252 1276052.795 1405795.377 1400322.575 1789831.908 1168115.3 1048126.187 650563.1834 671842.9473 818463.8992 726212.4903 1213342.767 1065462.855 1073011.155 1417274.915 874195.1939 908604.7483 463767.5196 688874.6327 443097.2532 495871.2868 611133.9442 653241.2891
Tetradecanedioic acid;Diisobutyl adipate;Diethyl decanedioate;1-Hydroxypropan-2-yl 2-isopropyl-5-methylcyclohexyl carbonate;2-Hydroxypropyl 2-isopropyl-5-methylcyclohexyl carbonate 1750629.696 1782145.775 489846.49 387971.3508 464190.8591 423409.4766 530532.7322 462086.1221 604321.7733 488753.4901 580821.1065 346599.0188 396025.179 1260158.491 1409927.802 1316760.021 463962.5354 381254.4645 497932.5856 417628.0815 419958.9158 441348.4367 351724.0917 419595.2432
Myristoleic acid;5Z-Tetradecenoic acid;5-Tetradecenoic acid;Heptyl cyclohexane carboxylic acid;Rhodinyl butyrate;1,1-Diethoxy-3,7-dimethyl-2,6-octadiene;Citronellyl isobutyrate;Citronellyl butyrate;Houttuynin;2-Hexenyl octanoate;Rhodinyl isobutyrate;Ethyl (E)-2-dodecenoate;Butyl 2-decenoate;9E-tetradecenoic acid;7Z-tetradecenoic acid;trans-Tetra-dec-2-enoic acid;Tsuzuic acid;Acetaldehyde di-cis-3-hexenyl acetal;delta-Tetradecalactone;xi-Tetrahydro-3-nonyl-2H-pyran-2-one;(R)-14-Methyloxacyclotetradecan-2-one;12-Methyl-13-tridecanolide 286311.0456 619051.0409 686212.2247 169834.1082 752041.1646 734086.5893 624441.1991 1205237.352 1780522.642 49814.41687 123075.4623 1405434.398 220361.198 584575.4445 882337.5597 739465.5137 433237.4567 724604.9626 525245.025 455317.4914 263764.6623 779240.2167 350628.7095 295382.0337
1,11-Undecanedicarboxylic acid;(±)-1,4-Nonanediol diacetate;Menthyl ethylene glycol carbonate 1754161.637 1744161.43 379396.0738 327950.4678 342600.2131 359882.1564 400752.102 418275.0208 454438.4869 470009.1637 744811.9414 302989.8302 296773.1041 1310089.257 1568666.051 1381940.496 382631.142 305907.5534 380637.8093 453377.7656 329983.7601 314317.6607 287538.5585 364942.6882
D-4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid 296115.7081 328549.7245 445809.1024 306640.4043 450041.7676 389120.3709 1739265.945 914506.7187 774116.5796 408132.355 304265.4303 704980.1593 566185.3742 421054.1409 329706.7598 576395.1155 622241.0106 558393.8666 1447618.233 778982.9438 1065457.719 1055461.361 580314.3539 1089505.555
Saccharopine;L-saccharopinate(1-) 730858.9669 105459.1775 353120.4943 328516.48 92703.43388 22241.57957 163317.8399 86078.8208 42042.55922 45123.41444 32770.36269 103775.912 1734726.31 331733.4735 232112.6768 33918.72578 956187.6875 499528.7718 76511.29692 36035.0533 76255.61717 69713.14063 49735.50143 108799.0017
3,4-Methylenesebacic acid;Allixin 1725560.309 1713907.025 577456.7139 477284.8493 534127.7624 483014.2779 569438.9986 588677.5462 600280.5065 787125.5618 763250.4413 479425.7705 461882.027 1181737.522 1221296.817 1203567.988 545872.4288 421877.151 452753.169 480895.6601 502367.0886 410032.8527 346148.2184 489941.0515
{[(2E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-yl]oxy}sulfonic acid 1166374.393 1120659.997 1521741.642 1181831.108 1595784.069 1493466.807 1111971.357 1379478.195 1126759.572 268093.0539 1044398.313 829137.4522 1692258.858 1390440.113 1366816.577 1361681.267 1565195.381 1673630.088 878686.0315 1003636.777 986220.9948 829507.4627 996743.1999 921641.9121
N,N'-Diacetylhydrazine;N-Nitroso-3-hydroxypyrrolidine 1682216.785 564008.9717 839752.0369 1070686.261 356887.9456 308630.1422 671167.631 416882.2848 314337.0434 425807.6958 607639.2878 511649.3217 879051.528 784585.9336 691677.9101 298596.1243 656858.6521 854364.9893 266816.3439 229789.3778 259766.8405 280007.1751 210087.3391 407365.5901
Diisopentyl thiomalate 1634390.42 1387349.021 710195.543 484082.4975 452660.7558 427691.5101 491268.8345 474417.9825 386395.2233 720027.5158 329749.5136 322806.9302 380937.7506 717919.9401 197838.554 258143.7527 367667.6091 325871.5426 71130.24438 23032.57832 303607.8096 146889.301 19056.47524 187344.4119
7-Epi-12-hydroxyjasmonic acid glucoside;beta-D-Glucopyranosyl-11-hydroxyjasmonic acid;2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1-xyloside 175134.2935 101078.0599 909673.9829 874045.3709 247094.3824 164301.8954 575610.751 413151.6177 582468.7625 1517826.58 841805.5338 222672.7037 733560.3686 839222.8848 638779.9529 139443.6047 1163367.753 1631824.554 403418.0525 148378.687 172044.5618 386147.951 120736.9701 400948.051
Urate radical 821564.5607 1070338.14 1191159.33 1142211.097 1086812.824 1416149.084 1589355.607 1171062.033 1398533.888 438494.4089 1015340.884 1469746.007 1124275.131 929509.7945 1025436.634 1144787.742 1170654.384 1244962.499 1169060.53 1467550.528 1428778.207 1308501.072 1062115.388 1159414.032
N(6)-Methyllysine;Bethanechol;Putreanine;Isoputreanine 1583564.867 997271.5335 1176208.506 1158140.508 1092592.437 1064713.315 1195408.161 1392584.433 1408768.299 1373394.075 694575.8157 976386.3272 1209128.561 1220718.128 553147.4398 736677.2213 1155525.531 1040031.622 905274.5846 528120.0151 1099020.169 1158638.099 532924.0917 874540.5068
Heptanoic acid;Propyl butyrate;Ethyl isovalerate;Ethyl pentanoate;Methyl hexanoate;Propyl 2-methylpropanoate;Butyl propionate;Pentyl acetate;Isopentyl acetate;Ethyl 2-methylbutyrate;Isopropyl butyrate;2-Methylpropyl propanoate;2-Methylhexanoic acid;5-Methylhexanoic acid;Methyl (±)-2-methylpentanoate;Methyl 4-methylpentanoate;cis- and trans-2-Isopropyl-4-methyl-1,3-dioxolane;2-Methylbutyl acetate;(±)-2-Pentanol acetate;Hexyl formate;Isopropyl 2-methylpropanoate 771348.7759 982965.8187 1557106.886 876134.4342 1189933.384 1163304.355 908626.3273 1014499.79 1064331.844 678069.2355 981585.0917 803256.4746 1394731.035 897989.5954 1031490.94 881256.9068 864522.4847 933221.7424 865813.775 1172734.792 843784.9312 859670.2013 1009281.486 570886.1387
Chenodeoxycholic acid;Deoxycholic acid;Ursodeoxycholic acid;Hyodeoxycholic acid;Isoursodeoxycholic acid;Allochenodeoxycholic acid;Isodeoxycholic acid;3b,12b-Dihydroxy-5b-cholanoic acid;Murocholic acid;3b,12a-Dihydroxy-5b-cholanoic acid;3a,12b-Dihydroxy-5b-cholanoic acid;7a,12b-dihydroxy-5b-Cholan-24-oic acid;Allodeoxycholic acid;Isohyodeoxycholic acid;7b,12a-Dihydroxycholanoic acid;3b,7a-Dihydroxy-5b-cholanoic acid;3a,7a-Dihydroxycholanoic acid;3b,12a-Dihydroxy-5a-cholanoic acid 16909.77154 16383.90373 31518.57728 11094.11899 73033.99894 27820.54874 105741.8451 124304.3027 170865.0111 26262.06811 38947.09239 1533915.386 10777.021 24182.06915 12792.86109 24824.09364 67631.67355 65573.00782 48549.1279 2153.304243 4990.666702 52589.06123 2062.124427 42894.26021
5-Hydroxyflavone;5-hydroxy-7-methoxy-2-phenyl-8-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-4-one;3,4,5-trihydroxy-6-{4-[(2E)-3-phenylprop-2-enoyl]phenoxy}oxane-2-carboxylic acid;3,4,5-trihydroxy-6-{3-[(2E)-3-phenylprop-2-enoyl]phenoxy}oxane-2-carboxylic acid 1524258.749 49422.06113 465485.6989 1076035.284 32435.89075 9029.973662 142466.8023 36703.89855 11274.85784 19751.74378 19381.13438 30343.70909 438919.4241 103450.3747 109346.6419 12061.57337 213574.8731 262388.3157 11890.57714 7817.993413 8804.163499 10099.28422 7647.207305 13565.4955
2-(hydroxymethyl)-6-(2,4,6-trihydroxyphenyl)oxane-3,4,5-triol;Phlorin;Glucosylisomaltol 11718.98263 10216.94748 15348.28055 14250.35993 11828.83474 10414.57402 11501.39124 10971.68098 11297.66579 1510276.284 190900.8326 15478.03051 15413.56442 13821.09931 14212.58016 10096.76194 19393.42394 17555.48257 11173.21171 9563.279448 10484.09385 11543.08995 11309.11053 10766.714
2-(3,4-Dihydroxybenzoyloxy)-4,6-dihydroxybenzoate 597170.8357 207498.4072 1150389.359 766476.8496 65892.65133 478497.6207 342187.7722 277915.0073 9401.466386 86017.32922 62336.17008 127163.151 1048313.192 1030065.056 791478.4822 65943.68507 1001792.813 1485691.404 58752.41869 5559.956936 8613.843094 24453.40095 511299.5946 95797.10471
5S,6S-epoxy-15R-hydroxy-ETE 249640.0695 229928.0825 1457081.685 974258.0001 712266.6213 1115874.382 319131.3269 630754.2985 547635.5881 342610.721 1075228.09 332917.403 478898.0203 225997.6058 230104.7533 207525.6298 364152.9497 704843.7855 364830.2625 592366.0918 289720.5007 259633.8109 464099.3363 337007.2847
N2,N2-Dimethylguanosine;1,7-Dimethylguanosine 782197.882 595012.7776 1107406.067 673698.2142 701598.7011 618389.4938 729882.684 716095.0216 871063.3576 1121696.823 942996.0662 721096.7435 1132792.995 837388.13 1456970.574 1142028.651 1097739.457 975068.5157 839205.4394 703565.9677 545035.6283 736631.21 997212.0355 797901.5798
Cysteine-S-sulfate 75053.93306 39545.14499 7320.564019 29516.52694 679668.492 461675.014 65954.00813 312613.8365 249917.9301 406355.3868 1446181.358 815370.6393 4556.472185 3691.5734 3337.828959 222238.5504 3356.72434 3106.651551 131220.7809 584935.7649 73707.79644 188553.6017 77902.49082 356686.4057
Hydrocinnamic acid;4-Ethylbenzoic acid;2-Methoxy-4-vinylphenol;2-Phenylpropionate;4-Coumaryl alcohol;Benzyl acetate;3,4-Dimethylbenzoic acid;3-Methylphenylacetic acid;2-(3-hydroxyprop-1-en-1-yl)phenol;3-(3-hydroxyphenyl)propanal;3-(4-hydroxyphenyl)propanal;o-Tolyl acetate;Ethyl benzoate;2-Ethyl-4-(2-furanyl)-2-propenal;3-ethenyl-5-methoxyphenol;2-hydroxy-3-phenylpropanal;2-(2-Furanyl)-3-methyl-2-butenal;1-Phenylethyl formate;3-(2-hydroxyphenyl)propanal;p-Tolyl acetate;2'-Hydroxy-5'-methylacetophenone;4-Ethoxybenzaldehyde;4-(3-hydroxyprop-1-en-1-yl)phenol;Methyl phenylacetate;2'-Methoxyacetophenone;3-hydroxy-3-phenylpropanal;(3-phenyloxiran-2-yl)methanol;2-Phenylethyl formate;4-(prop-2-en-1-yl)benzene-1,2-diol;4'-Methoxyacetophenone;3-[(1E)-3-hydroxyprop-1-en-1-yl]phenol;3'-carboxy-alpha-chromanol;4-Hydroxy-3-methylacetophenone 1209800.353 1402064.869 959425.8416 723364.3164 783889.985 737172.3417 797401.1107 759473.5807 787320.6937 788203.5589 1162841.224 565633.5986 658352.7232 1044398.037 1071099.297 1067261.362 738759.1276 551272.2989 574876.4591 741378.7745 623172.2416 543317.4156 536528.4316 708850.6372
Methylphosphate 236645.7285 56597.95251 937279.4742 536862.0391 101719.7654 2423.361193 114806.5107 16767.84427 16507.91981 61390.93627 14632.30695 151223.8112 886247.6429 968612.2545 1032584.569 4412.246167 1394122.984 1398261.729 69688.84936 2621.80919 22474.36019 29574.68051 103207.5483 136885.0332
Acetyl citrate 276229.0618 305246.6543 549477.4695 399762.4274 536886.5169 359084.7193 995832.0761 630790.3909 670696.5302 543163.5109 592827.7925 1383241.659 262659.0688 254296.2104 261966.4694 665906.4222 224216.1819 259650.1635 871815.649 559218.8593 433246.7486 702397.736 414539.8742 735595.313
Neuraminic acid;N-(1-Deoxy-1-fructosyl)serine 220843.666 360125.3139 822257.3905 1378617.327 513019.7873 186037.0864 351881.6311 281965.225 288469.6954 173913.3976 166148.543 311988.8053 502278.9545 548650.8182 641518.8562 313427.8756 1194481.99 717517.6645 153389.4235 98513.23238 143553.4676 180921.7396 141463.843 178274.8439
Succinylcarnitine;Methylmalonylcarnitine;O-methylmalonyl-L-carnitine;Epidermin;Camelinin;Lotaustralin 106449.7959 89047.46826 319601.7854 397972.8961 191993.4596 54064.37579 208646.5336 137861.0309 125306.6459 375909.6551 551780.2056 256640.96 1375537.186 285319.2865 262395.6203 49893.77765 1231426.213 223311.982 102521.7788 70814.90539 114965.3385 121616.1687 84781.57994 226645.2055
1H-Indole-3-carboxaldehyde 473271.4133 519589.5751 662369.9346 805052.6349 1002528.915 432566.6819 1371913.342 1282080.292 536667.2517 1322576.761 514393.1859 254847.5276 642099.1147 404631.5417 136023.6523 214994.7091 545226.4214 738172.1177 565918.5741 275461.7326 689795.0116 907613.5316 100908.5436 994685.5139
Aspartyl-Histidine;Histidinyl-Aspartate;D-erythro-L-galacto-Nonulose 530790.4348 403809.4678 631058.6895 544930.6457 466853.6393 393978.0022 554922.0706 383329.8622 468383.0111 1362797.875 1000798.985 451218.8165 545929.5273 1141866.663 814680.8706 549302.7491 941481.8955 775383.54 649697.1103 728646.9986 410146.148 739342.5973 327099.4757 1364199.822
L-3-Aminodihydro-2(3H)-furanone;(S)-2-Azetidinecarboxylic acid;1-Aminocyclopropanecarboxylic acid 474034.4285 389037.6032 1197231.246 854349.3054 757988.4675 812698.4649 816709.4526 841277.0797 732575.1626 1360490.316 491347.9329 502620.7923 1094253.024 1046566.477 1181791.232 785369.6832 1299446.722 1301277.811 544199.3317 509183.3591 457849.1765 617589.5606 616744.3003 517840.0874
6-Hydroxypentadecanedioic acid 1354123.187 1285501.736 370134.3446 240921.1683 276735.5709 212662.7409 186670.9222 196785.116 187636.1131 300797.188 172939.6232 160422.3012 210714.5637 455091.1933 233535.5436 221498.0561 189375.0902 169517.6331 95395.15765 78388.02131 128075.1861 105465.0969 56385.48023 113022.0626
(2-oxoethoxy)sulfonic acid 1317259.42 1222711.113 1042464.445 1065283.635 971777.537 927808.4812 1144669.386 1136210.096 954517.3457 1008328.758 1352452.021 1017331.382 806782.3071 1088147.729 807490.0611 820267.2027 889478.4749 939201.4853 846496.1175 703629.0416 868699.6365 862745.3069 757747.1794 971830.1495
5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylate 209572.5501 106464.8591 1193198.939 1349975.935 343148.6157 19389.20363 855047.7639 426584.4208 172614.595 357807.8896 315908.834 286643.2017 1137847.304 373375.0099 325114.4199 120545.8701 519776.0769 734197.766 57602.98008 334745.5812 411111.886 327664.0256 97815.0263 664722.9927
R-Propyl 1-propenesulfinothioate;R-1-Propenyl 1-propanesulfinothioate;S-2-Propenyl 1-propanesulfinothioate;S-Propyl 2-propene-1-sulfinothioate 1070970.862 392555.0185 1108080.331 1338946.942 395383.8263 297152.8906 694820.1652 517686.8803 1055581.262 161601.6046 279523.8587 633627.0122 1242815.831 652009.1761 997962.2087 344366.3216 1120082.855 559052.6007 745105.1447 240425.3834 459229.1332 836795.4873 665635.6014 457200.2091
Alpha-Linolenic acid;Gamma-Linolenic acid;Calendic acid;Linolenelaidic acid;Punicic acid 11496.05441 23970.5941 54021.6336 7808.843493 84156.16127 92939.44925 119653.3145 443909.2073 1325944.937 12951.36581 58953.83267 308453.3887 24451.25875 37887.01089 104974.2247 83906.57072 67185.68799 72549.23996 92551.86346 85514.07117 18299.21614 186492.5117 141428.5759 50897.84895
4-Acetoxy-2-hexyltetrahydrofuran;3-Oxododecanoic acid 576645.0908 570496.4123 694871.4026 418922.6088 500516.8638 556453.8913 558829.0907 442069.5949 637975.2156 315108.4455 950134.4239 953021.0956 414376.7377 280129.1542 345747.3918 386853.951 273965.2341 426677.8187 1319074.163 493073.5158 624824.5516 1314626.983 405980.4035 1058043.287
Isocitric acid;Diketogulonic acid;(1R,2R)-Isocitric acid;2,3-diketogulonate;D-threo-Isocitric acid;D-Glucaro-1,4-lactone;2,3-Diketo-L-gulonate 9036.754508 11338.01122 19593.89907 22070.55095 19173.13548 14588.06097 14772.31792 267453.784 1313641.921 113126.0161 43801.66986 47692.25927 62530.03614 83541.12749 38187.5439 18274.24707 21327.30036 30026.08 32174.01295 45986.88346 93374.75294 35317.86532 36507.44252 30263.37815
Prolylhydroxyproline;Pyroglutamylvaline;Prolyl-Hydroxyproline;Tetraacetylethylenediamine;Hydroxyprolyl-Proline 1289366.904 1229054.006 1290127.517 749779.8515 857709.1654 982289.29 719839.427 644464.4534 1124609.348 735664.1662 1298697.736 732141.7402 577470.8623 492153.6731 358002.8338 453960.6704 713860.4807 592189.7771 679799.3598 603024.344 877466.7746 1193123.67 830258.517 877214.4091
Ribothymidine;3-Methyluridine;Imidazoleacetic acid riboside 698534.0172 232020.2475 344834.124 371619.4568 425807.4543 343727.9248 557671.4019 301319.8164 314766.8744 193248.6977 1289417.885 416458.4262 904655.9778 717110.0036 737377.7143 897130.7176 398757.2229 497295.2487 176813.7569 392986.0249 245749.1946 185522.1871 427151.4057 358852.4904
L-Allothreonine;4-Amino-3-hydroxybutyrate;Aminoethoxyacetic acid;Hydroxyethyl glycine 697548.7144 475861.4979 941971.5076 685931.9541 714581.4935 804404.9914 1262043.056 894101.2984 662571.5999 1153144.181 611611.5865 487115.709 1111448.447 611968.661 814404.4484 791198.2274 479159.0707 698460.277 540082.6685 538092.3722 437913.2195 483724.5267 589868.4201 488818.4205
Ethyl glucuronide;6-ethoxy-3,4,5-trihydroxyoxane-2-carboxylic acid;(3,4,5,6-tetrahydroxyoxan-2-yl)methyl acetate 230996.9924 244463.993 256248.3097 260236.9864 210815.1825 223048.1195 271455.0514 12511.50631 53664.26749 1253491.701 63447.9814 43385.65249 18600.81722 239067.0978 289586.9081 231826.5883 85723.68681 65289.66982 80568.58214 210929.58 186118.8434 239022.7657 26494.17147 243817.0984
1-Isothiocyanato-7-(methylthio)heptane;N-acetyl-L-2-aminoadipate(2-) 160950.1554 49020.29227 146252.4497 152532.8063 80238.66758 61767.79488 70517.19962 59212.64834 45033.60371 73884.52975 77516.72742 49534.51213 1252622.236 182045.5135 117502.402 28834.51992 221400.8958 139496.6814 31633.201 17756.84737 48516.4981 32133.39071 26253.09998 63340.04589
Ne,Ne dimethyllysine 865447.7733 970966.5626 974221.082 312484.4718 922096.8336 986147.151 640622.037 1248200.222 882333.2849 772095.4256 524116.0716 783790.883 552173.358 716730.5006 508546.7188 620169.888 656787.4012 618503.6949 828571.0505 626631.1541 769716.8427 757122.9197 654687.3564 623089.7445
Valdecoxib 4852.591042 2187.47029 28209.28699 1246812.343 2190.153874 1964.179312 8433.375789 1815.128977 1847.064027 3433.35333 53223.0106 6777.828532 66948.94592 12570.13883 20001.56755 148497.2111 79472.04075 112530.1649 1754.53751 1702.753813 2044.556251 1725.104123 1971.594829 2294.412076
Hydroxylated lecithin 637354.0275 322886.5135 630386.2709 671990.1273 540177.3425 138669.8179 1238128.596 789967.5251 411511.6553 462423.2214 647268.2674 453182.3267 462080.3411 447782.4998 409435.189 568236.8861 462552.9516 462585.3108 187730.1419 298980.8955 298606.8331 414719.9681 272777.8046 872915.6829
5Z-Dodecenoic acid;1,1-Dimethoxy-3,7-dimethyl-2,6-octadiene;Ethyl 2-decenoate;Citronellyl acetate;Hexyl 2E-hexenoate;cis-4-Decenyl acetate;(±)-Menthyl acetate;[(3,7-Dimethyl-6-octenyl)oxy]acetaldehyde;Allyl nonanoate;1-Ethenylhexyl butanoate;Methyl 9-undecenoate;2-Octenyl butyrate;Ethyl 4-decenoate;Hexyl 2-methyl-3-pentenoate;Rhodinyl acetate;(±)-Citronellyl acetate;2-Hexenyl hexanoate;Hexyl 2-methyl-4-pentenoate;Methyl 10-undecenoate;11-Dodecenoic acid;cis-3-Hexenyl hexanoate;trans-Dodec-2-enoic acid;3-Heptyldihydro-5-methyl-2(3H)-furanone;7-Hexyl-2-oxepanone;5,5-Dibutyl-4,5-dihydro-2(3H)furanone;2,6-Dimethyl-5-heptenal propyleneglycol acetal;xi-5-Dodecanolide;xi-Dihydro-5-octyl-2(3H)-furanone 515803.0436 620827.5797 592843.6183 296155.4827 637409.3906 717472.2057 471731.8564 544231.2025 763882.9998 204844.7606 292533.7909 1220013.179 367257.5036 295829.7964 357081.322 389721.7418 238012.805 458440.188 569393.4626 417547.1249 405764.1935 655825.532 351007.6268 434763.749
Diethylcarbamazine N-oxide 1209249.425 626442.4973 6336.232498 5176.333388 4105.706847 1315.731343 11525.24021 1124.208115 1718.931503 3698.034985 9441.281339 23084.17355 479067.1852 102725.9783 9601.079879 15908.97279 45524.50815 1411.740872 1083.110811 2524.367671 1195.691563 2429.46923 2638.886106 10692.51849
2-Phenylethanol;1-Phenylethanol;1-Methoxy-4-methylbenzene;4-Ethylphenol;2,5-Dimethylphenol;3,4-Dimethylphenol;2,6-Dimethylphenol;3-Ethylphenol;4-Methylbenzyl alcohol;2,3-Dimethylphenol;1-Methoxy-2-methylbenzene 1062347.888 1208888.381 821864.4717 585029.2787 672714.7178 604953.6791 694109.5772 627458.5657 668128.7554 682594.1958 963701.1793 473490.9356 553882.8134 878677.5875 902247.4748 947868.5241 602940.0587 457311.2669 484900.3484 606716.5919 512008.9616 448616.6982 460470.6305 582260.4312
{2-hydroxy-5-[3-(4-methoxy-1-benzofuran-5-yl)-3-oxopropanoyl]phenyl}oxidanesulfonic acid 21504.18979 12202.52745 24261.53106 17614.15868 26029.85932 29359.50053 73024.54774 72504.23925 85992.49636 1199770.141 171980.2905 109800.9445 13386.80044 5977.500213 6870.867016 21948.75657 13419.96866 5852.074685 33351.55834 14391.40422 33631.08316 58788.40859 14795.33531 47978.01773
1,3-Dihydro-(2H)-indol-2-one;5-Hydroxyindole;Indoxyl;(±)-2-Hydroxy-2-phenylacetonitrile;4-Hydroxybenzeneacetonitrile;2-Methyl-4,5-benzoxazole;Mandelonitrile 670468.6438 649565.9861 726313.538 736243.4482 936478.0293 511528.3546 1161489.257 777170.8375 1190920.945 980116.6716 406415.1749 371102.9322 644326.4857 614603.5378 154211.0976 179119.8923 1010751.693 587545.2063 715169.1116 138566.1254 698604.0465 917994.7095 181884.4416 866725.2736
N-Acetylhistidine 320621.1121 262532.3163 565156.5206 854891.6775 327834.2583 242921.9871 741355.8719 768867.8484 487703.139 546436.8367 726682.438 589647.9881 373090.8654 1184846.488 776141.6362 373662.2894 942950.0807 1154345.677 340158.3821 298613.2394 378279.7854 433274.7863 427680.3115 542857.7246
N-Undecylbenzenesulfonic acid 1666.687534 12064.4463 94455.23195 122262.2364 16879.87553 57313.0274 75620.87755 177378.8262 357240.9482 46835.72002 117467.82 43306.13552 12909.72671 7338.07244 1178461.745 16835.76451 66023.14465 44912.35386 26444.10987 27287.97466 16762.82905 66809.47334 104974.2697 67538.81112
Glyceric acid;D-2,3-Dihydroxypropanoic acid 1110892.11 552207.1715 843082.581 902854.2303 365130.5536 494980.0228 840015.3488 825892.745 477213.6283 1173834.389 816842.1317 567434.939 1003193.016 797403.386 475598.013 422822.7023 886160.5361 692828.3132 997652.7482 788779.2323 747370.7594 707042.4085 910302.9045 655213.644
1-Phosphatidyl-D-myo-inositol 2206.589997 1466.149723 2321.927149 12693.41176 1489.322172 1315.984429 1515.135827 1371.218268 1250.225754 1564.616614 1363.621537 9367.523114 4257.492776 1936.226855 2044.958396 1171281.512 3464.541498 2769.749764 1165.189952 991.3567732 1110.88297 1198.035437 1135.229665 1231.828844
L-cis-3-Amino-2-pyrrolidinecarboxylic acid;D-1-Amino-2-pyrrolidinecarboxylic acid 377242.8706 358629.476 810588.2314 506855.4464 404522.579 303470.6457 534796.5714 506556.3258 347568.8301 692979.9466 488905.3478 395816.0537 695892.4701 979052.1157 717377.8989 444754.4303 1167130.97 910731.1175 264686.1405 341634.1909 243815.5051 310594.0718 400172.7206 330983.4733
[1-(4-methoxyphenyl)-3-phenylpropoxy]sulfonic acid 755993.7977 881853.7992 1085007.901 895803.3368 763444.2641 858145.7108 1148098.137 984500.2764 1071912.141 874996.8249 776138.6945 908904.251 782964.7515 901022.6854 966586.0522 806011.5591 973414.4518 891969.5789 1081747.57 1000699.159 1045664.876 1082425.516 972181.7787 921626.2958
Isovalerylglycine;2-Methylbutyrylglycine;3-Dehydrocarnitine;N-Acetylvaline;Valerylglycine;Betonicine;5-Acetamidovalerate;Methyl 5-(hydroxymethyl)pyrrolidine-3-carboxylate;Calystegine A6;Turicine;Medicanine;Calystegin A3;Calystegine A7;4-Hydroxystachydrine 347905.9238 236789.8361 974617.3318 728609.1232 247527.4397 107309.009 855390.3824 383092.3414 288700.1173 362361.5602 771428.398 396695.2397 436671.8872 1145019.142 755073.6986 452173.9979 546576.8741 935157.462 151209.1522 171852.2548 171618.0443 190479.2315 236385.9663 324553.0695
L-Menthyl acetoacetate 441082.1111 420961.6996 705991.1377 378561.5275 536379.0788 526317.0264 569802.616 510844.9144 883430.2095 362933.3156 805533.271 1139348.151 302352.0036 106736.544 139890.2627 223526.7594 189828.3446 284321.7258 852715.1378 368833.7443 553022.6295 1064487.128 262340.5355 831808.7818
6-Hydroxy-1H-indole-3-acetamide 10582.05929 22557.75249 52982.29553 139994.9837 146579.4983 9074.653107 72017.7021 208866.9797 40098.74811 866862.7427 1139150.668 44623.70411 50351.90097 10370.97383 14690.8646 30671.23937 13836.37994 103244.3792 22627.43611 141990.8115 50077.32094 59713.59715 10074.84845 85779.72645
Acetylglycine;L-Aspartate-semialdehyde;L-2-Amino-3-oxobutanoic acid 1131499.404 452204.9123 682558.013 540828.686 297812.7346 593332.5503 553933.5137 499278.4787 546609.985 472207.4125 451645.223 613619.8735 231285.1711 281709.1753 372547.1561 339849.1572 362066.1911 486176.825 548278.5073 282964.561 692935.2659 752866.7801 332352.6528 540938.3077
Pyrophosphate 215364.7027 33524.48708 320554.3106 1124132.359 51616.36758 11727.16596 310932.3074 84719.12404 108117.6095 867973.4102 1091062.118 213243.773 545704.6455 132588.7372 285024.9617 56654.98024 748659.749 399789.9464 98433.35905 78750.20607 103915.1931 187445.697 119923.4956 384264.5638
{2-hydroxy-5-[(2E)-3-phenylprop-2-enoyl]phenyl}oxidanesulfonic acid 658648.1484 1120296.096 550720.1502 224171.8218 783641.795 1123758.061 655470.5863 1094150.915 765997.3543 12910.83205 229085.9902 854988.9797 405344.9634 510916.628 443508.681 938669.9091 425546.7252 326041.0081 871792.8292 782142.205 916598.8484 842988.5211 1059733.342 437232.9539
2-O-Methylascorbic acid;5-(Methylthio)-2-[(methylthio)methyl]-2-pentenal;3-Dehydroquinate;2-Hydroxy-2-(2-oxopropyl)butanedioic acid 451053.1354 394432.8798 504763.1714 463464.1902 503882.1982 417947.9291 677697.4334 623118.0104 683514.3325 857283.0793 1123390.996 458607.4789 514273.9978 723068.8694 778277.4886 450193.2405 738956.9755 728358.7225 855602.2787 574971.2047 609445.919 831623.4036 728833.9859 841371.5597
Docosahexaenoic acid;Grifolin;Retinol acetate;Neogrifolin;(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate;(Z,Z)-2-Methyl-5-(8,11,14-pentadecatrienyl)-1,3-benzenediol 1832.499375 2382.146286 10619.33486 2254.857421 10425.0233 25387.1152 34690.33395 192939.6645 1113981.644 6351.541198 14669.54993 21311.13314 1952.587313 1837.310165 11889.8807 2260.120523 25220.44924 9077.575426 25202.62178 8170.421213 3001.135474 83386.04522 35194.91692 12871.79959
Benzoic acid;4-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde;3-(2-Furanyl)-2-propenal 91326.3751 90330.73167 181150.2189 184748.6033 192965.1935 92935.04553 380699.9407 735950.5151 145129.5461 1113944.439 619065.2081 133813.8251 148979.8311 78841.81566 72940.53852 102144.7304 75532.48019 157907.7233 48977.53984 89967.0419 65781.41698 121015.5594 81691.1176 183945.3715
Hexanoylglycine;N-Acetylleucine;N-Acetylisoleucine;Isovalerylsarcosine;Isovalerylalanine 313456.184 219238.1836 541694.8713 487547.6136 488799.4511 375870.1046 969103.4321 1112470.643 471350.8945 1028852.94 459714.6494 694250.9868 357854.6021 672725.3161 556161.9136 501283.0941 540582.6799 680155.3869 242504.1436 272890.3044 325344.6184 324950.8076 506668.5914 400653.5854
3-Hydroxycapric acid;2-Hydroxydecanoate;2-Hexyl-1,3-dioxolane-4-methanol;2,6-Dimethyl-7-octene-2,3,6-triol;Ethyl (±)-3-hydroxyoctanoate;cis-p-Menthane-1,7,8-triol;(1S,2S,4R,8R)-p-Menthane-1,2,9-triol;xi-5-Hydroxydecanoic acid;(1R,2R,4S)-p-Menthane-1,2,8-triol;7-Methyl-3-methylene-1,6,7-octanetriol;(1R,2R,4R,8R)-p-Menthane-2,8,9-triol;9-Hydroxydecanoic acid;2-Hexyl-1,3-dioxan-5-ol;(R)-3-Hydroxydecanoic acid 369098.8752 411607.778 418886.0049 338305.44 531075.0301 403125.2046 396842.6266 405531.0659 441946.565 373061.5621 569430.6334 773322.9481 150376.1088 240133.1023 282325.8132 353087.0888 249590.1941 427281.4069 1111492.462 434274.0537 548402.2332 1074102.861 358561.0321 789319.6436
Polyethylene, oxidized 1104756.834 1010229.02 487421.3768 410450.567 444085.4537 401276.0997 462825.1934 427996.5099 494241.0733 471624.9747 479672.7296 385899.3184 367640.9992 717626.3629 713302.0617 692370.8514 454919.3345 349604.6466 331324.0877 329799.8633 366115.2739 319683.9943 219993.5656 357454.1372
Pseudouridine 790727.2286 748490.6827 994563.2605 740444.2109 736745.9223 838343.6764 783519.9606 925846.1207 948074.9233 896985.1625 1090670.069 945600.7539 515984.6284 659427.1626 523844.9179 582253.6107 793534.6304 520255.8913 825042.1001 581623.3972 762648.9443 881207.7556 700437.8571 812844.3593
N-Acetylarylamine;5-(2-Furanyl)-3,4-dihydro-2H-pyrrole;2-Acetyl-4-methylpyridine;4-Acetyl-2-methylpyridine;2-Acetyl-6-methylpyridine;2'-Aminoacetophenone;2-Aminoacetophenone;2,3-Dihydro-1H-pyrrolizine-5-carboxaldehyde;4-Acetyl-3-methylpyridine;2-Acetyl-5-methylpyridine;2-Phenylacetamide 420816.3548 316411.6964 537580.8709 477658.6937 450092.3044 371425.7554 949762.6888 1009476.709 583027.3155 1008191.177 592132.2469 1089218.347 535556.1295 709199.0139 680851.2569 680467.9801 839765.92 522504.7394 443991.6004 538658.8063 374287.851 503891.0593 805136.3311 516833.6903
Diacetyl;Methyl acrylate;Gamma-Butyrolactone;Isocrotonic acid;But-2-enoic acid;Ethenyl acetate;Oxolan-3-one 215695.5843 182092.6243 233628.7794 190724.2698 201760.8635 246921.8215 291151.3104 250188.0554 321259.9905 1087459.445 430205.7497 303497.5262 176461.8542 162636.1248 154140.5912 181126.0136 205615.7783 157428.038 229995.0292 160803.3431 214070.64 264178.4565 174882.0157 251395.206
Diacetyl;Methyl acrylate;Gamma-Butyrolactone;Isocrotonic acid;But-2-enoic acid;Oxolan-3-one;Ethenyl acetate 501433.652 444870.6887 1075682.94 812599.8213 554796.4089 519498.5618 763538.5732 772916.427 746212.8878 1079255.499 689682.9459 633253.6135 618867.0738 932372.3759 825716.0802 550110.0406 927470.7549 991786.8342 672524.3917 623088.1553 705595.2305 735523.1327 699565.1883 670162.7932
N-Glycolylneuraminic acid;NeuNGc 384174.1263 132122.0287 656645.6681 718925.1709 276891.9347 102588.7892 296816.2612 163663.9477 292372.871 967130.8789 1011808.652 297631.5498 821333.8561 429461.0278 466852.6249 240284.0543 1077503.727 843239.4221 225710.6548 148352.5894 204608.1014 233813.9179 195130.6354 406645.0417
N-(1-Deoxy-1-fructosyl)tyrosine 187856.4585 276158.7246 471234.095 455179.854 632529.9945 158925.0088 423142.2159 523274.7244 354284.271 159469.854 102579.2588 479768.1339 707041.2862 830649.207 546648.4178 725258.1399 1064127.517 701088.5115 180533.3545 245276.4371 283759.0184 244286.7759 321387.2521 180009.6327
Butyramide;4-Aminobutyraldehyde;Morpholine;N-Ethylacetamide;2-(dimethylamino)acetaldehyde 257758.7738 168093.4329 431440.978 411927.3738 174618.74 251765.1195 211568.529 143079.2345 156540.0808 151025.1961 156190.723 201820.0391 312679.0903 137428.5063 1062390.234 177474.7123 199349.1947 188335.1612 131842.3812 107973.098 106861.6413 103773.6836 107473.9702 225889.5176
Pyrrolidine 470077.4744 360109.8706 658402.1902 602953.9804 643465.9651 537206.4436 1047912.259 989448.1324 571750.2318 963786.4117 688988.252 622006.5245 893777.1728 798118.1347 864293.7854 880789.1301 941149.2559 899072.489 440467.7379 565259.4351 377621.342 403996.3792 798649.5587 451516.3495
Undecanoic acid;Hexyl valerate;1,1-Dimethylethyl heptanoic acid;xi-8-Methyldecanoic acid;Methyl decanoate;Butyl heptanoate;Nonyl acetate;Ethyl nonanoate;3-Methylbutyl hexanoate;Hexyl 2-methylbutanoate;Octyl propanoate;9-Methyldecanoic acid;Pentyl hexanoate;Isobutyl enanthate;Hexyl 3-methylbutanoate;Heptyl butanoate;2-Methylbutyl hexanoate;Propyl octanoate;Heptyl 2-methylpropanoate;2-Hexyl-4,5-dimethyl-1,3-dioxolane;Octanal propyleneglycol acetal;6,6-Dimethoxy-2,5,5-trimethyl-2-hexene;7,7-Diethoxy-3-heptene;4,6-Dimethylnonanoic acid 671007.1655 863465.9642 1011784.936 477676.719 655322.444 609797.6448 610032.1158 650221.4179 724757.4348 289564.0576 398378.4229 600544.4125 607177.9794 783918.4693 842338.5204 770425.1075 483671.4383 563380.262 606649.0129 640195.8793 465594.5557 498248.2299 503925.4691 345094.0066
Maltol;1,2,3-Trihydroxybenzene;1,3,5-Trihydroxybenzene;Methyl 2-furoate;4-Hydroxy-2H-pyran-3-carboxaldehyde;5-Methylfuran-2-carboxylic acid;5-Hydroxymethyl-2-furancarboxaldehyde;(Z)-Tamarindienal;benzene-1,2,4-triol 500052.8914 461062.4159 891025.7057 806878.678 483899.2254 544554.2827 648794.055 588659.1299 653862.7455 973826.1776 611446.2945 692772.4719 815767.6831 948366.8472 884200.5728 523556.0623 904417.4832 992854.8815 658849.5002 599043.8698 643972.4795 688675.3774 564814.4109 650596.0445
N-(3-Methylbutyl)acetamide;N-(2-Methylpropyl)acetamide 820659.2265 443163.3528 814455.9614 895269.1232 789516.4022 986339.6525 786763.2422 567643.7501 526214.1294 660325.1681 867925.048 781807.3669 807892.5512 826617.8534 926848.0551 744978.7663 653116.4534 624327.8333 410562.0816 505220.7102 306820.2386 422959.2279 481916.1019 546328.2122
Lactosamine;6-(alpha-D-Glucosaminyl)-1D-myo-inositol 59867.49414 10468.89193 554562.3808 984479.4406 25187.05286 2229.969663 80242.97678 7520.581028 5707.031309 510005.7874 435317.4969 18984.60455 78049.84899 221619.0874 120191.2388 6630.535672 171147.1526 336823.8931 13727.24436 4862.517828 82540.9927 94406.98592 14326.41511 205882.4996
Caffeic acid 3-sulfate;Caffeic acid 4-sulfate;3-[4-(sulfooxy)phenyl]oxirane-2-carboxylic acid;2-oxo-3-[4-(sulfooxy)phenyl]propanoic acid;3-[2-hydroxy-3-(sulfooxy)phenyl]prop-2-enoic acid;(2E)-3-[2-hydroxy-3-(sulfooxy)phenyl]prop-2-enoic acid;3-[4-hydroxy-3-(sulfooxy)phenyl]prop-2-enoic acid 68348.7879 8849.738324 15971.3348 26824.94913 9849.444086 3866.487187 4029.329403 3893.337918 27062.60332 176044.255 4168.851522 17773.17638 982036.7713 87919.1182 21918.89869 60652.82025 81072.50877 69579.00824 3998.508538 4036.648044 237400.519 4210.773762 3812.604216 21643.06832
Dihydrouracil;N-Methylhydantoin;L-3-Cyanoalanine 346625.2789 220219.4553 394489.79 266305.1697 326225.5673 351935.8966 457267.9439 591661.9111 369427.6766 419275.721 502601.6939 980532.2881 574562.076 514351.1894 572712.726 503089.749 538629.956 458621.1878 329306.8122 358499.1406 331284.0119 349306.5371 453532.1297 426217.5898
N6-Methyladenosine;2'-O-Methyladenosine;N-(1-Deoxy-1-fructosyl)threonine;3'-O-Methyladenosine 22391.84483 863917.9266 19793.51818 64336.57619 597668.0886 977909.7346 16070.18332 626460.7856 437970.1333 28037.84219 24432.47192 198852.6456 231023.9809 544012.7996 592961.4141 462944.134 40778.5821 387160.7395 249289.3648 151437.2827 154956.0114 231145.6534 243636.1147 14664.46002
2-Methylene-4-oxopentanedioic acid;benzene-1,2,3,4,5-pentol;Zymonic acid;2-Maleylacetate 568099.652 288517.6639 325967.5587 118494.2568 972443.1103 173650.2587 883828.1532 856426.0805 543816.335 226119.953 647691.3742 555711.4834 389785.5496 287177.7355 231923.9858 638603.1614 149339.0944 278667.0371 400747.2005 375668.4644 275350.4002 543892.4977 386481.0721 626427.553
Phenmetrazine;(S)-Valerianine;1-(2,3-Dihydro-5-ethyl-1H-pyrrolizin-7-yl)ethanone;7-Ethyl-2,3,6,7-tetrahydrocyclopent[b]azepin-8(1H)-one;5-Acetyl-2,3-dihydro-6,7-dimethyl-1H-pyrrolizine;2,3-Dihydro-6-methyl-5-propanoyl-1H-pyrrolizine;1-(2,3-Dihydro-5,6-dimethyl-1H-pyrrolizin-7-yl)ethanone;1-(2,3-Dihydro-1H-pyrrolizin-5-yl)-1-butanone;2,3-Dihydro-7-methyl-5-propanoyl-1H-pyrrolizine;2,3,6,7-Tetrahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one;Mephedrone 59535.74567 87860.59927 126656.9438 966805.4936 58058.33385 100896.822 96537.22439 84524.35738 171933.9904 107340.3201 105438.9496 62508.02243 143298.6179 126282.2086 77275.8925 86912.4761 63137.4182 113466.8887 110952.9342 59388.35569 48150.75992 85675.59492 110464.4662 96428.8051
3-[(3-Methylbutyl)nitrosoamino]-2-butanone 48002.45604 45046.74719 282499.0263 195623.8113 498253.2565 152660.3796 37583.34334 277765.6271 155203.7699 64844.90885 111473.8264 25244.1681 966302.3238 217812.8444 304450.9204 85657.88336 127649.0502 193749.6388 18434.64188 65583.06767 54895.91643 32688.00694 621427.984 23578.61054
N-Methyl-1-deoxynojirimycin 368636.6016 340442.5362 343888.1625 423156.0963 431514.1515 384343.5697 444842.4536 397556.1625 448501.3147 631310.0204 523339.2625 906391.3762 962623.9673 475484.6653 456943.2632 207222.1086 959140.6559 510287.6176 417470.4422 195194.5507 376802.5414 404299.5835 218593.656 338127.0423
Tenofovir 75724.43644 122155.9669 421119.7607 339477.9511 131794.5845 26765.77959 152365.154 76436.67719 67772.13944 34947.70894 41160.30283 64650.52658 340897.6801 510340.5688 346557.3801 65123.75555 958609.4334 458087.6197 40779.65159 30791.18864 14594.69416 48955.85465 54311.27991 83990.27759
Indolepyruvate 389758.7034 443979.5699 404148.0581 320372.5475 431160.7196 352887.5189 808932.4756 370506.442 271122.7853 362422.7597 100085.9754 144041.6232 466016.3284 666153.5938 114836.2888 71098.134 935098.1383 486356.342 536388.9419 107601.1097 395647.8979 472364.3328 298798.2088 394768.3281
Delta-Hexanolactone;2,3-Hexanedione;2-Methyl-4-pentenoic acid;Methyl 4-pentenoate;4-Methyl-2-pentenoic acid;Ethyl crotonate;trans-Hex-2-enoic acid;2-Methyl-2-pentenoic acid;3-Hexenoic acid;2-Methyl-3-pentenoic acid;Gamma-Caprolactone;3,4-Hexanedione;Dihydro-4,4-dimethyl-2(3H)-furanone;5-Oxohexanal;4-Methyl-2,3-pentanedione;Prenyl formate;Allyl propionate;epsilon-Caprolactone 907578.6911 931984.054 310672.592 264554.579 287829.7288 273852.6029 303751.5277 292492.7828 338692.2723 299190.7885 407071.2165 210235.4227 261712.5323 713926.52 822866.3553 768848.1435 296542.5462 231352.721 295921.0053 336150.6575 288688.3608 258831.3269 266285.6415 297835.7643
Pectic acid;Galacturonic acid;5-Keto-D-gluconate;Pectin;Iduronic acid;L-Altruronic acid;3,4,5,6-tetrahydroxyoxane-2-carboxylic acid;2-Keto-L-gluconate;3-Dehydro-L-gulonate;Aldehydo-L-iduronate 903928.5417 838597.2768 928211.2716 800268.4734 885281.0789 786521.0796 873884.3322 917864.2919 854500.9876 825554.3944 736603.5135 900489.8658 791082.2961 726111.9393 679595.7016 688648.2006 867649.9775 823204.1367 856624.6742 810447.7207 807605.6776 809327.9208 808296.8563 820230.9189
Imidazolelactic acid;4-Imidazolone-5-propionic acid;5-(2-carboxylatoethyl)-4-oxo-4,5-dihydro-1H-imidazol-5-ide;5-Hydroxymethyl-4-methyluracil 165439.8545 56833.25155 142039.9756 584117.6979 94615.30092 61468.4665 181041.6472 119513.6171 119345.5822 133078.8358 478466.0714 163349.9424 174965.2217 734374.0467 721772.9614 252685.6401 220568.6327 925118.6053 183465.0475 202649.8442 76165.88608 117046.7661 303541.1006 248536.5519
{4-[(6-hydroxy-3-oxo-2,3-dihydro-1-benzofuran-2-ylidene)methyl]phenyl}oxidanesulfonic acid;[3-(3-hydroxy-4-oxo-4H-chromen-2-yl)phenyl]oxidanesulfonic acid;[3-(7-hydroxy-4-oxo-4H-chromen-2-yl)phenyl]oxidanesulfonic acid 16041.31831 5333.050077 2860.424331 2982.472934 3204.613082 2620.470779 31082.45792 2877.674797 2990.360423 3213.384175 2839.478759 6551.12902 917766.8366 49822.52537 2601.080534 2419.930463 21393.89852 2648.145733 2460.634874 2012.777547 2509.288044 2606.530049 2187.554274 3339.031631
Perillic acid;Pentyl 2-furyl ketone;2-Hydroxy-p-mentha-1,8-dien-6-one;2-tert-Butyl-1,4-benzenediol;3-Hydroxy-p-mentha-1,8-dien-7-al;alpha-Teresantalic acid;2,4,7-Decatrienoic acid;5-Hydroxy-p-mentha-6,8-dien-2-one;Epinepetalactone;Marmelolactone A;Isomintlactone;4-Ethyl-1,2-dimethoxybenzene;Karahana lactone;2-Methoxy-4-propylphenol;Perilla ketone;1,4-Epidioxy-p-mentha-2,8-diene;(1xi,4xi,6xi)-Carvone oxide;Rotundifolone;1,1-Dimethoxy-2-phenylethane;6-Pentyl-2H-pyran-2-one;1,2:3,4-Diepoxy-p-menth-8-ene;3-(4-methoxyphenyl)propan-1-ol;1-ethyl-3,5-dimethoxybenzene;Wine lactone;2-(4-methoxyphenyl)propan-2-ol 597885.6982 653602.2646 728245.6022 495950.4168 914077.9712 797540.3255 433610.0581 447938.5162 593617.9197 552125.8756 345095.4296 642597.0415 702267.0692 382560.7784 192865.4605 226851.2777 479085.2029 380036.6348 513319.5642 232191.0141 501937.7454 630749.6682 283885.2897 468607.5626
Dihydrothymine;Pyroglutamine;Squamolone;L-Cyclo(alanylglycyl) 432929.7143 454452.1578 666618.089 477694.8686 532517.894 462950.1396 496434.3562 664353.8395 536402.1 273382.8548 423803.2013 740941.8789 565697.5922 594615.8315 578447.9597 492505.5696 902953.0422 711595.469 483530.219 465193.7083 474608.8852 498980.5593 508853.0634 455502.4333
Cyclohexanecarboxylic acid;1,3-Diacetylpropane;Methyl (Z)-3-hexenoate;Ethyl 4-pentenoate;Ethyl tiglate;4-Heptenoic acid;2,3-Heptanedione;2,4-Dimethyl-2-pentenoic acid;Methyl 2E-hexenoate;Allyl butyrate;2-Heptenoic acid;Dihydro-5-propyl-2(3H)-furanone;4-Pentenyl acetate;Isopentenyl acetate;2-Hexenyl formate;1-Methoxy-3-methylene-2-pentanone;5-Methyl-2,3-hexanedione;3,4-Heptanedione;4-Methyl-5-hexanolide;cis-3-Hexenyl formate;Cyclohexyl formate;3-Methyl-3-butenyl acetate;Pantolactone 902527.6758 898536.0721 262538.2067 222169.0024 250255.6156 225756.0193 231049.0855 250432.2263 252503.8154 241160.048 341339.3435 166794.5782 199958.6645 737831.3583 849636.6196 789583.0909 223827.9715 179722.6258 234688.1701 303242.1106 218505.8382 188363.6898 216707.0038 238140.9322
Fagomine;2-amino-6-hydroxyhexanoic acid;(2R,3R,4R)-2-Amino-4-hydroxy-3-methylpentanoic acid;N-(2-Hydroxyethyl)-morpholine N-oxide 689924.8607 498821.0416 833386.8896 627307.9903 882907.5116 645243.949 357917.6723 376667.8974 348434.6531 362498.1769 277939.2794 271764.5363 820921.7917 791320.4142 748483.6171 800506.7879 761880.8142 722118.5681 196310.7044 242578.5036 221853.5907 248105.3527 277356.7707 247847.8103
3-cis-Hydroxyglipizide;4-trans-Hydroxyglipizide 3447.620916 3323.672507 11381.23185 6995.629248 11164.66057 3236.973296 6249.255233 8558.934047 4511.497254 872581.0398 104378.9905 5746.531494 14689.52202 16402.98692 14342.70129 4591.388069 28024.92319 8727.575429 3758.246006 3523.590972 4215.412628 3920.242316 3451.092427 3656.232944
N-Gluconyl ethanolamine 310572.6022 138177.7173 606730.6097 867429.5754 103029.3425 63893.4941 186815.3093 78262.33615 54354.07276 375575.5166 270490.6204 71935.77306 149071.0711 280808.9501 214988.18 84214.33875 258667.1767 412178.8334 78178.22008 47561.89842 46534.42636 71923.59953 39537.96663 379442.1444
9-HODE;13-HODE;13S-hydroxyoctadecadienoic acid;9,10-Epoxyoctadecenoic acid;(9Z,​11E)-13-HODE;Avenoleic acid;12-Hydroxy-8,10-octadecadienoic acid;(Z)-13-Oxo-9-octadecenoic acid;Alpha-dimorphecolic acid;(10E,12Z)-9-HODE;12,13-EpOME 20662.68991 33168.03452 94860.56399 40537.76364 97472.58282 53340.97481 208159.1127 579546.9897 553681.2871 632102.6742 864245.7189 724106.0805 28479.04416 65172.21503 84990.87838 131512.5187 30924.66927 80000.6753 97076.96437 144872.2567 37427.44672 149149.6205 69196.76132 123477.5705
Pummeline;Koeniginequinone B;4-hydroxy ketorolac 522806.0637 400996.8983 717930.8219 570747.6212 505994.0398 385688.4332 434905.5005 389472.9831 451571.8858 21635.47476 218639.3091 716594.1077 725018.3965 635023.3346 649098.8731 364844.736 846234.2213 780076.9611 464306.3436 356978.3663 403338.5113 502349.1125 484773.5254 448458.4833
Azelaic acid;Nonate;(+/-)-Ethyl 3-acetoxy-2-methylbutyrate;(+/-)-Methyl 5-acetoxyhexanoate;3-Methylsuberic acid;2,4-Dimethylpimelic acid;cis- and trans-Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate;Diethyl glutarate;Diethyl methylsuccinate;Butyl ethyl malonate 842827.6299 843946.2329 361471.0833 251041.161 260568.5003 204775.5385 251135.4814 310549.4469 263840.923 392020.0601 163767.0633 167308.6104 232710.3787 322784.3462 106354.1849 125395.2028 204443.7311 232306.8653 44400.80179 130603.0653 173105.5025 103311.6791 25038.68502 106355.8596
Triethanolamine 842907.7698 142512.6198 144199.727 203708.8591 158730.318 231120.0931 121031.1501 143410.3852 109391.223 89834.37986 172911.3462 341728.7422 298566.403 142741.004 193090.0298 135378.602 106140.4112 104511.6944 187298.9082 94061.95042 95790.92731 116614.9236 107825.2657 112517.9537
Furanone A;4-Hydroxy-2-butenoic acid gamma-lactone 12818.49034 11237.61455 16788.29913 15587.36853 12938.64908 11391.69847 12580.48391 12001.07475 12451.78447 824219.2603 130967.1903 16930.2226 16859.70811 15178.71461 15546.04415 11044.06836 21212.96918 19202.58701 13253.56839 10460.53305 11467.74083 12626.09491 12370.16289 11776.8772
(S)-N-Methylsalsolinol;(R)-N-Methylsalsolinol;2-Isopropylphenyl methylcarbamate;Ethyl N-ethylanthranilate;2-Methylpropyl 2-aminobenzoate;Butyl 2-aminobenzoate;(-)-Salsoline;(R)-1,2-dimethyl-5,6-dihydroxy-tetrahydroisoquinoline 709295.7046 384993.1091 822737.025 421752.2301 503280.8448 621173.1138 448221.6526 480363.6278 392149.1333 135787.2267 154586.8616 364757.0289 433967.6329 354088.5365 310687.5558 681215.3334 323410.6969 253973.8272 239828.4273 446134.1184 296086.5844 297864.9193 343948.6819 336211.0323
(Z)-3-Methyl-3-decenoic acid;3-Hexenyl 2-methylbutyrate;5-Octenyl propanoate;2-Hexenyl valerate;Prenyl caproate;Methyl 2-decenoate;2-Propenyl octanoate;Ethyl 3-cyclohexylpropionate;2-Hexenyl isovalerate;Citronellyl formate;Pent-2-enyl hexanoate;cis-3-Hexenyl pentanoate;Cyclohexyl 3-methylbutanoate;(Z)-3-Methyl-4-decenoic acid;trans-2-Hexenyl 2-methylbutyrate;Undecylenic acid;Methyl citronellate;Rhodinyl formate;Cyclohexyl pentanoate;cis-3-Hexenyl 3-methylbutanoate;cis-3-Octenyl propionate;cis-3-Hexenyl 2-methylbutanoate;Ethyl (E)-2-nonenoate;xi-gamma-Undecalactone;2,3-Undecanedione;(E)-3-Heptenyl 2-methylpropanoate;6-Hexyltetrahydro-2H-pyran-2-one;5-Hexyldihydro-4-methyl-2(3H)-furanone;(x)-1-Nonen-3-yl acetate;trans-2-Hexyl-1-cyclopropaneacetic acid;6-Methyl-5-hepten-2-one propyleneglycol acetal;5-Hexyldihydro-5-methyl-2(3H)-furanone 375260.6405 335236.4605 641135.2827 516355.5682 819860.478 717256.2824 202680.0671 185693.1806 294719.9153 206763.8546 160203.4396 324144.2513 501603.2921 199107.8553 152039.0377 178333.6635 225656.4996 251906.8234 165915.5354 123267.2443 172866.6534 231608.9164 128232.5847 169751.2041
apo-[3-methylcrotonoyl-CoA:carbon-dioxide ligase (ADP-forming)] 139209.2229 135739.3571 132770.2622 112971.5558 76538.9558 190718.5055 192589.9586 192600.6495 251286.1343 190419.0339 815767.5953 334782.6583 124260.996 126155.872 136646.0369 194803.3746 111817.2163 150037.01 114612.6581 164451.3328 208019.3816 161820.1276 123836.1991 132738.3971
Ubiquinone-1;Methyl neopentyl phthalic acid;Helinorbisabone;3-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propanoic acid;3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-carboxylic acid;2-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propanoic acid;2-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propanoic acid 319169.3642 375965.375 378050.6819 302917.1604 313547.404 328881.8067 446685.628 814893.8827 308930.9611 296701.9292 376390.9816 390312.5404 569621.9291 332994.6193 614453.6495 261445.5739 378648.0416 309035.2224 283692.8557 269332.5547 223959.4273 284030.2443 234314.4334 344128.9177
3-Amino-2-piperidone;N-Mononitrosopiperazine 377668.8911 209234.7987 298737.3134 325829.608 408572.7759 260016.7781 409041.3634 500555.9556 345423.4707 761449.3517 724626.9961 480351.5696 505348.0301 488904.3753 378269.4894 337807.008 626932.1553 618573.4477 813706.1661 567070.2111 453957.208 677493.693 454704.3699 598572.2771
Orotidine 586454.9305 333951.1811 383490.7751 397565.7444 344138.0544 408738.194 377471.258 394612.8717 438582.8558 521296.3305 813672.4157 441394.6472 499453.5058 319595.9737 374257.4329 360703.3868 368141.2654 458368.6642 317210.6408 316236.7011 402438.6254 447181.5457 302388.0015 391397.8174
(2S,4S)-Pinnatanine;gamma-Glutamylproline;Hydroxyprolyl-Hydroxyproline;Prolyl-Glutamate;Glutamylproline 169296.7705 89469.42441 361673.2261 343446.0701 153602.5808 64536.65503 393480.908 343090.4007 137291.9105 511801.3728 445423.9284 188471.8213 519448.1144 316889.2855 268797.1359 152550.5484 812201.7413 439791.2274 74340.02374 106812.5038 130140.2666 80938.85451 125279.9122 198726.3236
Aspartyl-Aspartate;L-beta-aspartyl-L-aspartic acid 61625.30111 36052.08017 53045.75321 177304.077 126282.9132 27517.4033 91092.72843 137861.1769 92752.48818 723439.237 809963.6952 96488.56041 97751.31815 26582.36159 52530.36066 73446.12149 76758.42893 164608.2833 139456.119 177745.6055 109673.4421 123758.9019 41261.59191 245142.2248
3-Methylglutaconic acid;trans-2-Hexenedioic acid;Maleic acid homopolymer;Dimethyl fumarate;Ethyl hydrogen fumarate;(E)-2-Methylglutaconic acid;3-Hexenedioic acid;3-Hydroxyadipic acid 3,6-lactone 20539.7959 10441.51427 18717.75767 22551.09384 11596.06402 9371.215052 12703.12204 9911.119119 9576.150131 803694.4522 104092.8497 15249.89151 18524.50458 18146.18952 19307.36256 8932.348336 32570.4122 26030.97342 10114.53098 8361.031896 8033.284614 14886.03849 10503.37474 9269.025741
4-Hydroxybenzylamine;2-Propionylpyrrole;2-Acetyl-1-methylpyrrole;1-Ethyl-1H-pyrrole-2-carboxaldehyde;p-Anisidine 646029.5259 525136.0052 795343.8719 752081.0936 603115.1026 621572.0227 576021.4525 416094.6372 384523.1297 415619.6072 477381.0027 547477.2158 800864.3039 669232.7783 722278.3663 575820.1532 528342.3374 611931.3288 469627.6114 392596.8889 405347.181 398298.8981 456053.9207 412289.4785
Sulcatone;3-Octen-2-one;2-Octenal;(E)-2-octenal;2-Ethyl-2-hexenal;(3xi,5Z)-1,5-Octadien-3-ol;2,5-Octadien-1-ol;(2E,4E)-2,4-Octadien-1-ol;(3E,5Z)-3,5-Octadien-1-ol;1-Octen-3-one;(S,E)-Filbertone;2-Ethylidenehexanal;2,4,4-Trimethylcyclopentanone;5-Methyl-5-hepten-2-one;6-Methyl-3-hepten-2-one, trans-;2-Octen-4-one;3-Methyl-3-hepten-2-one;6-Octenal;(Z)-5-Octenal;5-Octen-2-one;4-Octen-3-one 799722.6214 731131.2403 326082.7753 225068.3393 250922.4825 249898.1867 235110.0307 269221.067 232685.3249 328733.5577 176020.2975 169399.2228 234595.8299 393305.6635 112094.3373 138588.6053 206923.2169 192968.5675 68686.0911 21849.36325 208400.0877 116462.9478 19931.66205 107082.6628
D-Fructosazine;Isomugineic acid 45152.46097 13601.01723 734911.7348 396793.1969 14850.9117 11835.02127 96663.09553 14314.50415 14600.39634 19242.1943 13319.72611 64995.11423 356344.0475 270754.6692 281661.8275 12757.82332 791953.3845 460360.2911 13430.08102 11938.80559 12443.76378 13606.50397 12074.2757 27167.09406
p-Cresol glucuronide;2-O-Benzoyl-D-glucose;D-Vacciniin 315577.4753 370976.2858 266978.4758 506958.0628 509044.0004 274361.5471 496453.5533 386517.2088 604430.7552 483298.9527 790381.5203 689773.854 154227.284 280783.4683 197333.2666 246712.1509 415938.6759 369955.1486 410025.4419 175234.1721 360207.6281 371236.8475 219336.8722 598050.3296
3-Hydroxydodecanoic acid;xi-5-Hydroxydodecanoic acid;12-Hydroxydodecanoic acid;(R)-3-Hydroxydodecanoic acid 285795.6232 304291.4799 412442.6236 269476.0127 329457.677 378318.895 374458.4765 440260.3409 612574.5823 187954.5606 459317.23 644481.8645 236356.5599 178255.1753 165024.3207 235205.4708 151056.9315 308172.9991 645130.8161 456089.7591 477514.4517 789735.3968 233123.4504 612682.9586
8-Ocimenyl acetate;Ethyl (2E,4Z,7Z)-Decatrienoate;(S)-p-Mentha-1,8-dien-10-yl acetate;Ethyl (2E,4E,7Z)-Decatrienoate;Perillyl acetate;(2S,4R)-p-Mentha-1(7),5-dien-2-ol acetate;(R)-2-Acetoxy-p-mentha-1,8-diene;Carvyl acetate;Menthadienyl acetate;(±)-Myrtenyl acetate;4-Hydroxypropofol;(2,2-Diethoxyethyl)benzene;1-(4-methoxyphenyl)pentan-3-ol;Neocnidilide;(S)-Neolyratyl acetate;Hexylresorcinol;1-(2-Furanyl)-1-octanone;(S,Z)-Lyratol acetate 339537.6372 54750.91796 787220.7206 399521.9375 116057.7008 88894.13996 208210.8633 252265.2941 197010.3037 265470.2888 353568.6568 375260.7715 167845.4858 450630.2978 438701.4687 351127.0373 340654.1873 271685.5372 277236.8862 69305.48869 53726.35095 321802.7973 120291.6138 388350.2921
O-methoxycatechol-O-sulphate 13479.91399 3230.936562 118766.5683 164725.6096 25057.5572 2207.254513 13100.92916 7642.706029 139456.7918 780273.8041 19082.65404 71515.18899 160807.0089 20458.51366 4398.364288 6507.547903 39765.84407 364702.4822 15550.99351 2749.593037 42516.63491 12243.55079 2032.220879 35084.65
8-Hydroxypinoresinol 4-glucoside;8-Hydroxypinoresinol 8-glucoside 9861.816192 8468.898026 180186.319 62974.74239 10968.47199 9411.184626 34103.99111 22996.77267 75136.78725 95208.0361 14801.96377 11603.25177 78147.02603 214571.9396 53021.49501 9858.571711 296089.7902 776210.2003 36084.50281 7926.958307 8067.501159 44446.28258 7985.304413 25310.17559
Alanyl-Glutamine;N-a-Acetylcitrulline;Glutaminylalanine;Alanyl-Gamma-glutamate 70865.55983 26423.92738 324164.2552 347985.2894 27789.66077 102662.011 74227.96471 10890.80547 10819.76602 36851.1099 67307.96823 78905.84671 149803.3229 457216.3626 126039.8714 2690.654205 431157.0064 758239.751 64209.27054 3369.196835 5299.429842 13400.22156 24212.10839 109774.9737
1,11-Undecanedicarboxylic acid;Menthyl ethylene glycol carbonate;(±)-1,4-Nonanediol diacetate 748817.5292 704332.1333 237784.0103 221059.1707 249085.7099 225918.6027 244564.5838 229907.6255 297331.8052 242982.794 297535.5662 186365.3532 209348.9393 512105.5391 558074.3662 517373.4044 250992.7819 206210.4161 257519.046 268566.9551 236206.2451 217871.1501 187762.9878 233228.255
Avenanthramide 2s;Avenanthramide 2;5-hydroxy-2-{[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-ylidene]amino}-4-methoxybenzoic acid;Clovamide 25400.09816 66137.1179 219897.6235 17563.89162 29724.70107 4515.41639 28254.0277 7600.693756 59271.36029 2756.416469 2785.913213 30021.88481 359191.3175 736857.496 299746.0148 21697.64112 592081.9087 353091.9777 11168.58151 2605.739836 7287.0369 27002.40989 11744.22668 2680.213661
(3S,5R,6R,7E)-3,5,6-Trihydroxy-7-megastigmen-9-one;2-Carboxy-4-dodecanolide 730459.3082 538512.5945 209995.5677 156767.7899 135557.6152 130327.8735 97464.24197 137265.0596 94709.1289 162248.0399 161251.2175 91948.06299 113967.6246 186823.9573 135158.4317 113994.2354 99484.71862 94521.26551 58188.50393 66697.56116 69715.16709 52499.05957 49034.68598 73534.72889
xi-8-Hydroxyhexadecanedioic acid;xi-7-Hydroxyhexadecanedioic acid;Emedastine 669324.5846 730454.7855 219755.3374 148449.3191 166944.2937 116760.487 121763.8327 128038.4977 144165.7087 171648.9568 116630.0403 125250.4233 96400.61851 287621.2699 155488.5139 154545.5139 107069.0725 99898.3824 75995.30271 59855.4333 69011.14598 78432.62886 36920.67327 80567.67675
Glycyl-Lysine;Lysyl-Glycine 235039.7889 169270.509 258663.1571 301844.4016 189071.5776 125580.2063 451286.7018 413102.5972 301124.1491 352397.8847 729229.9364 284448.5791 257385.0597 617308.6128 410938.5578 151309.6299 380035.1227 571449.7256 384040.5518 208110.7043 274150.2156 400820.0378 291529.5658 488342.3543
N-methyl-L-glutamic Acid;N-Acetylthreonine;Acetylhomoserine;hydroxybutyrylglycine;Glutamate, gamma-methyl ester;(±)-2,2'-Iminobispropanoic acid 266610.8265 224435.5539 375467.6907 286816.0166 355079.1427 298575.8707 479833.9468 426622.6879 327879.1048 717061.9022 532564.492 303168.9026 312527.0265 295423.4792 302130.1163 246998.5951 328185.029 303469.8289 272505.3999 221382.3837 239875.1427 290267.4547 237705.0521 444296.3801
Monoiodothyronine 473159.7889 185113.8906 216919.1172 130851.9482 246638.1952 171036.1961 368604.8009 238296.2576 235097.1294 609960.2428 716610.3051 324826.5763 319269.0817 77536.80838 98109.2546 224249.4559 72309.05758 55998.05158 280843.7989 272647.6483 244514.3967 275536.601 276447.5183 371213.0631
Heptanoylcholine 35651.8407 49729.21751 134531.7974 109802.9594 66726.36386 172776.4728 329759.6455 429733.2851 451187.1616 138592.3686 328462.8574 490685.6869 578684.7644 79361.22704 117447.7479 77268.36051 62812.50139 84593.81 82772.16608 87875.23955 89732.51549 251855.5776 71532.58771 715074.9029
Pipecolic acid;D-Pipecolic acid;N-Methyl proline;Vigabatrin;L-trans-4-Methyl-2-pyrrolidinecarboxylic acid;2-Pyrrolidineacetic acid;N4-Acetylaminobutanal;D-pipecolate;1-Piperidine carboxylic acid;(2E)-Decenoyl-ACP;3-Acetamidobutanal 67565.95893 57844.1129 74803.58837 61676.5812 57640.73611 59271.79583 55559.33741 16567.43593 44043.57114 58930.98344 61428.98329 52861.39921 69896.27076 533188.8507 562982.1285 74855.61369 705493.6353 377684.0569 44077.17161 44554.97775 36822.01017 40972.26659 54655.95109 41474.65268
6,8-Dihydroxypurine;Oxypurinol 16706.05246 16066.67634 361034.4533 654178.8479 29533.78042 13218.28625 41612.49131 15780.11152 22512.56597 73756.67567 50695.11226 50989.61073 261447.9991 343968.4258 329884.064 16299.51282 448680.6271 693522.8688 46082.18931 11930.1611 12340.88922 14420.42834 24681.09476 75981.82215
2-Amino-4-ethoxy-3-hydroxybutanoic acid;Bicine;1-Deoxynojirimycin 57722.02382 35559.67117 218317.4464 97005.31955 27917.35745 47094.5312 38356.38032 53398.76678 32580.2986 49577.91848 31361.64257 22065.94941 175260.7978 29783.24288 693112.2901 51842.73699 141798.6997 67624.40104 28617.23082 29656.1619 68029.25003 27653.00102 40760.97392 102898.4471
Aspartylglycosamine 54878.41082 45011.50068 107533.3905 174833.9296 87117.13656 60828.35715 261467.1213 340126.3546 266637.6135 332339.038 345608.4489 671135.2115 302150.3562 343044.5971 365443.5058 209560.0041 683919.8164 248646.0811 265849.6954 302636.7723 262356.7477 297637.4118 415303.1286 314917.7742
Dicyclohexyl disulfide 683120.7633 540400.0444 199529.3213 180124.9913 208880.0894 176072.7343 205605.0925 214474.5488 220566.7673 212308.7945 253701.7539 147787.3517 162504.3373 476745.7636 513645.8293 534084.4044 200081.1283 173049.5089 166881.3815 160788.633 168284.202 178916.5965 142601.489 196871.2491
norcisapride 319965.8525 238062.3893 387896.424 306472.4832 420867.8869 385122.4875 347536.8666 408683.4028 293080.2604 407475.289 233531.2929 354503.0079 677499.2618 524987.761 589673.0007 554594.5954 550479.5918 500675.9119 179058.5089 211609.8366 160692.6337 192983.5582 205523.904 175840.9628
Malonylcarnitine;O-malonyl-L-carnitine;Linamarin 114791.0375 121313.8226 198366.2223 233541.0497 158935.1893 77269.09522 198785.1474 112279.2151 114231.1125 183568.0617 443677.4529 235071.5839 393018.9133 230236.0863 362230.4733 79312.79786 673245.6067 393373.2069 148787.5587 64669.83798 121655.2718 156230.1504 103657.3496 221666.7873
Pipecolic acid;D-Pipecolic acid;N-Methyl proline;Vigabatrin;L-trans-4-Methyl-2-pyrrolidinecarboxylic acid;2-Pyrrolidineacetic acid;D-pipecolate;N4-Acetylaminobutanal;3-Acetamidobutanal;(2E)-Decenoyl-ACP;1-Piperidine carboxylic acid 37362.97752 40323.58265 55481.98778 53244.89673 41724.45902 44886.5014 45021.85859 42005.79065 45118.36705 38086.38257 222778.5175 203216.9797 28527.6332 36280.77998 472531.716 666884.9501 22378.67522 45956.42264 40952.4453 232763.1681 41074.8164 51217.75481 345116.28 31064.68271
Protocatechuic acid;Gentisic acid;3,5-Dihydroxybenzoic acid;2-Pyrocatechuic acid;2,4-Dihydroxybenzoic acid;2,6-Dihydroxybenzoic acid;Patulin;2,4,6-trihydroxybenzaldehyde 507125.5613 206244.2624 15801.67762 38242.72601 33718.82752 11183.43846 39300.14481 39548.98114 63155.99063 116969.195 21196.51955 54330.39982 662608.4537 89790.68198 69278.66108 136687.847 70537.40631 72943.14403 8327.906509 18765.95897 22232.24406 8513.995631 21504.77379 26824.81522
3-Methyl-5-propyl-2-furannonanoic acid;Fauronyl acetate;Dihydropanaxacol;12S-HHT;3-Methyl-5-pentyl-2-furanheptanoic acid;5-Heptyl-3-methyl-2-furanpentanoic acid;5-Pentyl-2-furanoctanoic acid;Valeracetate 64555.03138 72580.63808 169085.789 148788.8209 140755.5983 72772.54083 373450.2849 645547.814 551008.0326 462732.563 461356.5488 507724.5806 82173.39164 95268.23404 183812.8598 320400.3409 88310.10702 157336.2992 209362.9762 325416.9612 164721.4265 382463.203 108703.1963 292139.115
{[(3Z)-4-{4-[2-(dimethylamino)ethoxy]phenyl}-3,4-diphenylbut-3-en-2-yl]oxy}sulfonic acid;4-Hydroxytamoxifen sulfate 277019.413 264817.7729 408961.8773 225486.6389 214397.0243 253838.7635 172858.5082 140260.4575 215460.7627 118569.8778 30470.1459 55746.76206 159954.5238 645500.5201 431268.2857 198651.6903 367146.3942 410308.0512 151751.9579 42146.76058 61989.95656 66189.16904 34246.15062 52017.71939
gamma-Aminobutyric acid;L-alpha-Aminobutyric acid;Dimethylglycine;3-Aminoisobutanoic acid;2-Aminoisobutyric acid;D-alpha-Aminobutyric acid;3-Aminobutyrate;(S)-b-aminoisobutyric acid;(R)-b-aminoisobutyric acid;N-Methylalanine;Butyl nitrite;3-Aminobutanoic acid;O-Acetylethanolamine;N-Ethylglycine 347310.6186 361676.3872 520781.4421 126756.6161 135126.9926 291627.5213 107081.0035 132697.8203 95302.69525 240231.7271 42831.50075 121252.3431 318997.9429 169481.6976 154793.2924 76920.84751 644666.1745 244887.6149 162784.1295 52956.36242 109547.0132 142517.4963 92156.93266 66456.27995
Tyramine glucuronide 153243.4667 85671.45932 65817.53195 642515.4417 342429.0425 293330.2331 64371.31562 518329.2569 509452.1018 365846.7143 51994.25068 221137.2038 128794.9169 96459.35063 22627.70067 25789.83161 207032.5757 35839.58681 45909.29472 196513.8724 10385.28869 92514.38671 113331.0409 100730.4774
1-Aminocyclopropanecarboxylic acid;(S)-2-Azetidinecarboxylic acid;L-3-Aminodihydro-2(3H)-furanone 295376.1652 124199.6263 309370.4312 241875.7814 108376.0978 66902.80291 187954.0252 96785.02396 115146.3379 312461.8711 302457.9214 142117.9929 504215.5094 158242.7203 213797.9294 115899.9291 639877.4504 329346.7962 103801.7817 81953.39265 83630.48618 104711.0929 85390.66001 138377.7171
Sulfaphenazole 34193.56743 6614.082153 265523.7186 199363.8402 60144.85349 4828.610863 229415.0084 8760.527398 3401.258091 38346.18464 4605.102074 289975.4386 637268.0124 323478.0723 86857.41072 7499.302097 421847.1045 175764.6174 12207.72608 3499.743152 64116.53563 9895.837304 15625.06081 79202.40286
(±)-cis-Linalyl oxide;trans-p-Menth-2-ene-1,4-diol;Ethyl 3-octenoate;cis-3-Hexenyl butyrate;5-Decenoic acid;Cyclohexyl butanoate;9-Decenoic acid;2-Hexenyl butanoate;6-Decenoic acid;5Z-Octenyl acetate;Ethyl 4Z-octenoate;Citronellic acid;2-Methylbutyl 3-methyl-2-butenoate;3-Decenoic acid;Isopentyl 3-methyl-2-butenoate;2-Octenyl acetate;(S,E)-2,6-Dimethyl-5,7-octadiene-2,3-diol;Hexyl crotonate;9-Hydroxygeraniol;Methyl (xi)-3-nonenoate;2-Propenyl heptanoate;Methyl 2-nonenoate;Ethyl (E)-2-octenoate;trans-Dec-2-enoic acid;8-Methylnonenoate;2-Exo-hydroxy-1,8-cineole;Linalyl oxide;cis-4-Decenoic acid;2,6-Dimethyl-3,7-octadiene-2,6-diol;1-Octen-3-yl acetate;(+)-6-Hydroxy-2,6-dimethyl-7-octen-4-one;3-Methyl-2,4-nonanedione;(±)-trans-Linalyl oxide;delta-Decalactone;xi-Tetrahydro-3-pentyl-2H-pyran-2-one;4-Hydroxy-2,6-dimethyl-7-octen-3-one;Cyclohexylethyl acetate;Lilac alcohol;(E)-3-(Tetrahydro-5,5-dimethyl-2-furanyl)-2-buten-1-ol;6-Decanolide;Menthone lactone;Cnidiol C;Linalool oxide (trans-pyranoid);1-Cyclopropyl-4-methyl-1,3-cyclohexanediol;Linalool oxide III;cis-3-Hexenyl isobutyrate;xi-5-Hexyldihydro-2(3H)-furanone;(+)-cis-Linalool 3,7-oxide;(±)-6-Methyl-5-hepten-2-yl acetate;2-Hydroxycineol 547446.1436 528473.8186 475187.588 285104.0741 495544.9887 436198.8164 438565.7018 433175.7131 578348.2756 321068.5183 418343.7572 634302.6608 416025.4517 282701.9144 338532.9691 436985.54 274042.1015 390537.8842 491439.166 500945.6031 411588.7736 512392.6886 486583.685 439147.1162
6-allyl-8b-Carboxy-ergoline 44728.2759 36530.06006 625859.1177 149023.1808 37865.34269 202354.0584 147233.2673 5658.541129 2847.931058 18767.14781 33684.85907 185673.4768 17164.39285 134304.7945 37298.33722 4404.429827 80377.26731 186361.9233 30124.41625 2646.077537 2144.255343 2352.874009 7666.836514 48531.15485
m-Coumaric acid;4-Hydroxycinnamic acid;Phenylpyruvic acid;Coumaric acid;cis-p-Coumaric acid;3-(2-hydroxyphenyl)oxirane-2-carbaldehyde;3-(4-hydroxyphenyl)prop-2-enoic acid;3-(2,3-dihydroxyphenyl)prop-2-enal;3-(3-hydroxyphenyl)prop-2-enoic acid;3-(4-hydroxyphenyl)oxirane-2-carbaldehyde;3-phenyloxirane-2-carboxylic acid;2-Hydroxycinnamic acid;3-(2,5-dihydroxyphenyl)prop-2-enal;4-methoxy-1-benzofuran-6-ol;Enol-phenylpyruvate;(2E)-3-(3,4-dihydroxyphenyl)prop-2-enal;3-(2-hydroxyphenyl)prop-2-enoic acid;Cis-2-coumarate;Trans-3-coumarate;Methyl Phenylglyoxalate 47521.68656 41865.0116 11991.08415 45860.8522 46928.37917 38947.68455 8082.503712 6267.027155 112922.5886 617460.8454 56209.35966 23669.54399 114203.8179 14332.449 5784.3671 22618.84964 20978.53419 10649.76273 33712.55903 27672.46911 48083.46989 40942.97213 9533.948962 24053.0793
Isosorbide Mononitrate;gamma-Carboxyglutamic acid 279706.1356 72685.01209 214717.7756 614740.0133 117955.7949 54163.08087 176858.337 112346.864 140048.0509 174621.0517 168397.8939 140152.2334 310365.7408 93080.57893 178635.3571 58585.59953 342205.3005 220888.764 123220.8684 40160.34871 84958.20854 127497.6865 90758.26713 188135.1937
Tetrahydro-2,5-furan-diacetic acid 453739.409 456322.7915 433722.0815 385923.4761 416825.2783 381512.9634 466077.1444 455014.0343 423796.8794 485029.9456 613392.4371 370793.8809 367720.6394 390388.0596 359581.8273 414216.102 446632.6108 331963.5752 350195.7799 429479.7781 377922.631 309342.3721 318376.0792 399922.5008
N-methyl-L-glutamic Acid;N-Acetylthreonine;Acetylhomoserine;Glutamate, gamma-methyl ester;(±)-2,2'-Iminobispropanoic acid;hydroxybutyrylglycine 213875.25 89641.00391 608049.9873 341512.6334 53322.64229 64088.04689 163662.6479 77857.61204 87647.0031 30266.12401 69664.23895 51833.72152 529110.2781 388457.4108 321615.1895 84946.58456 521660.9188 605120.6423 16300.47517 52966.25822 12842.18412 14641.74595 16992.92384 36253.67503
Pimelylcarnitine 21753.64451 14579.90184 63095.9373 221937.6011 19529.10807 16708.94761 66738.53264 47293.241 39316.9033 49745.98547 63355.62658 77369.9952 180606.5995 243001.7606 509060.2199 19108.459 113748.1786 604713.419 50651.77273 33797.1146 36778.38212 43136.25155 141808.3209 70749.77164
Dimethylphosphate;Ethylphosphate 175431.4524 114371.1463 434997.7233 239365.4939 141213.3778 60605.88772 347866.7561 113158.5902 154260.3796 239738.9147 230518.2607 185167.3524 601402.7362 182389.6943 242827.4129 67534.30814 409894.2821 399133.5275 113670.4731 95430.33209 105034.5873 140314.1957 127140.416 147955.2791
N-Acetyl-L-tyrosine;5-hydroxyphenylpropionylglycine;3-hydroxyphenylpropionylglycine;6-hydroxyphenylpropionylglycine;2-hydroxyphenylpropionylglycine;4-hydroxyphenylpropionylglycine;Salsolinol 1-carboxylate 44974.92773 41483.4353 65974.01933 56087.68589 62079.76447 37633.75813 198213.8593 214504.4967 93850.39132 231168.2794 86293.87404 599595.5625 41998.59114 124828.2485 44380.75891 64611.54876 97255.22918 61605.29869 50307.62699 55634.84804 65871.44609 98585.38242 109797.5089 84728.23999
2,3-Dihydro-2,3-dihydroxy-4-(4-hydroxyphenyl)-1H-phenalen-1-one;gamma-Glutamyl-S-(1-propenyl)cysteine sulfoxide;Musanolone C;Dehydrowarfarin 3399.301201 4224.898277 44180.24744 211494.7393 14937.87097 2553.060226 11600.92586 3610.296132 4132.833731 20381.81608 11828.14122 16320.32229 96723.36739 460381.715 337421.4357 2656.917175 168573.674 598792.3313 29368.15226 2398.560106 2567.385668 2940.227751 53776.34655 75585.32583
5-Aminopentanoic acid;Norvaline;Vaporole;Amyl Nitrite;N-Methyl-a-aminoisobutyric acid 100026.6877 104192.7543 92506.41385 94221.74853 99789.40016 103367.6692 110757.0833 310187.3509 41815.41088 107954.3899 96059.5088 595730.7114 111552.5982 111372.2959 195829.8879 113410.4269 120000.1638 98086.25191 412741.5857 94169.9683 87444.91421 86165.48678 109595.5963 114427.8958
Argininic acid 117378.2918 15463.5342 82995.0232 593631.0818 7742.419476 3782.289215 56391.94364 3737.353811 3345.665855 4621.367055 4034.765642 16456.84484 144692.946 37625.29412 27501.90689 4333.05214 64394.73708 36692.13415 3115.679053 3997.116674 3365.662496 3113.61703 2626.788834 7903.9607
alpha-Terpineol acetate;3,7-Dimethyl-2,6-octadien-1-ylacetate;Allyl 3-cyclohexylpropionate;p-Menth-1-en-9-ol acetate;Dihydrocarveol acetate;Fenchyl acetate;alpha-Campholene acetate;cis-3-Hexenyl trans-4-hexenoate;cis-3-Hexenyl cis-3-hexenoate;Isopulegol acetate;(-)-Bornyl acetate;cis-3-Hexenyl trans-2-hexenoate;Methyl 2-undecynoate;Geranyl acetate;Ethyl 2Z,4E-decadienoic acid;Linalyl acetate;(S)-Santolina acetate;Yuzu lactone;(3R,3aR,7aS)-3-Butylhexahydro-1(3H)-isobenzofuranone;Dihydro-5-(2-octenyl)-2(3H)-furanone;Artemisia alcohol acetate;6-Heptyl-5,6-dihydro-2H-pyran-2-one;(Z)-4-Hydroxy-6-dodecenoic acid lactone 397685.4196 372209.2334 458251.4072 254163.1255 471946.798 410903.6768 347174.0801 328977.6565 449269.4808 205704.2865 280930.7815 590523.5893 336003.2029 170963.1938 193194.1637 188901.3752 199235.6146 317048.8384 324235.7143 271242.2026 323931.2951 386471.945 195540.4466 283925.568
Xanthylic acid;5'-xanthylate(2-) 14402.23956 2722.293078 77170.07466 259085.9825 2553.391333 2385.45731 17975.60093 2757.054429 2544.278685 6958.15396 10428.4588 6837.464472 191076.8929 117914.2639 145383.8645 2890.62525 301720.2983 590405.148 2580.093359 2388.657911 2496.334731 2506.410505 3127.37825 8963.168405
D-Glutamic acid;N-Acetylserine;N-Methyl-D-aspartic acid;O-Acetylserine;3-(Carboxymethylamino)propanoic acid;DL-Glutamate;N-lactoyl-Glycine;L-4-Hydroxyglutamate semialdehyde 288755.0673 61770.89622 214373.9814 582698.6557 124025.4626 50593.38105 170323.324 123969.1225 136898.9367 158235.692 180151.9476 138251.7273 330215.8137 95303.59258 178434.4927 49497.69102 333437.2378 220923.8786 120036.0398 64950.49222 84184.42484 119171.4333 85967.96522 176978.6404
Tiglylcarnitine 581279.488 537478.0947 164027.2466 138153.0614 166801.8608 142550.0617 165385.1507 161672.5522 174287.9688 189459.1328 220645.9557 154353.2396 141715.974 365186.0669 367179.5424 343843.0786 159569.6666 122513.394 109854.4076 127035.0819 140896.6646 116516.4039 85354.70595 130994.9812
{3-[3-(2-hydroxyphenyl)propanoyl]phenyl}oxidanesulfonic acid;{3-[3-(3-hydroxyphenyl)-3-oxopropyl]phenyl}oxidanesulfonic acid;{3-[3-(3-hydroxyphenyl)propanoyl]phenyl}oxidanesulfonic acid;[4-(7-hydroxy-3,4-dihydro-2H-1-benzopyran-3-yl)phenyl]oxidanesulfonic acid;{3-[3-(4-hydroxyphenyl)propanoyl]phenyl}oxidanesulfonic acid;[2-hydroxy-5-(3-phenylpropanoyl)phenyl]oxidanesulfonic acid;[3-(3-hydroxyphenyl)-3-oxo-1-phenylpropoxy]sulfonic acid;3-(3,7-dihydroxy-5-sulfino-3,4-dihydro-2H-1-benzopyran-2-yl)benzen-1-olate;3-(3,5-dihydroxy-7-sulfino-3,4-dihydro-2H-1-benzopyran-2-yl)benzen-1-olate;[3-(3-hydroxy-3-phenylpropanoyl)phenyl]oxidanesulfonic acid 579864.5262 349658.2264 11633.28368 2510.324742 5706.511863 2306.348241 21075.9596 8018.641993 2495.056153 2776.956954 6603.876061 33245.90419 2833.180088 13792.65969 35430.09707 42556.35166 2575.281136 2519.234605 2280.738315 2862.386984 2260.521005 2258.804628 2245.869927 3014.911974
Aspartyl-Glutamine;Glutamylasparagine;Aspartyl-Gamma-glutamate;gamma-Glutamylasparagine;Glutaminylaspartic acid;Asparaginyl-Glutamic acid 578000.0625 11538.52821 37230.71174 253118.3285 37295.91165 3581.486571 35666.6081 32337.3202 3480.548557 271407.9173 305846.2974 144519.2425 41045.79214 19563.91589 126051.228 123592.9722 43262.88665 196423.5554 1187.035144 11156.57998 55077.32819 2428.683187 102413.1677 117844.6961
2-Furancarboxaldehyde;Protoanemonin 10558.58877 9205.282598 13828.51974 12839.31336 10657.56351 9383.340496 10133.4101 9885.28366 10178.99001 576220.0118 99555.84045 13945.42208 13887.33931 12452.55741 12805.27448 9096.997628 16389.36187 15817.16834 10066.85916 8616.339673 9445.976585 10283.97156 9649.447553 9700.612169
Zileuton O-glucuronide 36105.26156 50550.4331 378886.4092 396948.1656 98908.359 12731.37031 54612.99571 27608.68177 39311.28336 68360.74133 38039.04664 86652.82976 365086.4626 357069.212 380756.4225 35527.49297 570108.0726 457599.8873 48432.42842 19554.42006 21824.45511 36012.83232 43136.49737 69292.45109
6-[3,6-dihydroxy-2-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-[2-hydroxy-4-(3-hydroxy-3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid;6-[2,5-dihydroxy-3-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-[2-hydroxy-5-(3-hydroxy-3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid;6-[3,5-dihydroxy-2-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[2,3-dihydroxy-5-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{2-hydroxy-4-[3-(2-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;Eriodictin;6-{4-[3-(2,5-dihydroxyphenyl)-3-oxopropyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[2,4-dihydroxy-6-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-{2-[3-(3,4-dihydroxyphenyl)-3-oxopropyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid;2-[3,4-bis(2-hydroxyethoxy)phenyl]-3,5-dihydroxy-7-(2-hydroxyethoxy)-4H-chromen-4-one;3,4,5-trihydroxy-6-{2-hydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;3,4,5-trihydroxy-6-{4-hydroxy-3-[3-(2-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;6-[3,4-dihydroxy-2-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{4-hydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;6-[3,5-dihydroxy-2-(2-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;5-hydroxy-2-(4-hydroxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one;3,4,5-trihydroxy-6-{[3-hydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}oxane-2-carboxylic acid;6-[4,5-dihydroxy-2-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{4-hydroxy-2-[3-(3-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;6-{4-[3-(3,4-dihydroxyphenyl)-3-oxopropyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[2,3-dihydroxy-4-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{3-hydroxy-5-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenoxy}oxane-2-carboxylic acid;2-O-Caffeoylarbutin;6-[2,5-dihydroxy-4-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-4-one;(2R,3R)-3,3',4',7-Tetrahydroxyflavanone 7-O-alpha-L-Rhamnopyranoside;5,7,8-Trihydroxyflavanone 7-glucoside;3,4,5-trihydroxy-6-[4-hydroxy-2-(3-hydroxy-3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid;7-Hydroxyaloin B;6-[3,5-dihydroxy-4-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[3,5-dihydroxy-4-(2-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[3-(3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{4-hydroxy-3-[3-(3-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;5-Hydroxyaloin A;6-[2,4-dihydroxy-3-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[2,4-dihydroxy-5-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{4-hydroxy-3-[3-(4-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;6-[3,4-dihydroxy-5-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{4-hydroxy-2-[3-(2-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;6-{2-[3-(2,5-dihydroxyphenyl)-3-oxopropyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{2-hydroxy-5-[3-(4-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;3,4,5-trihydroxy-6-{2-hydroxy-5-[3-(3-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;6-{3-[3-(3,4-dihydroxyphenyl)-3-oxopropyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid;Floribundoside;6-{5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-methoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[2,6-dihydroxy-3-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-{3-[3-(2,5-dihydroxyphenyl)-3-oxopropyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{2-hydroxy-5-[3-(2-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;6-[2,6-dihydroxy-4-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-[4-hydroxy-3-(3-hydroxy-3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid;Dihydrogenistin;4'-Hydroxyfenoprofen glucuronide 152266.2611 82590.2349 285440.0971 150660.2193 65553.67051 27393.49535 77027.80315 39493.43871 55589.64071 15344.79821 5786.064204 87082.11914 338217.8699 145080.3915 183610.132 45006.5847 568950.3765 367292.6027 45472.74534 17289.84264 23552.42397 38115.53618 22808.62647 43717.08116
(1R,2R,4R)-1,8-Epoxy-p-menthane-2,4-diol;3-Hydroxy-5Z-octenyl acetate;6-Methyl-2-methylene-6-octene-1,3,8-triol;Ethyl (3R,5Z)-3-hydroxy-5-octenoate;(1beta,2beta,5beta)-p-Menth-3-ene-1,2,5-triol;(1S,2S,4S,5R)-1,8-Epoxy-p-menthane-2,5-diol;exo,exo-1,8-Epoxy-p-menthane-2,6-diol;5-Hexyl-1,4-dioxan-2-one;(E)-10-Hydroxy-8-decenoic acid;2-Methylbutyl 3-hydroxy-2-methylidenebutanoate;3-Methylbutyl 3-hydroxy-2-methylidenebutanoate;6-Hexyl-1,4-dioxan-2-one;3-Oxodecanoic acid 496296.2519 453503.2019 566150.3862 295973.1815 298397.108 318568.3612 365047.126 331515.8844 377537.4818 328913.3968 400593.6904 276819.3694 313537.1009 339935.4265 362191.2505 326996.625 329024.127 268605.1933 309256.3122 317044.7666 300609.065 256629.0261 222128.5399 297762.9997
Sertraline 564009.3136 30650.64716 55684.36213 53693.60552 4109.966761 165902.6225 45732.22272 14013.04775 3106.198983 6155.686772 8014.019155 84480.76398 73218.54197 193757.1791 90596.19297 43385.43149 120536.9525 73289.75567 2369.752906 3196.140465 2224.88777 3120.476454 461815.4181 2671.705688
Propionic acid;Methyl acetate;Hydroxyacetone;Lactaldehyde;3-Hydroxypropanal;D-Lactaldehyde;Ethyl formate 134985.5565 79692.52045 210269.2304 152284.4481 103831.0009 58261.015 186149.3168 69253.51118 65234.15458 274938.7282 204952.8895 106180.2327 161182.8877 295004.285 169569.4378 41039.79637 554855.1037 255822.4882 41857.86703 20838.1671 40585.31516 68664.13775 35413.80741 119234.2737
N,N-Dimethylformamide;Aminoacetone;3-Aminopropionaldehyde;2-(methylamino)acetaldehyde;3-amino-propanal 194435.6202 152745.2108 527959.2595 336238.2213 312849.6787 334640.9369 357293.6215 367636.2558 314298.6291 548761.155 192247.4292 197130.9446 431459.2326 437216.4152 489659.8133 313121.3758 542375.9372 551966.1345 223447.0381 213500.6706 200474.2372 240464.2066 263557.9221 197516.4752
Glutaminylthreonine;Threoninyl-Glutamine;Threoninyl-Gamma-glutamate 59436.17166 3688.282514 272213.894 317633.5577 8735.245517 3505.124743 53009.79268 3462.984565 3925.069005 5358.933492 3732.621958 40329.71177 254675.9404 99784.00493 123876.1329 3334.122736 539422.6108 136707.4849 9391.866941 3412.329918 3516.173242 7242.168183 7836.276073 29541.91041
Trans-urocanate;(E)-Urocanic acid;Nicotinamide N-oxide;5-Oxo-2(5H)-isoxazolepropanenitrile;2-Aminonicotinic acid 117761.3413 159220.7804 213340.4428 165671.7534 97871.38419 240672.3422 248467.4584 479036.6741 109156.4472 493806.3197 527818.7333 175355.3185 195287.5343 96065.67152 100919.3206 176210.1545 240497.661 142670.1417 142140.0265 135486.3773 204381.573 263904.3392 78617.596 136310.9985
Valyl-Aspartate;Hydroxyprolyl-Threonine;L-N-(3-Carboxypropyl)glutamine;Aspartyl-Valine;Threoninyl-Hydroxyproline;4-(Glutamylamino) butanoate;N2-Succinyl-L-ornithine 193006.587 142820.5965 330615.3216 267934.9319 52679.46014 44669.62348 178928.9297 38254.93587 32175.78574 76578.34671 63574.14542 56292.24292 408056.9899 205616.85 142297.9147 64785.24868 524011.7045 253634.1048 50080.09119 43230.24298 30138.40909 42114.41088 57189.21589 69876.60422
Isoleucyl-Threonine;Leucyl-Threonine;Threoninyl-Leucine;Threoninyl-Isoleucine;Spermic acid 2 57241.93197 49395.52863 229297.6879 371760.0902 77722.76186 17102.49462 59979.96599 37031.98359 36188.41278 61412.02934 47372.97784 57775.47115 143814.2227 225214.9267 195003.4619 14936.82988 519460.5857 357178.9917 51627.38031 14481.3727 27422.88225 36383.75549 35391.87798 72171.2044
gamma-Glutamylcysteine;Glutamylcysteine;Cysteinyl-Glutamate 14653.30041 6844.458991 140886.0476 393036.9508 17309.35367 2176.619532 13730.8097 2918.346404 2395.096522 21794.37303 2539.002839 10096.68696 312517.1274 111884.8001 172329.7216 2260.387859 519038.1339 293034.6384 15626.81827 1805.108708 11907.28611 14036.6567 14591.64239 67560.43556
3,4,5-trihydroxy-6-{[3-(6-hydroxy-7-methoxy-2H-1,3-benzodioxol-5-yl)prop-2-enoyl]oxy}oxane-2-carboxylic acid;3,4,5-trihydroxy-6-{[3-(7-hydroxy-6-methoxy-2H-1,3-benzodioxol-5-yl)prop-2-enoyl]oxy}oxane-2-carboxylic acid;6-{[6-(2-carboxyeth-1-en-1-yl)-5-methoxy-2H-1,3-benzodioxol-4-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid;6-{[6-(2-carboxyeth-1-en-1-yl)-4-methoxy-2H-1,3-benzodioxol-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 50061.14692 15918.78047 300176.5896 131203.1908 29225.79237 4028.099219 96015.91501 15217.40514 6573.911395 9296.037369 22173.29858 50437.36239 513489.4208 191617.7273 132628.5917 3324.311037 325925.3345 351292.5012 14573.37591 7221.728131 12334.16172 11280.84631 11706.84169 36216.14895
N-Butyrylglycine;Isobutyrylglycine;N-Propionylalanine;Allysine;Methyl aminolevulinate;L-cis-4-(Hydroxymethyl)-2-pyrrolidinecarboxylic acid;L-trans-5-Hydroxy-2-piperidinecarboxylic acid;(S)-2-amino-6-oxohexanoate;(S)-5-Amino-3-oxohexanoate;N-(2-Carboxymethyl)-morpholine;2-Keto-6-aminocaproate 74256.83621 41362.91871 481549.0611 97469.48148 27304.95152 22922.19074 288086.3032 4233.707792 19178.3859 17098.03305 6738.338053 64758.14832 242762.5732 116320.3195 143963.803 277205.7852 84849.33062 144748.5549 7164.163614 18961.60416 6502.686161 7371.053844 14139.30578 10923.56911
Marcanine A 9385.689489 5776.161531 21696.23165 8262.760437 7151.230944 5800.22888 8638.870601 9521.185852 8455.685585 40235.26634 477996.6164 6967.017836 14796.46748 10805.51163 9612.693433 12064.54003 11512.58398 10680.69225 7311.189135 6555.048334 7112.713344 7405.399874 7005.140119 13573.12786
(Z)-1-(Methylthio)-5-phenyl-1-penten-3-yne 31909.2084 17569.747 471923.2429 143660.797 30009.11539 1996.257262 250549.1558 4053.604979 1816.64449 18157.72156 21021.54302 140099.3414 182579.2522 289519.5487 165522.793 223225.7805 87108.59956 260103.9683 31440.62766 53548.496 7273.712289 12835.06844 13873.64019 31237.72404
Fructosamine;beta-D-Glucosamine 18983.06866 79203.77774 59003.04881 11783.94474 27914.20272 26947.42054 53504.35048 54480.15626 29300.156 466085.3168 17115.89299 65829.90137 52760.3774 42681.40675 51147.69386 12949.3629 30145.48587 45366.52445 8986.786948 81093.77291 4680.468619 54578.37337 60118.22675 6870.975656
Dihydroferulic acid 4-sulfate;5-(4-Acetoxy-1-butynyl)-2,2'-bithiophene;3-[4-methoxy-3-(sulfooxy)phenyl]propanoic acid 150372.4897 10617.17145 125246.4744 123253.4915 33956.87206 16562.18213 105529.3015 28170.64208 24233.544 278502.0994 128945.319 74456.30006 79314.76011 10937.71002 22868.56392 22803.48259 444934.1091 44110.52847 6677.65267 2039.558589 4388.198229 13114.34849 6073.896256 18327.07044
L-Hexahydro-3-imino-1,2,4-oxadiazepine-3-carboxylic acid 273979.7317 65744.75002 182238.2078 375057.3156 10537.10307 7311.55092 409396.5506 14752.41811 7954.67044 14769.81742 15072.7665 28878.69976 98850.73328 178547.2569 50786.78996 45188.39008 93570.64629 82618.43321 6753.136223 6655.551359 6171.37023 7469.312832 6259.811729 24022.03953
Triethylene Glycol Monomethyl Ether 57250.61757 60895.54469 377038.8937 288385.2522 218244.2712 323851.1916 88445.6888 185444.6001 150280.2607 82867.99709 312604.0862 101297.5896 130929.9559 59795.69812 45498.20362 50356.74973 89224.24015 204424.5978 88091.61963 199811.2277 97228.35349 73713.59625 135040.2966 84058.11348
Dioscorine;N,N,O-Tridesmethyltramadol 309759.6938 351714.6877 76275.9059 67632.401 70926.99164 59585.3977 99530.10685 73487.06518 86204.30798 86553.60127 104271.6184 54731.02295 70804.29824 333079.7804 314693.2506 304603.1991 85126.6322 62995.84523 87785.15384 88563.30061 71485.26743 69472.1708 59191.0603 88360.13132
Malonyl-Carnitin;(S)-carnitinium 30005.93766 20685.78359 22664.75378 22332.25478 20554.46977 17676.1059 20084.35197 210854.8121 20004.76698 167730.5387 32964.93171 284924.5179 26277.31815 28802.65203 182338.8103 26010.66909 34546.98489 26100.46527 304212.4227 14424.57219 15680.52816 13204.6634 15922.27589 15170.82189
Alanylglycine;Ureidoisobutyric acid;D-Glutamine 64247.48603 43604.24082 107765.2236 92210.77724 60199.46298 46015.79648 52092.78502 50978.93341 45116.41652 78487.203 65281.89096 72431.24427 228434.9422 21056.06447 72432.76689 42017.77681 134645.529 102977.8756 61965.38014 45079.12514 15362.59131 293181.2278 110493.8015 113899.7141
Thiosulfate;Hydroxidodioxidosulfidosulfate 845.931968 17263.64595 13796.49447 29733.37836 24365.30841 1380.052502 29321.80778 21714.69326 12000.1651 16384.65387 12987.8144 274727.688 18292.68676 5230.747639 4373.459297 13767.5246 7820.313745 4978.152746 6935.040625 10870.83581 3442.175108 764.5211307 4840.36109 7187.49667
Taurocholic acid;Taurohyocholate;Tauroursocholic acid;Tauro-b-muricholic acid;Taurallocholic acid 689.6452184 603.4457926 592.3679342 794.4198095 474.4101599 2727.881841 467.681614 455.6217148 467.4468952 776.4285253 506.2068439 3048.697531 614.1650797 601.7704862 606.5509936 517.4590182 606.1928816 533.1604047 87779.81078 5180.3054 474.0396966 6256.144887 461.7683351 112467.6202
Pyrroline hydroxycarboxylic acid;Pyrrolidonecarboxylic acid;5-Oxoprolinate;N-Acryloylglycine;1-Pyrroline-4-hydroxy-2-carboxylate;(3R,5S)-1-pyrroline-3-hydroxy-5-carboxylic Acid;dimethadione 47578.01314 24958.8938 16284.13161 40976.97341 23743.65279 20726.33065 3594.819037 24816.5066 23665.63757 29407.31515 92843.15235 38315.56169 68162.09799 40406.27917 41618.90429 23612.8727 25032.36385 55036.47989 31483.22461 3977.003636 30798.91273 23672.9479 19429.17357 24327.48995
Pyrroline hydroxycarboxylic acid;Pyrrolidonecarboxylic acid;1-Pyrroline-4-hydroxy-2-carboxylate;N-Acryloylglycine;5-Oxoprolinate;dimethadione;(3R,5S)-1-pyrroline-3-hydroxy-5-carboxylic Acid 54713169.82 43704347.38 39291602.99 70742880.32 25278541.03 18595703.9 26592876.97 12288161.28 4304770.859 48547660.89 32431366.79 34088725.04 44766194.48 76631071.24 18327420.2 18504161.78 68862733.57 27994738.79 29067146.03 19829210.59 45994039.51 55704273.97 32624922.48 47082965.59
Citraconic acid;Glutaconic acid;Methyl hydrogen fumarate;2-Pentendioate;Itaconic acid;2-Hydroxyglutaric acid lactone;2,5-Dioxopentanoate;Mesaconic acid;Gamma-delta-Dioxovaleric acid 2467680.156 2185308.309 2610437.24 1942431.896 2962109.267 1530903.559 4438708.316 2834835.262 3209886.116 4739186.539 3761401.482 2710244.121 4298233.391 3823631.252 4544035.825 2313045.039 4071222.118 4558158.254 4023914.153 1476453.061 3096665.007 4282630.882 3651483.323 5001215.541
Indoleacetaldehyde;N-Hydroxy-1-aminonaphthalene 38910718.54 21936814.95 37789184.14 10088969.93 25840213.83 26413382.66 16246940.61 18850281.37 20323002.23 15946304.17 6769094.521 17956584.89 31651522.18 27445306.63 21125513.39 19056198.12 17465605.31 13984837.49 8770797.75 14749585.56 12500714.26 14839068.44 14728393.96 11974788.39
(±)-3-Hydroxynonanoic acid;2,4,6-Triethyl-1,3,5-trioxane 960954.5517 1402189.801 1738295.789 1689247.291 1457387.588 1579177.223 1638938.495 2169243.471 1858674.784 1620171.667 2068231.48 1193298.342 1633487.306 983581.6561 1074291.202 936491.593 1843734.687 1204293.041 556659.6034 747192.0869 1618210.527 1556155.755 1369283.791 514237.9724
metabolite_name HMDB
1-Methyladenosine HMDB0003331
1-Methylnicotinamide HMDB0000699
2-Hydroxycaproic acid HMDB0001624
2-Hydroxyvaleric acid HMDB0001863
3-Hydroxymethylglutaric acid HMDB0000355
3-Methylhistidine HMDB0000479
3-Phosphoglyceric acid HMDB0000807
4-Hydroxyproline HMDB0000725
4-Pyridoxic acid HMDB0000017
4-Trimethylammoniobutanoic acid HMDB0001161
6-Phosphogluconic acid HMDB0001316
6-Phosphonoglucono-D-lactone HMDB0001127
Acetyl-CoA HMDB0001206
Acetylcysteine HMDB0001890
Adenine HMDB0000034
Adenosine HMDB0000050
Adenosine monophosphate HMDB0000045
Adenosine triphosphate HMDB0000538
ADP HMDB0001341
ADP-glucose HMDB0006557
AICAR HMDB0001517
Allantoin HMDB0000462
Aminoadipic acid HMDB0000510
Argininosuccinic acid HMDB0000052
Ascorbic acid HMDB0000044
Asymmetric dimethylarginine HMDB0001539
Betaine HMDB0000043
Butyrylcarnitine HMDB0002013
Caprylic acid HMDB0000482
Carnosine HMDB0000033
CDP-Ethanolamine HMDB0001564
Choline HMDB0000097
cis-Aconitic acid HMDB0000072
Citicoline HMDB0001413
Citric acid HMDB0000094
Citrulline HMDB0000904
Creatine HMDB0000064
Creatinine HMDB0000562
Cytidine HMDB0000089
Cytidine monophosphate HMDB0000095
Cytosine HMDB0000630
D-2-Hydroxyglutaric acid HMDB0000606
D-Fructose HMDB0000660
D-Glucose HMDB0000122
D-Glucuronic acid HMDB0000127
D-Glyceraldehyde 3-phosphate HMDB0001112
D-Ribose HMDB0000283
D-Ribose 5-phosphate HMDB0001548
D-Ribulose 5-phosphate HMDB0000618
D-Sedoheptulose 7-phosphate HMDB0001068
Deoxyuridine HMDB0000012
FAD HMDB0001248
Fructose 6-phosphate HMDB0000124
Fumaric acid HMDB0000134
Galactonic acid HMDB0000565
Gluconic acid HMDB0000625
Glucosamine HMDB0001514
Glucosamine 6-phosphate HMDB0001254
Glucose 6-phosphate HMDB0001401
Glutathione HMDB0000125
Glycerol 3-phosphate HMDB0000126
Glycerophosphocholine HMDB0000086
Glycine HMDB0000123
Guanidoacetic acid HMDB0000128
Guanine HMDB0000132
Guanosine HMDB0000133
Guanosine monophosphate HMDB0001397
Hexanoylcarnitine HMDB0000705
Hippuric acid HMDB0000714
Hypotaurine HMDB0000965
Hypoxanthine HMDB0000157
Imidazoleacetic acid HMDB0002024
Indoxyl sulfate HMDB0000682
Inosine HMDB0000195
Inosinic acid HMDB0000175
Isovalerylcarnitine HMDB0000688
Kynurenic acid HMDB0000715
L-Acetylcarnitine HMDB0000201
L-Alanine HMDB0000161
L-Arginine HMDB0000517
L-Asparagine HMDB0000168
L-Aspartic acid HMDB0000191
L-Carnitine HMDB0000062
L-Cystathionine HMDB0000099
L-Cystine HMDB0000192
L-Dihydroorotic acid HMDB0003349
L-Glutamic acid HMDB0000148
L-Glutamine HMDB0000641
L-Glyceric acid HMDB0006372
L-Histidine HMDB0000177
L-Homoserine HMDB0000719
L-Isoleucine HMDB0000172
L-Kynurenine HMDB0000684
L-Lactic acid HMDB0000190
L-Leucine HMDB0000687
L-Lysine HMDB0000182
L-Methionine HMDB0000696
L-Phenylalanine HMDB0000159
L-Pipecolic acid HMDB0000716
L-Proline HMDB0000162
L-Serine HMDB0000187
L-Threonine HMDB0000167
L-Tryptophan HMDB0000929
L-Tyrosine HMDB0000158
L-Valine HMDB0000883
Malic acid HMDB0000744
N-Acetyl-D-glucosamine HMDB0000215
N-Acetyl-glucosamine 1-phosphate HMDB0001367
N-Acetyl-L-alanine HMDB0000766
N-Acetyl-L-aspartic acid HMDB0000812
N-Acetyl-L-methionine HMDB0011745
N-Acetylasparagine HMDB0006028
N-Acetylaspartylglutamic acid HMDB0001067
N-Acetylglutamic acid HMDB0001138
N-Acetylglutamine HMDB0006029
N-Acetylornithine HMDB0003357
N-Acetylputrescine HMDB0002064
N-acetyltryptophan HMDB0013713
N-Formyl-L-methionine HMDB0001015
N6-Acetyl-L-lysine HMDB0000206
N6,N6,N6-Trimethyl-L-lysine HMDB0001325
NAD HMDB0000902
NADP HMDB0000217
Niacinamide HMDB0001406
Nicotinamide riboside HMDB0000855
O-Phosphoethanolamine HMDB0000224
Ornithine HMDB0000214
Orotic acid HMDB0000226
Oxidized glutathione HMDB0003337
Oxoglutaric acid HMDB0000208
Palmitic acid HMDB0000220
Pantothenic acid HMDB0000210
Phosphocreatine HMDB0001511
Phosphoenolpyruvic acid HMDB0000263
Phosphorylcholine HMDB0001565
Propionylcarnitine HMDB0000824
Pyroglutamic acid HMDB0000267
Pyruvic acid HMDB0000243
Riboflavin HMDB0000244
S-Adenosylhomocysteine HMDB0000939
S-Adenosylmethionine HMDB0001185
Succinic acid HMDB0000254
Taurine HMDB0000251
Thiamine HMDB0000235
Thiamine monophosphate HMDB0002666
Thymidine HMDB0000273
Uracil HMDB0000300
Ureidopropionic acid HMDB0000026
Ureidosuccinic acid HMDB0000828
Uric acid HMDB0000289
Uridine HMDB0000296
Uridine 5'-monophosphate HMDB0000288
Uridine diphosphate-N-acetylglucosamine HMDB0000290
Uridine diphosphate glucose HMDB0000286
Uridine diphosphate glucuronic acid HMDB0000935
Urocanic acid HMDB0000301
Xanthine HMDB0000292
3-Hydroxydodecanedioic acid;Dibutyl malate HMDB0000413;HMDB0031696
1-(Hydroxymethyl)-5,5-dimethyl-2,4-imidazolidinedione HMDB0031670
D-glycero-L-galacto-Octulose HMDB0029954
1,2,3-Propanetricarboxylic acid;D-Glucurono-6,3-lactone HMDB0031193;HMDB0006355
N-Acetylneuraminic acid;N-Acetyl-a-neuraminic acid HMDB0000230;HMDB0000773
5-Butyltetrahydro-2-oxo-3-furancarboxylic acid;5-(2-Methylpropyl)tetrahydro-2-oxo-3-furancarboxylic acid HMDB0030992;HMDB0030988
cis-Acetylacrylate;Norfuraneol HMDB0060461;HMDB0031859
2-hydroxymexiletine;p-hydroxymexiletine HMDB0060953;HMDB0060954
5-Butyltetrahydro-2-oxo-3-furancarboxylic acid;5-(2-Methylpropyl)tetrahydro-2-oxo-3-furancarboxylic acid.2 HMDB0030992;HMDB0030988
Muramic acid;N-(1-Deoxy-1-fructosyl)alanine HMDB0003254;HMDB0038662
D-Ornithine HMDB0003374
cis-Acetylacrylate;Norfuraneol.2 HMDB0060461;HMDB0031859
1-Methylhistidine HMDB0000001
1-[(5-Amino-5-carboxypentyl)amino]-1-deoxyfructose HMDB0034879
3-Hydroxydodecanedioic acid;Dibutyl malate.2 HMDB0000413;HMDB0031696
Citraconic acid;Glutaconic acid;Methyl hydrogen fumarate;Itaconic acid;2-Pentendioate;Mesaconic acid;2-Hydroxyglutaric acid lactone;2,5-Dioxopentanoate;Gamma-delta-Dioxovaleric acid HMDB0000634;HMDB0000620;HMDB0033809;HMDB0002092;HMDB0061185;HMDB0000749;HMDB0059743;HMDB0060365;HMDB0013233
Malondialdehyde;Pyruvaldehyde;Acrylic acid HMDB0006112;HMDB0001167;HMDB0031647
2-hydroxymexiletine;p-hydroxymexiletine.2 HMDB0060953;HMDB0060954
Piperidine HMDB0034301
trans-3-Octenedioic acid;cis-4-Octenedioic acid;2-Octenedioic acid;Diethyl fumarate;3-Isopropenylpentanedioic acid;Ethyl 2,4-dioxohexanoate HMDB0013312;HMDB0004982;HMDB0000341;HMDB0038601;HMDB0032352;HMDB0034851
L-Xylonate;Arabinonic acid;Ribonic acid;L-Lyxonate;2,3,4,5-Tetrahydroxypentanoic acid HMDB0060256;HMDB0000539;HMDB0000867;HMDB0060255;HMDB0059750
p-Chlorobenzene sulfonyl urea HMDB0014026
L-Xylonate;Arabinonic acid;Ribonic acid;L-Lyxonate;2,3,4,5-Tetrahydroxypentanoic acid.2 HMDB0060256;HMDB0000539;HMDB0000867;HMDB0060255;HMDB0059750
p-Chlorobenzene sulfonyl urea.5 HMDB0014026
N-Acetyltaurine;Homocysteinesulfinic acid HMDB0240253;HMDB0006462
p-Chlorobenzene sulfonyl urea.4 HMDB0014026
Casimiroin HMDB0033349
Casimiroin.2 HMDB0033349
D-1-[(3-Carboxypropyl)amino]-1-deoxyfructose HMDB0038663
p-Chlorobenzene sulfonyl urea.3 HMDB0014026
Muramic acid;N-(1-Deoxy-1-fructosyl)alanine.3 HMDB0003254;HMDB0038662
Malondialdehyde;Pyruvaldehyde;Acrylic acid.2 HMDB0006112;HMDB0001167;HMDB0031647
1-Methylhistidine.2 HMDB0000001
Citraconic acid;Glutaconic acid;Methyl hydrogen fumarate;Itaconic acid;2-Pentendioate;Mesaconic acid;2-Hydroxyglutaric acid lactone;2,5-Dioxopentanoate;Gamma-delta-Dioxovaleric acid.2 HMDB0000634;HMDB0000620;HMDB0033809;HMDB0002092;HMDB0061185;HMDB0000749;HMDB0059743;HMDB0060365;HMDB0013233
D-glycero-L-galacto-Octulose.2 HMDB0029954
p-Chlorobenzene sulfonyl urea.2 HMDB0014026
Leucylproline;Isoleucylproline HMDB0011175;HMDB0011174
1-[(5-Amino-5-carboxypentyl)amino]-1-deoxyfructose.2 HMDB0034879
Leucylproline;Isoleucylproline.2 HMDB0011175;HMDB0011174
D-Ornithine.2 HMDB0003374
1-(Hydroxymethyl)-5,5-dimethyl-2,4-imidazolidinedione.2 HMDB0031670
N-Acetylneuraminic acid;N-Acetyl-a-neuraminic acid.3 HMDB0000230;HMDB0000773
trans-3-Octenedioic acid;cis-4-Octenedioic acid;2-Octenedioic acid;Diethyl fumarate;3-Isopropenylpentanedioic acid;Ethyl 2,4-dioxohexanoate.2 HMDB0013312;HMDB0004982;HMDB0000341;HMDB0038601;HMDB0032352;HMDB0034851
N-Acetyltaurine;Homocysteinesulfinic acid.3 HMDB0240253;HMDB0006462
1,2,3-Propanetricarboxylic acid;D-Glucurono-6,3-lactone.2 HMDB0031193;HMDB0006355
Piperidine.4 HMDB0034301
D-1-[(3-Carboxypropyl)amino]-1-deoxyfructose.3 HMDB0038663
Allopurinol;Ethyl isopropyl disulfide;1-Pentanesulfenothioic acid;Ethyl propyl disulfide HMDB0014581;HMDB0033054;HMDB0031160;HMDB0033053
6-Oxopiperidine-2-carboxylic acid;Trimethadione;Vinylacetylglycine;5-ethyl-5-methyl-2,4-oxazolidinedione HMDB0061705;HMDB0014491;HMDB0000894;HMDB0061082
a-L-threo-4-Hex-4-enopyranuronosyl-D-galacturonic acid HMDB0039720
Traumatic acid;5-Heptyltetrahydro-2-oxo-3-furancarboxylic acid HMDB0000933;HMDB0030994
3-(1-Hydroxymethyl-1-propenyl)pentanedioic acid;Diethyl oxalpropionate HMDB0033092;HMDB0032306
Ribitol;D-Xylitol;L-Arabitol;D-Arabitol;L-2-(Hydroxymethyl)-1,2,3,4-butanetetrol HMDB0000508;HMDB0002917;HMDB0001851;HMDB0000568;HMDB0033730
3-Hydroxysuberic acid;6-(2-Hydroxyethoxy)-6-oxohexanoic acid;Diethyl L-malate HMDB0000325;HMDB0061681;HMDB0040220
3-Hydroxysebacic acid;2-Hydroxydecanedioic acid;5-Hydroxysebacate HMDB0000350;HMDB0000424;HMDB0029189
3-Oxoglutaric acid HMDB0013701
Sulfolithocholylglycine;Sulfoglycolithocholate(2-) HMDB0002639;HMDB0062801
D-1-[(3-Carboxypropyl)amino]-1-deoxyfructose.2 HMDB0038663
trans-Aconitic acid;Dehydroascorbic acid;Dehydroascorbide(1-) HMDB0000958;HMDB0001264;HMDB0062706
3-Hydroxysebacic acid;2-Hydroxydecanedioic acid;5-Hydroxysebacate.3 HMDB0000350;HMDB0000424;HMDB0029189
Alanyl-Glutamic acid;Glutamylalanine;gamma-Glutamylalanine;N-gamma-L-Glutamyl-D-alanine;Hydroxyprolyl-Serine;Serinyl-Hydroxyproline HMDB0028686;HMDB0003764;HMDB0006248;HMDB0036301;HMDB0028872;HMDB0029040
a-L-threo-4-Hex-4-enopyranuronosyl-D-galacturonic acid.2 HMDB0039720
3-Hydroxysuberic acid;6-(2-Hydroxyethoxy)-6-oxohexanoic acid;Diethyl L-malate.2 HMDB0000325;HMDB0061681;HMDB0040220
Piperidine.3 HMDB0034301
trans-Aconitic acid;Dehydroascorbic acid;Dehydroascorbide(1-).2 HMDB0000958;HMDB0001264;HMDB0062706
Alanyl-Glutamic acid;Glutamylalanine;gamma-Glutamylalanine;N-gamma-L-Glutamyl-D-alanine;Hydroxyprolyl-Serine;Serinyl-Hydroxyproline.2 HMDB0028686;HMDB0003764;HMDB0006248;HMDB0036301;HMDB0028872;HMDB0029040
Sulfolithocholylglycine;Sulfoglycolithocholate(2-).2 HMDB0002639;HMDB0062801
3-Oxoglutaric acid.2 HMDB0013701
Traumatic acid;5-Heptyltetrahydro-2-oxo-3-furancarboxylic acid.2 HMDB0000933;HMDB0030994
Methylimidazoleacetic acid;Imidazolepropionic acid;Pi-Methylimidazoleacetic acid;1,3-Dimethyluracil HMDB0002820;HMDB0002271;HMDB0004988;HMDB0002144
L-Homocysteic acid HMDB0002205
Methylimidazoleacetic acid;Imidazolepropionic acid;Pi-Methylimidazoleacetic acid;1,3-Dimethyluracil.3 HMDB0002820;HMDB0002271;HMDB0004988;HMDB0002144
L-Homocysteic acid.2 HMDB0002205
3-(1-Hydroxymethyl-1-propenyl)pentanedioic acid;Diethyl oxalpropionate.3 HMDB0033092;HMDB0032306
N-Acetyltaurine;Homocysteinesulfinic acid.2 HMDB0240253;HMDB0006462
Allopurinol;Ethyl isopropyl disulfide;1-Pentanesulfenothioic acid;Ethyl propyl disulfide.2 HMDB0014581;HMDB0033054;HMDB0031160;HMDB0033053
Ribitol;D-Xylitol;L-Arabitol;D-Arabitol;L-2-(Hydroxymethyl)-1,2,3,4-butanetetrol.2 HMDB0000508;HMDB0002917;HMDB0001851;HMDB0000568;HMDB0033730
6-Oxopiperidine-2-carboxylic acid;Trimethadione;Vinylacetylglycine;5-ethyl-5-methyl-2,4-oxazolidinedione.2 HMDB0061705;HMDB0014491;HMDB0000894;HMDB0061082
Methylimidazoleacetic acid;Imidazolepropionic acid;Pi-Methylimidazoleacetic acid;1,3-Dimethyluracil.2 HMDB0002820;HMDB0002271;HMDB0004988;HMDB0002144
3-(1-Hydroxymethyl-1-propenyl)pentanedioic acid;Diethyl oxalpropionate.2 HMDB0033092;HMDB0032306
Trifluoroacetic acid HMDB0014118
D-Proline;4-Amino-2-methylenebutanoic acid;Pterolactam;Acetamidopropanal HMDB0003411;HMDB0030409;HMDB0034208;HMDB0012880
N-Succinyl-L,L-2,6-diaminopimelate HMDB0012267
1-(sn-Glycero-3-phospho)-1D-myo-inositol HMDB0011649
N-Acetylneuraminic acid;N-Acetyl-a-neuraminic acid.2 HMDB0000230;HMDB0000773
1-(sn-Glycero-3-phospho)-1D-myo-inositol.2 HMDB0011649
Trifluoroacetic acid.2 HMDB0014118
N-Succinyl-L,L-2,6-diaminopimelate.2 HMDB0012267
D-Proline;4-Amino-2-methylenebutanoic acid;Pterolactam;Acetamidopropanal.2 HMDB0003411;HMDB0030409;HMDB0034208;HMDB0012880
Phosphate;Phosphoric acid;Dihydrogen phosphate;Hydrogen phosphate HMDB0001429;HMDB0002142;HMDB0002105;HMDB0000973
Threonic acid;Erythronic acid;L-threonic Acid HMDB0000943;HMDB0000613;HMDB0062620
Threonic acid;Erythronic acid;L-threonic Acid.2 HMDB0000943;HMDB0000613;HMDB0062620
Phosphate;Phosphoric acid;Dihydrogen phosphate;Hydrogen phosphate.2 HMDB0001429;HMDB0002142;HMDB0002105;HMDB0000973
Muramic acid;N-(1-Deoxy-1-fructosyl)alanine.2 HMDB0003254;HMDB0038662
N-(1-Deoxy-1-fructosyl)histidine HMDB0037839
N-(1-Deoxy-1-fructosyl)histidine.2 HMDB0037839
Hirsutin HMDB0035923
Beta-Guanidinopropionic acid HMDB0013222
Beta-Guanidinopropionic acid.2 HMDB0013222
Beta-Guanidinopropionic acid.3 HMDB0013222
Beta-Guanidinopropionic acid.4 HMDB0013222
3-Hydroxysebacic acid;2-Hydroxydecanedioic acid;5-Hydroxysebacate.2 HMDB0000350;HMDB0000424;HMDB0029189
Hirsutin.2 HMDB0035923
Pyrroline hydroxycarboxylic acid;Pyrrolidonecarboxylic acid;1-Pyrroline-4-hydroxy-2-carboxylate;5-Oxoprolinate;N-Acryloylglycine;dimethadione;(3R,5S)-1-pyrroline-3-hydroxy-5-carboxylic Acid HMDB0001369;HMDB0000805;HMDB0002234;HMDB0060262;HMDB0001843;HMDB0061093;HMDB0062585
Azelaic acid;Nonate;3-Methylsuberic acid;cis- and trans-Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate;2,4-Dimethylpimelic acid;(+/-)-Methyl 5-acetoxyhexanoate;(+/-)-Ethyl 3-acetoxy-2-methylbutyrate;Diethyl methylsuccinate;Diethyl glutarate;Butyl ethyl malonate HMDB0000784;HMDB0011717;HMDB0059783;HMDB0032200;HMDB0059760;HMDB0032387;HMDB0032258;HMDB0059814;HMDB0059879;HMDB0036233
Sucrose;D-Maltose;Isomaltose;Alpha-Lactose;Lactulose;Trehalose;DEAE-cellulose;Cellobiose;Melibiose;Turanose;Kojibiose;Maltulose;Epimelibiose;6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-2,3,4,5-tetrol;Allolactose;Galabiose;Fagopyritol A1;Neotrehalose;2-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol;Inulobiose;beta-Lactose;Trehalulose;Glucose-1,3-mannose oligosaccharide;Sakebiose;Glucinol;Mannobiose;3-b-Galactopyranosyl glucose;Galactinol HMDB0000258;HMDB0000163;HMDB0002923;HMDB0000186;HMDB0000740;HMDB0000975;HMDB0033368;HMDB0000055;HMDB0000048;HMDB0011740;HMDB0011742;HMDB0029919;HMDB0006792;HMDB0133305;HMDB0038489;HMDB0029902;HMDB0039876;HMDB0029880;HMDB0125600;HMDB0029898;HMDB0041627;HMDB0039727;HMDB0060068;HMDB0029882;HMDB0039237;HMDB0029933;HMDB0006603;HMDB0005826
3-O-Feruloylquinic acid;3-O-Caffeoyl-1-O-methylquinic acid;3,4,5-trihydroxy-6-[2-methoxy-4-(3-oxobut-1-en-1-yl)phenoxy]oxane-2-carboxylic acid;3,4,5-trihydroxy-6-[(5-hydroxy-2,2-dimethyl-2H-chromen-6-yl)oxy]oxane-2-carboxylic acid;3,4,5-trihydroxy-6-[(5-hydroxy-2,2-dimethyl-2H-chromen-7-yl)oxy]oxane-2-carboxylic acid;3-O-Caffeoyl-4-O-methylquinic acid;3,4,5-trihydroxy-6-{3-[(5-oxooxolan-2-yl)methyl]phenoxy}oxane-2-carboxylic acid;3,4,5-trihydroxy-6-[(7-hydroxy-2,2-dimethyl-2H-chromen-5-yl)oxy]oxane-2-carboxylic acid;6-({5,5-dimethyl-3,6-dioxatricyclo[5.4.0.0²,â´]undeca-1(11),7,9-trien-11-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-[1-(4-methoxy-1-benzofuran-5-yl)ethoxy]oxane-2-carboxylic acid;3,4,5-trihydroxy-6-[(6-hydroxy-2,2-dimethyl-2H-chromen-5-yl)oxy]oxane-2-carboxylic acid;3,4,5-trihydroxy-6-{[2-(hydroxymethyl)-2-methyl-2H-chromen-5-yl]oxy}oxane-2-carboxylic acid HMDB0030669;HMDB0039959;HMDB0135673;HMDB0126420;HMDB0126418;HMDB0039960;HMDB0127742;HMDB0126419;HMDB0126422;HMDB0129399;HMDB0126421;HMDB0126423
Pipecolic acid;D-Pipecolic acid;N-Methyl proline;Vigabatrin;L-trans-4-Methyl-2-pyrrolidinecarboxylic acid;2-Pyrrolidineacetic acid;3-Acetamidobutanal;(2E)-Decenoyl-ACP;1-Piperidine carboxylic acid;D-pipecolate;N4-Acetylaminobutanal HMDB0000070;HMDB0005960;HMDB0094696;HMDB0015212;HMDB0029435;HMDB0029444;HMDB0059649;HMDB0062225;HMDB0094697;HMDB0062767;HMDB0004226
Taurocholic acid;Taurohyocholate;Tauro-b-muricholic acid;Tauroursocholic acid;Taurallocholic acid HMDB0000036;HMDB0011637;HMDB0000932;HMDB0000889;HMDB0000922
L-2-Amino-3-(1-pyrazolyl)propanoic acid HMDB0034267
3-Hydroxytetradecanedioic acid HMDB0000394
D-Lactic acid;Hydroxypropionic acid;Glyceraldehyde;Dihydroxyacetone;Methoxyacetic acid;Monoethyl carbonate;2-hydroxypropanoic acid;Dimethyl carbonate HMDB0001311;HMDB0000700;HMDB0001051;HMDB0001882;HMDB0041929;HMDB0031232;HMDB0144295;HMDB0029580
Diethanolamine HMDB0004437
D-Lactic acid;Hydroxypropionic acid;Glyceraldehyde;Dihydroxyacetone;Methoxyacetic acid;Monoethyl carbonate;2-hydroxypropanoic acid;Dimethyl carbonate.2 HMDB0001311;HMDB0000700;HMDB0001051;HMDB0001882;HMDB0041929;HMDB0031232;HMDB0144295;HMDB0029580
L-2-Amino-3-(1-pyrazolyl)propanoic acid.2 HMDB0034267
6-Chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamine;Indoleacrylic acid;N-(2,5-Dihydroxyphenyl)pyridinium(1+) HMDB0033249;HMDB0000734;HMDB0040768
Edetic Acid HMDB0015109
DL-2-Aminooctanoic acid;Pregabalin;Methacholine;Propionylcholine HMDB0000991;HMDB0014375;HMDB0015654;HMDB0013305
3-Methylglutaconic acid;trans-2-Hexenedioic acid;Dimethyl fumarate;Ethyl hydrogen fumarate;Maleic acid homopolymer;(E)-2-Methylglutaconic acid;3-Hexenedioic acid;3-Hydroxyadipic acid 3,6-lactone HMDB0000522;HMDB0013311;HMDB0031257;HMDB0040207;HMDB0036232;HMDB0002266;HMDB0000393;HMDB0029171
Sulfate HMDB0001448
Chloramphenicol HMDB0014589
Proline betaine;L-2-Amino-3-methylenehexanoic acid;3beta,6beta-Dihydroxynortropane HMDB0004827;HMDB0030410;HMDB0038949
Citbismine C HMDB0041435
2-Hydroxyadipic acid;Levoglucosan;3-Hydroxyadipic acid;3-Methyl-3-hydroxypentanedioate;2-Hydroxy-2-ethylsuccinic acid;2(R)-Hydroxyadipic acid;D-1,5-Anhydrofructose;D-1-Deoxy-erythro-hexo-2,3-diulose;Diethyl dicarbonate HMDB0000321;HMDB0000640;HMDB0000345;HMDB0059737;HMDB0059758;HMDB0000368;HMDB0041561;HMDB0029934;HMDB0032873
Ketoleucine;3-Methyl-2-oxovaleric acid;2-Methyl-3-ketovaleric acid;4-Acetylbutyrate;Adipate semialdehyde;2-Ketohexanoic acid;Mevalonolactone;Acetoin acetate;Sherry lactone;Ethyl acetoacetate;(4S,6S)-3,4,5,6-Tetrahydro-4-hydroxy-6-methyl-2H-pyran-2-one;Methyl levulinate;5-Ethoxy-4,5-dihydro-2(3H)furanone;3-Oxohexanoic acid HMDB0000695;HMDB0000491;HMDB0000408;HMDB0061881;HMDB0012882;HMDB0001864;HMDB0006024;HMDB0033698;HMDB0033286;HMDB0031216;HMDB0033302;HMDB0041602;HMDB0031214;HMDB0010717
Formiminoglutamic acid HMDB0000854
Serotonin;Cotinine HMDB0000259;HMDB0001046
Phenol sulphate HMDB0060015
Undecanedioic acid;Butyl butyryllactate HMDB0000888;HMDB0037137
Suberic acid;2,4-Dimethyladipic acid;Dimethyl adipate;Diethyl succinate;3-Methylpimelic acid;2-Propylglutaric acid;Ethyladipic acid HMDB0000893;HMDB0059727;HMDB0041606;HMDB0033838;HMDB0059757;HMDB0060684;HMDB0002023
Tartaric acid;D-Tartaric acid;3-carboxy-2,3-dihydroxypropanoate HMDB0000956;HMDB0029878;HMDB0062642
Pelargonic acid;Butyl 3-methylbutanoate;Butyl 2-methylbutanoate;Propyl hexanoate;xi-2-Ethylheptanoic acid;Oenanthic ether;Butyl pentanoate;Isoamyl butyrate;Hexyl propionate;2-Methylpropyl 3-methylbutanoate;3-(Hydroxymethyl)-2-octanone;Methyl caprylate;4-Methyloctanoic acid;Isopropyl hexanoate;Octyl formate;1-Hydroxy-3-nonanone;1-Methylbutyl butanoate;Pentyl butanoate;Ethyl 5-methylhexanoate;Heptyl acetate;3-Octyl formate;5-Methylhexyl acetate;3-Heptyl acetate;4-Methyl-2-pentyl-1,3-dioxolane;3-Methylbutyl 2-methylpropanoate HMDB0000847;HMDB0032042;HMDB0039216;HMDB0034165;HMDB0030331;HMDB0000798;HMDB0040295;HMDB0040221;HMDB0034606;HMDB0038040;HMDB0037164;HMDB0031291;HMDB0031557;HMDB0040430;HMDB0038603;HMDB0037143;HMDB0039219;HMDB0034162;HMDB0059822;HMDB0031480;HMDB0032454;HMDB0032406;HMDB0032309;HMDB0037288;HMDB0036234
3-Methyl sulfolene HMDB0059667
p-Cresol sulfate;Benzyl sulfate HMDB0011635;HMDB0034782
(2S)-2-Butanol O-[b-D-Apiofuranosyl-(1->6)-b-D-glucopyranoside] HMDB0041255
Malathion;2,8-Di-O-methylellagic acid;2,3-Di-O-methylellagic acid;Blighinone;Inosine 2',3'-cyclic phosphate HMDB0014910;HMDB0041396;HMDB0041395;HMDB0030643;HMDB0011680
Sebacic acid;R-2-Hydroxy-3-methylbutanoic acid 3-Methylbutanoyl;3-Methylazelaic acid;2-Ethylsuberic acid;Heptylmalonic acid;Oxalic acid dibutyl ester;N-lactoyl-Isoeucine HMDB0000792;HMDB0031510;HMDB0059754;HMDB0059708;HMDB0059719;HMDB0040196;HMDB0062180
Garcinia acid HMDB0031159
m-Coumaric acid;4-Hydroxycinnamic acid;Phenylpyruvic acid;Coumaric acid;cis-p-Coumaric acid;3-(2-hydroxyphenyl)prop-2-enoic acid;3-(2,5-dihydroxyphenyl)prop-2-enal;2-Hydroxycinnamic acid;3-(4-hydroxyphenyl)oxirane-2-carbaldehyde;3-phenyloxirane-2-carboxylic acid;3-(3-hydroxyphenyl)prop-2-enoic acid;3-(2,3-dihydroxyphenyl)prop-2-enal;(2E)-3-(3,4-dihydroxyphenyl)prop-2-enal;4-methoxy-1-benzofuran-6-ol;3-(4-hydroxyphenyl)prop-2-enoic acid;3-(2-hydroxyphenyl)oxirane-2-carbaldehyde;Enol-phenylpyruvate;Methyl Phenylglyoxalate;Trans-3-coumarate;Cis-2-coumarate HMDB0001713;HMDB0002035;HMDB0000205;HMDB0041592;HMDB0030677;HMDB0134028;HMDB0134030;HMDB0002641;HMDB0141768;HMDB0126545;HMDB0125104;HMDB0134029;HMDB0141767;HMDB0129375;HMDB0128076;HMDB0134031;HMDB0012225;HMDB0062605;HMDB0062774;HMDB0062655
2-Hydroxyethanesulfonate;Ethyl hydrogen sulfate HMDB0003903;HMDB0031233
Mexiletine;Methylephedrine;3-Ethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;5-Ethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;2,3,4,5,6,7-Hexahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one;trans-4,5-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;7-Ethyl-2,3,4,5,6,7-hexahydrocyclopent[b]azepin-8(1H)-one;3,4-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;Methoxyphenamine HMDB0014523;HMDB0041932;HMDB0039675;HMDB0039676;HMDB0039684;HMDB0039686;HMDB0039683;HMDB0039677;HMDB0041930
Acetoacetic acid;2-Ketobutyric acid;Acetic anhydride;Succinic acid semialdehyde;(S)-Methylmalonic acid semialdehyde;4-Hydroxycrotonic acid;2-Methyl-3-oxopropanoic acid HMDB0000060;HMDB0000005;HMDB0031646;HMDB0001259;HMDB0002217;HMDB0003381;HMDB0001172
S-(Formylmethyl)glutathione HMDB0060507
gamma-Glutamylleucine;gamma-Glutamylisoleucine;Isoleucyl-Glutamate;Leucyl-Glutamate;Glutamylleucine;Glutamylisoleucine HMDB0011171;HMDB0011170;HMDB0028906;HMDB0028928;HMDB0028823;HMDB0028822
3-Methylglutarylcarnitine;O-Adipoylcarnitine HMDB0000552;HMDB0061677
Anserine;Homocarnosine;Balenine HMDB0000194;HMDB0000745;HMDB0005769
Glutaric acid;Methylsuccinic acid;Ethylmalonic acid;(S)-Methylbutanethioic acid;Dimethylmalonic acid;2-Hydroxy-4-oxopentanoic acid;2-Deoxy-L-ribono-1,4-lactone;2-C-Methyl-1,4-erythrono-D-lactone;Monoethyl malonic acid;2-Acetolactate ;(S)-2-Acetolactate HMDB0000661;HMDB0001844;HMDB0000622;HMDB0061879;HMDB0002001;HMDB0040531;HMDB0033958;HMDB0029884;HMDB0000576;HMDB0006833;HMDB0006855
Citraconic acid;Glutaconic acid;Methyl hydrogen fumarate;Itaconic acid;2-Pentendioate;2,5-Dioxopentanoate;Mesaconic acid;2-Hydroxyglutaric acid lactone;Gamma-delta-Dioxovaleric acid HMDB0000634;HMDB0000620;HMDB0033809;HMDB0002092;HMDB0061185;HMDB0060365;HMDB0000749;HMDB0059743;HMDB0013233
2-Hydroxyadipic acid;Levoglucosan;3-Hydroxyadipic acid;3-Methyl-3-hydroxypentanedioate;2-Hydroxy-2-ethylsuccinic acid;2(R)-Hydroxyadipic acid;D-1-Deoxy-erythro-hexo-2,3-diulose;D-1,5-Anhydrofructose;Diethyl dicarbonate HMDB0000321;HMDB0000640;HMDB0000345;HMDB0059737;HMDB0059758;HMDB0000368;HMDB0029934;HMDB0041561;HMDB0032873
11,12-Epoxyeicosatrienoic acid;5-HETE;12-HETE;15(S)-HETE;20-Hydroxyeicosatetraenoic acid;13-HETE;11(R)-HETE;8-HETE;9-HETE;16(R)-HETE;Crispane;(ent-2alpha,3beta,15beta)-16-Kaurene-2,3,15-triol;8alpha,13R-Epoxy-14-labden-19-oic acid;12 Hydroxy arachidonic acid;(ent-2alpha,3beta,15beta,16beta)-15,16-Epoxy-2,3-kauranediol;Annoglabasin E;10-HETE;14R,15S-EpETrE;Ucriol;17-HETE;8-hydroxy-5Z,9E,11Z,14Z-eicosatetraenoic acid;11,12-EpETrE;7-HETE;12S-hydroxy-5E,8Z,10Z,14Z-eicosatetraenoic acid;15R-hydroxy-5Z,8Z,11Z,13E-eicosatetraenoic acid;18-Hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid;19(S)-HETE;14,15-Epoxy-5,8,11-eicosatrienoic acid;5,6-Epoxy-8,11,14-eicosatrienoic acid;8,9-Epoxyeicosatrienoic acid;18-Hydroxyarachidonic acid;12,15-Epoxy-13,14-dimethyloctadeca-10,12,14-trienoic acid;12,15-Epoxy-13,14-dimethyloctadeca-12,14,16-trienoic acid;2-Hydroxy-6-tridecylbenzoic acid HMDB0004673;HMDB0011134;HMDB0006111;HMDB0003876;HMDB0005998;HMDB0012567;HMDB0004682;HMDB0004679;HMDB0010222;HMDB0004680;HMDB0038694;HMDB0038689;HMDB0036810;HMDB0060101;HMDB0038688;HMDB0036262;HMDB0012508;HMDB0002283;HMDB0036705;HMDB0012598;HMDB0062433;HMDB0010409;HMDB0062431;HMDB0062287;HMDB0062294;HMDB0062302;HMDB0011136;HMDB0004264;HMDB0002190;HMDB0002232;HMDB0006245;HMDB0112068;HMDB0112071;HMDB0038520
8-[(Aminomethyl)sulfanyl]-6-sulfanyloctanoic acid;Fructoseglycine;N-(1-Deoxy-1-fructosyl)glycine HMDB0013639;HMDB0060278;HMDB0037848
Caproylcholine HMDB0013224
(S)-Homostachydrine;Tranexamic Acid HMDB0033433;HMDB0014447
Isocitric acid;Diketogulonic acid;2,3-diketogulonate;(1R,2R)-Isocitric acid;2,3-Diketo-L-gulonate;D-Glucaro-1,4-lactone;D-threo-Isocitric acid HMDB0000193;HMDB0005971;HMDB0062803;HMDB0033717;HMDB0006511;HMDB0041862;HMDB0001874
Methyl 1-(2-propenylsulfinyl)propyl disulfide;Methyl 1-(1-propenylsulfinyl)propyl disulfide;1-(Methylsulfinyl)propyl 2-propenyl disulfide;1-(Methylsulfinyl)propyl 1-propenyl disulfide HMDB0033076;HMDB0033077;HMDB0033059;HMDB0033058
2-Aminobenzoic acid;Trigonelline;p-Aminobenzoic acid;3-Pyridylacetic acid;Salicylamide;Methyl nicotinate;m-Aminobenzoic acid;2-Pyridylacetic acid HMDB0001123;HMDB0000875;HMDB0001392;HMDB0001538;HMDB0015687;HMDB0029806;HMDB0001891;HMDB0060722
N-Undecanoylglycine HMDB0013286
Trimethylamine N-oxide;1-Amino-propan-2-ol;2-(methylamino)ethan-1-ol;3-aminopropan-1-ol HMDB0000925;HMDB0012136;HMDB0142449;HMDB0140038
Glutarylcarnitine HMDB0013130
Linoleic acid;Dihomolinoleic acid;9E,11E-Octadecadienoic acid;Ethyl 2E,4Z-hexadecadienoate;Mangiferic acid;5-Octadecynoic acid;Linalyl caprylate;Linoelaidic acid;6Z,9Z-octadecadienoic acid;Octadecadienoate;Bovinic acid;10E,12Z-Octadecadienoic acid HMDB0000673;HMDB0061864;HMDB0005047;HMDB0031051;HMDB0029800;HMDB0031097;HMDB0030430;HMDB0006270;HMDB0062238;HMDB0062784;HMDB0003797;HMDB0005048
Xanthosine HMDB0000299
2,4-Diamino-6-nitrotoluene;(S)-Spinacine HMDB0060362;HMDB0029873
3-Methoxytyramine;4-Methoxytyramine;Phenylephrine;p-Synephrine;Metaraminol;Ethinamate;2-(2-Furanyl)-3-piperidinol;Norpandamarilactonine A;Epinine;4-Hydroxynorephedrine;a-Methyldopamine;D-synephrine;1-(3-Pyridinyl)-1,4-butanediol HMDB0000022;HMDB0012162;HMDB0002182;HMDB0004826;HMDB0014748;HMDB0015165;HMDB0039837;HMDB0038869;HMDB0032020;HMDB0060592;HMDB0060807;HMDB0062811;HMDB0062266
2-Furoic acid;3-Furoic acid;3-Hydroxy-2H-pyran-2-one;2,3-Dihydroxy-2,4-cyclopentadien-1-one HMDB0000617;HMDB0000444;HMDB0032994;HMDB0039437
I(-) HMDB0059634
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,8-trimethoxy-4H-chromen-4-one;2-(2,3-dihydroxy-4-methoxyphenyl)-5-hydroxy-3,6,7-trimethoxy-4H-chromen-4-one;3,4,5-trihydroxy-6-[2-(phenoxycarbonyl)phenoxy]oxane-2-carboxylic acid;2-(3,4-dimethoxyphenyl)-5,6,8-trihydroxy-3,7-dimethoxy-4H-chromen-4-one;2-(2,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-3,6,7-trimethoxy-4H-chromen-4-one;6-({3-[(1E)-buta-1,3-dien-1-yl]-1-oxo-1H-isochromen-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid;5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,8-trimethoxy-4H-chromen-4-one HMDB0136142;HMDB0130259;HMDB0135167;HMDB0129269;HMDB0130260;HMDB0130059;HMDB0136138
Ophthalmic acid HMDB0005765
D-Xylose;L-Arabinose;D-Xylulose;D-Arabinose;L-Ribulose;L-Threo-2-pentulose;Arabinofuranose;2-Deoxyribonic acid;Aldehydo-D-xylose;3-hydroxy-2,2-bis(hydroxymethyl)propanoic acid;2-Deoxypentonic acid;beta-Arabinose;D-Apiose HMDB0000098;HMDB0000646;HMDB0001644;HMDB0029942;HMDB0003371;HMDB0000751;HMDB0012325;HMDB0000366;HMDB0060254;HMDB0127617;HMDB0059753;HMDB0094694;HMDB0029941
3-Methoxytyramine;4-Methoxytyramine;Phenylephrine;p-Synephrine;Metaraminol;Ethinamate;Epinine;2-(2-Furanyl)-3-piperidinol;Norpandamarilactonine A;D-synephrine;1-(3-Pyridinyl)-1,4-butanediol;a-Methyldopamine;4-Hydroxynorephedrine HMDB0000022;HMDB0012162;HMDB0002182;HMDB0004826;HMDB0014748;HMDB0015165;HMDB0032020;HMDB0039837;HMDB0038869;HMDB0062811;HMDB0062266;HMDB0060807;HMDB0060592
N-(1-Deoxy-1-fructosyl)threonine HMDB0037843
Cinnamyl benzoate;Benzyl cinnamate;4'-Methoxychalcone;15(R)-hydroperoxy-EPE HMDB0029700;HMDB0040286;HMDB0032585;HMDB0062295
Hydroxybutyrylcarnitine;(R)-3-hydroxybutyrylcarnitine HMDB0013127;HMDB0062735
2,4,6-Triethyl-1,3,5-trioxane;(±)-3-Hydroxynonanoic acid HMDB0034040;HMDB0031513
Pyrroline hydroxycarboxylic acid;Pyrrolidonecarboxylic acid;N-Acryloylglycine;1-Pyrroline-4-hydroxy-2-carboxylate;5-Oxoprolinate;(3R,5S)-1-pyrroline-3-hydroxy-5-carboxylic Acid;dimethadione HMDB0001369;HMDB0000805;HMDB0001843;HMDB0002234;HMDB0060262;HMDB0062585;HMDB0061093
alpha-Ketoisovaleric acid;Levulinic acid;2-Methylacetoacetic acid;2-Oxovaleric acid;(2E)-4-hydroxy-3-methylbut-2-enoic acid;4-hydroxy-3-methylbut-2-enoic acid;2-(hydroxymethyl)but-2-enoic acid;(2Z)-2-(hydroxymethyl)but-2-enoic acid;Glutarate semialdehyde;Ethyl pyruvate;Methylacetoacetic acid;Acetoxyacetone;2,3-dimethyloxirane-2-carboxylic acid;dimethyloxirane-2-carboxylic acid;4-hydroxy-2-methylbut-2-enoic acid;3-keto-2-Methylbutyrate HMDB0000019;HMDB0000720;HMDB0003771;HMDB0001865;HMDB0128943;HMDB0128916;HMDB0132477;HMDB0129096;HMDB0012233;HMDB0031643;HMDB0000310;HMDB0034466;HMDB0129098;HMDB0128917;HMDB0129097;HMDB0029172
1-Isothiocyanato-7-(methylsulfinyl)heptane HMDB0038441
Tromethamine HMDB0240288
Phenmetrazine;1-(2,3-Dihydro-5-ethyl-1H-pyrrolizin-7-yl)ethanone;(S)-Valerianine;7-Ethyl-2,3,6,7-tetrahydrocyclopent[b]azepin-8(1H)-one;1-(2,3-Dihydro-5,6-dimethyl-1H-pyrrolizin-7-yl)ethanone;1-(2,3-Dihydro-1H-pyrrolizin-5-yl)-1-butanone;5-Acetyl-2,3-dihydro-6,7-dimethyl-1H-pyrrolizine;2,3-Dihydro-6-methyl-5-propanoyl-1H-pyrrolizine;2,3-Dihydro-7-methyl-5-propanoyl-1H-pyrrolizine;2,3,6,7-Tetrahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one;Mephedrone HMDB0014968;HMDB0040019;HMDB0033484;HMDB0039664;HMDB0040027;HMDB0040014;HMDB0040020;HMDB0040018;HMDB0040017;HMDB0039667;HMDB0041923
LysoPC(18:2(9Z,12Z));2-linoleoyl-sn-glycero-3-phosphocholine HMDB0010386;HMDB0062711
Chloroform HMDB0029596
4-Guanidinobutanoic acid HMDB0003464
N,O-Didesmethyltramadol;N,N-Didesmethyltramadol HMDB0060851;HMDB0060849
N1-Methyl-2-pyridone-5-carboxamide;N1-Methyl-4-pyridone-3-carboxamide HMDB0004193;HMDB0004194
Acetoacetic acid;2-Ketobutyric acid;Acetic anhydride;Succinic acid semialdehyde;4-Hydroxycrotonic acid;(S)-Methylmalonic acid semialdehyde;2-Methyl-3-oxopropanoic acid HMDB0000060;HMDB0000005;HMDB0031646;HMDB0001259;HMDB0003381;HMDB0002217;HMDB0001172
3-Methyladipic acid;Pimelic acid;2-Methyladipic acid;2-Ethylglutaric acid;Mono-methyl-adipate;2,2-Dimethylglutaric acid;Ethyl methyl_succinate;Diethyl malonate;Propyleneglycol diacetate;3,3-Dimethylglutaric acid HMDB0000555;HMDB0000857;HMDB0029167;HMDB0059738;HMDB0059722;HMDB0061676;HMDB0059893;HMDB0029573;HMDB0041605;HMDB0002441
(E)-Avenanthramide D;Avenanthramide 1p HMDB0038943;HMDB0029282
gamma-Aminobutyric acid;L-alpha-Aminobutyric acid;Dimethylglycine;3-Aminoisobutanoic acid;2-Aminoisobutyric acid;D-alpha-Aminobutyric acid;3-Aminobutyrate;(S)-b-aminoisobutyric acid;(R)-b-aminoisobutyric acid;N-Methylalanine;Butyl nitrite;O-Acetylethanolamine;3-Aminobutanoic acid;N-Ethylglycine HMDB0000112;HMDB0000452;HMDB0000092;HMDB0003911;HMDB0001906;HMDB0000650;HMDB0094693;HMDB0002166;HMDB0002299;HMDB0094692;HMDB0031329;HMDB0038394;HMDB0031654;HMDB0041945
Zanamivir HMDB0014698
Glycerylphosphorylethanolamine;sn-glycero-3-Phosphoethanolamine HMDB0000114;HMDB0059660
1-Nitroheptane;2-Aminoheptanoate;3-Dehydroxycarnitine HMDB0013811;HMDB0094649;HMDB0006831
N-Methylnicotinamide;Pralidoxime;2-Methylnicotinamide;4-Acetyl-2-methylpyrimidine;2-Aminobenzamide;2-Acetyl-3-methylpyrazine;1,2-Diacylglycerol-Bile-PC-pool;1,2-Diacylglycerol-LD-PC-pool HMDB0003152;HMDB0014871;HMDB0059711;HMDB0037819;HMDB0033947;HMDB0030001;HMDB0062267;HMDB0062268
1-Octen-3-yl glucoside HMDB0032959
9-Oxo-nonanoic acid;Tetrahydrofurfuryl butyrate;Butyl 3-hydroxy-2-methylidenebutanoate;3-Methylbutyl 3-oxobutanoate;cis-3-Hexenyl lactate;5-Pentyl-1,4-dioxan-2-one;Butyl levulinate;4-Hydroperoxy-2-nonenal;2-Methylpropyl 3-hydroxy-2-methylidenebutanoate;6-Pentyl-1,4-dioxan-2-one HMDB0094711;HMDB0036188;HMDB0040202;HMDB0036396;HMDB0036213;HMDB0059936;HMDB0040165;HMDB0060287;HMDB0040203;HMDB0059937
Trichloroacetic acid HMDB0042048
N-(1-Deoxy-1-fructosyl)leucine;N-(1-Deoxy-1-fructosyl)isoleucine HMDB0037840;HMDB0039780
9,13-Dihydroxy-4-megastigmen-3-one 9-glucoside;Icariside B8;Dihydroroseoside;5a,6a-Epoxy-7E-megastigmene-3b,9e-diol 9-glucoside;5a,6a-Epoxy-7E-megastigmene-3a,9e-diol 3-glucoside HMDB0036318;HMDB0036846;HMDB0040614;HMDB0038306;HMDB0031676
Leucyl-Serine;Serylleucine;Serylisoleucine;Isoleucyl-Serine;Valyl-Threonine;Threoninyl-Valine;Meprobamate;Pantothenamide;L-Lysopine HMDB0028938;HMDB0029043;HMDB0029042;HMDB0028916;HMDB0029137;HMDB0029074;HMDB0014515;HMDB0041313;HMDB0033675
Adipic acid;Methylglutaric acid;2-Methylglutaric acid;4-Ethoxy-4-oxobutanoic acid;Solerol;Dimethyl succinate;Monomethyl glutaric acid;2,2-Dimethylsuccinic acid;(S)-2-Aceto-2-hydroxybutanoic acid HMDB0000448;HMDB0000752;HMDB0000422;HMDB0061930;HMDB0002173;HMDB0033837;HMDB0000858;HMDB0002074;HMDB0006900
Cinitapride;Acetyl tributyl citrate HMDB0015698;HMDB0034159
Guanidinosuccinic acid HMDB0003157
5-Aminoimidazole ribonucleotide;5-amino-1-(5-phosphonato-D-ribosyl)imidazol-3-ium HMDB0001235;HMDB0062575
Oleic acid;Vaccenic acid;Elaidic acid;cis-Vaccenic acid;Octadec-9-enoic Acid;(Z)-13-Octadecenoic acid;7Z-octadecenoic acid;(E)-13-Octadecenoic acid;Ethyl 9-hexadecenoate;Petroselinic acid HMDB0000207;HMDB0003231;HMDB0000573;HMDB0240219;HMDB0062703;HMDB0041480;HMDB0062242;HMDB0062218;HMDB0059871;HMDB0002080
Glycerol 1-(5-hydroxydodecanoate) HMDB0040168
N2-Fructopyranosylarginine HMDB0041541
S-2-Propenyl propanethioate;2-Ethyldihydro-3(2H)-thiophenone;2-[(Methylthio)methyl]-2-butenal HMDB0037493;HMDB0040238;HMDB0031370
4-ethylphenylsulfate;3-ethylphenyl Sulfate HMDB0062551;HMDB0062721
(R)-2-Nitro-p-mentha-1,5-diene;cis-6-Nitro-p-mentha-1(7),2-diene;2-(5-Methyl-2-furanyl)-3-piperidinol;2,5-Dimethyl-4-(1-pyrrolidinyl)-3(2H)-furanone;beta-O-Methylynephrine;5-(1-Pyrrolidinylmethyl)-2-furanmethanol;3-O-Methyl-a-methyldopamine;3,4-Dimethoxyphenylethylamine HMDB0036090;HMDB0035195;HMDB0039838;HMDB0039784;HMDB0033868;HMDB0040038;HMDB0060748;HMDB0041806
2-Hydroxyadipic acid;Levoglucosan;3-Hydroxyadipic acid;2-Hydroxy-2-ethylsuccinic acid;3-Methyl-3-hydroxypentanedioate;D-1-Deoxy-erythro-hexo-2,3-diulose;2(R)-Hydroxyadipic acid;Diethyl dicarbonate;D-1,5-Anhydrofructose HMDB0000321;HMDB0000640;HMDB0000345;HMDB0059758;HMDB0059737;HMDB0029934;HMDB0000368;HMDB0032873;HMDB0041561
Glycodiazine HMDB0015461
2-Hydroxypyridine;1H-Pyrrole-2-carboxaldehyde HMDB0013751;HMDB0036057
Pyrocatechol sulfate;Hydroquinone sulfate HMDB0059724;HMDB0240263
Caffeic acid;4-Hydroxyphenylpyruvic acid;Aspirin;Monomethyl phthalate;(E)-3-(2,3-Dihydroxyphenyl)-2-propenoic acid;3-(3,5-Dihydroxyphenyl)-2-propenoic acid;(2E)-3-(2,4-dihydroxyphenyl)prop-2-enoic acid;3-(3-hydroxyphenyl)oxirane-2-carboxylic acid;(2E)-3-(2,5-dihydroxyphenyl)prop-2-enoic acid;3-(2-hydroxyphenyl)oxirane-2-carboxylic acid;3-(3,5-dihydroxyphenyl)prop-2-enoic acid;3-(3,4-dihydroxyphenyl)prop-2-enoic acid;3-(2,5-dihydroxyphenyl)prop-2-enoic acid;(2E)-3-(2,3-dihydroxyphenyl)prop-2-enoic acid;3,4-Dihydroxy-trans-cinnamate;3-(2,4-dihydroxyphenyl)prop-2-enoic acid;3-(4-hydroxyphenyl)oxirane-2-carboxylic acid;(2E)-3-(3,5-dihydroxyphenyl)prop-2-enoic acid;3-Hydroxyphenylpyruvic acid;2-Hydroxy-3-(4-hydroxyphenyl)propenoic acid HMDB0001964;HMDB0000707;HMDB0001879;HMDB0002130;HMDB0032057;HMDB0032131;HMDB0126377;HMDB0140955;HMDB0140956;HMDB0134040;HMDB0125589;HMDB0125102;HMDB0134041;HMDB0140954;HMDB0003501;HMDB0132508;HMDB0125805;HMDB0125527;HMDB0011663;HMDB0006915
Glucaric acid;Galactaric acid;D-Glucaric acid HMDB0000663;HMDB0000639;HMDB0029881
Palmitoleic acid;Palmitelaidic acid;Hypogeic acid;(E)-3-Hexadecenoic acid;Citronellyl hexanoate;(Z)-13-Hexadecenoic acid;(E)-11-Hexadecenoic acid;(Z)-5-Hexadecenoic acid;(Z)-14-Methyl-6-pentadecenoic acid;(E)-6-Hexadecenoic acid;Trans-Hexa-dec-2-enoic acid;15-Hexadecanolide;5-Dodecyldihydro-2(3H)-furanone HMDB0003229;HMDB0012328;HMDB0002186;HMDB0033791;HMDB0038958;HMDB0035877;HMDB0037647;HMDB0032638;HMDB0041422;HMDB0031053;HMDB0010735;HMDB0031711;HMDB0031145
Ascorbic acid-2-sulfate HMDB0060649
Hydroxyprolyl-Isoleucine;Isoleucyl-Hydroxyproline;Leucyl-Hydroxyproline;Hydroxyprolyl-Leucine HMDB0028866;HMDB0028908;HMDB0028930;HMDB0028867
Histamine;Betazole;Histamium HMDB0000870;HMDB0014417;HMDB0060263
2-Diethylaminoethanol HMDB0033971
Dodecanoic acid;Octyl butanoate;Ethyl decanoate;Isopropyl nonanoate;Decyl acetate;Octyl 2-methylpropanoate;(R)-Dihydrocitronellol acetate;2-Heptyl butyrate;Pentyl heptanoate;Hexyl hexanoate;Isobutyl octanoate;Nonanal propyleneglycol acetal HMDB0000638;HMDB0034136;HMDB0030998;HMDB0034128;HMDB0040166;HMDB0034137;HMDB0035410;HMDB0032310;HMDB0036225;HMDB0033619;HMDB0059868;HMDB0032440
Tolmetin glucuronide HMDB0042044
S-Acetyldihydrolipoamide;S-Acetyldihydrolipoamide-E HMDB0001526;HMDB0006878
N-gamma-Glutamylglutamine;N2-gamma-Glutamylglutamine;Glutamylglutamine;Glutamyl-Gamma-glutamate;Glutaminylglutamic acid;Norophthalmic acid HMDB0029147;HMDB0011738;HMDB0028817;HMDB0028833;HMDB0028796;HMDB0005766
Glutaric acid;Methylsuccinic acid;Ethylmalonic acid;(S)-Methylbutanethioic acid;Dimethylmalonic acid;2-Hydroxy-4-oxopentanoic acid;2-C-Methyl-1,4-erythrono-D-lactone;2-Deoxy-L-ribono-1,4-lactone;Monoethyl malonic acid;2-Acetolactate ;(S)-2-Acetolactate HMDB0000661;HMDB0001844;HMDB0000622;HMDB0061879;HMDB0002001;HMDB0040531;HMDB0029884;HMDB0033958;HMDB0000576;HMDB0006833;HMDB0006855
(4-ethenyl-2,6-dihydroxyphenyl)oxidanesulfonic acid;Vanillin 4-sulfate;2,4-Dihydroxyacetophenone 5-sulfate;2-[3-(sulfooxy)phenyl]acetic acid;2-[4-(sulfooxy)phenyl]acetic acid HMDB0128010;HMDB0041789;HMDB0041646;HMDB0125163;HMDB0132500
2-(2,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-3,6,7-trimethoxy-4H-chromen-4-one;6-({3-[(1E)-buta-1,3-dien-1-yl]-1-oxo-1H-isochromen-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid;5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,8-trimethoxy-4H-chromen-4-one;5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,8-trimethoxy-4H-chromen-4-one;2-(2,3-dihydroxy-4-methoxyphenyl)-5-hydroxy-3,6,7-trimethoxy-4H-chromen-4-one;2-(3,4-dimethoxyphenyl)-5,6,8-trihydroxy-3,7-dimethoxy-4H-chromen-4-one;3,4,5-trihydroxy-6-[2-(phenoxycarbonyl)phenoxy]oxane-2-carboxylic acid HMDB0130260;HMDB0130059;HMDB0136138;HMDB0136142;HMDB0130259;HMDB0129269;HMDB0135167
3-Hydroxyoctanoic acid;Hydroxyoctanoic acid;7-Hydroxyoctanoic acid;8-Hydroxyoctanoate;(R)-2-Hydroxycaprylic acid;3-Hydroxyvalproic acid;5-Hydroxyvalproic acid;4-Hydroxyvalproic acid;(+/-)-Ethyl 2-hydroxy-3-methylvalerate;Ethyl 2-hydroxy-4-methylpentanoate;Ethyl (±)-3-hydroxyhexanoate;Peroxyoctanoic acid;Isoamyl lactate;(7R)-7-hydroxyoctanoic Acid;(R)-3-Hydroxyoctanoic acid HMDB0001954;HMDB0000711;HMDB0000486;HMDB0061914;HMDB0002264;HMDB0013899;HMDB0013898;HMDB0013900;HMDB0032270;HMDB0059867;HMDB0031509;HMDB0032827;HMDB0059825;HMDB0062596;HMDB0010722
Kuwanon Z HMDB0033297
D-Xylose;L-Arabinose;D-Xylulose;D-Arabinose;L-Ribulose;L-Threo-2-pentulose;Arabinofuranose;2-Deoxyribonic acid;3-hydroxy-2,2-bis(hydroxymethyl)propanoic acid;Aldehydo-D-xylose;beta-Arabinose;2-Deoxypentonic acid;D-Apiose HMDB0000098;HMDB0000646;HMDB0001644;HMDB0029942;HMDB0003371;HMDB0000751;HMDB0012325;HMDB0000366;HMDB0127617;HMDB0060254;HMDB0094694;HMDB0059753;HMDB0029941
Glucosereductone;Malonic semialdehyde;2-hydroxyacrylic Acid HMDB0040261;HMDB0011111;HMDB0062676
LysoPC(16:0);1-palmitoylglycerophosphocholine;2-Palmitoylglycerophosphocholine;LysoPC(0:0/16:0) HMDB0010382;HMDB0062541;HMDB0061702;HMDB0240262
3-Methylglutaconic acid;trans-2-Hexenedioic acid;Ethyl hydrogen fumarate;Maleic acid homopolymer;Dimethyl fumarate;(E)-2-Methylglutaconic acid;3-Hexenedioic acid;3-Hydroxyadipic acid 3,6-lactone HMDB0000522;HMDB0013311;HMDB0040207;HMDB0036232;HMDB0031257;HMDB0002266;HMDB0000393;HMDB0029171
Methylisopelletierine;2-(1-Pyrrolidinyl)-3-pentanone;3-(1-Pyrrolidinyl)-2-pentanone;2,2,6,6-Tetramethyl-4-piperidinone HMDB0030326;HMDB0039834;HMDB0039833;HMDB0031179
Dodecanedioic acid;Bis(1-methylethyl) hexanedioate;Dipropyl hexanedioate;Talaromycin A HMDB0000623;HMDB0041613;HMDB0041614;HMDB0030143
Threoninyl-Asparagine;Serinyl-Gamma-glutamate;Serylglutamine;Asparaginyl-Threonine;Glutaminylserine HMDB0029056;HMDB0029053;HMDB0029037;HMDB0028741;HMDB0028806
N-3,7-Dimethyl-2,6-octadienylcyclopropylcarboxamide;N-Isobutyl-2,4,8-decatrienamide;Sarmentine HMDB0032240;HMDB0030188;HMDB0038840
Sulcatone;3-Octen-2-one;2-Octenal;(E)-2-octenal;2-Ethyl-2-hexenal;(3xi,5Z)-1,5-Octadien-3-ol;2,5-Octadien-1-ol;(2E,4E)-2,4-Octadien-1-ol;(3E,5Z)-3,5-Octadien-1-ol;1-Octen-3-one;(S,E)-Filbertone;5-Methyl-5-hepten-2-one;2,4,4-Trimethylcyclopentanone;2-Ethylidenehexanal;6-Methyl-3-hepten-2-one, trans-;2-Octen-4-one;6-Octenal;3-Methyl-3-hepten-2-one;(Z)-5-Octenal;4-Octen-3-one;5-Octen-2-one HMDB0035915;HMDB0033547;HMDB0030961;HMDB0013809;HMDB0061945;HMDB0030966;HMDB0040146;HMDB0040151;HMDB0040149;HMDB0031309;HMDB0035242;HMDB0031591;HMDB0031197;HMDB0037152;HMDB0032403;HMDB0031301;HMDB0039769;HMDB0031590;HMDB0039770;HMDB0032451;HMDB0035390
Glutamylglycine;Aspartyl-Alanine;Glycyl-Glutamate;gamma-Glutamylglycine;L-beta-aspartyl-L-alanine ;Alanyl-Aspartic acid HMDB0028819;HMDB0028746;HMDB0028840;HMDB0011667;HMDB0011162;HMDB0028683
Mexiletine;Methylephedrine;7-Ethyl-2,3,4,5,6,7-hexahydrocyclopent[b]azepin-8(1H)-one;3,4-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;3-Ethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;5-Ethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;trans-4,5-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;2,3,4,5,6,7-Hexahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one;Methoxyphenamine HMDB0014523;HMDB0041932;HMDB0039683;HMDB0039677;HMDB0039675;HMDB0039676;HMDB0039686;HMDB0039684;HMDB0041930
Oxoadipic acid;2-Methyl-4-oxopentanedioic acid;3-Oxoadipic acid HMDB0000225;HMDB0039447;HMDB0000398
N-Desmethyl tapentadol HMDB0060611
N-Acetylarylamine;2'-Aminoacetophenone;2-Aminoacetophenone;2,3-Dihydro-1H-pyrrolizine-5-carboxaldehyde;4-Acetyl-3-methylpyridine;2-Acetyl-5-methylpyridine;5-(2-Furanyl)-3,4-dihydro-2H-pyrrole;2-Acetyl-4-methylpyridine;4-Acetyl-2-methylpyridine;2-Acetyl-6-methylpyridine;2-Phenylacetamide HMDB0001250;HMDB0032630;HMDB0032628;HMDB0040008;HMDB0040224;HMDB0040222;HMDB0040013;HMDB0037071;HMDB0040223;HMDB0037072;HMDB0010715
Monomenthyl succinate;5-Nonyltetrahydro-2-oxo-3-furancarboxylic acid;(6R,8Z)-6-Hydroxy-3-oxotetradecenoic acid;(6S,8Z)-6-Hydroxy-3-oxotetradecenoic acid HMDB0036143;HMDB0030993;HMDB0062363;HMDB0062364
Thiolutin HMDB0034228
3-Oxotetradecanoic acid;6-Ketomyristic acid;L-Menthyl (R,S)-3-hydroxybutyrate HMDB0010730;HMDB0030982;HMDB0032370
Maltol;1,2,3-Trihydroxybenzene;1,3,5-Trihydroxybenzene;Methyl 2-furoate;(Z)-Tamarindienal;benzene-1,2,4-triol;4-Hydroxy-2H-pyran-3-carboxaldehyde;5-Methylfuran-2-carboxylic acid;5-Hydroxymethyl-2-furancarboxaldehyde HMDB0030776;HMDB0013674;HMDB0013675;HMDB0029750;HMDB0032651;HMDB0124831;HMDB0031256;HMDB0059735;HMDB0034355
Myristic acid;12-Methyltridecanoic acid;Ethyl dodecanoate;10-Methyltridecanoic acid;Nonyl isovalerate;3-Methylbutyl nonanoate;Hexyl octanoate;Heptyl heptanoate;Decyl butanoate;Dodecyl acetate;Isobutyl decanoate;Undecanal propyleneglycol acetal;2,6,10-Trimethylundecanoic acid;Hexanal octane-1,3-diol acetal HMDB0000806;HMDB0031072;HMDB0033788;HMDB0061781;HMDB0038034;HMDB0037495;HMDB0036216;HMDB0034461;HMDB0037312;HMDB0038969;HMDB0059865;HMDB0032548;HMDB0002221;HMDB0032318
Sorbitol;Mannitol;Galactitol;L-Iditol HMDB0000247;HMDB0000765;HMDB0000107;HMDB0011632
2-Furanylmethyl butanoate;Ethyl 2-furanpropionate;1,3,5-Trimethoxybenzene;(4-Hydroxy-3-methoxyphenyl)ethanol;Epoxyoxophorone;4-ethyl-6-methoxybenzene-1,3-diol;5-methoxy-2,4-dimethylbenzene-1,3-diol;1-Ipomeanol;2,6-Dimethoxy-4-methylphenol;5-ethyl-3-methoxybenzene-1,2-diol;3,5-dimethoxy-2-methylphenol;4-Ipomeanol;4-ethyl-2-methoxybenzene-1,3-diol HMDB0037729;HMDB0032921;HMDB0059963;HMDB0038925;HMDB0032252;HMDB0125521;HMDB0126600;HMDB0030473;HMDB0029680;HMDB0125531;HMDB0131223;HMDB0030472;HMDB0125541
Phenylpropanolamine;N-Methyltyramine;2-(1-Pyrrolidinyl)-2-cyclopenten-1-one;2-(5-Methyl-2-furanyl)pyrrolidine;2-(2-Furanyl)piperidine;2,3,4,5,6,7-Hexahydrocyclopent[b]azepin-8(1H)-one;2-Acetyl-3-ethylidene-3,4,5,6-tetrahydropyridine;1-Furfurylpyrrolidine;1,2,3,4,5,6-Hexahydro-5-methyl-7H-cyclopenta[b]pyridin-7-one;1,2,3,4,5,6-Hexahydro-6-methyl-7H-cyclopenta[b]pyridin-7-one;N-Methylphenylethanolamine;N-methylphenylethanolaminium;4-Hydroxyamphetamine HMDB0001942;HMDB0003633;HMDB0039674;HMDB0040044;HMDB0039835;HMDB0039663;HMDB0040039;HMDB0040037;HMDB0039658;HMDB0039659;HMDB0001387;HMDB0062808;HMDB0060765
N-lactoyl-Methionine HMDB0062182
Glutaric acid;Methylsuccinic acid;Ethylmalonic acid;(S)-Methylbutanethioic acid;Dimethylmalonic acid;2-Hydroxy-4-oxopentanoic acid;Monoethyl malonic acid;2-Deoxy-L-ribono-1,4-lactone;2-C-Methyl-1,4-erythrono-D-lactone;(S)-2-Acetolactate;2-Acetolactate HMDB0000661;HMDB0001844;HMDB0000622;HMDB0061879;HMDB0002001;HMDB0040531;HMDB0000576;HMDB0033958;HMDB0029884;HMDB0006855;HMDB0006833
Glycogen;Maltotetraose;Stachyose;Mannan;Sesamose;3-beta-Glucosylcellotriose;Nystose;Bifurcose;Fagopyritol A3;Fagopyritol B3;Neobifurcose;3-beta-Cellobiosylcellobiose HMDB0000757;HMDB0001296;HMDB0003553;HMDB0029931;HMDB0038871;HMDB0039173;HMDB0039176;HMDB0038490;HMDB0040182;HMDB0035323;HMDB0038870;HMDB0039174
Tetrahydrofurfuryl butyrate;9-Oxo-nonanoic acid;Butyl levulinate;5-Pentyl-1,4-dioxan-2-one;2-Methylpropyl 3-hydroxy-2-methylidenebutanoate;6-Pentyl-1,4-dioxan-2-one;4-Hydroperoxy-2-nonenal;Butyl 3-hydroxy-2-methylidenebutanoate;cis-3-Hexenyl lactate;3-Methylbutyl 3-oxobutanoate HMDB0036188;HMDB0094711;HMDB0040165;HMDB0059936;HMDB0040203;HMDB0059937;HMDB0060287;HMDB0040202;HMDB0036213;HMDB0036396
Demeclocycline;(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid HMDB0014756;HMDB0144089
Pipecolic acid;D-Pipecolic acid;N-Methyl proline;Vigabatrin;L-trans-4-Methyl-2-pyrrolidinecarboxylic acid;2-Pyrrolidineacetic acid;N4-Acetylaminobutanal;D-pipecolate;(2E)-Decenoyl-ACP;1-Piperidine carboxylic acid;3-Acetamidobutanal HMDB0000070;HMDB0005960;HMDB0094696;HMDB0015212;HMDB0029435;HMDB0029444;HMDB0004226;HMDB0062767;HMDB0062225;HMDB0094697;HMDB0059649
Histidinyl-Asparagine;Asparaginyl-Histidine HMDB0028880;HMDB0028733
1-Methylhistamine;3-Methylhistamine;N(tele)-methylhistaminium;N-Methylhistamine HMDB0000898;HMDB0001861;HMDB0062574;HMDB0061685
N-(1-Deoxy-1-fructosyl)valine HMDB0037844
5-Hexyltetrahydro-2-oxo-3-furancarboxylic acid;alpha-Carboxy-delta-decalactone;2-Carboxy-5,7-dimethyl-4-octanolide HMDB0030984;HMDB0030985;HMDB0030986
Lysyl-Valine;Valyl-Lysine HMDB0028964;HMDB0029132
3-Sulfinato-L-alaninate;3-Sulfinoalanine HMDB0060179;HMDB0000996
Hexylamine;Triethylamine HMDB0032323;HMDB0032539
LysoPC(20:4(5Z,8Z,11Z,14Z));LysoPC(20:4(8Z,11Z,14Z,17Z));2-Arachidonoylglycerophosphocholine HMDB0010395;HMDB0010396;HMDB0061699
Homovanillic acid;Hydroxyphenyllactic acid;3,4-Dihydroxyhydrocinnamic acid;3-(3-Hydroxyphenyl)-3-hydroxypropanoic acid;Isohomovanillic acid;Meta-hydroxyphenylhydracrylic Acid;2,6-Dimethoxybenzoic acid;5-ethenyl-3-methoxybenzene-1,2,4-triol;3,4-Dimethoxybenzoic acid;Methyl vanillate;3-Methoxy-4-hydroxyphenylglycolaldehyde;2-(2,4-dihydroxyphenyl)propanoic acid;2',6'-Dihydroxy-4'-methoxyacetophenone;3-(2,4-dihydroxyphenyl)propanoic acid;2-hydroxy-2-(4-methoxyphenyl)acetic acid;Maltol propionate;2-(3,4-dihydroxyphenyl)propanoic acid;2-(3-hydroxy-5-methoxyphenyl)acetic acid;2',4'-Dihydroxy-6'-methoxyacetophenone;3-(2,5-dihydroxyphenyl)propanoic acid;(±)-2-Hydroxy-3-(2-hydroxyphenyl)propanoic acid;3-(2,3-dihydroxyphenyl)propanoic acid;2-hydroxy-2-(3-methoxyphenyl)acetic acid;3,5-dimethoxybenzoic acid;2-hydroxy-3-(3-hydroxyphenyl)propanoic acid;4-ethenyl-6-methoxybenzene-1,2,3-triol;3-(3,5-dihydroxyphenyl)propanoic acid;3-hydroxy-3-(4-hydroxyphenyl)propanoic acid;3-Hydroxyphenyllactate HMDB0000118;HMDB0000755;HMDB0000423;HMDB0002643;HMDB0000333;HMDB0062595;HMDB0029273;HMDB0125595;HMDB0059763;HMDB0240266;HMDB0004061;HMDB0133788;HMDB0029646;HMDB0126386;HMDB0140294;HMDB0037274;HMDB0129348;HMDB0131428;HMDB0041270;HMDB0134043;HMDB0033624;HMDB0134042;HMDB0133494;HMDB0127495;HMDB0140892;HMDB0125591;HMDB0125533;HMDB0124923;HMDB0029232
(1alpha,2alpha,4betaH,6alpha,8R)-p-Menthane-2,6,8,9-tetrol;(1S,2S,4R,8R)-p-Menthane-1,2,8,9-tetrol;(2xi,3xi,6E)-3,7-Dimethyl-6-octene-1,2,3,8-tetrol;3,7-Dimethyl-3-octene-1,2,6,7-tetrol;(2xi,6xi)-7-Methyl-3-methylene-1,2,6,7-octanetetrol HMDB0039053;HMDB0039974;HMDB0033642;HMDB0035133;HMDB0033217
(S)-N-Methylsalsolinol;(R)-N-Methylsalsolinol;Ethyl N-ethylanthranilate;2-Isopropylphenyl methylcarbamate;2-Methylpropyl 2-aminobenzoate;Butyl 2-aminobenzoate;(-)-Salsoline;(R)-1,2-dimethyl-5,6-dihydroxy-tetrahydroisoquinoline HMDB0003892;HMDB0003626;HMDB0037698;HMDB0031797;HMDB0035072;HMDB0036906;HMDB0012469;HMDB0012484
Methyl 1-(1-propenylthio)propyl disulfide;(-)-1-(Methylthio)propyl 1-propenyl disulfide HMDB0033043;HMDB0034440
Caproic acid;Ethyl butyrate;Isocaproic acid;Methyl pentanoate;Propyl propionate;Methyl (S)-2-Methylbutanoate;Caproate (6:0);(±)-2-Methylpentanoic acid;3-Methylpentanoic acid;n-Butyl acetate;Methyl 3-methylbutanoate;Ethyl 2-methylpropanoate;3-Methylbutyl formate;2-Ethylbutanoic acid;Isopropyl propionate;2,4,5-Trimethyl-1,3-dioxolane;Pentyl formate;2-Methylpropyl acetate;Diacetone alcohol;2,2,4-Trimethyl-1,3-dioxolane HMDB0000535;HMDB0033889;HMDB0000689;HMDB0031207;HMDB0030059;HMDB0029762;HMDB0061883;HMDB0031580;HMDB0033774;HMDB0031325;HMDB0030027;HMDB0031248;HMDB0034163;HMDB0031221;HMDB0030056;HMDB0040279;HMDB0040327;HMDB0031246;HMDB0031511;HMDB0037266
4-Hydroxynonenal;Ethyl cyclohexanecarboxylate;2-Nonenoic acid;Methyl 4Z-octenoate;Isobutyl angelate;cis-Ethyl 4-heptenoate;Methyl 2-octenoate;Methyl (E)-2-octenoate;2-Propenyl 2-ethylbutanoate;2-Propenyl hexanoate;Methyl 3-Octenoate;(E)-2-Ethyl heptenoate;Dihydro-5-pentyl-2(3H)-furanone;2,4-Nonanedione;Quercuslactone a;6-Butyltetrahydro-2H-pyran-2-one;2-Hydroxy-2,6,6-trimethylcyclohexanone;(E)-3-Heptenyl acetate;6-Hydroxy-4,6-dimethyl-3-hepten-2-one;Hept-trans-2-en-1-yl acetate;4-Oxononanal;Cyclohexyl propionate;3,4-Epoxynonanal;trans-2-Hexenyl propanoate;Prenyl isobutyrate;cis-3-Hexenyl propanoate;(Z)-Oak lactone;(E)-Oak lactone HMDB0004362;HMDB0033167;HMDB0031271;HMDB0039794;HMDB0037629;HMDB0032265;HMDB0032413;HMDB0037496;HMDB0036208;HMDB0040210;HMDB0059728;HMDB0059840;HMDB0031531;HMDB0031263;HMDB0035307;HMDB0031514;HMDB0037023;HMDB0037618;HMDB0039736;HMDB0032307;HMDB0034716;HMDB0036222;HMDB0060286;HMDB0038272;HMDB0032491;HMDB0038275;HMDB0059817;HMDB0059894
1,5-Anhydrosorbitol;L-Fucose;Rhamnose;L-Fuculose;3-Deoxyfructose;2-Deoxyglucose;D-Fucose;2-Deoxygalactopyranose;L-Rhamnulose;Alpha-L-fucose;Beta-D-Fucose;6-methyloxane-2,3,4,5-tetrol;2-O-Methyl-D-xylose;L-Fucose-1P;beta-L-fucose HMDB0002712;HMDB0000174;HMDB0000849;HMDB0060267;HMDB0005876;HMDB0062477;HMDB0029196;HMDB0012327;HMDB0010207;HMDB0059624;HMDB0003081;HMDB0124735;HMDB0033821;HMDB0062489;HMDB0059625
2,4-Dodecadienoic acid pyrrolidide HMDB0038841
Dihydrothymine;Squamolone;L-Cyclo(alanylglycyl);Pyroglutamine HMDB0000079;HMDB0029874;HMDB0031547;HMDB0062558
Methoxamine;Orciprenaline;Isoproterenol HMDB0014861;HMDB0014954;HMDB0015197
Homoarecoline HMDB0038321
D-Glutamic acid;N-Acetylserine;N-Methyl-D-aspartic acid;O-Acetylserine;DL-Glutamate;3-(Carboxymethylamino)propanoic acid;N-lactoyl-Glycine;L-4-Hydroxyglutamate semialdehyde HMDB0003339;HMDB0002931;HMDB0002393;HMDB0003011;HMDB0060475;HMDB0033550;HMDB0062183;HMDB0006556
Tyramine;2-Hydroxyphenethylamine;m-Tyramine;1,2,3,4,5,6-Hexahydro-7H-cyclopenta[b]pyridin-7-one;2-Acetyl-1-ethylpyrrole;(±)-2-(2-Furanyl)pyrrolidine;4-Hydroxy-2,6-dimethylaniline;Dimethylaniline-N-oxide;Phenylethanolaminium;Tyraminium HMDB0000306;HMDB0001065;HMDB0004989;HMDB0039657;HMDB0029759;HMDB0040059;HMDB0060681;HMDB0001466;HMDB0062626;HMDB0062629
2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethoxy-3,4-dihydro-2H-1-benzopyran-4-one HMDB0138522
(2R)-1-O-beta-D-Galactopyranosylglycerol;Dyphylline;Galactosylglycerol HMDB0038664;HMDB0014789;HMDB0006790
3-[3-(sulfooxy)phenyl]prop-2-enoic acid;3-[4-(sulfooxy)phenyl]prop-2-enoic acid;[2-hydroxy-3-(3-oxoprop-1-en-1-yl)phenyl]oxidanesulfonic acid;(2E)-3-[4-(sulfooxy)phenyl]prop-2-enoic acid;(2E)-3-[3-(sulfooxy)phenyl]prop-2-enoic acid HMDB0127985;HMDB0128093;HMDB0134054;HMDB0125166;HMDB0124975
9,10,13-TriHOME;(9S,10E,12S,13S)-9,12,13-Trihydroxy-10-octadecenoic acid;5,8,12-Trihydroxy-9-octadecenoic acid;9,12,13-TriHOME HMDB0004710;HMDB0038555;HMDB0030936;HMDB0004708
Glycyl-glycine;Ureidopropionic acid;N-Carbamoylsarcosine;D-Asparagine;N-carbamoyl-beta-alaninate HMDB0011733;HMDB0000026;HMDB0012265;HMDB0033780;HMDB0062812
trans-Aconitic acid;Dehydroascorbic acid;2,5-Dimethyl-3-(methyldithio)furan;Dehydroascorbide(1-) HMDB0000958;HMDB0001264;HMDB0040200;HMDB0062706
Suberic acid;2,4-Dimethyladipic acid;Dimethyl adipate;3-Methylpimelic acid;Diethyl succinate;2-Propylglutaric acid;Ethyladipic acid HMDB0000893;HMDB0059727;HMDB0041606;HMDB0059757;HMDB0033838;HMDB0060684;HMDB0002023
N-Butyrylglycine;Isobutyrylglycine;N-Propionylalanine;Allysine;Methyl aminolevulinate;L-trans-5-Hydroxy-2-piperidinecarboxylic acid;L-cis-4-(Hydroxymethyl)-2-pyrrolidinecarboxylic acid;N-(2-Carboxymethyl)-morpholine;2-Keto-6-aminocaproate;(S)-5-Amino-3-oxohexanoate;(S)-2-amino-6-oxohexanoate HMDB0000808;HMDB0000730;HMDB0094698;HMDB0001263;HMDB0015127;HMDB0029426;HMDB0029425;HMDB0061156;HMDB0012151;HMDB0012131;HMDB0059595
6-Epi-7-isocucurbic acid glucoside HMDB0029782
Goshuyic acid;Linalyl butyrate;2-Propenyl cyclohexanepentanoate;Linalyl isobutyrate;alpha-Terpineol butanoate;Geranyl 2-methylpropanoate;Isobornyl isobutyrate;Bornyl butyrate;Ethyl (2E,6Z)-dodecadienoate;Allyl undecylenate;Neryl butyrate;Terpinyl isobutyrate HMDB0000560;HMDB0030427;HMDB0037814;HMDB0030426;HMDB0032053;HMDB0038260;HMDB0032342;HMDB0038246;HMDB0031015;HMDB0036424;HMDB0038259;HMDB0032524
Succinylacetone;Isopropylmaleate;xi-2,3-Dihydro-3,5-dihydroxy-6-methyl-4H-pyran-4-one;Ethyl 5-oxotetrahydro-2-furancarboxylate HMDB0000635;HMDB0012241;HMDB0036380;HMDB0059815
2-Acetyl-3,5-dimethylpyrazine;6-Methylnicotinamide;2-Acetyl-3-ethylpyrazine;7,8-Dihydro-3-methylpyrrolo[1,2-a]pyrimidin-2(6H)-one;2-Acetyl-3,6-dimethylpyrazine HMDB0039999;HMDB0013704;HMDB0029410;HMDB0038513;HMDB0039998
Tetradecanedioic acid;Diisobutyl adipate;Diethyl decanedioate;1-Hydroxypropan-2-yl 2-isopropyl-5-methylcyclohexyl carbonate;2-Hydroxypropyl 2-isopropyl-5-methylcyclohexyl carbonate HMDB0000872;HMDB0041618;HMDB0040429;HMDB0059947;HMDB0059946
Myristoleic acid;5Z-Tetradecenoic acid;5-Tetradecenoic acid;Heptyl cyclohexane carboxylic acid;Rhodinyl butyrate;1,1-Diethoxy-3,7-dimethyl-2,6-octadiene;Citronellyl isobutyrate;Citronellyl butyrate;Houttuynin;2-Hexenyl octanoate;Rhodinyl isobutyrate;Ethyl (E)-2-dodecenoate;Butyl 2-decenoate;9E-tetradecenoic acid;7Z-tetradecenoic acid;trans-Tetra-dec-2-enoic acid;Tsuzuic acid;Acetaldehyde di-cis-3-hexenyl acetal;delta-Tetradecalactone;xi-Tetrahydro-3-nonyl-2H-pyran-2-one;(R)-14-Methyloxacyclotetradecan-2-one;12-Methyl-13-tridecanolide HMDB0002000;HMDB0000521;HMDB0000499;HMDB0094671;HMDB0037188;HMDB0040228;HMDB0037228;HMDB0037227;HMDB0034561;HMDB0032321;HMDB0037189;HMDB0031029;HMDB0037369;HMDB0062248;HMDB0062243;HMDB0010732;HMDB0005051;HMDB0032152;HMDB0038056;HMDB0037633;HMDB0030921;HMDB0031073
1,11-Undecanedicarboxylic acid;(±)-1,4-Nonanediol diacetate;Menthyl ethylene glycol carbonate HMDB0002327;HMDB0037184;HMDB0036141
D-4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid HMDB0060466;HMDB0002070
Saccharopine;L-saccharopinate(1-) HMDB0000279;HMDB0062698
3,4-Methylenesebacic acid;Allixin HMDB0059729;HMDB0040705
{[(2E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-yl]oxy}sulfonic acid HMDB0135631
N,N'-Diacetylhydrazine;N-Nitroso-3-hydroxypyrrolidine HMDB0060496;HMDB0061163
Diisopentyl thiomalate HMDB0032223
7-Epi-12-hydroxyjasmonic acid glucoside;beta-D-Glucopyranosyl-11-hydroxyjasmonic acid;2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1-xyloside HMDB0040706;HMDB0039964;HMDB0041552
Urate radical HMDB0060260
N(6)-Methyllysine;Bethanechol;Putreanine;Isoputreanine HMDB0002038;HMDB0015154;HMDB0006078;HMDB0006009
Heptanoic acid;Propyl butyrate;Ethyl isovalerate;Ethyl pentanoate;Methyl hexanoate;Propyl 2-methylpropanoate;Butyl propionate;Pentyl acetate;Isopentyl acetate;Ethyl 2-methylbutyrate;Isopropyl butyrate;2-Methylpropyl propanoate;2-Methylhexanoic acid;5-Methylhexanoic acid;Methyl (±)-2-methylpentanoate;Methyl 4-methylpentanoate;cis- and trans-2-Isopropyl-4-methyl-1,3-dioxolane;2-Methylbutyl acetate;(±)-2-Pentanol acetate;Hexyl formate;Isopropyl 2-methylpropanoate HMDB0000666;HMDB0039618;HMDB0030028;HMDB0040297;HMDB0035238;HMDB0036209;HMDB0030052;HMDB0039095;HMDB0031528;HMDB0033745;HMDB0039619;HMDB0034239;HMDB0031594;HMDB0031595;HMDB0036237;HMDB0036238;HMDB0032204;HMDB0034166;HMDB0031600;HMDB0032874;HMDB0038227
Chenodeoxycholic acid;Deoxycholic acid;Ursodeoxycholic acid;Hyodeoxycholic acid;Isoursodeoxycholic acid;Allochenodeoxycholic acid;Isodeoxycholic acid;3b,12b-Dihydroxy-5b-cholanoic acid;Murocholic acid;3b,12a-Dihydroxy-5b-cholanoic acid;3a,12b-Dihydroxy-5b-cholanoic acid;7a,12b-dihydroxy-5b-Cholan-24-oic acid;Allodeoxycholic acid;Isohyodeoxycholic acid;7b,12a-Dihydroxycholanoic acid;3b,7a-Dihydroxy-5b-cholanoic acid;3a,7a-Dihydroxycholanoic acid;3b,12a-Dihydroxy-5a-cholanoic acid HMDB0000518;HMDB0000626;HMDB0000946;HMDB0000733;HMDB0000686;HMDB0000514;HMDB0002536;HMDB0002585;HMDB0000811;HMDB0000438;HMDB0000411;HMDB0002488;HMDB0000478;HMDB0000664;HMDB0002451;HMDB0000361;HMDB0000384;HMDB0000348
5-Hydroxyflavone;5-hydroxy-7-methoxy-2-phenyl-8-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-4-one;3,4,5-trihydroxy-6-{4-[(2E)-3-phenylprop-2-enoyl]phenoxy}oxane-2-carboxylic acid;3,4,5-trihydroxy-6-{3-[(2E)-3-phenylprop-2-enoyl]phenoxy}oxane-2-carboxylic acid HMDB0040556;HMDB0127226;HMDB0135621;HMDB0135447
2-(hydroxymethyl)-6-(2,4,6-trihydroxyphenyl)oxane-3,4,5-triol;Phlorin;Glucosylisomaltol HMDB0132663;HMDB0035589;HMDB0038341
2-(3,4-Dihydroxybenzoyloxy)-4,6-dihydroxybenzoate HMDB0059651
5S,6S-epoxy-15R-hydroxy-ETE HMDB0062236
N2,N2-Dimethylguanosine;1,7-Dimethylguanosine HMDB0004824;HMDB0001961
Cysteine-S-sulfate HMDB0000731
Hydrocinnamic acid;4-Ethylbenzoic acid;2-Methoxy-4-vinylphenol;2-Phenylpropionate;4-Coumaryl alcohol;Benzyl acetate;3,4-Dimethylbenzoic acid;3-Methylphenylacetic acid;2-(3-hydroxyprop-1-en-1-yl)phenol;3-(3-hydroxyphenyl)propanal;3-(4-hydroxyphenyl)propanal;o-Tolyl acetate;Ethyl benzoate;2-Ethyl-4-(2-furanyl)-2-propenal;3-ethenyl-5-methoxyphenol;2-hydroxy-3-phenylpropanal;2-(2-Furanyl)-3-methyl-2-butenal;1-Phenylethyl formate;3-(2-hydroxyphenyl)propanal;p-Tolyl acetate;2'-Hydroxy-5'-methylacetophenone;4-Ethoxybenzaldehyde;4-(3-hydroxyprop-1-en-1-yl)phenol;Methyl phenylacetate;2'-Methoxyacetophenone;3-hydroxy-3-phenylpropanal;(3-phenyloxiran-2-yl)methanol;2-Phenylethyl formate;4-(prop-2-en-1-yl)benzene-1,2-diol;4'-Methoxyacetophenone;3-[(1E)-3-hydroxyprop-1-en-1-yl]phenol;3'-carboxy-alpha-chromanol;4-Hydroxy-3-methylacetophenone HMDB0000764;HMDB0002097;HMDB0013744;HMDB0011743;HMDB0003654;HMDB0031310;HMDB0002237;HMDB0002222;HMDB0134027;HMDB0135278;HMDB0135279;HMDB0032073;HMDB0033967;HMDB0038355;HMDB0125532;HMDB0135276;HMDB0040925;HMDB0037715;HMDB0134026;HMDB0032075;HMDB0032592;HMDB0033970;HMDB0135644;HMDB0032617;HMDB0032569;HMDB0135277;HMDB0135281;HMDB0040428;HMDB0135239;HMDB0032570;HMDB0135280;HMDB0062349;HMDB0059824
Methylphosphate HMDB0061711
Acetyl citrate HMDB0059808
Neuraminic acid;N-(1-Deoxy-1-fructosyl)serine HMDB0000830;HMDB0037842
Succinylcarnitine;Methylmalonylcarnitine;O-methylmalonyl-L-carnitine;Epidermin;Camelinin;Lotaustralin HMDB0061717;HMDB0013133;HMDB0062785;HMDB0034777;HMDB0039082;HMDB0033865
1H-Indole-3-carboxaldehyde HMDB0029737
Aspartyl-Histidine;Histidinyl-Aspartate;D-erythro-L-galacto-Nonulose HMDB0028755;HMDB0028881;HMDB0029955
L-3-Aminodihydro-2(3H)-furanone;(S)-2-Azetidinecarboxylic acid;1-Aminocyclopropanecarboxylic acid HMDB0029387;HMDB0029615;HMDB0036458
6-Hydroxypentadecanedioic acid HMDB0031885
(2-oxoethoxy)sulfonic acid HMDB0142001
5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylate HMDB0059663
R-Propyl 1-propenesulfinothioate;R-1-Propenyl 1-propanesulfinothioate;S-2-Propenyl 1-propanesulfinothioate;S-Propyl 2-propene-1-sulfinothioate HMDB0032749;HMDB0032748;HMDB0032741;HMDB0039965
Alpha-Linolenic acid;Gamma-Linolenic acid;Calendic acid;Linolenelaidic acid;Punicic acid HMDB0001388;HMDB0003073;HMDB0030962;HMDB0030964;HMDB0030963
4-Acetoxy-2-hexyltetrahydrofuran;3-Oxododecanoic acid HMDB0037398;HMDB0010727
Isocitric acid;Diketogulonic acid;(1R,2R)-Isocitric acid;2,3-diketogulonate;D-threo-Isocitric acid;D-Glucaro-1,4-lactone;2,3-Diketo-L-gulonate HMDB0000193;HMDB0005971;HMDB0033717;HMDB0062803;HMDB0001874;HMDB0041862;HMDB0006511
Prolylhydroxyproline;Pyroglutamylvaline;Prolyl-Hydroxyproline;Tetraacetylethylenediamine;Hydroxyprolyl-Proline HMDB0006695;HMDB0094651;HMDB0029018;HMDB0040573;HMDB0028871
Ribothymidine;3-Methyluridine;Imidazoleacetic acid riboside HMDB0000884;HMDB0004813;HMDB0002331
L-Allothreonine;4-Amino-3-hydroxybutyrate;Aminoethoxyacetic acid;Hydroxyethyl glycine HMDB0004041;HMDB0061877;HMDB0060587;HMDB0061148
Ethyl glucuronide;6-ethoxy-3,4,5-trihydroxyoxane-2-carboxylic acid;(3,4,5,6-tetrahydroxyoxan-2-yl)methyl acetate HMDB0010325;HMDB0131286;HMDB0125202
1-Isothiocyanato-7-(methylthio)heptane;N-acetyl-L-2-aminoadipate(2-) HMDB0038440;HMDB0062715
Ne,Ne dimethyllysine HMDB0013287
Valdecoxib HMDB0005033
Hydroxylated lecithin HMDB0032332
5Z-Dodecenoic acid;1,1-Dimethoxy-3,7-dimethyl-2,6-octadiene;Ethyl 2-decenoate;Citronellyl acetate;Hexyl 2E-hexenoate;cis-4-Decenyl acetate;(±)-Menthyl acetate;[(3,7-Dimethyl-6-octenyl)oxy]acetaldehyde;Allyl nonanoate;1-Ethenylhexyl butanoate;Methyl 9-undecenoate;2-Octenyl butyrate;Ethyl 4-decenoate;Hexyl 2-methyl-3-pentenoate;Rhodinyl acetate;(±)-Citronellyl acetate;2-Hexenyl hexanoate;Hexyl 2-methyl-4-pentenoate;Methyl 10-undecenoate;11-Dodecenoic acid;cis-3-Hexenyl hexanoate;trans-Dodec-2-enoic acid;3-Heptyldihydro-5-methyl-2(3H)-furanone;7-Hexyl-2-oxepanone;5,5-Dibutyl-4,5-dihydro-2(3H)furanone;2,6-Dimethyl-5-heptenal propyleneglycol acetal;xi-5-Dodecanolide;xi-Dihydro-5-octyl-2(3H)-furanone HMDB0000529;HMDB0040361;HMDB0037329;HMDB0034844;HMDB0038269;HMDB0032214;HMDB0041264;HMDB0041449;HMDB0029763;HMDB0037498;HMDB0037305;HMDB0038081;HMDB0039220;HMDB0040158;HMDB0037186;HMDB0034160;HMDB0038924;HMDB0040163;HMDB0029585;HMDB0032248;HMDB0033378;HMDB0010729;HMDB0037813;HMDB0038895;HMDB0036182;HMDB0032235;HMDB0037742;HMDB0031683
Diethylcarbamazine N-oxide HMDB0060817
2-Phenylethanol;1-Phenylethanol;1-Methoxy-4-methylbenzene;4-Ethylphenol;2,5-Dimethylphenol;3,4-Dimethylphenol;2,6-Dimethylphenol;3-Ethylphenol;4-Methylbenzyl alcohol;2,3-Dimethylphenol;1-Methoxy-2-methylbenzene HMDB0033944;HMDB0032619;HMDB0032076;HMDB0029306;HMDB0030540;HMDB0032151;HMDB0032150;HMDB0059873;HMDB0041609;HMDB0032148;HMDB0032074
{2-hydroxy-5-[3-(4-methoxy-1-benzofuran-5-yl)-3-oxopropanoyl]phenyl}oxidanesulfonic acid HMDB0129391
1,3-Dihydro-(2H)-indol-2-one;5-Hydroxyindole;Indoxyl;(±)-2-Hydroxy-2-phenylacetonitrile;4-Hydroxybenzeneacetonitrile;2-Methyl-4,5-benzoxazole;Mandelonitrile HMDB0061918;HMDB0059805;HMDB0004094;HMDB0034666;HMDB0029757;HMDB0032390;HMDB0060486
N-Acetylhistidine HMDB0032055
N-Undecylbenzenesulfonic acid HMDB0032549
Glyceric acid;D-2,3-Dihydroxypropanoic acid HMDB0000139;HMDB0031818
1-Phosphatidyl-D-myo-inositol HMDB0006953
L-cis-3-Amino-2-pyrrolidinecarboxylic acid;D-1-Amino-2-pyrrolidinecarboxylic acid HMDB0029396;HMDB0030405
[1-(4-methoxyphenyl)-3-phenylpropoxy]sulfonic acid HMDB0135641
Isovalerylglycine;2-Methylbutyrylglycine;3-Dehydrocarnitine;N-Acetylvaline;Valerylglycine;Betonicine;5-Acetamidovalerate;Methyl 5-(hydroxymethyl)pyrrolidine-3-carboxylate;Calystegine A6;Turicine;Medicanine;Calystegin A3;Calystegine A7;4-Hydroxystachydrine HMDB0000678;HMDB0000339;HMDB0012154;HMDB0011757;HMDB0000927;HMDB0029412;HMDB0012175;HMDB0061678;HMDB0031345;HMDB0029409;HMDB0038625;HMDB0038593;HMDB0036384;HMDB0029230
L-Menthyl acetoacetate HMDB0032369
6-Hydroxy-1H-indole-3-acetamide HMDB0031173
Acetylglycine;L-Aspartate-semialdehyde;L-2-Amino-3-oxobutanoic acid HMDB0000532;HMDB0012249;HMDB0006454
Pyrophosphate HMDB0000250
{2-hydroxy-5-[(2E)-3-phenylprop-2-enoyl]phenyl}oxidanesulfonic acid HMDB0135412
2-O-Methylascorbic acid;5-(Methylthio)-2-[(methylthio)methyl]-2-pentenal;3-Dehydroquinate;2-Hydroxy-2-(2-oxopropyl)butanedioic acid HMDB0240294;HMDB0037815;HMDB0012710;HMDB0059927
Docosahexaenoic acid;Grifolin;Retinol acetate;Neogrifolin;(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate;(Z,Z)-2-Methyl-5-(8,11,14-pentadecatrienyl)-1,3-benzenediol HMDB0002183;HMDB0030446;HMDB0035185;HMDB0030053;HMDB0062579;HMDB0038908
Benzoic acid;4-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde;3-(2-Furanyl)-2-propenal HMDB0001870;HMDB0011718;HMDB0034170;HMDB0032918
Hexanoylglycine;N-Acetylleucine;N-Acetylisoleucine;Isovalerylsarcosine;Isovalerylalanine HMDB0000701;HMDB0011756;HMDB0061684;HMDB0002087;HMDB0000747
3-Hydroxycapric acid;2-Hydroxydecanoate;2-Hexyl-1,3-dioxolane-4-methanol;2,6-Dimethyl-7-octene-2,3,6-triol;Ethyl (±)-3-hydroxyoctanoate;cis-p-Menthane-1,7,8-triol;(1S,2S,4R,8R)-p-Menthane-1,2,9-triol;xi-5-Hydroxydecanoic acid;(1R,2R,4S)-p-Menthane-1,2,8-triol;7-Methyl-3-methylene-1,6,7-octanetriol;(1R,2R,4R,8R)-p-Menthane-2,8,9-triol;9-Hydroxydecanoic acid;2-Hexyl-1,3-dioxan-5-ol;(R)-3-Hydroxydecanoic acid HMDB0002203;HMDB0094656;HMDB0039669;HMDB0038186;HMDB0041600;HMDB0034783;HMDB0039470;HMDB0040329;HMDB0039893;HMDB0033640;HMDB0033574;HMDB0033201;HMDB0039668;HMDB0010725
Polyethylene, oxidized HMDB0032472
Pseudouridine HMDB0000767
N-Acetylarylamine;5-(2-Furanyl)-3,4-dihydro-2H-pyrrole;2-Acetyl-4-methylpyridine;4-Acetyl-2-methylpyridine;2-Acetyl-6-methylpyridine;2'-Aminoacetophenone;2-Aminoacetophenone;2,3-Dihydro-1H-pyrrolizine-5-carboxaldehyde;4-Acetyl-3-methylpyridine;2-Acetyl-5-methylpyridine;2-Phenylacetamide HMDB0001250;HMDB0040013;HMDB0037071;HMDB0040223;HMDB0037072;HMDB0032630;HMDB0032628;HMDB0040008;HMDB0040224;HMDB0040222;HMDB0010715
Diacetyl;Methyl acrylate;Gamma-Butyrolactone;Isocrotonic acid;But-2-enoic acid;Ethenyl acetate;Oxolan-3-one HMDB0003407;HMDB0033977;HMDB0000549;HMDB0034439;HMDB0010720;HMDB0031209;HMDB0002523
Diacetyl;Methyl acrylate;Gamma-Butyrolactone;Isocrotonic acid;But-2-enoic acid;Oxolan-3-one;Ethenyl acetate HMDB0003407;HMDB0033977;HMDB0000549;HMDB0034439;HMDB0010720;HMDB0002523;HMDB0031209
N-Glycolylneuraminic acid;NeuNGc HMDB0000833;HMDB0062502
N-(1-Deoxy-1-fructosyl)tyrosine HMDB0037845
Butyramide;4-Aminobutyraldehyde;Morpholine;N-Ethylacetamide;2-(dimethylamino)acetaldehyde HMDB0033870;HMDB0001080;HMDB0031581;HMDB0031215;HMDB0142479
Pyrrolidine HMDB0031641
Undecanoic acid;Hexyl valerate;1,1-Dimethylethyl heptanoic acid;xi-8-Methyldecanoic acid;Methyl decanoate;Butyl heptanoate;Nonyl acetate;Ethyl nonanoate;3-Methylbutyl hexanoate;Hexyl 2-methylbutanoate;Octyl propanoate;9-Methyldecanoic acid;Pentyl hexanoate;Isobutyl enanthate;Hexyl 3-methylbutanoate;Heptyl butanoate;2-Methylbutyl hexanoate;Propyl octanoate;Heptyl 2-methylpropanoate;2-Hexyl-4,5-dimethyl-1,3-dioxolane;Octanal propyleneglycol acetal;6,6-Dimethoxy-2,5,5-trimethyl-2-hexene;7,7-Diethoxy-3-heptene;4,6-Dimethylnonanoic acid HMDB0000947;HMDB0062119;HMDB0094659;HMDB0038237;HMDB0033848;HMDB0041559;HMDB0040266;HMDB0040193;HMDB0033618;HMDB0039215;HMDB0034134;HMDB0034456;HMDB0036229;HMDB0034458;HMDB0032044;HMDB0034460;HMDB0059860;HMDB0059831;HMDB0040171;HMDB0032325;HMDB0032448;HMDB0036034;HMDB0038267;HMDB0002373
Maltol;1,2,3-Trihydroxybenzene;1,3,5-Trihydroxybenzene;Methyl 2-furoate;4-Hydroxy-2H-pyran-3-carboxaldehyde;5-Methylfuran-2-carboxylic acid;5-Hydroxymethyl-2-furancarboxaldehyde;(Z)-Tamarindienal;benzene-1,2,4-triol HMDB0030776;HMDB0013674;HMDB0013675;HMDB0029750;HMDB0031256;HMDB0059735;HMDB0034355;HMDB0032651;HMDB0124831
N-(3-Methylbutyl)acetamide;N-(2-Methylpropyl)acetamide HMDB0031651;HMDB0034203
Lactosamine;6-(alpha-D-Glucosaminyl)-1D-myo-inositol HMDB0006591;HMDB0011668
Caffeic acid 3-sulfate;Caffeic acid 4-sulfate;3-[4-(sulfooxy)phenyl]oxirane-2-carboxylic acid;2-oxo-3-[4-(sulfooxy)phenyl]propanoic acid;3-[2-hydroxy-3-(sulfooxy)phenyl]prop-2-enoic acid;(2E)-3-[2-hydroxy-3-(sulfooxy)phenyl]prop-2-enoic acid;3-[4-hydroxy-3-(sulfooxy)phenyl]prop-2-enoic acid HMDB0041706;HMDB0041708;HMDB0125831;HMDB0125409;HMDB0134087;HMDB0135272;HMDB0127962
Dihydrouracil;N-Methylhydantoin;L-3-Cyanoalanine HMDB0000076;HMDB0003646;HMDB0060245
N6-Methyladenosine;2'-O-Methyladenosine;N-(1-Deoxy-1-fructosyl)threonine;3'-O-Methyladenosine HMDB0004044;HMDB0004326;HMDB0037843;HMDB0006023
2-Methylene-4-oxopentanedioic acid;benzene-1,2,3,4,5-pentol;Zymonic acid;2-Maleylacetate HMDB0037759;HMDB0137818;HMDB0031210;HMDB0060348
Phenmetrazine;(S)-Valerianine;1-(2,3-Dihydro-5-ethyl-1H-pyrrolizin-7-yl)ethanone;7-Ethyl-2,3,6,7-tetrahydrocyclopent[b]azepin-8(1H)-one;5-Acetyl-2,3-dihydro-6,7-dimethyl-1H-pyrrolizine;2,3-Dihydro-6-methyl-5-propanoyl-1H-pyrrolizine;1-(2,3-Dihydro-5,6-dimethyl-1H-pyrrolizin-7-yl)ethanone;1-(2,3-Dihydro-1H-pyrrolizin-5-yl)-1-butanone;2,3-Dihydro-7-methyl-5-propanoyl-1H-pyrrolizine;2,3,6,7-Tetrahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one;Mephedrone HMDB0014968;HMDB0033484;HMDB0040019;HMDB0039664;HMDB0040020;HMDB0040018;HMDB0040027;HMDB0040014;HMDB0040017;HMDB0039667;HMDB0041923
3-[(3-Methylbutyl)nitrosoamino]-2-butanone HMDB0033553
N-Methyl-1-deoxynojirimycin HMDB0035360
Tenofovir HMDB0014445
Indolepyruvate HMDB0060484
Delta-Hexanolactone;2,3-Hexanedione;2-Methyl-4-pentenoic acid;Methyl 4-pentenoate;4-Methyl-2-pentenoic acid;Ethyl crotonate;trans-Hex-2-enoic acid;2-Methyl-2-pentenoic acid;3-Hexenoic acid;2-Methyl-3-pentenoic acid;Gamma-Caprolactone;3,4-Hexanedione;Dihydro-4,4-dimethyl-2(3H)-furanone;5-Oxohexanal;4-Methyl-2,3-pentanedione;Prenyl formate;Allyl propionate;epsilon-Caprolactone HMDB0000453;HMDB0031491;HMDB0031158;HMDB0040328;HMDB0031561;HMDB0039581;HMDB0010719;HMDB0031560;HMDB0031501;HMDB0031562;HMDB0003843;HMDB0031492;HMDB0061929;HMDB0033568;HMDB0031559;HMDB0032490;HMDB0029487;HMDB0060476
Pectic acid;Galacturonic acid;5-Keto-D-gluconate;Pectin;Iduronic acid;L-Altruronic acid;3,4,5,6-tetrahydroxyoxane-2-carboxylic acid;2-Keto-L-gluconate;3-Dehydro-L-gulonate;Aldehydo-L-iduronate HMDB0003363;HMDB0002545;HMDB0011731;HMDB0003402;HMDB0002704;HMDB0038491;HMDB0127846;HMDB0011732;HMDB0006334;HMDB0062783
Imidazolelactic acid;4-Imidazolone-5-propionic acid;5-(2-carboxylatoethyl)-4-oxo-4,5-dihydro-1H-imidazol-5-ide;5-Hydroxymethyl-4-methyluracil HMDB0002320;HMDB0001014;HMDB0062719;HMDB0000544
{4-[(6-hydroxy-3-oxo-2,3-dihydro-1-benzofuran-2-ylidene)methyl]phenyl}oxidanesulfonic acid;[3-(3-hydroxy-4-oxo-4H-chromen-2-yl)phenyl]oxidanesulfonic acid;[3-(7-hydroxy-4-oxo-4H-chromen-2-yl)phenyl]oxidanesulfonic acid HMDB0137537;HMDB0134560;HMDB0133344
Perillic acid;Pentyl 2-furyl ketone;2-Hydroxy-p-mentha-1,8-dien-6-one;2-tert-Butyl-1,4-benzenediol;3-Hydroxy-p-mentha-1,8-dien-7-al;alpha-Teresantalic acid;2,4,7-Decatrienoic acid;5-Hydroxy-p-mentha-6,8-dien-2-one;Epinepetalactone;Marmelolactone A;Isomintlactone;4-Ethyl-1,2-dimethoxybenzene;Karahana lactone;2-Methoxy-4-propylphenol;Perilla ketone;1,4-Epidioxy-p-mentha-2,8-diene;(1xi,4xi,6xi)-Carvone oxide;Rotundifolone;1,1-Dimethoxy-2-phenylethane;6-Pentyl-2H-pyran-2-one;1,2:3,4-Diepoxy-p-menth-8-ene;3-(4-methoxyphenyl)propan-1-ol;1-ethyl-3,5-dimethoxybenzene;Wine lactone;2-(4-methoxyphenyl)propan-2-ol HMDB0004586;HMDB0032462;HMDB0037012;HMDB0032062;HMDB0041584;HMDB0034922;HMDB0035235;HMDB0037011;HMDB0035063;HMDB0036042;HMDB0036084;HMDB0040176;HMDB0041000;HMDB0032135;HMDB0035328;HMDB0036878;HMDB0039382;HMDB0037044;HMDB0032615;HMDB0031085;HMDB0036879;HMDB0135742;HMDB0127496;HMDB0029691;HMDB0062603
Dihydrothymine;Pyroglutamine;Squamolone;L-Cyclo(alanylglycyl) HMDB0000079;HMDB0062558;HMDB0029874;HMDB0031547
Cyclohexanecarboxylic acid;1,3-Diacetylpropane;Methyl (Z)-3-hexenoate;Ethyl 4-pentenoate;Ethyl tiglate;4-Heptenoic acid;2,3-Heptanedione;2,4-Dimethyl-2-pentenoic acid;Methyl 2E-hexenoate;Allyl butyrate;2-Heptenoic acid;Dihydro-5-propyl-2(3H)-furanone;4-Pentenyl acetate;Isopentenyl acetate;2-Hexenyl formate;1-Methoxy-3-methylene-2-pentanone;5-Methyl-2,3-hexanedione;3,4-Heptanedione;4-Methyl-5-hexanolide;cis-3-Hexenyl formate;Cyclohexyl formate;3-Methyl-3-butenyl acetate;Pantolactone HMDB0031342;HMDB0029165;HMDB0031504;HMDB0031603;HMDB0038962;HMDB0033793;HMDB0031476;HMDB0039819;HMDB0031500;HMDB0040591;HMDB0031484;HMDB0031681;HMDB0032460;HMDB0029314;HMDB0038271;HMDB0030330;HMDB0031593;HMDB0031477;HMDB0031174;HMDB0040214;HMDB0031351;HMDB0032391;HMDB0059876
Fagomine;2-amino-6-hydroxyhexanoic acid;(2R,3R,4R)-2-Amino-4-hydroxy-3-methylpentanoic acid;N-(2-Hydroxyethyl)-morpholine N-oxide HMDB0033453;HMDB0142963;HMDB0029449;HMDB0061157
3-cis-Hydroxyglipizide;4-trans-Hydroxyglipizide HMDB0060934;HMDB0060935
N-Gluconyl ethanolamine HMDB0032293
9-HODE;13-HODE;13S-hydroxyoctadecadienoic acid;9,10-Epoxyoctadecenoic acid;(9Z,​11E)-13-HODE;Avenoleic acid;12-Hydroxy-8,10-octadecadienoic acid;(Z)-13-Oxo-9-octadecenoic acid;Alpha-dimorphecolic acid;(10E,12Z)-9-HODE;12,13-EpOME HMDB0010223;HMDB0061708;HMDB0004667;HMDB0004701;HMDB0112194;HMDB0029978;HMDB0029998;HMDB0029796;HMDB0004670;HMDB0062652;HMDB0004702
Pummeline;Koeniginequinone B;4-hydroxy ketorolac HMDB0040382;HMDB0032109;HMDB0060647
Azelaic acid;Nonate;(+/-)-Ethyl 3-acetoxy-2-methylbutyrate;(+/-)-Methyl 5-acetoxyhexanoate;3-Methylsuberic acid;2,4-Dimethylpimelic acid;cis- and trans-Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate;Diethyl glutarate;Diethyl methylsuccinate;Butyl ethyl malonate HMDB0000784;HMDB0011717;HMDB0032258;HMDB0032387;HMDB0059783;HMDB0059760;HMDB0032200;HMDB0059879;HMDB0059814;HMDB0036233
Triethanolamine HMDB0032538
Furanone A;4-Hydroxy-2-butenoic acid gamma-lactone HMDB0094691;HMDB0032330
(S)-N-Methylsalsolinol;(R)-N-Methylsalsolinol;2-Isopropylphenyl methylcarbamate;Ethyl N-ethylanthranilate;2-Methylpropyl 2-aminobenzoate;Butyl 2-aminobenzoate;(-)-Salsoline;(R)-1,2-dimethyl-5,6-dihydroxy-tetrahydroisoquinoline HMDB0003892;HMDB0003626;HMDB0031797;HMDB0037698;HMDB0035072;HMDB0036906;HMDB0012469;HMDB0012484
(Z)-3-Methyl-3-decenoic acid;3-Hexenyl 2-methylbutyrate;5-Octenyl propanoate;2-Hexenyl valerate;Prenyl caproate;Methyl 2-decenoate;2-Propenyl octanoate;Ethyl 3-cyclohexylpropionate;2-Hexenyl isovalerate;Citronellyl formate;Pent-2-enyl hexanoate;cis-3-Hexenyl pentanoate;Cyclohexyl 3-methylbutanoate;(Z)-3-Methyl-4-decenoic acid;trans-2-Hexenyl 2-methylbutyrate;Undecylenic acid;Methyl citronellate;Rhodinyl formate;Cyclohexyl pentanoate;cis-3-Hexenyl 3-methylbutanoate;cis-3-Octenyl propionate;cis-3-Hexenyl 2-methylbutanoate;Ethyl (E)-2-nonenoate;xi-gamma-Undecalactone;2,3-Undecanedione;(E)-3-Heptenyl 2-methylpropanoate;6-Hexyltetrahydro-2H-pyran-2-one;5-Hexyldihydro-4-methyl-2(3H)-furanone;(x)-1-Nonen-3-yl acetate;trans-2-Hexyl-1-cyclopropaneacetic acid;6-Methyl-5-hepten-2-one propyleneglycol acetal;5-Hexyldihydro-5-methyl-2(3H)-furanone HMDB0031062;HMDB0032320;HMDB0038906;HMDB0038273;HMDB0032489;HMDB0032396;HMDB0040593;HMDB0031406;HMDB0038274;HMDB0033371;HMDB0032461;HMDB0031691;HMDB0034428;HMDB0031063;HMDB0032534;HMDB0033724;HMDB0037225;HMDB0037185;HMDB0034429;HMDB0038278;HMDB0032453;HMDB0038277;HMDB0031272;HMDB0038311;HMDB0031843;HMDB0032308;HMDB0036784;HMDB0037309;HMDB0037106;HMDB0031087;HMDB0032404;HMDB0036140
apo-[3-methylcrotonoyl-CoA:carbon-dioxide ligase (ADP-forming)] HMDB0059607
Ubiquinone-1;Methyl neopentyl phthalic acid;Helinorbisabone;3-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propanoic acid;3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-carboxylic acid;2-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propanoic acid;2-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propanoic acid HMDB0002012;HMDB0094669;HMDB0032116;HMDB0135907;HMDB0038804;HMDB0133182;HMDB0134155
3-Amino-2-piperidone;N-Mononitrosopiperazine HMDB0000323;HMDB0061162
Orotidine HMDB0000788
(2S,4S)-Pinnatanine;gamma-Glutamylproline;Hydroxyprolyl-Hydroxyproline;Prolyl-Glutamate;Glutamylproline HMDB0029439;HMDB0029157;HMDB0028864;HMDB0029016;HMDB0028827
Aspartyl-Aspartate;L-beta-aspartyl-L-aspartic acid HMDB0028749;HMDB0011163
3-Methylglutaconic acid;trans-2-Hexenedioic acid;Maleic acid homopolymer;Dimethyl fumarate;Ethyl hydrogen fumarate;(E)-2-Methylglutaconic acid;3-Hexenedioic acid;3-Hydroxyadipic acid 3,6-lactone HMDB0000522;HMDB0013311;HMDB0036232;HMDB0031257;HMDB0040207;HMDB0002266;HMDB0000393;HMDB0029171
4-Hydroxybenzylamine;2-Propionylpyrrole;2-Acetyl-1-methylpyrrole;1-Ethyl-1H-pyrrole-2-carboxaldehyde;p-Anisidine HMDB0032578;HMDB0032492;HMDB0040360;HMDB0036058;HMDB0029300
Sulcatone;3-Octen-2-one;2-Octenal;(E)-2-octenal;2-Ethyl-2-hexenal;(3xi,5Z)-1,5-Octadien-3-ol;2,5-Octadien-1-ol;(2E,4E)-2,4-Octadien-1-ol;(3E,5Z)-3,5-Octadien-1-ol;1-Octen-3-one;(S,E)-Filbertone;2-Ethylidenehexanal;2,4,4-Trimethylcyclopentanone;5-Methyl-5-hepten-2-one;6-Methyl-3-hepten-2-one, trans-;2-Octen-4-one;3-Methyl-3-hepten-2-one;6-Octenal;(Z)-5-Octenal;5-Octen-2-one;4-Octen-3-one HMDB0035915;HMDB0033547;HMDB0030961;HMDB0013809;HMDB0061945;HMDB0030966;HMDB0040146;HMDB0040151;HMDB0040149;HMDB0031309;HMDB0035242;HMDB0037152;HMDB0031197;HMDB0031591;HMDB0032403;HMDB0031301;HMDB0031590;HMDB0039769;HMDB0039770;HMDB0035390;HMDB0032451
D-Fructosazine;Isomugineic acid HMDB0035284;HMDB0033555
p-Cresol glucuronide;2-O-Benzoyl-D-glucose;D-Vacciniin HMDB0011686;HMDB0034618;HMDB0038492
3-Hydroxydodecanoic acid;xi-5-Hydroxydodecanoic acid;12-Hydroxydodecanoic acid;(R)-3-Hydroxydodecanoic acid HMDB0000387;HMDB0040169;HMDB0002059;HMDB0010728
8-Ocimenyl acetate;Ethyl (2E,4Z,7Z)-Decatrienoate;(S)-p-Mentha-1,8-dien-10-yl acetate;Ethyl (2E,4E,7Z)-Decatrienoate;Perillyl acetate;(2S,4R)-p-Mentha-1(7),5-dien-2-ol acetate;(R)-2-Acetoxy-p-mentha-1,8-diene;Carvyl acetate;Menthadienyl acetate;(±)-Myrtenyl acetate;4-Hydroxypropofol;(2,2-Diethoxyethyl)benzene;1-(4-methoxyphenyl)pentan-3-ol;Neocnidilide;(S)-Neolyratyl acetate;Hexylresorcinol;1-(2-Furanyl)-1-octanone;(S,Z)-Lyratol acetate HMDB0039685;HMDB0035376;HMDB0037018;HMDB0035375;HMDB0037231;HMDB0035801;HMDB0037389;HMDB0038046;HMDB0038292;HMDB0035126;HMDB0014018;HMDB0041610;HMDB0132986;HMDB0034450;HMDB0041497;HMDB0032567;HMDB0040439;HMDB0031840
O-methoxycatechol-O-sulphate HMDB0060013
8-Hydroxypinoresinol 4-glucoside;8-Hydroxypinoresinol 8-glucoside HMDB0033282;HMDB0033281
Alanyl-Glutamine;N-a-Acetylcitrulline;Glutaminylalanine;Alanyl-Gamma-glutamate HMDB0028685;HMDB0000856;HMDB0028790;HMDB0028701
1,11-Undecanedicarboxylic acid;Menthyl ethylene glycol carbonate;(±)-1,4-Nonanediol diacetate HMDB0002327;HMDB0036141;HMDB0037184
Avenanthramide 2s;Avenanthramide 2;5-hydroxy-2-{[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-ylidene]amino}-4-methoxybenzoic acid;Clovamide HMDB0029286;HMDB0033211;HMDB0137670;HMDB0039157
(3S,5R,6R,7E)-3,5,6-Trihydroxy-7-megastigmen-9-one;2-Carboxy-4-dodecanolide HMDB0038736;HMDB0030987
xi-8-Hydroxyhexadecanedioic acid;xi-7-Hydroxyhexadecanedioic acid;Emedastine HMDB0037831;HMDB0037830;HMDB0015216
Glycyl-Lysine;Lysyl-Glycine HMDB0028846;HMDB0028951
N-methyl-L-glutamic Acid;N-Acetylthreonine;Acetylhomoserine;hydroxybutyrylglycine;Glutamate, gamma-methyl ester;(±)-2,2'-Iminobispropanoic acid HMDB0062660;HMDB0062557;HMDB0029423;HMDB0094716;HMDB0061715;HMDB0033747
Monoiodothyronine HMDB0000793
Heptanoylcholine HMDB0013239
Pipecolic acid;D-Pipecolic acid;N-Methyl proline;Vigabatrin;L-trans-4-Methyl-2-pyrrolidinecarboxylic acid;2-Pyrrolidineacetic acid;N4-Acetylaminobutanal;D-pipecolate;1-Piperidine carboxylic acid;(2E)-Decenoyl-ACP;3-Acetamidobutanal HMDB0000070;HMDB0005960;HMDB0094696;HMDB0015212;HMDB0029435;HMDB0029444;HMDB0004226;HMDB0062767;HMDB0094697;HMDB0062225;HMDB0059649
6,8-Dihydroxypurine;Oxypurinol HMDB0001182;HMDB0000786
2-Amino-4-ethoxy-3-hydroxybutanoic acid;Bicine;1-Deoxynojirimycin HMDB0032862;HMDB0011727;HMDB0035359
Aspartylglycosamine HMDB0000489
Dicyclohexyl disulfide HMDB0041448
norcisapride HMDB0061018
Malonylcarnitine;O-malonyl-L-carnitine;Linamarin HMDB0002095;HMDB0062592;HMDB0033699
Pipecolic acid;D-Pipecolic acid;N-Methyl proline;Vigabatrin;L-trans-4-Methyl-2-pyrrolidinecarboxylic acid;2-Pyrrolidineacetic acid;D-pipecolate;N4-Acetylaminobutanal;3-Acetamidobutanal;(2E)-Decenoyl-ACP;1-Piperidine carboxylic acid HMDB0000070;HMDB0005960;HMDB0094696;HMDB0015212;HMDB0029435;HMDB0029444;HMDB0062767;HMDB0004226;HMDB0059649;HMDB0062225;HMDB0094697
Protocatechuic acid;Gentisic acid;3,5-Dihydroxybenzoic acid;2-Pyrocatechuic acid;2,4-Dihydroxybenzoic acid;2,6-Dihydroxybenzoic acid;Patulin;2,4,6-trihydroxybenzaldehyde HMDB0001856;HMDB0000152;HMDB0013677;HMDB0000397;HMDB0029666;HMDB0013676;HMDB0034299;HMDB0125090
3-Methyl-5-propyl-2-furannonanoic acid;Fauronyl acetate;Dihydropanaxacol;12S-HHT;3-Methyl-5-pentyl-2-furanheptanoic acid;5-Heptyl-3-methyl-2-furanpentanoic acid;5-Pentyl-2-furanoctanoic acid;Valeracetate HMDB0094642;HMDB0036422;HMDB0032675;HMDB0012535;HMDB0112095;HMDB0112087;HMDB0112098;HMDB0041388
{[(3Z)-4-{4-[2-(dimethylamino)ethoxy]phenyl}-3,4-diphenylbut-3-en-2-yl]oxy}sulfonic acid;4-Hydroxytamoxifen sulfate HMDB0144324;HMDB0061123
gamma-Aminobutyric acid;L-alpha-Aminobutyric acid;Dimethylglycine;3-Aminoisobutanoic acid;2-Aminoisobutyric acid;D-alpha-Aminobutyric acid;3-Aminobutyrate;(S)-b-aminoisobutyric acid;(R)-b-aminoisobutyric acid;N-Methylalanine;Butyl nitrite;3-Aminobutanoic acid;O-Acetylethanolamine;N-Ethylglycine HMDB0000112;HMDB0000452;HMDB0000092;HMDB0003911;HMDB0001906;HMDB0000650;HMDB0094693;HMDB0002166;HMDB0002299;HMDB0094692;HMDB0031329;HMDB0031654;HMDB0038394;HMDB0041945
Tyramine glucuronide HMDB0010328
1-Aminocyclopropanecarboxylic acid;(S)-2-Azetidinecarboxylic acid;L-3-Aminodihydro-2(3H)-furanone HMDB0036458;HMDB0029615;HMDB0029387
Sulfaphenazole HMDB0015667
(±)-cis-Linalyl oxide;trans-p-Menth-2-ene-1,4-diol;Ethyl 3-octenoate;cis-3-Hexenyl butyrate;5-Decenoic acid;Cyclohexyl butanoate;9-Decenoic acid;2-Hexenyl butanoate;6-Decenoic acid;5Z-Octenyl acetate;Ethyl 4Z-octenoate;Citronellic acid;2-Methylbutyl 3-methyl-2-butenoate;3-Decenoic acid;Isopentyl 3-methyl-2-butenoate;2-Octenyl acetate;(S,E)-2,6-Dimethyl-5,7-octadiene-2,3-diol;Hexyl crotonate;9-Hydroxygeraniol;Methyl (xi)-3-nonenoate;2-Propenyl heptanoate;Methyl 2-nonenoate;Ethyl (E)-2-octenoate;trans-Dec-2-enoic acid;8-Methylnonenoate;2-Exo-hydroxy-1,8-cineole;Linalyl oxide;cis-4-Decenoic acid;2,6-Dimethyl-3,7-octadiene-2,6-diol;1-Octen-3-yl acetate;(+)-6-Hydroxy-2,6-dimethyl-7-octen-4-one;3-Methyl-2,4-nonanedione;(±)-trans-Linalyl oxide;delta-Decalactone;xi-Tetrahydro-3-pentyl-2H-pyran-2-one;4-Hydroxy-2,6-dimethyl-7-octen-3-one;Cyclohexylethyl acetate;Lilac alcohol;(E)-3-(Tetrahydro-5,5-dimethyl-2-furanyl)-2-buten-1-ol;6-Decanolide;Menthone lactone;Cnidiol C;Linalool oxide (trans-pyranoid);1-Cyclopropyl-4-methyl-1,3-cyclohexanediol;Linalool oxide III;cis-3-Hexenyl isobutyrate;xi-5-Hexyldihydro-2(3H)-furanone;(+)-cis-Linalool 3,7-oxide;(±)-6-Methyl-5-hepten-2-yl acetate;2-Hydroxycineol HMDB0040726;HMDB0037021;HMDB0032275;HMDB0033377;HMDB0039768;HMDB0034427;HMDB0031003;HMDB0034581;HMDB0041012;HMDB0029358;HMDB0039795;HMDB0035837;HMDB0032393;HMDB0031002;HMDB0040530;HMDB0031297;HMDB0035122;HMDB0036211;HMDB0038744;HMDB0029859;HMDB0040208;HMDB0040194;HMDB0037497;HMDB0010726;HMDB0012183;HMDB0059610;HMDB0035907;HMDB0004980;HMDB0036990;HMDB0032452;HMDB0039149;HMDB0034880;HMDB0040727;HMDB0037116;HMDB0037632;HMDB0032119;HMDB0031362;HMDB0036099;HMDB0035839;HMDB0033203;HMDB0040330;HMDB0035365;HMDB0031440;HMDB0036992;HMDB0031441;HMDB0040213;HMDB0037217;HMDB0041630;HMDB0030031;HMDB0059852
6-allyl-8b-Carboxy-ergoline HMDB0060782
m-Coumaric acid;4-Hydroxycinnamic acid;Phenylpyruvic acid;Coumaric acid;cis-p-Coumaric acid;3-(2-hydroxyphenyl)oxirane-2-carbaldehyde;3-(4-hydroxyphenyl)prop-2-enoic acid;3-(2,3-dihydroxyphenyl)prop-2-enal;3-(3-hydroxyphenyl)prop-2-enoic acid;3-(4-hydroxyphenyl)oxirane-2-carbaldehyde;3-phenyloxirane-2-carboxylic acid;2-Hydroxycinnamic acid;3-(2,5-dihydroxyphenyl)prop-2-enal;4-methoxy-1-benzofuran-6-ol;Enol-phenylpyruvate;(2E)-3-(3,4-dihydroxyphenyl)prop-2-enal;3-(2-hydroxyphenyl)prop-2-enoic acid;Cis-2-coumarate;Trans-3-coumarate;Methyl Phenylglyoxalate HMDB0001713;HMDB0002035;HMDB0000205;HMDB0041592;HMDB0030677;HMDB0134031;HMDB0128076;HMDB0134029;HMDB0125104;HMDB0141768;HMDB0126545;HMDB0002641;HMDB0134030;HMDB0129375;HMDB0012225;HMDB0141767;HMDB0134028;HMDB0062655;HMDB0062774;HMDB0062605
Isosorbide Mononitrate;gamma-Carboxyglutamic acid HMDB0015155;HMDB0041900
Tetrahydro-2,5-furan-diacetic acid HMDB0059767
N-methyl-L-glutamic Acid;N-Acetylthreonine;Acetylhomoserine;Glutamate, gamma-methyl ester;(±)-2,2'-Iminobispropanoic acid;hydroxybutyrylglycine HMDB0062660;HMDB0062557;HMDB0029423;HMDB0061715;HMDB0033747;HMDB0094716
Pimelylcarnitine HMDB0013328
Dimethylphosphate;Ethylphosphate HMDB0061734;HMDB0012228
N-Acetyl-L-tyrosine;5-hydroxyphenylpropionylglycine;3-hydroxyphenylpropionylglycine;6-hydroxyphenylpropionylglycine;2-hydroxyphenylpropionylglycine;4-hydroxyphenylpropionylglycine;Salsolinol 1-carboxylate HMDB0000866;HMDB0094726;HMDB0094724;HMDB0094727;HMDB0094723;HMDB0094725;HMDB0013068
2,3-Dihydro-2,3-dihydroxy-4-(4-hydroxyphenyl)-1H-phenalen-1-one;gamma-Glutamyl-S-(1-propenyl)cysteine sulfoxide;Musanolone C;Dehydrowarfarin HMDB0032848;HMDB0031870;HMDB0037111;HMDB0060575
5-Aminopentanoic acid;Norvaline;Vaporole;Amyl Nitrite;N-Methyl-a-aminoisobutyric acid HMDB0003355;HMDB0013716;HMDB0001382;HMDB0015550;HMDB0002141
Argininic acid HMDB0003148
alpha-Terpineol acetate;3,7-Dimethyl-2,6-octadien-1-ylacetate;Allyl 3-cyclohexylpropionate;p-Menth-1-en-9-ol acetate;Dihydrocarveol acetate;Fenchyl acetate;alpha-Campholene acetate;cis-3-Hexenyl trans-4-hexenoate;cis-3-Hexenyl cis-3-hexenoate;Isopulegol acetate;(-)-Bornyl acetate;cis-3-Hexenyl trans-2-hexenoate;Methyl 2-undecynoate;Geranyl acetate;Ethyl 2Z,4E-decadienoic acid;Linalyl acetate;(S)-Santolina acetate;Yuzu lactone;(3R,3aR,7aS)-3-Butylhexahydro-1(3H)-isobenzofuranone;Dihydro-5-(2-octenyl)-2(3H)-furanone;Artemisia alcohol acetate;6-Heptyl-5,6-dihydro-2H-pyran-2-one;(Z)-4-Hydroxy-6-dodecenoic acid lactone HMDB0032051;HMDB0061816;HMDB0040206;HMDB0037301;HMDB0041469;HMDB0040725;HMDB0032193;HMDB0031692;HMDB0038270;HMDB0040227;HMDB0040397;HMDB0038280;HMDB0030945;HMDB0035157;HMDB0036599;HMDB0039522;HMDB0041494;HMDB0032901;HMDB0034903;HMDB0030867;HMDB0036048;HMDB0031030;HMDB0032331
Xanthylic acid;5'-xanthylate(2-) HMDB0001554;HMDB0062755
D-Glutamic acid;N-Acetylserine;N-Methyl-D-aspartic acid;O-Acetylserine;3-(Carboxymethylamino)propanoic acid;DL-Glutamate;N-lactoyl-Glycine;L-4-Hydroxyglutamate semialdehyde HMDB0003339;HMDB0002931;HMDB0002393;HMDB0003011;HMDB0033550;HMDB0060475;HMDB0062183;HMDB0006556
Tiglylcarnitine HMDB0002366
{3-[3-(2-hydroxyphenyl)propanoyl]phenyl}oxidanesulfonic acid;{3-[3-(3-hydroxyphenyl)-3-oxopropyl]phenyl}oxidanesulfonic acid;{3-[3-(3-hydroxyphenyl)propanoyl]phenyl}oxidanesulfonic acid;[4-(7-hydroxy-3,4-dihydro-2H-1-benzopyran-3-yl)phenyl]oxidanesulfonic acid;{3-[3-(4-hydroxyphenyl)propanoyl]phenyl}oxidanesulfonic acid;[2-hydroxy-5-(3-phenylpropanoyl)phenyl]oxidanesulfonic acid;[3-(3-hydroxyphenyl)-3-oxo-1-phenylpropoxy]sulfonic acid;3-(3,7-dihydroxy-5-sulfino-3,4-dihydro-2H-1-benzopyran-2-yl)benzen-1-olate;3-(3,5-dihydroxy-7-sulfino-3,4-dihydro-2H-1-benzopyran-2-yl)benzen-1-olate;[3-(3-hydroxy-3-phenylpropanoyl)phenyl]oxidanesulfonic acid HMDB0135451;HMDB0135458;HMDB0135459;HMDB0141213;HMDB0135462;HMDB0135416;HMDB0135455;HMDB0127799;HMDB0127895;HMDB0135454
Aspartyl-Glutamine;Glutamylasparagine;Aspartyl-Gamma-glutamate;gamma-Glutamylasparagine;Glutaminylaspartic acid;Asparaginyl-Glutamic acid HMDB0028751;HMDB0028814;HMDB0028767;HMDB0029144;HMDB0028793;HMDB0028730
2-Furancarboxaldehyde;Protoanemonin HMDB0032914;HMDB0060503
Zileuton O-glucuronide HMDB0060914
6-[3,6-dihydroxy-2-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-[2-hydroxy-4-(3-hydroxy-3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid;6-[2,5-dihydroxy-3-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-[2-hydroxy-5-(3-hydroxy-3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid;6-[3,5-dihydroxy-2-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[2,3-dihydroxy-5-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{2-hydroxy-4-[3-(2-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;Eriodictin;6-{4-[3-(2,5-dihydroxyphenyl)-3-oxopropyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[2,4-dihydroxy-6-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-{2-[3-(3,4-dihydroxyphenyl)-3-oxopropyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid;2-[3,4-bis(2-hydroxyethoxy)phenyl]-3,5-dihydroxy-7-(2-hydroxyethoxy)-4H-chromen-4-one;3,4,5-trihydroxy-6-{2-hydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;3,4,5-trihydroxy-6-{4-hydroxy-3-[3-(2-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;6-[3,4-dihydroxy-2-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{4-hydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;6-[3,5-dihydroxy-2-(2-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;5-hydroxy-2-(4-hydroxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one;3,4,5-trihydroxy-6-{[3-hydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}oxane-2-carboxylic acid;6-[4,5-dihydroxy-2-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{4-hydroxy-2-[3-(3-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;6-{4-[3-(3,4-dihydroxyphenyl)-3-oxopropyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[2,3-dihydroxy-4-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{3-hydroxy-5-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenoxy}oxane-2-carboxylic acid;2-O-Caffeoylarbutin;6-[2,5-dihydroxy-4-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-4-one;(2R,3R)-3,3',4',7-Tetrahydroxyflavanone 7-O-alpha-L-Rhamnopyranoside;5,7,8-Trihydroxyflavanone 7-glucoside;3,4,5-trihydroxy-6-[4-hydroxy-2-(3-hydroxy-3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid;7-Hydroxyaloin B;6-[3,5-dihydroxy-4-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[3,5-dihydroxy-4-(2-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[3-(3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{4-hydroxy-3-[3-(3-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;5-Hydroxyaloin A;6-[2,4-dihydroxy-3-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[2,4-dihydroxy-5-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{4-hydroxy-3-[3-(4-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;6-[3,4-dihydroxy-5-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{4-hydroxy-2-[3-(2-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;6-{2-[3-(2,5-dihydroxyphenyl)-3-oxopropyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{2-hydroxy-5-[3-(4-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;3,4,5-trihydroxy-6-{2-hydroxy-5-[3-(3-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;6-{3-[3-(3,4-dihydroxyphenyl)-3-oxopropyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid;Floribundoside;6-{5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-methoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[2,6-dihydroxy-3-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-{3-[3-(2,5-dihydroxyphenyl)-3-oxopropyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{2-hydroxy-5-[3-(2-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;6-[2,6-dihydroxy-4-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-[4-hydroxy-3-(3-hydroxy-3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid;Dihydrogenistin;4'-Hydroxyfenoprofen glucuronide HMDB0135390;HMDB0135432;HMDB0135386;HMDB0135431;HMDB0128100;HMDB0135423;HMDB0135420;HMDB0037480;HMDB0135375;HMDB0135387;HMDB0135418;HMDB0141964;HMDB0135444;HMDB0135381;HMDB0135391;HMDB0135376;HMDB0130017;HMDB0140590;HMDB0135130;HMDB0135383;HMDB0135372;HMDB0135442;HMDB0135429;HMDB0134585;HMDB0031347;HMDB0135382;HMDB0124767;HMDB0040536;HMDB0038775;HMDB0135368;HMDB0041150;HMDB0128101;HMDB0130018;HMDB0135129;HMDB0135373;HMDB0040832;HMDB0135392;HMDB0135384;HMDB0135377;HMDB0135388;HMDB0135380;HMDB0135379;HMDB0135443;HMDB0135437;HMDB0135436;HMDB0033739;HMDB0134586;HMDB0135428;HMDB0135371;HMDB0135419;HMDB0135424;HMDB0135369;HMDB0039935;HMDB0060772
(1R,2R,4R)-1,8-Epoxy-p-menthane-2,4-diol;3-Hydroxy-5Z-octenyl acetate;6-Methyl-2-methylene-6-octene-1,3,8-triol;Ethyl (3R,5Z)-3-hydroxy-5-octenoate;(1beta,2beta,5beta)-p-Menth-3-ene-1,2,5-triol;(1S,2S,4S,5R)-1,8-Epoxy-p-menthane-2,5-diol;exo,exo-1,8-Epoxy-p-menthane-2,6-diol;5-Hexyl-1,4-dioxan-2-one;(E)-10-Hydroxy-8-decenoic acid;2-Methylbutyl 3-hydroxy-2-methylidenebutanoate;3-Methylbutyl 3-hydroxy-2-methylidenebutanoate;6-Hexyl-1,4-dioxan-2-one;3-Oxodecanoic acid HMDB0041545;HMDB0030369;HMDB0038692;HMDB0030367;HMDB0038978;HMDB0033010;HMDB0041376;HMDB0039587;HMDB0039533;HMDB0040204;HMDB0040205;HMDB0039582;HMDB0010724
Sertraline HMDB0005010
Propionic acid;Methyl acetate;Hydroxyacetone;Lactaldehyde;3-Hydroxypropanal;D-Lactaldehyde;Ethyl formate HMDB0000237;HMDB0031523;HMDB0006961;HMDB0003052;HMDB0003453;HMDB0006458;HMDB0031229
N,N-Dimethylformamide;Aminoacetone;3-Aminopropionaldehyde;2-(methylamino)acetaldehyde;3-amino-propanal HMDB0001888;HMDB0002134;HMDB0001106;HMDB0142435;HMDB0062210
Glutaminylthreonine;Threoninyl-Glutamine;Threoninyl-Gamma-glutamate HMDB0028807;HMDB0029059;HMDB0029075
Trans-urocanate;(E)-Urocanic acid;Nicotinamide N-oxide;5-Oxo-2(5H)-isoxazolepropanenitrile;2-Aminonicotinic acid HMDB0062562;HMDB0034174;HMDB0002730;HMDB0031338;HMDB0061680
Valyl-Aspartate;Hydroxyprolyl-Threonine;L-N-(3-Carboxypropyl)glutamine;Aspartyl-Valine;Threoninyl-Hydroxyproline;4-(Glutamylamino) butanoate;N2-Succinyl-L-ornithine HMDB0029123;HMDB0028873;HMDB0029393;HMDB0028766;HMDB0029062;HMDB0012161;HMDB0001199
Isoleucyl-Threonine;Leucyl-Threonine;Threoninyl-Leucine;Threoninyl-Isoleucine;Spermic acid 2 HMDB0028917;HMDB0028939;HMDB0029065;HMDB0029064;HMDB0013075
gamma-Glutamylcysteine;Glutamylcysteine;Cysteinyl-Glutamate HMDB0001049;HMDB0028816;HMDB0028774
3,4,5-trihydroxy-6-{[3-(6-hydroxy-7-methoxy-2H-1,3-benzodioxol-5-yl)prop-2-enoyl]oxy}oxane-2-carboxylic acid;3,4,5-trihydroxy-6-{[3-(7-hydroxy-6-methoxy-2H-1,3-benzodioxol-5-yl)prop-2-enoyl]oxy}oxane-2-carboxylic acid;6-{[6-(2-carboxyeth-1-en-1-yl)-5-methoxy-2H-1,3-benzodioxol-4-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid;6-{[6-(2-carboxyeth-1-en-1-yl)-4-methoxy-2H-1,3-benzodioxol-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid HMDB0128726;HMDB0128728;HMDB0128727;HMDB0128725
N-Butyrylglycine;Isobutyrylglycine;N-Propionylalanine;Allysine;Methyl aminolevulinate;L-cis-4-(Hydroxymethyl)-2-pyrrolidinecarboxylic acid;L-trans-5-Hydroxy-2-piperidinecarboxylic acid;(S)-2-amino-6-oxohexanoate;(S)-5-Amino-3-oxohexanoate;N-(2-Carboxymethyl)-morpholine;2-Keto-6-aminocaproate HMDB0000808;HMDB0000730;HMDB0094698;HMDB0001263;HMDB0015127;HMDB0029425;HMDB0029426;HMDB0059595;HMDB0012131;HMDB0061156;HMDB0012151
Marcanine A HMDB0033757
(Z)-1-(Methylthio)-5-phenyl-1-penten-3-yne HMDB0032688
Fructosamine;beta-D-Glucosamine HMDB0002030;HMDB0030091
Dihydroferulic acid 4-sulfate;5-(4-Acetoxy-1-butynyl)-2,2'-bithiophene;3-[4-methoxy-3-(sulfooxy)phenyl]propanoic acid HMDB0041724;HMDB0034454;HMDB0131144
L-Hexahydro-3-imino-1,2,4-oxadiazepine-3-carboxylic acid HMDB0030402
Triethylene Glycol Monomethyl Ether HMDB0062666
Dioscorine;N,N,O-Tridesmethyltramadol HMDB0030305;HMDB0060850
Malonyl-Carnitin;(S)-carnitinium HMDB0062496;HMDB0062634
Alanylglycine;Ureidoisobutyric acid;D-Glutamine HMDB0006899;HMDB0002031;HMDB0003423
Thiosulfate;Hydroxidodioxidosulfidosulfate HMDB0000257;HMDB0060293
Taurocholic acid;Taurohyocholate;Tauroursocholic acid;Tauro-b-muricholic acid;Taurallocholic acid HMDB0000036;HMDB0011637;HMDB0000889;HMDB0000932;HMDB0000922
Pyrroline hydroxycarboxylic acid;Pyrrolidonecarboxylic acid;5-Oxoprolinate;N-Acryloylglycine;1-Pyrroline-4-hydroxy-2-carboxylate;(3R,5S)-1-pyrroline-3-hydroxy-5-carboxylic Acid;dimethadione HMDB0001369;HMDB0000805;HMDB0060262;HMDB0001843;HMDB0002234;HMDB0062585;HMDB0061093
Pyrroline hydroxycarboxylic acid;Pyrrolidonecarboxylic acid;1-Pyrroline-4-hydroxy-2-carboxylate;N-Acryloylglycine;5-Oxoprolinate;dimethadione;(3R,5S)-1-pyrroline-3-hydroxy-5-carboxylic Acid HMDB0001369;HMDB0000805;HMDB0002234;HMDB0001843;HMDB0060262;HMDB0061093;HMDB0062585
Citraconic acid;Glutaconic acid;Methyl hydrogen fumarate;2-Pentendioate;Itaconic acid;2-Hydroxyglutaric acid lactone;2,5-Dioxopentanoate;Mesaconic acid;Gamma-delta-Dioxovaleric acid HMDB0000634;HMDB0000620;HMDB0033809;HMDB0061185;HMDB0002092;HMDB0059743;HMDB0060365;HMDB0000749;HMDB0013233
Indoleacetaldehyde;N-Hydroxy-1-aminonaphthalene HMDB0001190;HMDB0062503
(±)-3-Hydroxynonanoic acid;2,4,6-Triethyl-1,3,5-trioxane HMDB0031513;HMDB0034040