Metabolite_name RefMet_name C10_215 C1_160 C2_171 C3_183 C4_186 C5_189 C6_190 C7_190 C8_194 C9_213 T10_175R T11_181R T12_184R T13_231R T14_253R T1_48D T15_258D T16_262D T17_281D T18_287D T19_317R T20_322R T21_360R T22_421D T2_52D T3_106DR T4_109R T5_114R T6_118DR T7_121DR T8_161R T9_164D Factors - Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:TTTS Group:TTTS Group:TTTS Group:TTTS Group:TTTS Group:TTTS Group:TTTS Group:TTTS Group:TTTS Group:TTTS Group:TTTS Group:TTTS Group:TTTS Group:TTTS Group:TTTS Group:TTTS Group:TTTS Group:TTTS Group:TTTS Group:TTTS Group:TTTS Group:TTTS 10(E)-Heptadecenoic Acid 3335628.5110 14274066.3100 7228407.0500 6665808.2300 3441411.3850 6370853.2150 3376648.0980 6276305.8970 2983504.0100 6617537.4710 6317255.3740 7168472.0840 4506512.4900 6075918.6650 3990135.8280 5206353.5900 8544742.0790 8016432.2030 7174683.6640 4267426.2670 5802176.0720 2168401.3140 8721270.8340 6768974.8000 11606337.6300 7588719.9410 3230822.4840 7566412.2510 6063113.4430 7762695.2990 5813751.8740 7320237.4880 "10(Z)_13(Z)-Nonadecadienoic Acid" 15987.6917 45216.3167 11600.1887 115819.9690 39185.1705 52429.4192 49095.9854 39476.3372 14558.5306 75800.8938 31164.0061 27872.2383 31711.7043 27044.1396 35166.6906 51605.9897 26526.1120 57501.8804 63398.7656 62974.9137 31721.9582 80360.8758 39269.8171 10(Z)-Heptadecenoic Acid 10Z-Heptadecenoic acid 3327976.4460 14263540.8900 7221078.5950 6656569.6820 3431481.8080 6360071.4810 3366183.1250 6261733.3070 2971964.7000 6611861.3250 6280994.9550 7128147.8080 4476850.1730 6064046.3340 3976803.7600 5195284.2120 8529782.6880 7974480.8210 7137454.4760 4252914.6210 5774062.2730 2156002.5100 8677625.3100 6729927.3830 11567983.9000 7556486.4150 3217472.6850 7527577.9570 6031568.7350 7719748.6930 5787201.6030 7278496.7790 11-Dodecenoic Acid 44502.4603 67963.9081 47423.0872 31284.1904 70994.3878 28985.7590 101733.1891 99701.3579 58868.0730 53166.1833 39924.4695 66884.6414 44946.4330 46417.2717 11(E)-Eicosenoic Acid 72145.9417 28889.7919 59580.2686 79567.5237 40750.0545 64308.6175 88358.2774 62726.5339 68169.2052 113559.1523 990453.5234 995825.6692 967012.7541 69339.6235 75951.7150 23304.9787 805423.6866 716528.7202 938153.3618 56644.4062 743450.0941 56897.0488 968604.6814 939118.0182 828383.5217 1005857.9560 87752.6802 1044434.4500 1013192.8620 1057581.3510 1086446.3150 854167.7667 (11E)-Octadecenoic acid trans-Vaccenic acid 459632.8100 2460093.2430 1158917.8290 1072366.2300 515275.1015 742939.2816 341852.1642 513685.3088 324848.9151 911701.3768 42476.3421 147385.6414 28905.2342 885715.3682 653312.2622 769789.9133 512767.0488 6183.8416 46018.4018 509837.2106 6212.3031 255460.3159 23954.9974 35995.6712 872359.1744 63862.0969 490211.8942 46709.9262 69987.1419 114734.8341 76990.6736 33314.2739 12-Tridecenoic Acid 563787.7133 2344928.5090 1855778.3140 1853538.9990 613105.7393 2161283.3720 966733.7455 2236157.5640 877860.1215 1642000.7700 891045.1695 825495.9352 801319.7117 1619326.6750 882084.7564 1137977.6750 834633.6179 1620032.9700 732821.5877 1165783.9710 1127194.8300 441732.5897 953484.0964 866327.3810 885074.7594 718234.4212 673806.2742 801187.9229 621366.1893 610295.9604 590995.7094 1026098.3580 "12(Z)_15(Z)-Heneicosadienoic Acid" 10119.5786 10119.5786 10119.5786 10119.5786 10119.5786 10119.5786 10119.5786 10119.5786 10119.5786 10119.5786 369623.9695 238038.3036 220885.1401 20239.1572 209915.8177 272422.1741 214537.1083 29794.4576 164549.4872 177572.3953 118431.4480 276558.5799 413940.3408 472077.6543 341716.6861 246361.2259 280734.3959 371780.4886 "1_3-Dipalmitoylglycerol" 3543.4449 1007.5509 2544.4816 7846.1248 975647.5796 1023888.0580 750863.0771 649162.2447 438421.7094 921521.8867 577311.7955 1577.9199 819046.5951 685896.5732 794385.2994 1017261.6840 832160.3967 1050549.2750 1071502.0410 1005334.0330 811308.9013 13 Retinoic Acid 76957.7484 47054.8581 42982.0414 49028.5837 54808.0647 63367.9243 81162.8184 62768.5575 56479.7332 293872.8985 288441.3221 248417.0958 2916705.4470 244756.1890 321672.4273 164033.6497 93135.4871 294839.6200 361053.5741 219747.8637 229378.0901 42367.5010 198524.9635 238077.5856 294282.9853 227462.6767 250497.8771 1-Aminocyclopropanecarboxylic Acid 1-Aminocyclopropanecarboxylic acid 642113.9247 407526.6406 512406.7194 670610.9521 696792.9061 627969.2429 369645.5887 483268.6685 439739.9647 623690.8346 366775.4189 277914.5326 293196.6149 606826.5314 402540.3729 404216.2207 315992.7274 267734.4742 478583.6964 385890.7532 315684.7842 326252.5072 328554.2576 340177.7609 364547.9908 376083.3206 416071.2274 536790.1740 325573.8399 238017.5538 483679.2955 303320.4836 1-Hexadecy2-Arachidonoyglycerol 7268.5052 398684.9072 13677.4286 102288.3864 58029.2602 93498.2692 77924.3090 7218.0994 36727.0890 6231469.8840 6394865.0090 5888750.1760 32420.8013 6345784.8170 4090092.0700 7078001.7030 25960.0039 5044793.4180 59724.9014 6624052.9180 6144083.6580 6694843.4420 7256090.4390 17131.0162 7168158.0170 6983762.7150 7729466.9270 7598993.4090 6134067.0620 1-Methyladenosine 1-Methyladenosine 90612.6362 212604.5918 179270.0090 140019.8391 111127.1031 33287.6138 25965.7575 78705.5646 378314.6954 43214.0575 188809.7384 155355.6015 155087.2457 550707.0389 182150.5487 146955.5393 76251.2827 245675.0378 108199.5951 264484.9930 234878.3855 59765.3662 143689.0585 118746.9989 495346.9052 565113.2796 114848.9921 110617.9479 387723.0007 163716.1716 320635.5587 113078.0624 1-Methylguanine 1-Methylguanine 1419733.2080 1946325.7290 2208757.8560 2030515.2670 1155664.0850 1345169.1690 736420.6510 1046637.4230 877912.9849 1808901.3410 865373.5024 1426453.4120 647111.0542 1138928.9740 1138689.2510 1079518.0450 1318716.8860 863873.1200 1169536.5440 711639.1617 727425.7589 390419.9638 1393340.5580 1400493.3530 2189976.7210 1891569.7340 1318708.1110 1139106.7570 1359176.1180 1221875.4120 2238985.6520 655004.1805 1-Methylnicotinamide 1-Methyl nicotinamide 1838971.4870 3251758.8090 4670947.9460 2399750.8890 1183733.6540 2359328.9950 781675.6740 1607408.1300 1914421.3540 3153255.4000 1940971.0670 3149709.2730 1652939.2470 2157738.9990 1955591.7050 1952349.2240 2196380.9360 2265099.1340 2738278.0640 2023423.0300 1783318.7230 886802.5815 1617898.6870 1549816.5010 3237616.3440 2430284.7550 1708472.2520 2311949.8460 1769481.3180 1335754.0860 3981404.8150 1377865.2620 1-Myristoylglycerol 80252.2573 174417.0499 69661.3575 69888.9737 57220.6740 195760.6612 72626.0473 111144.3606 48855.5608 37305.4337 708828.8533 314045.8467 54115.8720 78846.1827 60534.5560 175486.1401 61187.1486 83079.1917 "2_3-Pyridinedicarboxylic Acid/Quinolinic Acid" 132305.4876 146239.6717 118924.9480 141534.1065 125264.9908 180440.8951 61661.8348 99348.9868 94912.4940 130335.5642 36335.9491 30199.1065 33682.9290 94519.3756 43581.3623 122932.9576 53918.4640 30000.2477 115346.1239 56349.2838 59205.6248 48990.5252 67883.5554 66832.8897 95912.3401 43261.5743 49324.0555 112166.2222 51673.0699 51983.2938 29193.3871 54445.4201 25-Hydroxycholesterol 25-Hydroxycholesterol 2210.5313 6966.6611 9389.4931 2018.2244 62389.7870 16396.7861 3398.0723 13115.3761 8232.2298 1344597.1470 1398791.6130 1073965.6470 6289.7104 4656.5023 2785.6344 994342.4125 745439.4990 1178297.4090 7021.8854 699247.4543 14490.5726 926960.8669 1078531.3510 1023158.6930 1274319.9500 1363.0438 1107452.4030 1434913.8090 1546096.7590 1443842.2370 1043014.7550 "2_6-Diaminopimelic Acid" 2,6-Diaminopimelic acid 7713052.7980 7762568.4170 7467334.5240 7465735.3950 7586673.2400 7654977.3160 7985984.8900 7670688.8530 7749974.4680 7511378.1090 8059634.0060 7674935.1370 7695626.9340 7309871.3070 7627458.8250 7805182.5530 7585942.6500 7888071.0640 7430324.5300 8365195.6670 7668469.1840 7618431.0060 7603808.7170 7488546.9440 7401340.4500 7805087.6620 7324120.5950 7495436.3650 7438338.4320 7478508.5840 7507667.4480 7696045.0750 2-Acetamido-2-Deoxy-Beta-Glucosylamine 334086.5986 342790.4229 338640.9382 350493.2294 339704.4773 337733.1252 334096.7968 325115.0620 322371.4864 330282.5323 338110.2725 329119.0594 327072.4265 340750.5422 344993.1521 343674.9833 352460.9281 323713.2564 339817.6460 333769.3967 326178.2555 305511.7071 342748.0234 331404.4534 352718.7164 348078.1322 333924.3904 337216.7952 352611.4317 334638.4359 372958.7522 341924.3056 2-Aminoisobutyric Acid Aminoisobutyric acid 697939.4921 815552.2758 1042183.4650 786571.2069 704060.3864 915652.1788 470914.9532 667264.5002 452856.0704 691553.1024 327838.9606 261981.5355 335373.6883 535026.5760 412349.5284 484912.7659 503717.7539 305704.3816 509141.1092 393519.4220 386617.8683 374167.1878 373372.1573 407353.9030 492365.1447 454855.1137 466104.2028 528641.6112 480519.4117 267403.1157 443660.1455 380614.2498 2-Linoleoyl Glycerol MG 18:2 5935885.3030 10417191.8800 4238110.8870 4505611.4860 4542788.1690 3343641.0750 1479127.8870 1948111.7150 1783595.4410 6155142.0470 1070356.6510 2189266.7460 1949161.3430 3278350.3130 4050792.0270 3461776.9670 2477837.2480 1750865.4190 4686893.3780 2130363.7910 2049261.0150 2563681.8210 2945154.9900 2797049.3280 3603133.9630 2574784.5570 4134017.3920 2675021.5260 3734931.8470 3040080.6910 2757217.9710 3508299.4110 2^-O-Methylinosine 197495.0478 323726.3407 308340.6499 349556.7899 126451.4674 254741.2969 113538.5312 161751.6656 152998.7563 270776.0135 106006.2733 150629.5355 83975.3105 131803.0511 167774.1613 210477.6005 182269.5122 178410.6085 126965.7293 109940.9921 127179.0659 51920.1423 105810.6412 139563.3294 386591.6994 262642.9330 192722.7678 135477.9809 131074.5958 116605.0659 278937.5654 138429.4147 2-Phenethylamine Phenylethylamine 1765425.6990 1672989.0940 1745366.7140 1823230.9000 1883139.2230 2125272.2650 2216997.6740 2167314.7940 2250855.1980 1597330.1650 2308708.8560 2180895.3180 2250850.0950 1826193.9050 1935220.9850 1630988.3550 1810307.3920 2298585.4460 1783733.3390 2152917.0340 2188382.8790 2197362.5020 1751419.2490 1806876.0380 1576883.9190 1731975.9130 1689224.1860 1862187.7840 1954479.8450 1568570.4700 1902180.2960 2079665.8900 2-Pyridylacetic Acid 3-Pyridylacetic acid 435479.6548 79108.6980 1379478.1040 51476.0766 110252.2903 222340.1246 36879.5594 18553.3117 28126.8996 47400.2260 12599.1511 9587.0609 20332.4552 1234766.5080 64481.3488 59927.8893 27284.6953 499000.8427 13473.0078 308902.5118 24244.2648 30724.9349 1793903.5070 33867.0773 249816.9835 6256479.3710 56681.2449 44371.0092 177743.4225 94976.8884 57122.0313 175520.2805 3-Aminoisobutyric Acid 3-Aminoisobutanoic acid 1800172.7280 449846.9479 1127843.9040 1119428.5690 1593509.5980 859344.3018 1358299.8080 894043.6289 1471568.6440 1221639.4660 468352.4369 369825.0911 577800.3692 1247044.8200 1523531.1720 1446214.3880 447951.6175 437015.7843 557637.7310 1291550.7200 598269.9569 1521907.2690 480870.7711 701111.8912 391490.7350 444529.5284 1706945.2940 504996.0425 471058.2434 478687.0277 486773.6571 362526.3157 3-Methyladenosine 90612.6362 212604.5918 179270.0090 140019.8391 111127.1031 33287.6138 25965.7575 78705.5646 378314.6954 43214.0575 188809.7384 155355.6015 155087.2457 550707.0389 182150.5487 146955.5393 76251.2827 245675.0378 108199.5951 264484.9930 234878.3855 59765.3662 143689.0585 118746.9989 495346.9052 564281.7585 114848.9921 110617.9479 387723.0007 163716.1716 320635.5587 113078.0624 3-Methylhistidine 3-Methylhistidine 271378.9584 562620.1083 10978.6133 245625.4041 135806.1531 182192.4967 1613.2147 1554.5163 73600.0148 136286.5362 55243.1649 135252.2098 66149.2815 234655.4745 51914.8298 46891.3045 454974.7125 32102.8755 53952.4998 63183.3950 146974.6785 29658.1155 4940.0225 56148.0022 224921.6317 297014.9592 39117.4872 204832.6563 63181.6186 65937.0636 77599.6080 216594.7281 4-Acetamidobutanoic Acid 4-Acetamidobutanoic acid 759753.7438 1803129.8600 279384.4172 1312120.0740 465113.7183 143525.0389 336320.6071 1400038.0880 361036.9600 475905.8470 181356.3085 222702.2566 231300.6236 2337506.1960 555666.0994 698821.1826 4635649.6130 352390.6416 399204.3807 498167.7791 447431.7194 424135.0863 732825.0626 300163.9896 434599.2057 301781.7746 297094.9575 811587.3411 498827.2285 167850.4805 505121.2278 598105.8403 4-Hydroxyphenylpyruvic Acid 4-Hydroxyphenylpyruvic acid 2032.7946 28448.9303 4208.2380 34403.0062 6177.9654 6660.0575 3946.2131 11242.3743 5333.3238 7798.0228 14684.5225 19492.9120 1654.9831 29045.3096 19521.7260 13196.8630 12415.5659 14161.8278 6665.5257 49441.5352 43980.3513 1677.5515 11539.8152 23403.1804 28406.1926 44064.7541 11235.2465 4-Imidazoleacetic Acid Imidazoleacetic acid 1436114.2460 766416.7906 1134686.4390 1151622.5850 1245358.5760 1267031.8590 1417335.2960 1392530.7660 1557768.1190 1325026.8210 775087.0240 613852.2282 869095.2932 1194621.1070 1228236.5480 1260950.6710 641776.2175 852153.0500 679725.6026 1410242.8540 971982.6162 1560560.8710 676332.4502 877280.5201 516411.1652 622429.5185 1234284.0410 667536.9227 612890.5883 569002.9020 641628.0808 660593.8593 "5_6-Dihydrouracil" Dihydrouracil 183762.5318 3186.2810 4366.7949 4871.6313 1530.0113 31105.1277 55124.4272 8835.2332 56444.2776 47211.8504 29025.3661 22352.7178 46288.8976 22917.4205 160656.2544 56386.0232 38516.0989 33059.8849 47375.0797 48632.4062 34067.5398 "5_8_11-Eicosatriynoic Acid" 5,8,11-Eicosatriynoic acid 56550.9838 37990.0915 50656.2511 55719.2749 53204.8997 42725.5786 38010.2703 28300.3095 38642.6394 46227.6823 1588654.4060 2090362.5880 933412.9010 46453.3624 59218.9330 79744.6144 1532182.2210 338649.4921 1403476.2480 37498.4877 266412.8772 42441.6057 577939.0499 1125420.3200 739166.8476 1835437.1070 27455 1181464.3640 2803127.5020 2903907.7310 3395119.5460 722797.4971 5-Aminolevulinic Acid 5-Amino-levulinic acid 1986134.8440 2320081.1190 1640806.8060 1971403.2730 3436707 2911589.2930 4405931.6730 4599944.2940 6372032.8740 2958568.1900 3469300.6410 6402919.2830 5761042.8730 3815190.2430 2831076.6200 4924048.4190 4919321.9760 2753110.6210 3380676.4760 1963881.6820 3804921.5550 4352062.8720 2770928.1040 4271791.6810 3118481.7620 3985398.4790 4606863.8450 2810238.9040 3694677.3650 4440414.9240 3106135.1180 2583754.5870 5^-Deoxyadenosine 5'-Deoxyadenosine 113906.6560 57027.4359 52480.6276 14124.0298 4317.6082 2016.9184 11837.2654 8769.2797 51905.7285 20881.0213 19444.0353 5^-Methylthioadenosine (MTA) 5'-Methylthioadenosine 66902.3751 50903.8785 147370.3928 60651.3111 113985.0627 46362.2987 97466.3718 88882.7902 196831.8947 76269.6098 35311.7775 11761.7490 25356.0382 116725.6701 120620.0952 24552.1528 31366.9883 101878.2933 23564.3805 79537.3970 29953.9644 27741.3083 36938.3322 34146.5435 21432.5247 15780.4445 37260.1725 27619.7332 5-Oxo-Proline Pyroglutamic acid 22981.7356 6710.6579 12279.8952 17847.2528 17488.6647 20809.6566 7989.3059 7084.0725 17064.3185 4111.2505 21942.4633 40082.1882 20058.7978 86571.4959 26082.7744 48818.1400 49926.0738 11850.1739 94099.2830 9489.0153 44985.7983 18084.5297 41207.5019 49563.9977 87208.9647 52191.4979 20834.4422 142629.5436 51373.0684 66016.3265 59970.6965 25093.2656 "5(Z)_ 8(Z)-Eicosadienoic Acid" 19370.0554 19370.0554 19370.0554 19370.0554 19370.0554 19370.0554 19370.0554 19370.0554 19370.0554 19370.0554 1150132.3540 1184445.5380 1058877.3520 107965.8566 127466.9968 43779.0932 937947.6127 754431.1846 1140024.6120 107529.0442 903233.8944 100413.8548 1223159.2390 1023784.5950 1065745.3960 1192324.9240 38740.1107 1191186.2000 1194793.4290 1157076.2620 1156825.6610 1073510.8500 8(Z)-Eicosenoic Acid 71212.6469 28591.9675 59515.3114 76984.1528 40978.3687 66186.6870 87669.5525 62733.9167 69434.1095 118537.0089 1060597.7250 1088223.9900 1028619.4560 68141.2939 73939.8180 26365.3394 812498.8326 772241.8291 1013003.6230 899885.4568 1059000.9010 995049.3976 855151.3665 1081851.8450 1155217.6710 1103042.7080 1131805.7200 1148296.0400 906374.1004 9(E)-Tetradecenoic Acid 1493788.6440 7167252.1190 3773858.1010 3642721.5400 1655510.2580 3522176.9040 1707540.3720 3751496.2130 1503974.1660 3106485.1400 2593288.2230 3030735.0970 1950567.6830 3208323.5060 1985906.1300 2470802.1610 3428543.3030 3430939.8630 2777472.2940 2196450.8640 2473447.4990 1034314.5230 3410661.3400 2342982.4910 4359254.7190 2726961.2200 1484866.6040 2863941.0520 2141582.6540 2617026.0990 2240791.7350 3134053.8190 9 Retinoic Acid 56464.3866 35852.8662 50887.7589 54333.9756 53448.0553 42660.1524 37448.1413 26775.4183 38583.4654 46156.8933 1584675.2550 2083902.0530 930859.4712 45894.4809 56468.2793 77557.9107 1486824.3300 337387.4291 1401327.0860 36835.6701 266004.9156 41818.1911 542895.5692 1119606.2610 738034.9516 1843825.3700 27580.4741 1185003.4460 2815174.7750 2899460.9390 3410635.8270 690766.1624 AcetyCoA 8201.1769 15226.1779 9815.9177 9568.7020 9584.6289 10120.1169 4378.4139 4689.3542 9545.4401 10041.0683 18824.2971 14683.1645 16556.4265 9261.0117 13336.2112 9091.7202 14962.4025 10323.9697 16545.2111 15527.0690 14033.2017 12639.6953 18333.7353 17694.0625 16142.7232 12667.9582 16736.4933 15941.1422 13063.0704 16413.3217 15218.7102 13554.6785 Acetylcarnitine CAR 2:0 4786445.5460 49404430.2400 13794319.0100 17213762.5900 6441662.5450 6226110.5270 4657736.1860 5456170.3560 3359952.0370 9580795.3240 3847384.8040 4684360.7020 1674404.0670 4717671.4660 3046861.7630 3198738.0200 7899007.2630 2616642.1430 13483610.8500 1474317.7890 4694779.8070 1847831.9720 14117071.8000 9911674.2320 9961605.6420 5479445.6870 1979760.1360 11411346.5700 8887364.4880 8730458.6440 5806411.3240 3181037.3190 Adenine Adenine 42196.8311 39268.5834 57829.9501 31509.3812 29404.2895 49586.9037 66997.7452 34269.2862 62890.8048 21279.2989 32559.4627 55618.3501 32850.3111 56798.9797 83503.0010 37747.8528 30872.9333 46239.6000 19766.9180 46436.8864 30101.0192 29528.4559 25404.5289 29960.5697 150002.7876 58111.4228 38110.5824 56898.9800 43751.5435 28839.7009 96768.1473 14107.2523 Adenosine Adenosine 115596.4871 95859.0102 169992.7212 96413.7246 82916.5651 229060.3531 81485.7777 74859.4654 73756.5904 105665.1957 7077.8196 1650.7051 14008.0530 5741.0364 1312.0879 33786.2400 71015.7010 19191.5101 3092.4420 1685.4062 Adp-Ribose ADP-ribose 105914.6035 8010.9202 105914.6035 105914.6035 105914.6035 105914.6035 105914.6035 105914.6035 105914.6035 105914.6035 3691.3569 1925.4056 2656.1613 1743.9937 796.1000 3495.4427 3427.5895 6281.6718 3760.2643 3977.4411 17652.4757 6745.1083 18175.3952 AICA riboside AICAR 1805.5370 29462.4327 14615.0476 18264.1822 5128.0471 3902.9385 13130.2812 2491.9417 10511.2260 11610.7983 12993.8170 12198.3838 19078.0924 19764.2937 5376.3753 7348.1062 10561.5763 3621.7851 3754.7347 6188.9720 1342.0228 20010.3970 10571.7555 9344.0745 11352.2085 16035.1551 18069.7915 14744.9414 5770.1246 23097.4451 3688.3884 AIR AIR 54658.5698 5885.0270 20084.4217 18291.6675 25388.0395 10650.8054 16385.7164 18490.1058 28012.2737 35083.5447 4631.4968 3022.1791 8588.6456 22697.6358 28021.6548 25273.2222 2492.1994 2824.8436 11796.5357 15443.8825 10661.5345 28930.8974 6341.5825 16463.6069 2554.2464 5268.8341 32322.3008 9844.9567 5047.7675 2835.3019 4149.1794 3229.7201 Alanine Alanine 5342776.6100 6087398.6300 4747273.8810 6006573.7270 4847367.6280 6393159.2400 2555099.3460 3636547.4940 3444550.6030 5373575.0290 1725671.4170 1607818.9690 1617985.3160 3962535.1410 2197974.0140 4801147.8750 2730791.9200 1364193.4590 5423519.7470 2214110.6230 2525237.5360 2321092.1550 3213501.9140 2948788.4130 4857307.2490 2164642.9160 2217998.7710 4603982.4910 2638389.7240 2644688.3750 1825521.0640 2637386.0110 Allantoin Allantoin 509527.6007 15011.4333 10205.9113 3129.1767 12190.1151 15079.6380 11616.1187 1742.9408 13159.4037 55633.9134 16894.9636 5718.6011 25322.4822 40247.0112 65305.6676 22821.3400 20451.6324 8638.3411 3657.5225 11991.3802 19801.5324 Alpha-Linolenic Acid (18:3 N-3) alpha-Linolenic acid 32892.0597 207060.4571 258619.3173 581882.1696 213691.7806 29393.8179 106310.9965 171022.0728 4166061.6180 4349018.4770 3972988.9370 284823.5172 213542.0039 159588.3320 5916927.1590 2802853.3020 4481280.4980 161785.4029 4920298.3200 97900.9644 6867088.6340 3112470.7940 7136066.9490 3150642.8880 61192.0486 5886546.6510 5931584.9680 6441652.3530 3519545.6270 3394066.8260 Altrans Retinal Retinal 52957.7243 40729.5023 28422.7820 29303.3953 37804.4802 43358.9503 57011.6296 56973.0592 53461.3680 31097.4548 362546.7984 387318.5710 352455.7215 46841.3757 50384.1942 32512.5302 261054.2842 242978.1846 364765.3842 58014.9800 338277.3223 65986.9734 400516.5184 348537.6694 358448.4400 373542.3876 28623.4857 349741.3195 342132.1883 377809.1166 324872.5457 355819.7169 "Anandamide (18:2_N-6)" Arachidonoyl-EA 274964.4730 354516.3013 259192.0953 92836.8154 1326130.3800 348590.8591 222262.0999 276446.3803 268478.3887 150237.1977 957785.9397 1021629.8790 887535.2120 254845.9620 195018.7510 669390.4529 606740.5140 873571.6274 342031.8888 992512.3219 501395.7671 1192829.2600 928429.6923 1134414.9750 1029535.4230 113660.3346 1073852.3690 992342.3730 1270334.1850 1123110.2280 684043.3226 "Anandamide (20:3_N-6)" 216040.2868 282228.6041 148649.5953 85567.3284 898972.2713 316061.4494 210686.9103 437789.9531 192601.5107 48316.4006 176853.9412 165813.3739 134602.3591 154637.0153 142865.2320 93053.3728 148295.8333 64592.0767 272787.1045 175108.5800 600287.1208 265987.1188 138823.4672 284756.0666 115669.7105 42958.9939 130626.5120 91159.7448 123941.4668 123811.6624 103498.1907 "Anandamide (20:4_ N-6)" Arachidonoyl-EA 270989.8132 112549.3655 98604.9266 43724.8382 555252.5683 249233.9223 440343.7705 520198.8125 456847.4888 160702.4139 113101.7834 144405.0423 216922.5182 51647.8818 103158.5395 56584.5959 455984.9380 242304.9361 781054.2250 386167.5026 53601.9524 104432.9835 126069.0826 79069.1062 111253.0959 109724.1306 Arachidic Acid Arachidic acid 26520.9159 31679.8162 59307.2605 306479.9491 55310.8610 39073.7947 92885.1608 49551.3756 15530.8987 68140.7563 53520.4005 69259.2330 51177.7787 63724.4721 108836.2066 70362.6544 32900.2540 83326.4355 70704.6648 97216.6065 30453.2607 30587.9644 ArachidonoyPAF 110688.1081 202165.9620 557555.0933 488446.2470 908809.0088 162064.1355 124195.6292 214855.9692 61443.2384 100938.9333 10775.1006 74234.8285 3043.2177 30390.3639 2550.2614 175094.4648 214.2917 24520.5687 1363.3891 12435.9882 3843.0768 371404.9069 165797.5744 155855.8865 18429.7607 384035.3463 217078.5758 230717.5985 16503.4343 Argininosuccinic Acid Argininosuccinic acid 460321.2373 418458.0596 452481.2804 459142.9903 483196.6402 501197.4572 525928.7194 514497.5843 510393.4959 466045.9103 469682.8464 457442.2325 461217.3197 452286.0015 479683.7809 464831.1824 405601.9521 495752.3734 400712.5696 530045.9063 500986.3138 498736.2802 432564.6507 428919.6092 390268.2033 420392.0633 473009.5419 434015.5025 414721.9306 416354.4202 409379.8552 468324.6074 Asparagine Asparagine 190245.2441 149994.1369 19686.5481 361116.9076 111267.0852 176616.1175 23943.7251 217896.7389 31176.4792 4753.7513 39499.2469 145950.6080 231512.8431 149202.1986 36644.1790 Aspartic Acid Aspartic acid 5541881.6130 4464732.6750 5422688.4390 5319256.6820 5697974.6610 6372339.7130 6303581.5400 5954761.0700 6655931.5100 5863479.8980 4687919.6310 4250771.0100 5567491.2950 5335999.1960 5440700.4230 6277822.2520 4008431.4970 5576517.8990 4289647.1480 6634660.1560 5141324.9210 6890969.2070 4180073.7380 4891452.0250 3736532.0990 4389337.4150 5763363.9150 4312727.7750 4110910.9790 3799781.4300 4183701.8100 4735933.9490 Betaine Betaine 25036976.1400 56108502.1900 33038222.2500 30915926.7300 24458729.3700 21031450.4100 19362491.6000 19607986.1200 18563817.4800 27812950.4900 24975100.6700 29108293.1900 21914887.6900 26964558.8100 24051050.0200 25180194.1300 35715873.5800 27432537.4200 33338569.0900 20678262.0600 26175377.2200 17356029.2800 34452606.2900 29728999.4900 51668218.9500 38423440.8600 21865103.9100 39629959.2100 31522202.4100 36447725.4300 36606808.4600 28433091.4000 Bilirubin Bilirubin 1053582.0940 829064.3231 1228853.2310 1782677.7850 908688.8446 3715788.7370 2875534.2400 2448150.3510 1088145.0740 157910.5467 47619.0834 77827.0832 37630.9952 1270932.7270 47563.5937 122713.4680 365841.5779 7259.9565 834610.7748 825.6788 219706.9736 64290.0155 20814.2657 5769.5578 268174.0078 639704.4190 45992.2129 70268.4620 37759.2727 62538.0671 100086.2255 Butyrylcarnitine CAR 4:0 941401.1943 8725771.9890 2216951.0920 2744808.9980 1224938.3060 1508859.8400 951045.6077 947311.6638 661864.7861 3307068.9800 1596940.1960 1880218.0120 593193.6922 1165171.5640 1046521.0230 928052.1140 1450855.9940 1772971.8390 2496388.0160 746461.7929 1295752.4790 471921.0770 2669946.9020 1768416.6490 3257704.7320 2062238.4810 624778.0780 2119938.2180 2745896.9800 2791192.0520 3352715.4480 1304385.8320 C2 Dihydroceramide 243399.6921 274348.4856 153061.3831 122801.8249 928325.9625 407020.9857 277060.3857 761407.0028 226834.0586 96409.7135 129784.1960 239899.5229 128131.4078 186824.2771 223026.3416 56666.7266 120933.2926 148623.0610 112362.9351 330922.2146 173904.5245 816982.9193 545656.2079 144345.4703 414434.6186 139693.3467 127113.7727 173795.6361 159195.4099 234917.2052 310829.5624 108870.0361 C8 Ceramide Cer 18:1;O2/8:0 342077.4128 342077.4128 342077.4128 342077.4128 342077.4128 342077.4128 342077.4128 342077.4128 342077.4128 342077.4128 1442192.2570 1340571.3840 1760076.1990 952126.5454 684154.8256 886278.1748 1477042.9140 2023934.4800 995870.6384 2103972.4650 2050264.8950 2165269.6640 1345306.7620 1485690.9760 1342755.5010 1051960.4620 Caffeine Caffeine 93879.4559 75294.5085 97889.2754 757629.2905 1051685.7050 37571.2533 373377.8083 1359890.8620 450697.2709 35612.9639 273639.1695 728365.7230 1231444.3010 10092.8548 302858.8181 62628.3324 40572.0577 129016.0836 124612.8470 54789.1418 167773.4347 1205707.9470 93832.4896 154101.3071 Capric Acid Capric acid 39417.4585 92752.6467 131571.0636 115774.6533 111836.4072 40098.9286 47871.4439 46976.0567 102083.9752 131782.5673 91010.2757 98169.5492 96995.7205 50917.9624 157186.9848 141795.8264 97618.8769 66516.2780 92759.5066 127152.0833 70754.7519 129833.5032 82528.9968 88718.8343 103972.4267 103429.2282 121293.7859 105369.2686 124013.5522 103736.3741 81417.7753 90067.8533 Caproic Acid Caproic acid 5644.1371 4431.1613 11822.6945 2167.5187 11029.8791 17884.7506 24994.5178 11650.0661 5481.6330 18272.5214 473919.2029 524933.8387 440748.1659 17846.7738 17353.5223 10012.2139 383130.9274 252019.1884 477435.1852 11074.4216 332391.7030 26103.7255 426775.1236 397170.6181 401971.2839 513758.6211 14454.8592 477942.5380 591595.8955 589838.5188 607646.3603 405677.8997 Carnitine Carnitine 10134042.3600 48014090.9800 11242056.4600 17297524.3200 7773446.6510 9575658.8680 4084078.4750 5765854.1100 2792584.2120 8286373.1480 9209477.9550 9349008.1200 3517016.0920 11930855.7900 6247105.7930 8022782.3660 19568905.5400 4452116.5070 29822700.9500 3612712.6380 8785543.6560 5159772.2220 17482562.5100 10267057.8300 31503284.2400 13071348.4800 5514996.5340 29015680.7900 16430581.6400 19359127.8400 8709349.3130 9991820.4530 Chenodeoxycholate Chenodeoxycholic acid 69770400.2900 121369200.9000 51356412.5500 52559470.4800 52145804.2100 38052880.0700 14366341.0400 17359271.0800 20795874.4700 70827845.3600 10041380.5400 21483697.9300 19320687.3000 36466695.6800 43195480.8000 42442064.1700 24847516.4700 19155993.9800 48063141.6300 24080634.0900 20325032.9500 30520013.3500 28527307.6300 27871716.8900 35883040.1400 26437049.3800 49943791.1000 25791528.6400 36510458.6200 29625918.1800 23497608.4900 34440828.2900 Cholesteryl Acetate Cholesteryl acetate 767858.2094 1065527.2180 1234621.4300 1242624.4530 1449955.5500 987395.8480 1162981.3690 1090944.4920 1299078.6680 750835.9605 630274.7926 621104.8931 374150.0820 690452.5803 418588.7329 490970.0450 288169.6825 329615.2314 285533.5809 425296.8592 249365.1337 367793.4464 438635.2401 362580.2344 606593.7455 665391.0670 422518.7628 805262.8918 604198.1813 690003.8056 297996.7551 Cholesteryl Palmitic Acid CE 16:0 5760.7933 5760.7933 5760.7933 5760.7933 5760.7933 5760.7933 5760.7933 5760.7933 5760.7933 5760.7933 96756.5943 96814.2052 68328.4755 55681.6886 37611.3703 88438.6315 11521.5865 55729.1588 62756.4855 45023.7310 101891.1037 135497.2344 96255.1696 133133.5588 152756.9485 208406.8078 70670.6908 Choline Choline 29803302.6600 65089724.8900 42797586.0800 51513317.2800 39024992 26061575.4100 31837870.7900 29768247.0700 23773083.5100 38474710.6100 34881328.5900 43610133.4000 30231295.9300 44368748.9000 38930390.9700 44190025.3200 49759638.2800 40343530 47411990.5900 28309369.7400 31850714.1600 19102161.7300 45728271.0900 42414039.3700 69610711.7300 62561654.6600 37542013.9100 46661660.9700 56891416.1500 51945614.8100 65992689.6400 35622447.9500 Citrulline Citrulline 528882.2139 600840.8308 331117.7667 466806.3413 343561.5051 298841.7282 221476.2878 239241.6871 332938.2879 437093.3209 236998.4677 148012.4926 107386.5561 632998.1063 448234.0947 402933.2965 266976.5629 128139.7383 276674.1600 245157.3097 255269.5309 304003.4474 283174.3094 329261.8491 610014.8680 206661.5724 389082.7168 709328.8711 228652.2685 435028.2145 216931.6761 211452.5108 Cortisone Cortisone 12101.8684 31728.1969 86859.0047 45428.6867 46618.9593 27052.9846 51849.3734 51694.8740 12823.1243 11467.0651 15524.1227 12607.1406 79606.9921 48241.4229 41387.8703 17880.2050 11967.2086 14439.9785 28111.8065 4981.1064 3787.5085 11881.2199 3330.9611 17714.8943 46929.9587 11623.0899 23580.3509 7894.9045 14756.2839 18073.3534 Creatine Creatine 4949533.9300 27347813.3100 9135807.9260 5170428.4310 6081819.1770 6820882.6790 1802578.7040 3199605.6320 2370693.9830 4264390.1280 8337077.2220 7354522.4190 5557783.4700 9472877.0310 3797548.8490 4164057.0200 8731553.2710 4793775.3070 14019025.2700 3308569.3210 6541017.6610 3428972.0710 5919054.8840 7877674.7970 14298867.3300 7226877.7800 2870968.5730 17961757.5200 10749009.9700 5798392.4320 5675761.1800 7722043.6230 CTP CTP 4769.4447 3317.4844 5437.8710 3195.8168 4927.4521 3031.3681 1739.0499 2950.4167 2353.1417 5633.1024 1494.2875 2612.8288 2298.6320 3356.3055 6992.9403 5785.6393 3090.3178 1919.5383 4398.6807 3120.4920 2986.2989 1499.7766 4218.7646 6346.9931 1908.5943 2556.2561 1127.3191 1732.0007 18250.8285 1571.3092 37669.9086 16819.7812 Cytidine Cytidine 15257.7710 54548.2332 1991.5376 13871.7511 1312.1788 1179.1792 5139.6075 4207.4826 2303.1164 17444.9571 34173.0841 33262.7621 18212.6790 2442.5505 9358.6284 1371.6171 3196.3646 56100.8299 9616.3779 59808.7892 Cytosine Cytosine 86502.1405 216347.3922 124816.6196 163548.7344 109206.5912 85760.7563 48221.4567 85150.0292 56527.0506 99828.5982 80799.0233 111348.7331 99726.5132 174233.8591 91024.0729 48776.6242 235770.0384 128264.3864 27458.6531 82753.6160 103867.4609 37559.9182 143062.0350 210323.7536 93311.2424 185175.1279 68179.3362 144309.6193 156470.0121 165400.0103 377712.5403 63798.7815 Deoxycarnitine 3-Dehydroxycarnitine 218323.6071 765041.2553 207184.4457 293333.1600 131101.9580 325074.5813 110767.7703 125616.0348 92789.2454 206060.9456 195004.4057 149941.8518 116043.8861 295501.1999 127227.1542 142018.4965 397788.0517 94357.5665 337261.5322 97034.6321 236745.4086 97940.0944 304370.6454 225099.2619 431641.9561 216883.1270 140612.3407 548218.7165 215611.1777 308638.7402 149196.7312 285516.3451 Deoxycorticosterone Acetate Deoxycorticosterone acetate 53352.6070 83741.0041 96535.0439 87308.7307 188349.9007 105584.4491 113762.3788 140543.2441 300504.1308 145675.7884 928830.5051 944810.4651 998537.3205 94145.3941 50884.7905 91960.7024 1001735.3470 598557.2215 1015768.3110 74199.2361 970369.6923 48435.8635 1227215.8090 943990.2317 1072428.6780 1025018.1840 77638.6403 1094477.4840 945381.9104 1151085.8330 950211.9357 899873.6340 Desmosterol Desmosterol 14800.9747 24288.8551 41052.8431 11993.7253 42522.3758 461879.5558 514557.5936 461074.9511 6773.3399 23674.8902 19443.0929 474088.2305 379797.3232 560979.0840 297571.4607 707060.3460 627655.1049 445878.3702 520421.0853 482685.3431 489076.9492 543517.4442 427167.4929 372705.4143 Dihomo-Gamma-Linolenic Acid Dihomo-gamma-linolenic acid 94983.5090 55923.9530 67891.2538 78928.9630 123213.0700 90384.4141 118505.0470 78960.9432 83856.6527 101511.8931 4859275.3360 5828808.7130 3368990.8780 83337.6955 117772.0456 84981.7183 2866964.2510 1376732.8020 4249907.4160 84539.0253 1738968.4920 90434.3317 2800142.4550 3281230.9970 3650281.1360 6014807.4530 97763.7245 4819222.9160 6693247.3500 7057853.7070 7917351.9110 2956906.1580 Docosahexaenoic Acid Docosahexaenoic acid 139355.6639 72156.2639 94116.2397 76090.3355 129415.9689 64334.1105 109552.8106 65318.4278 58210.4227 62559.9089 4950713.6210 5953067.2550 3532414.3900 76473.7262 101081.2311 96090.0831 3650244.2270 1608827.8400 4176698.8810 85672.9154 1740849.6970 118399.1839 2715170.0270 3577189.5580 3723213.6310 5865367.4150 81915.6224 4663883.8210 6801457.3280 7025320.4940 8044118.1960 3177610.8690 Docosatrienoic Acid (22:3 N-3) Docosatrienoic acid 14364.5453 18270.0996 6976.8512 7954.5596 42841.9146 10133.4217 8318.7473 34080.0229 15638.8402 16701.0140 446858.4375 400650.9926 242080.9055 9654.3023 15709.0055 13870.1233 243992.9089 135016.0912 311026.9714 9658.0606 135274.4430 25456.3858 184126.4975 256673.1579 362338.6311 398185.3309 15706.4819 331701.5629 435017.0748 478280.3613 517464.7246 236945.5646 Eicosadienoic Acid (20:2 N-6) 11Z,14Z-Eicosadienoic acid 114984.1844 52807.5927 99440.5505 124148.0506 63945.3870 75390.5876 119020.2675 89764.4583 117769.6485 146275.2775 1152743.1910 1195519.7870 1060841.6430 108179.9888 130874.5699 45129.9529 940135.2240 756143.7673 1221910.9920 107773.1385 967769.1125 105717.8236 1289033.4000 1031632.5200 1061088.9670 1211632.1450 39553.7854 1260148.0400 1199068.5340 1187963.6560 1193677.4140 1075947.7540 Eicosapentaenoic Acid (20:5 N-3) EPA 53310.4677 56542.3023 386508.1478 264997.9653 438650.5944 165435.4349 1401903.1170 544829.0864 199976.1789 352724.9048 351172.2447 245127.0054 684048.6896 269732.7156 71327.1062 327602.8111 341053.3442 573155.7711 283255.2428 455007.8359 Eicosatrienoic Acid (20:3 N-3) Eicosatrienoic acid 139092.2335 76779.0776 89093.1642 111056.6777 140970.0468 119680.8520 149947.8783 102364.5517 112136.1869 137069.7997 5276582.2080 6243610.7180 3707769.2840 108486.7242 140997.2934 110033.0672 3297237.0820 1625576.6630 4497273.7450 112896.8319 1857859.7950 119594.6344 2961152.8890 3570685.9900 3992516.4700 5945315.7860 133973.8626 4762017.2850 6999711.7870 7436165.9890 8327210.5690 3402205.2400 Ergocalciferol (Vit D2) Vitamin D2 756481.4353 1701117.6680 772148.7246 254489.4737 257059.5937 33095693.4100 104710.4322 743621.8237 358541.5493 188012.0030 823749.0348 1908077.6210 1688546.7100 1000114.0480 1864195.5710 235318.6185 278586.9559 291323.5264 356870.3988 1012262.1390 1023365.3760 Flavin Adenine Dinucleotide (Fad) FAD 64244.1562 92673.4320 75443.0712 78939.8604 74575.8039 91182.5402 67815.7060 67984.6466 69849.0681 74660.0511 83099.4743 91052.7228 76774.1379 73181.1718 68995.6646 73168.4286 79206.8401 81185.2154 76722.7653 77251.6246 79873.9762 71702.8041 81150.6007 79511.8430 85829.4199 75381.3932 65405.3778 79405.7944 81401.6643 84518.7709 82052.8607 83883.0838 Folic Acid Folic acid 2227.4918 8392.6872 7523.6585 5003.5924 5363.2795 5857.9742 2990.7134 1812.7780 2840.7118 2260.7163 6955.0775 6615.2087 5907.4144 4441.2774 6129.0063 2930.9871 9789.1279 6928.2395 10006.2409 6245.3372 4808.5523 5064.5852 9950.4260 10057.7018 9529.9791 8656.9300 5658.6891 7414.1678 6038.6263 8112.2523 6401.7186 7487.0920 Gamma-Linolenic Acid gamma-Linolenic acid 289892.0373 220564.2520 214177.5343 572197.8114 130111.2137 112574.9388 3395269.0070 4487218.6690 2754494.7660 3195943.1420 1043731.1520 2526371.0790 1264363.4550 1915031.4250 2646741.9440 2935977.8050 3850848.0550 3135260.0680 5342008.8320 5676392.8340 5880414.7510 2255376.7160 GDP-Glucose GDP-glucose 51005.8575 46193.4969 53918.9801 54364.3658 45808.3138 63983.9443 64481.1866 91709.8952 73921.8324 50291.3877 43858.2644 56461.6257 39381.3415 40096.6807 28884.3701 43213.8256 37930.1670 55513.1784 37538.0364 42171.5393 61591.2337 38818.1986 39242.6013 38535.2993 35362.2271 33390.0126 34900.0407 23526.3423 42214.0597 41078.4656 35635.8467 52828.8522 Geranyl Pyrophosphate Geranyl diphosphate 62951691.6400 199476947.6000 132573089 149741673.6000 59277800.9600 207340193.6000 103060229.8000 331129564.3000 100254256.4000 142405455.8000 56735348.0900 63007809.7100 51341952.7400 102775029.1000 58044168.9700 103649630.8000 67413229.0900 129836785.9000 55538516.2000 91687901.6800 116752511.2000 45804009.7900 71780114.6600 54107718.7500 75352847.4500 42859100.4200 52028067.3200 46401164.3100 31881189.6800 40855487.8600 26858864.7100 89676953.3100 Glutamine Glutamine 13290571.8000 2060012.5430 1817510.5490 6298724.5480 8649606.7310 2960007.1970 790755.7327 1336780.5330 2166814.5450 2964606.4900 158644.8495 140231.2637 163308.0732 905461.4382 486835.9684 714346.8607 202885.1029 158253.2566 341606.1168 333993.9931 304361.8312 359340.4812 4221944.6130 1891396.0420 307249.4970 200984.7044 501382.3086 2463610.7840 197036.3549 233555.0965 220493.3427 131675.1268 GSH Glutathione 54707.4399 35647.1903 36248.1289 41732.0682 35813.4876 53898.7444 51740.5444 126432.5847 57357.7450 49518.1515 29423.6811 35438.3189 26086.5404 29218.6143 26781.5418 43786.5872 40160.9866 38760.6012 34176.2327 33499.2766 45731.7235 31736.4613 29529.3791 25595.9278 40383.1727 23302.9430 34297.7671 18309.9922 24585.0206 55313.9607 22648.3542 43555.8872 GSSG Oxidized glutathione 35185.8504 37558.7737 33802.8352 30258.8555 26344.6816 34265.8772 30362.9223 41303.9390 32795.2666 34057.7990 28364.6329 32802.5448 27083.5393 24600.3194 21788.5099 31718.5480 39693.7546 35481.9314 40537.8597 25250.2275 33651.4834 25103.8304 34921.7269 27867.5385 133407.1369 28633.1573 28289.6785 25882.9056 29172.9607 33487.0949 23557.0309 38629.8662 Guanidinoacetic Acid Guanidoacetic acid 945634.3756 2096355.7530 1163264.6040 1001124.2280 574119.5713 941838.7258 353005.9562 557993.6127 495427.8285 1118216.4840 512318.8921 584492.3398 522141.0222 1162961.6030 603287.2024 1099494.4180 886518.0287 431628.3270 1078583.2620 544128.9307 677318.9917 591326.3709 887973.3004 968927.0294 1171066.7040 638027.5600 390522.4922 1272714.9510 606645.7367 867073.6067 581771.4201 424540.1987 Guanine Guanine 15085.1747 50248.9694 48970.2652 38359.1583 34716.0812 40952.6132 11920.8647 20926.4196 13051.1866 33216.0102 16304.6936 23071.6758 14005.5038 17576.7808 2412.7607 14842.7510 64583.8190 24179.3306 48770.3708 8212.4918 19853.5500 2904.7305 32790.5809 32022.9533 58480.9445 24242.2821 6267.7134 50693.3219 62324.4140 46522.8199 42498.9101 28023.3004 Hexanoylcarnitine CAR 6:0 245701.4224 1421522.9420 1136571.5720 1305693.6070 394676.9225 369788.3663 377311.2163 391378.7405 144967.8287 566853.8636 375262.7102 491268.8914 196948.1173 356997.9483 273072.7251 255614.7372 330639.6967 396003.9779 606790.6487 188893.5104 231946.0862 126469.6382 513326.6403 557546.9387 757519.4867 692370.5250 242647.0340 301658.8807 864236.4675 585294.7830 1029503.6200 213862.6077 Hippuric Acid Hippuric acid 25955.4577 158396.5086 221507.8204 6555.1243 50164.1920 2850.7887 108124.7188 15243.1221 42078.6725 6609.6062 10133.8658 12840.1331 21599.3242 8051.2269 6726.3865 37656.6926 37758.9854 3534.4523 12510.9784 1805.5555 4550.6267 8077.4058 33430.3214 15327.1820 21365.2005 10328.9328 12654.7006 22073.3324 30627.8011 10137.9362 Histidine Histidine 234126.9573 592739.7932 231113.2894 294376.0513 177415.1338 220660.2272 49614.8361 143305.5495 92801.3450 218119.5116 137319.3618 130349.5757 75999.4594 195960.6468 49240.0387 178972.9390 274175.1448 34593.7559 347355.8710 48434.5672 89777.2659 66028.9330 189937.0208 121254.5149 304088.2060 210103.1062 72008.8347 395219.1264 202456.0878 154584.6065 114793.8642 180139.6845 Hydrocinnamic Acid Hydrocinnamic acid 10285.6122 29238.9275 37122.0369 29711.9702 13968.5665 34060.2455 18171.8454 39369.2912 13552.7361 25896.7850 370128.5533 408738.6408 313633.2218 45133.6259 27707.3348 26048.4958 227896.0642 162654.6044 324111.8517 19951.8867 175301.1145 9902.7829 225920.9738 298512.5867 244636.0950 355559.2464 17675.4369 318641.7639 476039.7349 431400.6545 490924.4124 270222.0489 Hydroxycotinine trans-3-Hydroxycotinine 34058.0261 216786.3542 26084.1142 23589.1038 12136.0588 21034.3293 12068.8619 2054767.9450 41461.4750 24298.0203 57770.9965 509199.6649 98116.6535 18192.2299 62136.8754 9607.4971 94282.0848 77864.5680 93199.4296 27520.0223 46225.3437 19124.4984 3157561.9970 76600.4939 52578.4664 59189.0315 515337.7592 321871.7263 2777947.0790 1623642.1450 77154.0668 40870.8064 Hypoxanthine Hypoxanthine 115705.7124 11350.8094 14539.0204 62451.9150 158296.5938 130347.4704 1107.4246 14530.0923 53990.9654 5314.4599 35039.8229 158146.7091 14012.6880 129186.1366 20458.0344 136910.6897 183760.0822 12010.5568 177753.8108 9387.9527 107627.9345 141032.9321 84073.2620 384624.9794 238858.5657 101685.3315 156162.9969 1686.8868 156730.9817 471571.1703 Lanosterol Lanosterol 402394.6521 734891.7262 406956.3171 306394.8041 1280917.6300 564977.2896 397256.8398 789671.4249 376477.5696 224702.9509 1385402.8980 1432880.8860 1335296.0250 448536.0655 331065.5159 90702.4250 1121187.8430 713520.7478 1255359.4870 503478.5826 1403100.1070 629063.9470 1938039.9180 1099220.8190 1925311.9160 1612754.7420 139626.7804 1747999.4510 1383320.9350 1822256.8490 1494362.2890 1088660.7670 Lyso-PAF C16 LPC O-16:0 3170897.7860 2280947.6250 2582377.6130 3449239.6190 2160331.7680 2830540.8030 2197513.1200 2792812.9730 1979838.2100 3325557.1580 1689284.7100 1708173.7880 1660554.2630 2870721.6350 2278473.6900 1979400.0610 2222698.4190 2075293.6160 1697815.5200 2052079.9310 2049121.0760 1121283.0930 1912336.6170 2073361.1780 2597112.2090 2471004.3940 2342645.5690 1469926.6040 2080602.2410 1897015.2330 2794139.5510 1509903.8210 LysoPE(18:2) LPE 18:2 261349.1296 437763.0774 320591.7394 286985.7413 313533.3570 250522.4226 297849.4610 173070.3246 296877.5217 206571.5379 164141.4062 173052.7037 193283.8331 105743.1160 168340.9672 274652.5682 173316.8857 244652.5801 138416.0397 161779.6295 105137.7200 193547.4655 187317.6029 275754.5975 214512.1175 105389.4905 247164.1785 243190.6980 116000.2416 170537.7985 186953.6264 Mead Acid (20:3 N-9) ETrE(5Z,8Z,11Z) 91948.7034 53812.6531 66267.6083 72257.2390 120859.3765 86935.6972 112724.3908 75598.0178 81339.6491 98355.9306 4845930.9190 5835601.7200 3363433.8560 75959.8467 113877.7850 81248.4800 2744310.6880 1368014.6320 4255997.0630 79325.2860 1740162.0290 88157.6864 2802774.1020 3290373.7010 3633275.0120 5977809.3190 93167.5288 4788694.5310 6660418.0190 7021283.0570 7884950.6040 2941313.2990 Mead Ethanolamide Mead acid-EA 216040.2868 282228.6041 148649.5953 85567.3284 898972.2713 316061.4494 210686.9103 437789.9531 192601.5107 48316.4006 176853.9412 165813.3739 134602.3591 154637.0153 142865.2320 93053.3728 148295.8333 64592.0767 272787.1045 175108.5800 600287.1208 265987.1188 138823.4672 284756.0666 115669.7105 42958.9939 130626.5120 91159.7448 123941.4668 123811.6624 103498.1907 Methanandamide 40332.9277 20465.7933 10774.9794 20502.7543 20618.4108 27511.7752 66675.5008 101569.6155 521094.5267 455609.1600 1049860.4020 27881.1685 46412.0547 51006.2269 367998.7466 643893.6087 494077.8156 56161.1176 915545.4312 49608.0944 809913.3863 581722.4894 614488.4372 578606.4626 737701.3940 397808.3722 343802.9074 255388.1436 487437.1848 Methionine Methionine 621474.2022 1518143.5150 1248834.7030 1182027.5260 979865.6720 1160816.5070 458025.3516 589945.8452 438448.4889 888946.4944 446146.6608 633291.2965 429111.6055 627944.9794 335048.1213 503310.8499 1522060.6650 713860.4085 1235091.7880 337112.4696 583313.9444 233939.9814 1052753.9830 935416.6352 1548864.2310 845913.8273 358315.3906 1398880.4570 1517364.5120 1196719.4710 1054091.7880 701569.0860 Methoprene Acid 12314.6552 112070.7585 24416.2600 78180.4573 233696.9562 118256.5237 26676.1178 59554.4513 527632.3405 47201.9777 142988.3569 64436.3832 380986.0777 135911.6769 131713.0284 146609.0561 189361.4601 202653.5878 124787.3698 273251.6086 65980.6689 Misoprostol 25270.1080 40414.0522 53482.3583 43278.5874 49525.5456 26819.4206 26518.6249 66129.8636 193856.9751 296227.4438 131470.9278 88208.8358 981580.8313 127831.9325 95282.6129 147052.9153 188880.1674 122440.3937 196156.8619 234659.6747 484640.1396 241286.9704 312669.9234 Myristic Acid Myristic acid 16475.8325 60698.6166 32129.8855 75560.4275 40660.3457 54363.2146 531781.8066 580133.6811 482787.7621 29824.8467 44135.5045 470692.7719 300525.6930 543882.7472 404606.5368 71216.1949 533730.7870 491854.2262 506473.9122 629846.1844 654234.2727 685905.9618 731581.6870 732590.1136 434724.1597 N1-Methy2-Pyridone-5-Carboxamide(2-PY) 1615934.4950 1988231.0700 1309420.6950 3944799.8750 1886868.4400 835774.6959 1455109.2170 1764306.3930 1512718.3390 1559338.0600 887481.5167 771080.4594 660566.9024 3692484.9090 2239348.7350 1364763.4080 1243232.7410 1520018.9000 1156478.6620 1451641.1430 809565.5953 825909.5461 379069.9440 546415.4464 1849784.1640 1910254.7400 2060881.7970 916837.9150 1786354.2110 426017.9999 2775629.6770 885433.6275 N-Acetylaspartic Acid N-Acetylaspartic acid 1748150.8380 1017873.7720 1667253.4470 1602758.7000 1749248.7570 1851830.5650 1855271.5450 1783931.2000 2018494.3850 1722717.3700 1315904.9000 1070333.8850 1654567.7620 1558512.8940 1643798.4510 1789676.2280 1012847.7270 1399840.9650 1084943.4960 1876857.4890 1707948.5400 2070926.0380 1097005.9090 1450258.5910 863692.2613 1119710.8810 1724402.0650 1199790.5060 1109826.5030 952734.0595 1104744.6880 1160382.5290 N-Acetylserotonin N-Acetylserotonin 92743.9666 62718.2465 111068.6744 107100.7475 73344.2689 56983.1656 76425.7961 78136.1209 106989.4362 77388.8997 32224.8863 29159.8561 20889.1676 113960.3791 114162.7829 74840.4716 22429.6488 32712.9068 22871.0145 60579.6943 26482.3484 53107.1519 39018.0950 28385.1213 39253.8587 46247.1350 151830.2073 24063.6338 33627.0908 30352.3685 51281.4386 23891.2701 Nervonic Acid Nervonic acid 4347.0192 21867.4911 7580.1056 6214.9632 1258.3205 3246.0543 5456.7854 6174.0162 5214.8734 2901.2315 54876.9177 47530.7318 48397.4155 5189.9984 7003.7034 2249.1288 44881.1056 26352.5475 55549.2765 5320.9752 33407.8233 1361.6574 56054.3781 34750.7005 47228.5433 58937.3528 6540.9078 62669.9567 100800.3221 88968.4731 104749.0473 69147.1882 Nicotinamide Niacinamide 127690.8763 10638.6765 192479.8570 148901.6019 179413.5233 91672.8701 190250.3413 70686.8896 159119.4872 165934.6540 10236.2107 10585.3908 11020.0095 191203.6037 198458.5295 146108.7732 16179.3379 203861.1210 5275.4344 99289.8017 14462.6866 244491.7296 10723.3943 17859.1349 28158.5209 Nicotinamide Mononucleotide Nicotinamide ribotide 218055.3824 42530.7043 37300.8003 553.8302 15310.0725 14982.3118 20805.4019 45529.7363 77406.5756 26653.2727 25156.1701 708.8563 9183.4438 159002.0630 45402.8001 115456.0722 32180.6493 137599.1112 75072.9639 263987.1520 124481.9383 129143.0691 103436.9026 164937.0139 99128.6085 61123.5862 Nicotinamide N-Oxide Nicotinamide N-oxide 341069.0042 8244534.8230 548287.4948 194859.0020 171444.1362 719937.4077 183043.0387 205830.3382 169905.4168 200794.8659 143760.1953 124061.7644 261631.3786 347662.1399 417385.1645 322597.0646 266326.9415 267083.8930 1052568.7030 165236.0696 249820.1761 320076.7167 524658.4769 234737.4135 317598.1573 221838.7014 133658.1671 301934.8468 428681.0821 181464.1979 713767.4530 657940.6591 Noladin 1626.7407 5188.1483 4716.0996 1585.2816 8667.9597 1686.9922 5739.5022 2253.1586 1369672.4990 1264022.8530 1047307.5860 1619.3363 7748.4534 12661.6029 666807.6122 565484.6172 916482.7854 4811.8343 482074.5228 1807.3501 609614.4592 1006153.5160 838593.7205 1344650.9220 1128845.4950 1445891.7620 1235123.7720 1717520.4670 782666.5605 Nonanoic Acid Pelargonic acid 57679.9693 76338.2408 88908.1593 54899.1871 82599.7562 43062.8970 77477.1609 61379.2731 49291.6821 58652.1285 83248.4517 49966.6050 74796.9046 108641.1958 131452.9219 108814.9783 72871.6956 55081.5702 89778.9100 64219.6259 80697.5062 73327.4523 105038.0272 44355.9257 110910.1357 90147.2338 88369.3114 73867.3655 70773.8828 34280.1015 114468.1438 24921.4513 Normetanephrine Normetanephrine 451653.0707 63337.5188 419531.5144 643575.5593 829692.5127 145274.7797 281980.4363 337555.4242 314774.4043 409031.6795 192408.3980 100392.5366 89410.3141 659738.1821 756135.8468 132185.6784 114709.0841 100581.0574 142164.7182 377874.0334 356085.3841 336647.2500 120908.0915 440510.8967 36785.3244 105630.6899 378846.7542 223922.0248 149255.0841 77088.8986 396171.7909 49530.9095 Octanoylcarnitine CAR 8:0 579518.3842 1350641.6190 1168145.6860 1500156.3230 1425387.4140 576719.4501 489603.9547 518637.8109 391134.0508 737640.1881 567888.7948 717533.8275 287964.0611 844612.8004 970808.6831 692019.6699 759379.0311 619194.7071 831855.6826 455176.4057 443519.6791 269220.0839 946601.7458 963892.2464 1088207.7060 1339158.8490 860788.0218 542578.3158 1726003.2930 1313022.4840 2835254.8820 287976.3975 Oleamide Oleamide 3545538.2130 300380.5480 1386364.3530 314468.8135 2834072.4190 2419331.2090 3976865.8650 6370249.3050 908264.4742 5653551.1270 137035880.6000 138211147.3000 117799301.2000 2399530.2220 994219.2928 106224046.2000 120273765.1000 142624470.3000 1698774.2350 128821720.4000 979543.4949 135220184.6000 143889935.9000 150255846.6000 150874084.9000 1178068.1470 145074334.4000 129321485.6000 160291200.8000 136255389.8000 120224826.2000 Oleoyl Ethanolamide Oleoyl-EA 216841.9445 320123.4967 203647.9535 81792.7613 1040083.7120 263221.6079 180462.7869 357824.2704 208914.7705 51143.3140 202311.2021 251033.8635 190127.8077 168631.2073 223974.7786 62904.7169 183138.4575 185353.0965 233960.3875 234640.2680 232913.2485 502468.2900 398759.2944 216853.8630 385891.6300 274747.6798 77095.2225 250077.9792 295461.4952 298714.4057 387091.9996 189268.3648 Ornithine Ornithine 12881290.0600 12273431.7300 13520719.2500 13761796.0900 14189384.2900 16588146.4600 17969207.8200 15368980.6300 18352133.9100 14160681.8900 14517910.4700 13866480.5600 16364285.5100 13686061 13415135.2400 14697949.2800 12386728.8600 15675642.8300 12051389.7600 17444613.0700 15157364.4400 17856786.5500 12595918.2400 12633058.6900 12023252.8100 12818905.6700 14229947.3600 12065787.9100 12215892.7400 12527696.6200 12002218.5400 14762169.4000 Palmitic Acid Palmitic acid 91967.5233 496225.3172 196334.4593 230445.4300 191525.9953 648085.8719 171975.2441 316734.3229 105362.6834 195274.7811 6049437.1160 6593399.2020 5556803.1890 217171.4857 105820.8781 4433016.6850 3646178.2680 5549547.2750 115532.7217 5182054.7120 126249.2575 5948644.3570 5409631.5000 6312990.2170 7100231.0520 109944.8493 7042388.6760 7636931.4000 8071772.8510 7898266.5960 5109122.4970 Palmitoleic Acid Palmitoleic acid 3712457.2900 17096183.9800 8284948.9890 7835692.9550 4013882.2500 7899762.2250 4118729.5900 7947225.2640 3568234.3900 7530871.9980 8888696.1580 10050869.5100 6744869.8560 7211731.0510 4664774.4240 6286082.7450 10891613.7900 10102215.0300 10011732.4000 5147648.5050 8524181.8050 2593081.1650 11742374.1300 8873442.4380 13467085.4400 9595324.8280 3604288.2080 9648458.8510 8150586.1020 10078608.9100 7959370.5130 10176491.1000 Palmitoyl Dopamine 57912.7445 249962.3157 171371.0457 217028.9819 89029.1592 87876.1362 80395.1276 98476.8696 65361.4697 140306.8137 43617.0773 64020.2813 110231.5476 130233.4770 88018.6840 75788.7001 86954.7818 59864.4410 71286.4186 72966.1018 78146.8684 66499.7675 58681.7689 63187.4397 Palmitoyl Ethanolamide Palmitoyl-EA 21763.1817 45033.4843 21693.8095 16468.0714 144212.1454 58667.8108 31639.6706 20506.4961 27462.6372 30160.4132 1059460.8660 1218714.8090 1015638.8970 29382.8494 86983.0446 25505.6286 957187.9590 676909.7392 1165705.8890 41316.0597 908910.7042 59579.3394 1044904.6490 1032324.8570 1236370.5460 1240032.7980 19371.4554 1177300.6150 1150192.4810 1390747.7600 1179124.7960 972334.2577 PC(34:2) PC 34:2 602900.8382 404117.9743 721090.0292 831730.8673 2979389.1620 1147950.4710 752003.6800 1074671.5090 559701.8718 393800.9588 176175.8830 168046.7083 74277.3713 697607.5947 326074.6952 387550.4840 442470.2295 177857.3843 144369.4993 321330.1989 20562.1415 147455.4893 124923.9598 304738.0956 494462.6462 394627.4828 1019698.6030 106562.2277 404335.6723 277261.9151 291407.4006 159476.8580 Phenylacetic Acid Phenylacetic acid 682096.7295 682096.7295 682096.7295 682096.7295 682096.7295 682096.7295 682096.7295 682096.7295 682096.7295 682096.7295 59724.5951 28839.4312 35950.5860 42088.0783 23749.8657 39034.6627 16897.4716 27996.6541 22665.2103 32054.5989 53717.9739 51130.2778 114978.2635 62097.1062 119113.4669 44914.9027 Phenylalanine Phenylalanine 5227207.5010 11120093.4500 11399076.7600 11008708.5600 7103481.0800 6865767.2270 4017584.4630 6563204.2720 3095123.8360 8871246.3930 6321005.0460 8002533.7820 6235209.1170 6264866.4780 4794223.8200 4039436.3630 12198757.8700 8150764.6560 10190399.9000 3303379.2120 5478556.9000 2046258.0290 8784659.7560 7629256.7180 11839091.1000 14687776.4500 4122894.3120 10160341.4300 17452764.2200 8573520.3770 18236704.6600 6202670.2800 Phylloquinone? Phylloquinone 183395.9902 315821.1244 143477.0827 98655.9749 164330.5633 242181.4905 87106.9533 64903.8620 91672.6652 192246.9207 765971.0353 1079417.4900 399030.1448 92650.0958 104013.4694 62441.8052 642899.9766 890526.0283 476249.1780 133471.0853 526314.5569 80598.5358 711359.1871 883850.4072 525915.3770 730588.1522 215398.0604 582140.2890 787011.8844 789897.6580 714298.7508 574147.5557 Proline Betaine Proline betaine 27125376.5000 1266082.4370 9438673.1450 9935393.5730 14915066 384290.4908 1520828.5560 3372676.6130 808002.7761 17533469.1100 16628336.9200 1357991.7150 4026899.0700 12313609.1700 6381590.4380 13924483.6800 4751616.0040 19558351.9000 1596243.1290 3989663.7960 6308444.2740 1550306.8610 433640.3177 82273984.0400 19055094.5800 1305111.5470 188593.8198 47500550.6800 11371062.5000 70659243.8900 40033361.3500 32039167.9000 Propionylcarnitine CAR 3:0 871926.1049 6406426.0290 2419507.6420 2125875.3950 911030.9175 1510181.2700 706452.1793 827070.5571 536059.9542 1937057.4490 1931636.2930 1631718.6360 860878.8299 704371.5856 742282.0269 897191.5774 2207835.7100 1153717.3890 3796618.3600 516231.7689 1059139.7880 575770.1102 3528407.7250 1560886.7280 2133249.3710 2862723.8860 566883.7730 3870556.4720 3231866.3460 2801516.9830 5036795.4660 1330569.5490 Pyridoxine Pyridoxine 120831.9884 262021.1568 239188.2786 290341.1917 108821.0470 145817.0119 58498.3843 112943.8840 91671.0963 174298.9429 93829.9477 151336.3401 86318.3431 100510.7334 134652.3026 42895.2545 122334.7356 107069.9708 164430.0442 49709.4345 69004.9477 47925.3227 263133.8196 283325.4788 41498.3114 242970.6388 92149.6856 148727.4876 266501.1741 119762.1593 258522.9965 128406.0528 Retinoic Acid Retinoic acid 15229.8882 15229.8882 15229.8882 15229.8882 15229.8882 15229.8882 15229.8882 15229.8882 15229.8882 15229.8882 208523.4856 264832.9961 54756.5731 135715.0344 250187.3339 2273094.2500 177203.0481 217301.3745 36014.3943 43797.4613 119035.8039 167028.4930 249740.1503 108951.3728 325810.1107 285523.3903 335378.9323 162473.3222 281651.7245 176746.1208 Retinyl Palmitate All-trans-retinyl palmitate 40510.0195 79338.2513 20178.2033 19086.2113 26721.7395 44579.9615 32741.7800 55586.8302 21205.9725 40364.4865 515556.6597 579018.9234 600201.4879 32345.5874 21708.7031 22988.0016 536823.9219 288574.4098 464552.1249 40527.0423 510380.9217 40485.7414 539380.1851 437421.6050 424945.6644 422429.9820 46910.8826 499479.2511 497621.2717 600212.2571 509530.3701 385610.5907 Riboflavin/Vit B2 Riboflavin 6234.7521 22969.5901 38216.4558 663.9510 6801.9884 17669.7825 2929.8870 2455.1343 4292.2334 197203.7703 2410.4777 16437.8018 Ribothymidine Ribothymidine 103465.9266 94281.4007 30851.3482 58541.6808 20710.7358 106407.0166 14857.2367 22733.5300 24277.4426 46856.5117 19826.2137 8219.1858 8745.4063 62844.8870 16926.5202 49372.7274 39864.2872 36429.9060 11501.4134 37918.8420 30764.1252 9273.2938 126139.1690 40613.8641 26491.0621 53259.0161 12954.0322 29291.9312 7135.4974 43829.1690 Salsolinol Salsolinol 158526.1011 180434.9873 169675.7046 158519.0936 159702.5735 168223.9430 151813.0851 148915.2433 140925.0534 153272.5539 166176.5742 161117.9853 159118.3726 159971.1260 161196.8253 150951.1688 177146.3930 175683.6029 171513.2743 158029.9699 150841.8877 145456.5979 173600.8296 173660.2852 191189.5316 179467.6719 152023.1562 175126.7316 174709.5163 173666.7311 167600.0584 167249.8980 Sedoheptulose 7-Phosphate Sedoheptulose 7-phosphate 63175.2747 48178.3532 38996.2443 43265.3332 55545.0108 70576.8953 54146.5602 104925.5492 60139.5550 27463.4454 56374.6790 50674.2826 49598.8291 38279.6007 50060.7223 53179.3787 38331.5087 53950.3818 41744.9782 61125.0257 50327.7040 61534.4580 39066.5707 54274.4486 52163.6547 37277.8884 60527.8919 28740.6721 40780.4730 46088.2141 34540.2598 42126.9761 Serine Serine 105487.4998 70078.8403 91999.3111 85518.0426 104779.0023 152406.2766 27945.3908 81121.2538 66873.4849 74389.6124 33292.7073 54819.8812 42360.9399 105388.2463 63973.0135 308776.7340 56966.9869 14434.9567 108837.0963 25571.2154 25390.6117 46340.5801 18815.5746 22319.2186 106899.4408 40481.6084 37524.5817 51029.6927 29382.9986 17524.3835 66719.8002 38559.7468 Spermidine Spermidine 383308.9307 369407.4479 357803.4600 325875.2193 350665.5311 397064.6836 373136.0360 372580.8411 375506.1386 371905.7864 385926.4229 363881.8694 380015.3679 347060.6213 353124.1368 364020.6133 362211.2762 389199.3295 370294.3594 388227.9622 388383.6103 375248.9305 377445.6882 369602.0968 351082.6228 366835.1782 351229.0073 373610.2513 334400.5539 352924.5827 321910.3747 390723.3942 Squalene Squalene 400018.9451 672862.8176 377447.6858 252199.5661 1450128.1030 541455.8285 408228.1482 806673.5028 408068.2456 225871.6060 560006.8381 710023.3631 571604.7073 386499.8689 290232.6059 93759.3827 476785.8742 377306.0936 628984.4102 518333.2663 579535.6617 773602.0856 843179.8192 550625.5964 846123.0539 804507.7533 170339.1743 696857.1948 645375.2513 792899.7037 648922.6430 628175.4243 Stachyose Hydrate Stachyose 154594.7829 143623.1357 146466.1718 139517.2227 128676.1178 188855.7982 154642.8123 109322.2816 132208.1083 151733.0412 152130.1458 166620.9347 167825.0677 156306.0965 145555.9871 161570.1994 164542.1184 165988.9810 161335.8824 170051.6342 131127.1035 148112.5601 174893.6138 162472.5889 175712.7470 173352.0941 144720.9579 158412.0208 166984.6687 178720.6751 162954.6379 157372.8062 Stearidonic Acid Stearidonic acid 16257.7378 46642.4772 201187.1069 50883.4029 11471.3918 25701.8647 2031095.5430 2260039.3710 1965905.7260 10687517.6700 1251485.4750 2207530.6280 30393.0211 1849313.4270 19192.8001 2389659.4510 1843067.8810 2254055.8720 2201147.9360 2231875.1980 2522309.1000 2630640.3860 2497268.3440 1817910.3280 Theobromine Theobromine 117909.6475 423314.4944 174175.4796 2009043.6250 416129.0126 535224.0565 51074.1240 746441.4661 616666.0538 94259.6418 40078.5358 42698.6568 32007.4313 219230.2863 220381.8033 335195.9558 3669.1224 182723.9414 13458.4395 247862.8518 171162.1099 9913.2863 110972.4863 96084.5495 162907.3887 173128.2139 517715.4368 35102.0483 63497.3041 76010.4492 1547.7103 727.1071 Threonine Threonine 2110942.8840 1929173.7520 2023618.3390 2152649.1960 2641963.1240 2397123.1980 542234.0956 1173489.6390 1157145.8630 2143933.2000 1458937.7590 930601.9964 592846.6313 2270564.3080 641377.9446 1770846.8470 1419261.2760 293300.7528 1957986.3270 772179.4614 810868.7068 767528.9532 827751.0786 725449.6781 2004082.6950 915542.8051 984954.4884 2002155.6130 866152.1528 535834.2521 1785198.5290 856784.4969 Trigonelline/N-Methylnicotinate 147478.5488 308069.6986 228739.8948 1107778.7580 280863.0935 31445.7691 108511.1499 112537.9129 164686.3558 194011.2055 149590.9153 522406.9721 151678.9354 190728.1708 52455.2287 196331.2387 260680.4446 198763.4055 181134.9955 101293.1296 139095.3183 60901.2754 964730.7485 167513.1219 797210.8857 102028.4064 290727.3703 285704.9404 790054.4781 197891.9666 313840.6127 450391.7283 Trimyristin TG 14:0/14:0/14:0 20849.9580 39900.8383 9803.7008 150902.2670 36659.9800 29413.4297 100032.7019 21700.6919 430622.6441 454753.7494 392965.3005 13730.7604 12635.9360 364885.1861 248157.2969 498726.0634 44283.4030 329602.8301 114020.8929 501701.3866 361475.3779 643523.4004 585844.3779 488713.3779 476710.3312 553976.0790 462680.9008 443963.6916 Tryptophan Tryptophan 893455.6429 1298581.6550 2223448.2080 1482215.7060 1348977.6920 959296.7069 761575.6350 942824.4004 364110.1790 1666527.6150 767782.3503 1160011.2490 840260.7448 1074164.4380 768066.5295 373919.2092 1647539.6220 1083957.9170 785325.4081 560592.4846 671480.1017 266116.0341 953063.0055 541190.9785 1357794.2690 2504148.9190 739926.4831 1301344.9680 2454811.8830 681319.9102 2911651.4000 382683.5995 Tyrosine Tyrosine 924087.1606 3045231.0350 2064250.3190 2015930.9880 1267200.9930 1575409.7090 571741.0826 954791.3370 597791.7791 1569941.9770 1135406.6300 1452818.2250 1036531.2370 1018085.5870 681858.9535 773676.2494 2081650.3290 1203412.3350 1832837.3300 573988.9861 1411213.3940 334562.2119 1506935.6750 1582074.6770 2945511.2580 2093776.1760 495012.5188 2435691.9390 2602263.4680 1406859.5700 2811918.5150 1011080.9630 UDP-Glucose UDP-glucose 13755.6841 13883.9064 13030.7656 14436.5046 15538.0928 15739.2242 14379.7636 8709.0310 14866.3002 12233.5789 20727.4071 15895.5879 16903.8473 15632.7247 15499.8842 12065.8208 12229.0593 17322.5619 16737.0701 19135.4803 17456.3397 18098.7198 14610.5956 16056.7650 16389.0620 17865.8812 16488.4529 18368.3285 16422.2338 15514.9528 14713.7594 17896.8641 UDP-N-acetygalactosamine 93177.0714 98896.0938 108375.6826 92029.9313 90544.5565 102083.5124 99215.4516 97518.2176 93585.9061 91855.0627 102366.2885 89795.0852 97181.5233 94770.9209 89366.9225 89326.7109 85243.6973 104327.8770 82724.4754 105834.1743 98822.6662 103679.0097 86201.3639 92197.5943 80421.8080 87794.4095 82869.3348 86319.5639 87656.0257 85998.9132 84967.6811 96783.9241 Uracil Uracil 369184.2082 27466.4166 40896.4547 47942.5557 40323.1676 65583.0346 90388.7603 34461.4521 33807.9126 83886.0305 119956.8420 40452.0037 77176.4016 95879.6739 82074.3923 287540.6129 117975.0427 81126.2458 70897.3292 54449.8784 94138.4032 42325.3135 Urea Urea 2603158.5590 3359346.5460 3776867.4000 4816892.0370 5160610.7030 3909546.1590 4566793.5370 4244173.4180 3961440.5080 3636284.3200 2755579.4790 1553480.2430 2600996.7520 4089564.1140 3146453.5240 2145248.8250 1918045.7340 4149425.3660 1548303.9470 4967340.8810 2975109.1610 2473035.0020 1326971.7350 1719033.8540 1887031.3860 2247191.0260 4689273.6950 1457310.5130 2600603.6410 452256.5697 3868730.4470 1802274.4520 Urocanic Acid Urocanic acid 174853.3319 49082823.3000 496115.6888 270799.5092 200627.4359 495759.3457 114463.7980 159767.2167 196354.2428 610918.1435 420649.9013 336838.4455 267690.0472 948274.2085 752807.2986 580243.2420 448365.9119 468772.2145 2143835.5370 227151.5787 595055.4260 761428.7125 2695156.5090 836740.3761 2311715.6750 801284.5745 100553.9880 3224047.8080 1390650.6750 1355845.2720 509003.5248 984234.5686 Valeric Acid Valeric acid 1068.5951 4112.2062 1291.5497 7819.5591 3332.2886 1149.4921 1477.8731 151103.5370 178675.8756 133811.6532 4506.7480 10083.0979 121775.3603 68570.5931 146739.1461 1177.9083 92834.2091 2033.4879 127434.4489 128172.8614 116981.6717 173693.8269 2322.3517 161527.8251 209546.7962 212760.1789 231939.2020 117445.9547 Valerylcarnitine CAR 5:0 644709.5144 4442645.2830 5324684.3080 2032501.4390 1239618.5150 933700.2222 541008.0604 809019.9074 466929.1786 1478680.1170 1615577.2100 1770693.0640 711794.2290 1050909.0460 1945937.7850 769521.4867 1542392.0100 1394890.6360 2607803.2180 593325.7703 1222580.1200 677191.8747 2035551.3300 1516675.0560 1975360.0220 3662856.2270 700994.6203 2529587.4360 4134025.5880 1690789.5210 5613816.1440 1156819.0750 Valine Valine 3360731.8830 6705236.4580 6113400.2070 4593873.9730 4066397.0590 3672310.0760 2979540.0350 3790628.3540 2172287.4490 3813435.6900 2450719.2610 2536801.3230 2353735.9970 2772848.2890 1817743.1940 2318685.6620 4445781.0990 2378892.9720 3372403.7500 1854608.8320 2178447.2020 1522536.2020 2553289.5060 2699403.2640 4428989.8670 3522399.8900 1658020.8490 3906922.7540 3850619.9210 2055152.9170 2865694.0580 2526151.0430