Metabolite_name RefMet_name 20220111_Cowley3_OM_1_30-413_C18neg 20220111_Cowley3_OM_1_30-413_C18neg_rep 20220111_Cowley3_OM_13_24-402_C18neg 20220111_Cowley3_OM_13_24-402_C18neg_rep 20220111_Cowley3_OM_6_22-391_C18neg 20220111_Cowley3_OM_6_22-391_C18neg_rep 20220111_Cowley3_OM_8_28-406_C18neg 20220111_Cowley3_OM_8_28-406_C18neg_rep 20220111_Cowley3_OM_9_26-405_C18neg 20220111_Cowley3_OM_9_26-405_C18neg_rep 20220111_Cowley3_OM_11_14-421_C18neg 20220111_Cowley3_OM_11_14-421_C18neg_rep 20220111_Cowley3_OM_1_18-434_C18neg 20220111_Cowley3_OM_1_18-434_C18neg_rep 20220111_Cowley3_OM_14_12-417_C18neg 20220111_Cowley3_OM_14_12-417_C18neg_rep 20220111_Cowley3_OM_4_20-463_C18neg 20220111_Cowley3_OM_4_20-463_C18neg_rep 20220111_Cowley3_OM_7_16-429_C18neg 20220111_Cowley3_OM_7_16-429_C18neg_rep 20220111_Cowley3_OM_10_2-466_C18neg 20220111_Cowley3_OM_10_2-466_C18neg_rep 20220111_Cowley3_OM_12_4-467_C18neg 20220111_Cowley3_OM_12_4-467_C18neg_rep 20220111_Cowley3_OM_15_8-469_C18neg 20220111_Cowley3_OM_15_8-469_C18neg_rep 20220111_Cowley3_OM_2_6-468_C18neg 20220111_Cowley3_OM_2_6-468_C18neg_rep 20220111_Cowley3_OM_5_10-470_C18neg 20220111_Cowley3_OM_5_10-470_C18neg_rep 20220111_Cowley3_Blank_C18neg_1 20220111_Cowley3_Blank_C18neg_2 20220111_Cowley3_Blank_C18neg_3 20220111_Cowley3_Blank_C18neg_4 20220111_Cowley3_OM_QC-Pool_C18neg_10uL_1 20220111_Cowley3_OM_QC-Pool_C18neg_10uL_2 20220111_Cowley3_OM_QC-Pool_C18neg_10uL_3 20220111_Cowley3_OM_QC-Pool_C18neg_10uL_4
Factors - Treatment:HS14 | Source:OM | CF:OM Treatment:HS14 | Source:OM | CF:OM Treatment:HS14 | Source:OM | CF:OM Treatment:HS14 | Source:OM | CF:OM Treatment:HS14 | Source:OM | CF:OM Treatment:HS14 | Source:OM | CF:OM Treatment:HS14 | Source:OM | CF:OM Treatment:HS14 | Source:OM | CF:OM Treatment:HS14 | Source:OM | CF:OM Treatment:HS14 | Source:OM | CF:OM Treatment:HS21 | Source:OM | CF:OM Treatment:HS21 | Source:OM | CF:OM Treatment:HS21 | Source:OM | CF:OM Treatment:HS21 | Source:OM | CF:OM Treatment:HS21 | Source:OM | CF:OM Treatment:HS21 | Source:OM | CF:OM Treatment:HS21 | Source:OM | CF:OM Treatment:HS21 | Source:OM | CF:OM Treatment:HS21 | Source:OM | CF:OM Treatment:HS21 | Source:OM | CF:OM Treatment:LS | Source:OM | CF:OM Treatment:LS | Source:OM | CF:OM Treatment:LS | Source:OM | CF:OM Treatment:LS | Source:OM | CF:OM Treatment:LS | Source:OM | CF:OM Treatment:LS | Source:OM | CF:OM Treatment:LS | Source:OM | CF:OM Treatment:LS | Source:OM | CF:OM Treatment:LS | Source:OM | CF:OM Treatment:LS | Source:OM | CF:OM Treatment:n/a | Source:n/a | CF:OM Treatment:n/a | Source:n/a | CF:OM Treatment:n/a | Source:n/a | CF:OM Treatment:n/a | Source:n/a | CF:OM Treatment:n/a | Source:OM Pool | CF:OM Treatment:n/a | Source:OM Pool | CF:OM Treatment:n/a | Source:OM Pool | CF:OM Treatment:n/a | Source:OM Pool | CF:OM
10-HDA 1659291.4340 51716.3908 1886348.1930 1765151.2580 62369.8506 1738069.5470 1707367.1150 1582428.0900 1586230.6910 1779678.8650 1756108.3060 1730907.2930 1724278.4460 1812928.9270 1805938.7060 1612914.1250 86927.4075 1788589.8750 1588807.5470 83009.1294 2744023.6510 2771485.6970 1730312.0140 1767679.9630 8957768.3450 5644405.6190 2778975.8210 2699815.3330 2894252.3970 2932370.3860 1420288.6880 1649602.6500 1662367.8530 1803831.4300 632266.5374 752997.0174 676587.7390 659625.6569
10-Hydroxydecanoic acid 10-Hydroxydecanoic acid 5548838.9070 5380643.9080 5225797.8880 4667579.4110 5400694.5650 5437585.3710 4719673.0100 4977079.3780 3482995.8280 3468347.6200 1621358.9250 1558492.8950 1340304.7690 1458510.7390 1182078.8150 1070165.4000 1670591.3960 1887552.5610 1646559.7070 1535873.0190 3902574.3350 3835348.8990 4636737.5380 4818078.2190 3316581.4960 3684160.1950 4490747.1370 4579332.5720 4673190.9740 4920939.4530 776534.5926 973046.7203 990288.4202 890889.3574 2204048.2260 2993153.8830 2586794.8750 2370389.5530
10-oxocapric acid 5774302.5350 5333516.5000 7446112.5800 7951808.5730 3687839.1240 4630551.6570 28749368.4300 21163008.2500 1390962.9270 4264359.5540 10260021.6000 14218930.8800 4613363.7300 3253996.9130 16462175.0900 21173008.9000 5835516.6270 6247806.2250 1664186.8550 1666979.2370 50758352.9400 51677475.9400 7501366.3540 11159113.6500 43015525.3700 24493946.8100 8853303.3940 8708632.1640 23397357.6000 25381977.5200 295687.4500 3351040.9770 3202874.2570 2852319.8080 15210843.7600 18168572.4900 12082409.9500 17073313.0400
(+/-)11(12)-EET 11,12-EpETrE 1469663.6150 1534284.7600 1991017.2080 2142205.4870 4828615.8700 4913428.3650 2189262.8550 2007646.0470 5203346.9100 4826292.4270 1484051.7510 1411987.1420 912540.0698 752719.4544 1963739.8010 1986181.0630 861859.2974 813047.0666 1755879.2350 1592594.9270 997320.7058 1059289.8820 3402850.0880 2946605.9220 4405663.0790 2529870.5890 1144410.9230 1065366.1120 2485396.9610 2381292.3190 37263.9886 44732.3463 47120.5085 54991.6825 1400099.1310 1664722.2790 1540222.9570 1427728.2510
(+/-)12(13)-DiHOME 12,13-DiHOME 1209481.7940 1308761.2200 1510390.7280 1484282.6670 3171247.7220 3435100.3860 3133616.6500 2897005.6610 3520384.8490 3306407.3480 2283812.5370 2085224.4700 1796242.7740 1554848.0960 1592030.8830 1578125.6750 1820986.0180 1940023.7020 2196765.5830 2237167.5090 2529576.4780 2759446.8410 4161344.2900 4282662.2300 3504723.7650 3257922.8970 2662624.9570 2770808.9430 4991095.3540 4908681.7440 148972.2097 226554.3298 72192.0573 60968.7548 1790668.7210 2205747.4640 1902576.9750 1893223.5360
12-Hydroxydodecanoic acid 12-Hydroxy lauric acid 2777847.1640 3032391.7730 4451561.3190 4229425.6970 3640580.2190 4469320.4870 6004414.5510 6133081.4830 3819013.1860 3696924.3080 3864620.5020 4249084.8330 5201255.7630 4974000.2110 5856706.7470 5304663.9710 3639136.0170 4250085.9950 3352941.7470 3235225.3710 5627956.9050 4986910.0590 5268267.3740 4981741.8190 5863579.1310 5332183.0470 4238119.6160 4168650.7360 5957287.8090 5165158.0830 572861.3507 624525.7470 656869.8046 675918.0413 3809451.5550 3629594.6500 3965898.9020 3694979.5990
12-Hydroxylauric acid 12-Hydroxy lauric acid 3511703.1100 3558540.1370 3661687.8190 3950417.2400 3260211.4870 3243100.6620 4004049.5570 6403806.4130 3025952.5240 3003752.8080 1579933.1610 1878918.7350 1335454.3100 1198451.2930 2359101.2970 2316447.1760 1648893.6710 1510970.1420 2058795.5360 1243703.5670 4333119.9980 4139799.1400 4491811.8390 4135525.3430 5008266.7500 3982123.2410 3948558.6920 4481764.5680 4507050.8500 4386031.9370 566925.5176 433773.5216 526378.1979 559680.1754 2064079.9790 2666769.7850 2509804.3960 2185278.1950
13_14-Dihydro-15-keto Prostaglandin J2 113311.9869 163884.6086 522460.7930 465925.4541 3472909.7580 2878611.5310 3522918.7860 3512667.3830 898658.4595 868166.1772 257090.8629 285070.6642 3014671.4580 2397546.8930 3577715.4750 3491611.9220 2056547.7370 1956720.6490 668294.7808 681006.4986 633150.8828 555782.1548 112167.0597 90818.8758 292684.6413 282352.7514 98651.0758 89930.9224 199160.1316 239543.7142 80987.3249 70460.3621 67108.3878 65926.1485 985371.0069 1023324.0010 1017394.0720 988242.9568
1_4-Bis(2-ethylhexyl) sulfosuccinate 2-Methylacetophenone 7403656.7070 6729262.0740 9201248.8540 6446562.4880 28704272.9800 20471128.3500 7699257.8350 6951499.8060 9506207.7210 13173220.1700 16663401.4200 15301300.9500 11358521.7800 8950939.0250 135733403.3000 88716958.4100 15262506.5500 14248391.9100 13020801.0200 11282626.4400 19617030.9000 17161619.6300 9719914.2600 9628269.3540 14377968.8500 13504845.8900 33614711.7500 28970768.9500 21843358.5800 22042797.2200 277648.7669 223113.4129 299638.2427 351366.9409 10172222.5000 7913063.6280 13131669.5500 8100825.9330
(15Z)-9_12_13-Trihydroxy-15-octadecenoic acid 1059690.5470 1465288.2290 3604087.8220 3608354.3850 4236923.9630 5043617.1530 4491682.9650 3925810.9160 2496114.7100 3048456.5770 2774204.1090 2917178.0080 2387029.8830 1635573.6330 2097781.4390 1940133.6970 2540053.7200 2446094.8730 2421792.0320 2633048.6750 3772731.8250 4078896.9420 2630758.6630 2471059.8010 2258490.3780 2351033.5740 3744909.9340 2645791.2540 3036094.8540 3151993.8100 585256.4957 663785.3621 825858.3562 856520.0932 2202071.0970 2619088.2740 2853814.7870 2090543.8840
16-Hydroxyhexadecanoic acid Juniperic acid 4636277.8530 5012487.7770 4718974.0380 6772427.4140 4403890.3630 4340017.0040 3715913.0260 6613777.1790 6420996.8640 6314734.3250 2005147.0680 1859723.4810 2619311.4380 2250039.2560 3856767.4440 4443782.3640 2821586.9460 2871248.8480 2271627.2320 2341236.9420 5984503.6590 3922885.8060 4926231.0840 3543796.0940 8560535.9060 4882200.0130 5867097.3900 5671745.7350 5276705.6070 3752818.4730 86218.8977 113561.9242 73846.7146 36171.6929 2507865.1680 3010181.9640 1871471.3320 2980215.0060
?17-6-keto prostaglandin F1a 48752.9360 48108.6068 166397.7408 154642.2718 52127.5874 69221.2737 85037.9978 65533.2170 98819.0422 85423.3230 93861.8937 102662.9173 172726.8156 137795.5813 79565.8590 123104.8368 56310.2303 53635.5134 58632.9387 57882.7862 7644841.9940 7968885.8540 2993695.8290 3341036.1870 1709677.2080 1625554.3590 720740.0755 744061.6514 2316682.5450 2677931.4690 31196.3288 27705.5869 27301.0782 30908.3466 662605.9087 851505.6986 723520.7015 704661.3436
1-nonanoic acid 2644703.8950 2754264.3250 4128689.0450 3503712.8070 1664216.5750 1247771.0050 3036322.6860 2807757.4870 2916718.3380 3171049.5300 2666063.6250 2791450.9910 848917.4616 585589.4634 5961908.9670 5448371.9610 1649827.3490 1665598.6970 3004166.7960 120844.6692 10919574.8400 11918460.0800 1663793.3450 1708209.0110 7576576.0080 7058275.8910 1315991.8030 1214402.6180 8437342.3380 8937836.8190 2668114.1050 65362.9302 2960700.9720 3075700.5490 2463795.1150 2558650.4170 2589782.4360 2447582.9090
1-O-Phosphonopentitol 149245317.2000 136002033.5000 165966737.8000 155017199.4000 222540842.4000 221939130 162583773.4000 136174753.9000 203678276.1000 207998249.9000 153836484.2000 123922984.2000 112299913.3000 89992203.7800 142452702.3000 140715593 132555373.1000 123152281.2000 154827068.6000 139597314.7000 145251132.3000 155537376.1000 155280236.5000 157962565.9000 217664169.7000 142837254.1000 114053755.4000 110594997.7000 167996823.3000 167816176 425750.4557 163909.0425 517050.6368 634449.4787 130667187.6000 129852943.2000 134564119.4000 128941166.4000
1-stearoyl-sn-glycero-3-phospho-1D-myo-inositol 1681863.3560 4849957.2550 1351246.3710 524785.6584 30555126.3800 27345043.1700 32231597.3600 45096314.8800 83576591.2300 73378658.4800 13980514.5400 19502938.4400 12566370.4100 773211.7851 13281919.3700 8287302.1890 2147832.4050 4271018.9510 14346246.1400 12793508.3000 27956418.0900 28961014.5900 19454180.6600 11970610.7100 7712206.9350 2931613.3470 2110155.3040 1222378.6310 79538247.4200 48636537.5200 263160.7696 1659390.8570 1582920.0820 616688.0966 4559099.2470 12135266.3500 5691290.4960 7259750.2970
2_3_4_5-Tetrahydroxypentanal 9836281.3110 9120832.6440 10210149.6400 8704008.3000 13860848.4200 11633156.5400 14368754.5900 12314134.5100 12039523.6300 10804894.9000 7588769.7160 9099350.9960 13712516.3200 14824594.8000 13150542.5400 10581349.1900 8406580.2890 8782324.8100 13943095.7200 12458888.9400 14645216.2200 13522256 10601128.8700 9939796.8680 15110974.2100 15910924.4700 11568152.1300 10704416.1400 14332299.1100 18830119.5200 280245.7378 978904.5484 274441.0756 279317.6279 10887011.3200 11334816.3900 10918325.8000 11039095.2400
[2_4_6-Trihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]acetic acid 2742460.7710 2913866.8570 2601901.5070 2577832.5650 2771154.7660 5908366.6260 2795826.5400 2945337.0390 2884416.0480 2778723.5990 2580962.6010 2688303.6280 2638484.3350 2566273.6430 2570832.3710 2465458.9420 2723272.6690 2567850.2510 2806510.2740 2888423.7360 2747615.6700 2859451.7220 2448655.8770 2625954.8540 2489335.8860 2438277.3030 2577103.0640 2672066.7860 2388892.7210 2718383.7720 2760180.3930 2596187.8620 2502366.1430 2431029.8070 2678955.7230 2340924.0400 2577165.3600 2591835.0260
(2_4-Dihydroxyphenyl)(oxo)acetic acid 2080516.7300 1980972.4930 7365084.0580 7433940.5350 2970506.1780 3246656.6880 2534802.3510 2410307.8820 1813836.0840 1774603.6040 366065.9530 453265.6020 669928.6520 802130.7450 1205047.7300 1209103.7010 786840.3599 882473.7556 1115008.4480 1014886.2180 1911796.8440 2524654.2650 2179201.0160 2202840.6360 3207802.6340 2984869.3340 3505302.3700 3706509.3240 2087493.7930 1844748.3270 79588.1795 73389.9843 75556.2630 82311.7453 1276387.9390 1120415.2190 1144956.4960 1273882.4060
2_5-di-tert-Butylhydroquinone 26373572.4200 27241728.7100 28768611.0200 29786302.8700 34862249.3100 83901553.0900 39072533.4200 37089838.5000 35786678.1400 33951435.1500 24647245.3300 25231937.0900 27813579.7700 4266016.2160 30886426.1100 32827746.2300 27578820.1200 30726188.4900 39467240.6200 36808197.1600 29644781.0100 28167074.7300 32551132.8500 33140552.6700 33243205.9900 29369119.7600 26878141.8200 6092749.6980 4977320.4610 32915846.1800 10811782.1800 22499436.9700 17713595.4400 17126682.4600 22518767.0700 32985877.2600 23019255.5600 25367531.6600
2_6-Dideoxy-3-O-methyl-L-arabino-hexopyranose 360000.5731 620586.6805 1196560.9790 1309078.4330 1043417.5760 2154262.3270 1427377.1800 1413251.8390 1402412.4110 2297610.5630 1635884.5410 1649603.9220 1187798.8260 1014906.7880 318800.9988 2739322.0680 1125323.4220 1278652.8730 2653371.3600 2625928.4590 1364513.6400 1961319.3200 1650178.6430 1889011.6090 1649796.3520 1915974.6610 670242.9433 890262.2207 2557557.9950 6240285.5600 81451.7435 78315.1803 451822.6036 470178.8068 3686366.0810 9433398.7790 4792173.7720 5207499.5280
2-(acetylamino)-4-(methylthio)butanoic acid 10172006.4700 10477211.1200 13052929.2600 12412483.3000 42051077.5800 43691133.1200 32368389.2500 33137595.1900 25644190.9400 28249455.2700 12716247.8300 12390384.5900 23436784.1400 18797567.2600 13742288.3700 15958553.6000 10474646.6900 10036651.2700 16272115.1300 16614948.3500 15086831.4800 15322442.0700 18884143.7900 20645032.3700 20934004.5400 20835166.7400 12580961.9100 13393581.5600 33000482.5900 33362679.0600 1036882.1970 890768.8269 923017.2489 71988.0167 15862305.6800 16297017.9500 16245478.6100 15881618.1200
2-(Acetylamino)hexanoic acid 4298338.1930 4085159.6980 4643098.1970 4397267.8250 8684712.4340 9049911.4210 15378327.5600 15288122.5600 6774368.4300 6869074.7790 4079655.4410 4033914.6920 9832958.4940 8660464.0730 6096821.4820 5648786.9170 6726891.3270 6517625.0110 6263837.5680 5899470.4750 11130298.6200 11121257.2500 7485981.1080 7360818.0130 8130122.3010 7744324.1710 5488825.9590 5858570.5130 14499815.3200 14637037.8700 198374.5290 173419.8620 29447.8988 191416.3684 6356698.6170 6131144.3750 6374255.5870 6271794.6310
2-amino-2_3_7-trideoxy-D-lyxo-hept-6-ulosonic acid 2-Amino-2,3,7-trideoxy-D-threo-hept-6-ulosonic acid 2951266.3530 216661.4965 4315377.9180 4110268.2510 10059991.0900 9275401.7050 15948098.4700 15326463.8700 12461748.9300 12239044.2900 10161277.2600 10409812.6100 7944778.5580 5953708.0940 9325465.4550 8262505.6590 5222470.9080 5707300.7870 13014605.4500 10943551.2800 10868559.5600 10883789.0500 7350476.4480 6923497.7580 11034814.2600 10228534.4600 5340639.5790 5045759.7440 12231829.6600 11615848.4100 39324.2756 91959.4149 62433.8616 68056.2048 7440041.7880 6984287.6660 7738546.9500 7181821.8340
2-Aminooctanedioic acid 4145096.6090 3844997.4490 2457050.1830 2450885.2420 9922817.3990 10898697.0600 7501603.4710 6923574.6310 6556487.1470 6348290.9510 4593880.2460 5161955.2920 4837977.4950 3820841.7220 4405808.1930 4297947.5770 4194439.4790 4183981.2040 5812554.8280 5474666.3380 5904299.1560 6029828.8160 5244130.8940 5008547.1430 5646236.7440 5199192.6000 4693834.5730 4429041.6580 8856143.0160 8883518.3800 31933.2334 29757.3958 37366.8854 29046.7474 4348415.9110 4638233.2950 4608302.9450 4368732.9340
(2E)-3-[4-(Sulfooxy)phenyl]acrylic acid 863727.8685 916223.6011 3010982.4890 3116768.3140 8055062.8280 9509058.4670 9596940.5110 9412566.5120 9168510.5170 9850212.8000 4402340.0980 4244614.3990 7375977.8840 5688613.6670 570731.9843 581761.7267 4511581.4130 4432080.9900 4777187.7580 4600154.2470 17502114.9800 16816700.7700 7913730.1940 8058669.1680 121546954.3000 106789394.9000 5576652.6940 5612184.9450 142884874.9000 131324738.2000 35770.0249 35288.4158 37799.2075 36507.4168 16875765.3700 18993382.9800 17724619.1800 17293725.8700
2-Ethylglutaric acid 4943135.0690 4613074.5580 4797691.5260 1883144.2050 1786617.7410 2219046.9680 1967698.2780 4003222.7970 1972007.0670 1654819.9540 4340906.6350 4025646.3670 1506943.0360 5190783.0700 5130247.2190 5647192.1850 1582699.0100 1697317.2590 8038799.2300 9607817.8600 2655942.4940 17096289.5300 2228867.3930 11170767.5900 9723866.7700 10992149.6400 6552733.5030 2202200.9690 7775132.8090 2274037.8880 1825319.0510 2027713.3960 2283503.5760 2429516.5650 5673934.5320 5142126.4010 6079678.0990 5352136.5920
2-Hydroxy-1_2-diphenylethyl hydrogen sulfate 103884.6010 103708.9479 92952.7655 165726.6838 177079.7429 116813.6936 158395.3044 113504.8812 217325.6576 139609.1536 153189.3777 119354.4137 1291536.6510 1029825.8620 131700.9708 191877.1131 160401.1198 161439.1227 150781.2310 140810.2101 108391443.3000 107872427.3000 37005920.1800 35099507.9300 28823950.4800 25372139.7300 25106992.8700 24227600.4000 27787215.9600 25531388.3200 127009.1629 140865.0898 91097.6939 70665.9525 8800151.6550 9007504.1950 9490815.0280 8633988.9350
2-Hydroxy-1-(4-methoxyphenyl)propyl hexopyranoside 252549.9316 252324.7153 256399.1791 292877.5547 225480.8800 326814.8599 85514.3029 186099.9466 229372.7149 182462.6624 123140.5140 275836.9714 563221.4942 214533.7689 348980.1438 415601.9638 269436.7740 233639.4606 348445.0311 500547.5494 1393034.2260 1458410.2120 786300.4961 605605.4375 2366925.6550 2203984.7610 1751435.4730 1822215.0300 4071871.2340 4143513.0170 255640.5903 220744.5041 178193.8083 173312.8661 466132.7196 508864.3970 491602.0407 474447.8632
2-Hydroxy-4-(4-hydroxyphenyl)butanoic acid 2266792.0010 1960692.2080 2103109.0170 2295852.2810 3097975.9500 2777030.1080 2859426.5200 2810448.7870 2371369.6430 2693724.2320 1752422.2750 1739004.0100 2510596.7010 2136733.1200 1782604.2810 1521836.5580 2056752.6120 2300886.3660 2272588.1780 2078178.3690 3264987.6840 3442039.3000 3376516.7270 3471842.9490 2858699.0220 2865157.9180 4430270.3970 5001515.3230 3219496.6410 2996569.8830 455386.6648 601862.5555 637104.1450 570559.7342 2408437.9950 2275332.7390 2454948.0870 2345699.2720
2-Hydroxy-4-(7-hydroxy-3_5-dimethoxy-4-oxo-4H-chromen-2-yl)benzyl beta-D-glucopyranoside 1426505.9510 1463355.4900 1789716.8310 1784016.7340 3192473.1480 2494289.9080 5487543.2540 5225420.7940 3478095.6320 3423958.5500 5602226.9820 5317726.4630 6388640.2110 5238972.1840 5517292.6970 5203316.6490 4157345.0020 3646555.7000 6285122.2170 5999718.3350 6568059.9220 6636170.6310 4624990.0410 4535819.2780 4951140.6740 4751835.8650 2400123.6730 2347809.9110 6197891.7290 5904121.6970 29477.0698 26061.6175 24469.0579 26545.4788 3101942.4340 3923984.4780 3778703.1250 3162659.7150
2-Hydroxy-6-methoxy-4-vinylphenyl hydrogen sulfate 547132.7417 522123.2914 6766895.2660 5757083.9250 949338.6902 961758.8220 2293101.1110 2402284.3250 13837830.8100 14462898.7700 2888304.0890 3083758.3540 14514784.4100 10364337.9900 2684682.3720 2407299.1410 3231954.4350 3649472.8660 9078453.0870 8183389.4210 16543646.1300 16664792.3600 8312852.6090 6862438.4570 14966183.4800 14154488.3600 8198591.9410 8348716.9790 7261793.7970 7422147.8100 41805.1394 32159.8593 69761.4215 36343.4557 6550296.5740 6642218.3850 6621797.5620 6554005.3180
(+/-)-2-Hydroxyglutaric acid 2-Hydroxyglutaric acid 15608548.7100 15663589.4500 18810774.7500 18133130.7000 22252572.6200 32588047.4900 16390572.9000 19212861.1300 22883233.9500 28461060.1000 14402480.5200 13417439.6200 22945137.5900 13363086.4800 19853080.8500 15964246.9600 10761498.9300 17439056.2500 10471700.2600 11526741.1400 42466623.1000 28787645.0400 15805829.9400 21890811.8200 27313541.2800 25807824.9900 23181055.9200 21698953.2500 59338687.0600 39047296.7500 1997871.6690 1631823.1060 2109290.4840 1575015.4700 17189909.1500 23356645.8700 14128024.5100 20359529.6800
2-Hydroxyhippuric acid Salicyluric acid 499767.7747 509712.6955 1846649.1910 1753412.6990 666616.6900 682168.6742 912960.1884 945411.0037 1115991.8830 1190229.3120 811078.8761 770003.6704 859737.8331 814886.9494 346520.9102 520761.7620 788231.5100 857217.0266 579977.3590 532421.4264 7221338.4820 6698642.1230 4764980.5770 5101606.2290 10160501.9200 9133125.4570 3576508.2890 3436247.1110 13074182.2100 12242590.6100 49531.5145 40421.0211 30582.3118 42111.5071 1977716.9390 1998589.8700 1953018.4280 1993316.4280
2-Hydroxymyristic acid 2-Hydroxymyristic acid 1999812.5500 2062775.6720 4956025.9210 4919829.5360 4773763.5620 4179038.2010 10281553.3000 10455199.8100 4674676.0990 5088763.4260 6187323.8400 6434027.0450 8948461.5980 6234397.9010 6302968.9290 6483472.3350 2519024.7860 2389049.0470 4874505.8920 4370230.4750 7044146.8900 7453967.0070 6218405.7920 5881229.9190 6572251.7430 6095404.1490 5066298.1190 5781675.0150 6753949.5830 6894840.7630 118516.3416 125658.9764 65374.5077 110698.1904 4239533.6120 4514696.7860 4788664.9170 4167631.1830
2-Hydroxyphenylacetic acid 2-Hydroxyphenylacetic acid 17879923.8300 17506509.4000 13783778.6300 13811031.6400 19914362.8600 20645086.8600 12711587.9400 13630077.3400 68837907.5800 74374113.2500 15867501.3300 15941372.6700 41869380.8700 35142761.1200 9768729.4640 9849424.1250 21303616.4400 20910060.4900 10728023.6500 10851413.6600 33482737.4700 31992143.4600 42768092.6600 42054406.0300 23546066.1300 22180264.3900 30176488.0500 28407847.5800 37124375.4200 38614097.7500 326059.1572 319246.5875 355589.9864 316538.2267 22642933.2800 24754740.5500 25002471.2400 22567913.2900
2-Keto-glutaramic acid 2-Keto-glutaramic acid 29069309.7600 22415304.4800 18675002.8400 17004769.0800 25875458.3800 21510078.9600 22340283.4300 18435615.5300 22320280.6200 24290671.1500 13882987.4900 14841176.8200 17803164.5500 26602403.3600 25045786.6700 23399994.6100 15538746.1300 24000090.7900 21067117.7300 20346531.8600 23209344.3400 23092363.6900 18962423.5800 15952693.0100 17416985.2800 19414043.1800 19991014.8600 21522033.6300 30560939.2500 31198719.3300 486185.1073 294013.9613 118570.6610 118547.1627 25289082.5600 16683852.1300 20833654.3100 23732586.4500
2-Methyl-4-oxopentanedioic acid 13346240.1600 17059641.8700 36088195.6000 43406502.9200 60375948.7200 56393472.5900 67830307.8500 69740290.3600 46278139.6000 45175777.5900 53683030.4200 53976238.4300 54629442.9600 29182114.0600 55247534.2000 47609313.6800 29297978.2900 28156196 37703267.5100 34699184.7400 179568790.1000 176070177.7000 132138797.7000 132973873.7000 139500288.7000 128155926.7000 54163561.9600 56517007.3100 123838017.9000 133403059.5000 299727.3628 285444.7219 403395.2089 173425.9723 44803254.9700 48202983.0500 51466449.8800 43508785.8900
2-(Methylsulfonyl)-3-(pyrazin-2-ylamino)acrylonitrile 594754.0435 1929341.5350 359567.3729 1489347.0180 822958.7775 3796430.5300 620838.6822 2086360.6880 468126.8549 2683622.3410 716626.4235 3075630.5900 438406.0192 2304071.0790 420674.2997 2210751.4020 502183.4504 2372351.7070 849855.6355 4053764.5390 470940.6405 2559266.4660 461653.8845 2519263.7810 500295.8350 2159779.7890 488708.8501 1708329.0940 335715.9795 2257728.2190 664420.4226 462861.1319 518348.9405 414458.4107 4061584.8200 4681720.0650 4081927.7720 4291643.2090
2-Naphthalenesulfonic acid 2446361.1630 2432347.5670 5340086.3430 5866996.5590 10701474.4900 10885821.3000 7662214.0220 7588048.1300 5149090.3510 5034122.0260 6229938.0380 5937992.8900 8031968.8930 6811733.1080 10403328.4600 9372655.7820 1989896.7120 10458520.0900 11401679.1700 10302928.0900 10223716.4200 10178921.1500 3008826.4520 2510317.5230 2154583.7200 2260277.2110 9204248.6220 8092265.1490 5118049.1360 4953809.7160 343424.1058 483614.6976 241296.0962 368898.7055 6377747.3450 6610468.9400 6447397.8410 6433337.5960
(2R)-2_3-Dihydroxypropanoic acid Glyceric acid 49742745.8400 21599266.7100 18704079.8500 44731788.1400 77012923.5200 82336631.0800 6024930.9140 14880902.1900 69886167.7900 20057580.2700 60102487.8200 35872155.3100 17126532.9900 13135381.6800 14823685.8000 13822732.2100 13006478.1000 45958426.4700 36456300.2700 46680455.4000 12829226.3400 38850904.4700 47322927.0500 46078547.9800 52334514.1500 53516583.7800 12158792.5800 46143189.2200 17202304.1900 36684853.6100 2612570.8620 2197963.6020 2945602.0770 11556089.2100 50714202.8200 19550868.9000 13711485.0200 50714202.8200
(2R_3S)-3-isopropylmalic acid 656171.9447 470907.1475 2424039.3330 2810134.1830 5853110.0190 5131049.3480 3387680.3640 3911264.7950 2126782.1420 2161920.7860 4357288.1520 4853308.7960 5026195.2130 4027120.4080 5707901.3350 4820167.1910 3365854.0590 3356115.2180 6086976.5250 4827927.8520 10011046.7600 9983163.5350 9488400.9660 6974698.7230 6281054.9400 6113418.4970 2940712.4720 3695948.1950 6285074.2790 10521668.1900 631623.7327 696934.0630 61285.5611 775851.8651 2758789.4910 2944054.3660 2358116.6520 2977672.9990
(2S)-2-Amino-8-oxodecanoic acid 5044320.7520 1433957.9190 982987.5451 916206.5037 2446891.5320 2863699.6030 4179566.8090 2641580.0700 3763985.6440 3499846.4820 2316323.4540 489180.0919 3758521.6230 3331953.8600 9126902.5780 9044501.9850 14937464.0500 14631054.4500 4192003.4880 3711424.3160 384552.0122 210021.0326 959583.9930 899207.1559 831054.1106 745874.7837 2041090.3870 3236367.3030 1162237.5290 1191481.4710 103762.5143 78515.1309 43614.3718 35767.5917 3948600.9940 2749623.1770 2087876.5000 3606346.0470
3-[(1S)-2-Cyclohexen-1-yl]-L-alanine 7145144.7620 6805572.5730 7163013.7300 7161547.1720 6190281.9820 6776541.5740 6719886.5400 6452593.4130 6005138.6530 6104162.5100 4937955.5090 4937761.1760 5478489.0570 4494613.5300 4894894.7130 4611455.8120 4929907.0640 5053307.1010 5133208.1970 4981097.3800 5778528.2470 5870306.3680 5372233.7890 5307067.6430 5935730.6610 5187354.5150 4796440.3850 5271066.0130 6580153.0470 6776140.0560 263686.0295 248289.5468 330345.4061 248376.9358 1159228.7730 1121842.6610 1218314.6260 1127136.7340
3-(3_4-Dihydroxyphenyl)-2-(sulfooxy)propanoic acid 350113.2368 372099.4177 1078158.8060 1087693.7880 4242348.9390 4075735.5240 4376391.3200 4657577.2310 8402985.9420 7546588.2180 2624481.5300 2861261.4000 4388962.7540 2840540.3560 4603136.3240 3698041.8860 2790574.2160 2855840.1700 4188038.7350 3228955.9090 19264324.6100 20349786.6400 8132119.2210 8934969.8590 8187393.5470 7486472.5930 1581191.5740 1780269.7550 30893831.9200 29875379.7800 58701.4478 67252.3958 59455.2480 61125.3804 4189798.5490 4256604.8540 4863395.6490 3981106.1840
3_3-Dimethylglutaric acid 580089.2802 492722.3338 4327569.6100 3446465.0650 312162.7735 462428.2728 3085900.1340 2989100.3720 1845397.2770 1690609.2380 942669.9244 832551.1883 1099375.2650 1026748.3890 13439133.0600 12982248.4600 556765.6393 369839.2777 7425130.8560 6771917.2270 12451580.7300 68898818.4900 12525954.2200 12718092.3800 29980422.7100 26806584.5700 13327641.7100 12132707.2600 18153200.5200 18109400.8400 360267.6604 379551.9505 1777585.2740 283588.7183 9023576.0500 8060356.8440 7293755.0060 9113300.3150
3_4_5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-on 6645820.7430 8361736.0750 6412677.8380 6681129.4020 4543725.4940 5273224.8600 6430763.9370 7736746.7880 1126784.4000 9085493.4300 5625661.7650 6690033.3940 2266388.2880 1211132.8710 2374586.3190 1898536.5510 10256900.6900 7556693.5130 5692768.7570 1979309.9830 13174088.6400 18648867.7100 2000118.4840 1060024.2570 2480982.9500 23937832.4800 17011614.1900 8637025.7820 6056030.8850 3040901.7340 1183913.7400 1065265.6800 853379.7709 721208.5238 9760659.7290 10147897.3100 9798282.2180 1904933.8460
3_4-Dimethylbenzoic acid 3,4-Dimethylbenzoic acid 12244216.6400 12711815.9700 19939580.2900 18308642.3800 34669141.5500 30880278.1500 29460672.4100 29628198.7300 26512116.1200 25116187.2700 27354477.6800 26662727.9300 15024879.0200 14066119.2700 45583673.9800 44066745.5300 9674902.9870 9355325.3050 17459435.5800 16023930.4400 19674645.5500 18840703.8600 24330971.1000 23192402.2200 17559677.3100 15364199.1900 14397242.8800 13871873.5100 12805342.2700 14264472.7100 646512.6874 644829.3609 695407.7259 622680.5289 14854021.5300 17446965.6500 14927762.6200 15734361.9300
3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acid 1314973.5400 1331282.7240 5655771.6020 5644135.3600 5821796.8830 5861290.0430 8053223.1210 6278605.4650 2020961.2510 1656693.3000 6986079.0170 6676419.5710 10816187.1200 6787846.1060 9297883.5820 7600524.5150 8482916.2900 7953690.4650 4417707.3440 4185287.4080 19777945.2900 20017122.3500 21290343.0500 21361893.9100 17424238.2700 16771360.2700 11652571.1300 11237616.9400 8393243.6550 8822546.9380 527196.4237 416535.2720 586539.5466 173385.1181 6942858.6370 6717527.4860 8891313.2930 6213572.4180
3-amino-2_3-dideoxy-scyllo-inosose 3-Amino-2,3-dideoxy-scyllo-inosose 10396704.8600 17363994.0700 19975403.6800 16535528.3600 30271860.1500 30750607.0100 38447631.8000 46466203 31830226.7400 31565152.2900 33670373.4400 39867403.5300 48630190.5200 40578586.5100 33209356.7700 32345556.4500 22006039.8400 27899825.7000 40930138.0500 43755740.0400 57158034.6500 55153985.0200 36065034.2800 38029353.8700 41911122.3300 39822892.6100 24748344.9200 26839380.7500 43358165.2000 41576638.4600 444236.3455 410510.6088 414647.3387 474752.5691 27275890.2400 24767929.8100 25909765.5900 26904259.0600
(3E)-3-Octenedioic acid 11980596.3100 13433373.5800 17925442.8000 20830806.1600 4866581.4900 4649357.2100 7115806.2600 6606430.3090 5811882.3750 6094406.3720 7136779.3070 7305624.1550 6242960.8340 4442194.8520 18198364.7700 20787179.9100 6403234.7850 5877553.3870 14827802.4900 15528131.4000 45745216.3200 48308379.4900 30680642.8500 31245188.9800 25357665.5400 21000274.7800 20959935.1400 20942276.7400 34421682.3000 32866581.6400 2230559.8830 1504569.9810 2303034.0430 2524772.3220 13669172.5100 14973251.0800 13654361.6400 14150212.7900
3-Hydroxynonanoic acid 9123315.5130 8521476.7410 6095302.8310 7696204.1690 6713101.1680 6882870.8730 7712787.7920 8431199.1580 6170463.5050 7747610.8040 2089451.2390 2534235.6790 2093238.2230 2171272.8690 1949752.6850 2478734.0340 2787351.4160 4635065.3890 2380098.3080 3658422.3260 6275157.2670 8063913.0740 7455645.0890 8494005.3890 7288631.2100 4687001.5770 5427710.5010 5881289.0080 7018754.5090 9210531.0310 3664684.5270 3085367.9930 3871511.9290 3538483.5880 4680612.6820 5588965.2520 4972768.7700 4919495.8280
3-Hydroxysebacic acid 3-Hydroxysebacic acid 3671310.6700 3887167.3590 11030505.3100 11468908.3000 4368649.0460 4662069.7290 5910290.6210 5397412.3470 3714858.9160 3734547.8760 3181537.3560 3093085.5280 1836070.8840 1595874.5020 5834093.4310 5771305.7500 2692315.9320 2757991.9820 2879577.6010 2966977.1420 50182956.7000 50960061.3900 10428994.9100 10976312.0500 24285879.9400 22199268.8900 14430922.9800 15114795.9400 24787814.8200 23770333.5200 104290.7661 133845.9637 221087.8484 211721.0391 7842417.2590 7799320.1320 7650176.2830 7896054.0820
3-Hydroxysuberic acid 3-Hydroxysuberic acid 891758.6401 878878.3959 1188770.2330 1321072.2340 765310.3902 810306.5055 863751.5576 960346.0084 783649.9643 846819.1867 461817.1995 511282.1069 469684.3647 375618.5917 952143.8409 982852.9759 416976.5778 464524.2779 680707.0596 599404.7658 4065384.6000 4046688.1720 2293435.3110 2396119.0840 2577435.8440 2373313.1980 2045966.1290 2121035.4990 3261598.3920 3270509.9670 121778.2851 152964.2901 194577.0940 173316.1513 997983.3291 1079656.0300 975492.6134 1033852.0160
3-Methyladipic acid 3-Methyladipic acid 22677485.4200 19416478.9000 20680196.0100 25101521.8200 40236300.2800 33386913.3300 23223131.3000 18837448.5700 23235264.3500 20619056.8500 16555682.9700 14631728.0800 18557223.9500 23132385.8200 23839257.4300 23271452.3700 15136403.6900 15525666.6700 22684172.1200 24324109.6600 93555181.0300 90038340.4000 68237478.8700 58249281.5300 48673803.8200 45037363.9800 35598601.6300 43201865.2800 57637390.9900 62830456.5800 1952755.1270 1785049.2210 4922657.4730 2137325.1690 24112416.0300 25099073.4200 25646172.2300 23973431.6500
3-Methylazelaic acid 215489.2915 263969.2005 1129528.1960 988164.4531 571815.8785 690592.4755 591009.9830 436689.3451 582244.0755 642737.8645 431425.2007 519189.5564 609973.8593 484104.3120 1103186.4410 926300.4915 350585.3395 183768.5313 831919.5763 915885.8551 13117731.7500 14497182.7500 7108799.7970 6577562.7650 6697004.3860 5166099.4020 2172277.3740 1925406.8640 2332573.6860 2153187.8950 479877.0815 543507.5402 614751.3341 642060.1608 1443557.0070 1796275.7130 1783567.2560 1441366.3200
3-Methylglutarate 2716955.3620 2267532.5750 1945232.1170 2252738.4380 3046216.4830 2766601.9890 5351502.5340 5703037.9590 2985707.2970 3097222.3070 4648490.5950 6727989.0010 2119753.4230 1460043.5210 7319687.5510 7180886.7730 1235995.9120 1116507.3220 5293320.5960 4834218.3720 41484430.6800 41870013.6600 15195324.5100 17364030.8300 16462260.1000 15868020.2600 9322666.1180 9779808.4900 18217089.0900 16456357.8600 1853850.0490 2124755.9790 2531972.2830 2785615.2050 5393177.1840 6162690.7730 6292644.2260 5267555.4910
3-Methylglutaric acid Methylglutaric acid 37866999.5600 24692351.6500 56858709.0300 55412290.6600 52951655.8900 63810607.8000 74806266.3300 77467226.0900 52979065.8600 36029920.3200 88018524.7100 103608928.8000 53231550.6700 53878214.7200 116812313.8000 113903957.8000 45568061.0900 46327198.7500 62281952.3800 87416020.6800 172940057.8000 175605162.9000 124167241.2000 114526470.1000 107639505.3000 142700587.9000 65035036.6300 68016218.2000 90579462.7300 112533223 3037762.0950 2954506.5970 3822408.2900 3620228.2770 70783437.7300 80632576.5600 79662275.7400 71033386.6200
3-oxolauric acid 510428.8240 722171.4318 819190.8313 1196094.9120 1163442.2770 986051.2910 1385777.9830 1877553.9620 810252.7974 984775.1366 896108.8076 907218.7354 984443.2864 866221.0394 3135295.1170 2942051.0380 807736.3848 1009613.1750 1681529.7150 1507242.0310 2500947.1300 3374656.8440 1885753.0680 1655890.3360 1924233.1130 1634141.3970 1513952.4370 1312410.4520 707623.1605 814402.8235 507299.6654 618889.8007 806808.7412 871107.8033 845854.6762 840254.6120 947867.8752 799535.5858
3-Oxooctanoic acid 1366956.9620 1066529.7420 3778885.7010 3141656.6490 1262694.7860 1158504.1560 12946806.6400 14543195.6000 1198024.9320 1160619.3190 4345183.9250 5478590.7550 1202454.4010 168325.8429 4652914.6680 3381475.4690 2407428.9740 1504822.7500 11675107.2100 11225711.5400 31987438.9500 30267485.1100 4588993.5670 3144987.8540 29494560.8700 27410696.5900 3905461.4410 3517674.3220 4384263.7420 5949617.9400 11031996.1200 10406699.3000 11268161.8300 11676548.2900 4327328.7610 5484214.8130 5202028.9390 4442316.2070
3-oxopalmitic acid 1500986.7790 1757586.3830 2688927.2560 1588169.4830 2258322.1200 4878331.6090 2903795.5870 2560252.7960 1854921.6590 2127943.1430 1313475.4870 1366799.3160 2271529.9670 1639711.7290 1536125.7220 1231216.5950 1043911.7030 1031606.5550 1784256.1060 1653463.9840 2094766.2440 4310391.2370 3999946.2210 3140163.1900 2071042.9260 2037979.0180 1902536.9300 2953397.8840 3920435.9470 3230735.4070 948932.5871 1159320.2460 1059902.0910 1118553.4320 3316134.2660 4169450.6790 3653095.7010 3482394.4910
3-Phenyllactic acid Phenyllactic acid 1921416.7930 2069393.3890 2647087.6010 2845413.0270 7734638.1940 8096204.4170 11489057.9700 9030220.5380 8935311.1760 9922494.4170 2434992.4740 2592804.2590 4753317.0310 3871635.5530 2066025.7540 2016979.2100 1484143.3920 1474037.4430 1768727.1630 1495971.2600 11276248.8100 11589931.0600 7545922.6020 7016137.9070 3644028.8630 3520302.0410 4457616.8510 3594636.7720 14739599.0100 15081851.2700 283316.6032 229330.2431 265565.5000 288557.0922 3518528.5260 3793751.2510 3654577.3710 3567193.2920
(3S_9aS)-3-(1H-Imidazol-5-ylmethyl)tetrahydro-2H-pyrido[1_2-a]pyrazine-1_4(3H_6H)-dione 599791.3892 643093.4382 811258.2947 783944.2112 1457190.5410 1785801.2160 962497.1289 1007156.9800 903775.5647 1065065.1670 1028687.7810 883330.0160 939883.9000 757352.9400 650861.5616 782164.4944 998321.1855 1134037.9530 806327.8824 720201.5884 1856864.0740 2172305.1360 1501655.1260 1616107.2800 1675603.2270 1620064.2970 2809364.5800 2893923.8280 2640811.7250 1992545.4130 207785.2687 110295.6380 191050.9454 207275.1105 1162043.3730 1319018.3380 1172252.8360 1217560.3270
3-tert-Butyladipic acid Sebacic acid 16995769.9500 16867195.3100 23187480.1300 27052464.4400 31311946.3100 34220600.9100 31594753.4300 32064842.9000 26964509.8200 26750594.2800 16633690.1000 17706661.7900 25272480.5500 22735663.8500 26197337.8300 21775099.1700 19579212.2200 20264319.3300 18064335.1900 17535730.9900 60994829.0400 48156715.1000 31992268.9000 31763104.0100 43450232.2100 40857749.5900 48749633.9900 47286065.0900 35492207.8400 46368657 3715507.7660 3832677.0240 4495763.3340 3898315.5620 23232876.4000 24317901.3000 26518843.3000 22560045.4500
4-(2-Aminophenyl)-2_4-dioxobutanoic acid 4-(2-Aminophenyl)-2,4-dioxobutanoic acid 1026319.1830 1070268.6200 659876.0073 805416.1008 1650601.6560 1469756.2730 582911.7674 452054.5954 1896807.2250 1915236.0810 354190.8149 444623.7431 1373296.1160 1092320.6830 146311.3230 274690.9957 259836.2427 351613.0087 594690.6576 523153.9981 2924616.6520 2919674.6530 1911687.6720 1850479.1630 768581.0802 641019.3030 975464.7325 1068512.8010 3467315.0390 3396257.4150 139080.5264 115383.5980 110110.1305 29723.1789 904235.5192 950177.3551 1085686.7540 866016.4249
4_5-dioxovaleric acid 4222269.6830 4773382.0870 4494745.0600 9109370.7760 12914698.1000 9346199.4930 20902555.1000 21346615.0600 7545031.9540 7672082.0780 35010452.1800 35465967.3800 20774430.5000 4156962.1340 3596400.7830 4942756.8850 19181219.2500 19930729.7200 3429165.2070 4454387.8420 112413557.1000 88198911.2600 55743485.8200 57176920.1700 70958741.6000 6097807.3630 15155007.4000 15336648.3800 5882168.4270 13828132.0200 1691110.6650 1895516.6900 78744.0815 1756130.7620 28198469.8800 28503373 28206885.1200 3917506.9740
4-Acetamidobenzoic acid 4-Acetamidobenzoic acid 631635330.9000 603195821.4000 939338425.6000 947742547.7000 314497196.2000 323262049.4000 2302916680 2322182242 4197540700 4350920684 606309994 609888346.8000 3420609296 2713947988 1861077732 1853613192 245086624.3000 243939699.5000 763884708.1000 758588031.9000 582142412.9000 577718137.8000 262010766.5000 275844032.5000 441164255.2000 396940641.4000 243907595.1000 258743981.2000 1077921233 1051252490 617519.9646 505564.5738 823231.3963 712210.0335 1127302210 1074342031 1080198805 1125923264
4-ACETAMIDOBUTYRIC ACID 4-Acetamidobutanoic acid 1094302.4030 424951.3294 2199350.0570 2016791.5420 2272594.6050 1039957.4830 3501374.2150 4215348.4100 1548025.0890 1769578.4360 1782411.8080 1743841.0980 1550048.4270 1110034.5960 3910066.2940 3678237.5120 1390724.5720 1179153.1710 3074634.3980 2800114.0110 10432621.9600 9459884.1760 4843180.2090 5648871.4880 6367751.5580 6581151.5550 3588782.8260 4449282.7420 7326731.2200 8807704.6740 655573.1905 699336.1863 66008.0702 66474.6723 2844231.8610 2047236.2640 3181065.2180 2454851.2650
4-Amino-4-deoxypentopyranose 1052380.1100 1363017.0600 405992.1288 518538.4016 1239545.0200 799965.2282 851922.5149 541784.7474 629640.2984 578705.0261 1584228.5470 1632463.0370 630939.9979 541506.4692 548019.7926 494871.3529 768514.0245 597286.4222 614170.5638 653288.2136 608395.6912 564323.8177 646625.1703 596914.4277 35829124.1700 34695093.5400 708893.2364 565597.0967 1895555.3890 2042646.2180 787553.3039 666731.2049 1008283.7300 568892.4215 4308778.0280 3610238.5110 3911040.1720 4153644.6940
4-Ethyl-2_6-dihydroxyphenyl hydrogen sulfate 355282.0795 290609.5413 99109.5647 81743.5713 112526.6104 130196.5166 175169.3363 157213.8102 280895.7844 271766.4055 73354.8436 72844.4723 159579.0422 260554.0602 382252.0138 409962.6385 467913.5712 408291.1074 355864.1086 298582.4791 3793576.3110 3635011.2580 616555.4778 618280.7285 1343029.5590 1171744.0930 787029.7521 909297.3271 3205044.0550 5140453.0330 35311.5820 33165.7290 31410.8789 32361.3529 455298.9953 419044.3440 444398.1173 445747.4899
[4-Hydroxy-3-(sulfooxy)phenyl]acetic acid 2134641.8660 2025040.9430 2252339.6120 2443346.4040 4447953.9110 5363060.4770 3271798.1400 3360530.8720 5796812.1650 6409412.3590 1396462.8780 1483745.2750 3061359.0380 2280578.3600 2748927.3500 2681969.4550 2648164.6480 2501130.8290 2069053.0470 2002212.6780 10487808.6400 11161592.1900 6172075.8010 5782896.2640 11091210.3400 9830051.0870 5292455.2890 5128107.2250 17666449.7700 19243858.1100 68348.1880 65670.9981 69197.6364 69711.1518 3854858.4150 3827416.5000 3765490.4240 3878338.7590
4-Hydroxybenzaldehyde 4-Hydroxybenzaldehyde 14878995.6100 15828185.4500 2090106568 2162590096 28137686.0800 31644579.2200 251404907.5000 252680281.3000 18802673.8800 18288534.5200 113129653.5000 114984934.3000 992909565.8000 791380494.7000 993411376.2000 879566814.3000 557979884.8000 594136196.1000 615442889 582581544.6000 22146154.6000 22971363.1200 16427365.2400 18632819.9100 1223660357 1090833268 251135100.3000 251440943.1000 6926292.5940 17628061.9400 1300817.5410 1682163.5650 1384440.3540 1433185.0840 368352890.2000 389078306 375861216.8000 372985806.1000
4-(Hydroxymethyl)benzenesulfonic acid 11643763.0200 11146896.2300 8001749.4110 7857703.5480 138275095.1000 143018002.9000 23211184.6900 21445928.7200 62207018.8500 64644325.2300 76546473.5800 76975219.5200 20008308.3100 16424871.4100 2827916.6630 2859664.8210 31624464.6300 31818638.1600 7617946.4340 7194771.5490 28935157.8400 29038488.1700 8533022.0690 8053702.5460 22271690.7600 20183904.4100 18098510.4700 18446365.5700 17985618.7000 19060267.8700 126467.2949 70026.8391 140930.7605 108683.5119 28429540.1300 28728385.5600 28144594.9000 28635297.4700
4-IMIDAZOLEPYRAVIC ACID 2602471.6820 1856596.3940 6772853.3720 8124644.8520 7908888.9100 7358902.4690 13508929.4000 10883600.7600 7818610.3300 7542969.6670 12386147.4500 12466202.5100 7665849.2810 8641697.4300 13155399.2700 13803336.9300 5040971.7250 5753437.0990 11863192.9700 8554661.6100 16232013.4800 14806771.9600 10367765.3700 10171049.6900 13122729.3700 11088668.6000 7379375.7540 6057518.8970 14109579.2400 14391909.7300 747791.0493 321250.6439 687058.3648 986155.3635 8216012.4730 5992673.2170 7781276.7090 7601875.7420
4-(octyloxy)benzoic acid 16685295.1800 15600857.3900 20830207.2800 13964567.4800 6037070.2070 26361591.8300 14098708.7700 10588804.7800 9139658.7300 10638124.7300 11868912.0500 19519238.4400 2827275.1200 7117671.5670 13206073.8900 13398577.5800 5794060.6770 5868461.7560 14973156.7300 11161411.6600 11170864.2100 9410583.4470 19118572.4300 19686999.0100 15038338.9600 13759165.8700 12242392.9800 16412009.2400 6606474.8570 7606010.7070 13085552.7800 5497764.3530 9730274.4250 7028868.6720 23691358.3100 11524308.2800 18353724.7800 19567538.6300
4-Oxoproline 4-Oxo-proline 1292891491 1297733200 1493510089 1734855080 1773564617 1626433787 1997206307 1818856592 1407390978 1364657160 1677067863 1656443530 3021023953 2955407294 3212883120 2641153681 1401170786 1406934237 1657807778 1967867017 2764471563 2696371044 2006003026 2020107649 1996299874 1996452747 2140598906 1813044563 2721018065 3248312883 1507250.0610 898769.9647 1725854.3110 1296795.1420 2669063406 2597529581 2604606823 2666099072
4-Pyridoxic acid 4-Pyridoxic acid 382991.0767 392239.9441 166863.7975 277393.1486 12249822.4600 17864888.3600 187688.4215 1967881.7670 165954.1798 3172408.3720 4067867.7840 450800.3538 228158.6887 340764.6972 7675280.6550 378704.7891 498637.0961 181388.9668 764653.8013 1838274.4810 721351.6689 5870879.6020 284948.9832 2319579.1990 465813.6717 10525780.2700 875170.6069 593861.9142 730620.3008 1308940.3080 112898.2932 255157.2666 240178.6577 68341.3519 4952074.4140 4602322.5070 427177.0197 4848066.4360
(4R)-5-Hydroxy-L-leucine 3093207.3290 2963154.3440 5222600.7870 5036037.5610 9538318.5310 11286255.0900 6447653.5940 6560384.9260 6213935.7250 6035920.1800 7081650.7380 7283653.6180 11411809.7400 10359917.6600 8431638.6360 8112796.2980 4450179.3120 4620692.3710 7334019.7600 6524200.6000 10223996.2300 10126753.9900 9656989.0140 9880690.9500 8269809.2900 7470919.6520 4785377.6960 4888448.0800 13539443.7700 13846858.8300 58393.8048 54015.2516 90915.2605 74972.4714 6076281.7030 6181665.1180 6249615.0880 6048332.7840
4-Toluic acid 2228910.2270 2501139.5280 5017079.0250 4858916.4980 6217757.4050 7197282.3330 3442141.3440 3675796.9270 14068037.8600 14015666.2700 10012538.3900 10499289.2400 5024027.5900 4346962.1410 2216419.6690 2121480.6820 3515447.2870 3392424.4620 2184277.7140 1875076.9330 6518327.8450 5940671.6720 17294803.6600 17391254.8900 3970719.9630 3441332.8770 5374159.2720 5554845.1160 16792794.4200 15843526.7400 197337.8458 1037509.5610 1078632.6500 1203177.7820 5042111.2010 5093838.0850 5069541.6900 5048490.3980
5-(1_2-Dihydroxy-2-propanyl)-2-methyl-1_3-cyclohexanediol 536353.3687 487859.5008 446981.2238 390546.6860 537340.9850 551302.8106 886876.3927 897655.3422 1060225.1070 979252.9467 520610.4207 653619.6614 665922.5587 511686.5933 249437.2663 258553.7300 428468.8458 359711.6879 717053.7694 771076.0450 2114297.9510 2500501.2980 1932679.6160 2260412.3850 1418036.5830 1421085.5150 538611.5465 552018.2744 1218084.9520 1209030.2250 101641.7964 91990.7075 122707.8707 41984.2501 617246.2996 677597.2534 688446.9949 612856.1520
5-[({(2R_4S_5R)-5-[1-Methyl-3-(2-thienyl)-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)amino]-5-oxopentanoic acid 207327.0462 137167.7351 83271.8646 98904.6513 189962.8005 234497.4184 147519.1653 106215.6409 149080.9555 204319.8180 164478.8290 91508.0363 186474.8341 153455.4628 204077.6367 154694.7294 152335.9967 209172.7029 198370.1762 191470.5286 6605422.2870 6914285.3480 1840574.7260 2100821.7420 789758.1423 829895.5688 273260.2479 145798.8738 5558368.3350 4890201.1130 111819.9271 123881.5306 235133.4751 109738.5197 323309.4266 463708.0934 421324.1017 364285.7419
5-Aminovaleric acid 5-Aminopentanoic acid 38160138.6100 48696904.6300 12458110.4200 13105866.3400 52830034.3500 46081617.6600 41677988.4000 40470738.0800 34434551.0300 34599192.2100 35719365.3100 50666508.2300 49703024.2600 44240303.5800 55081880.5800 32207180.9900 26466218.1100 26530071.2500 33305433.6000 38156807.4900 51711419.5100 76915421.5300 34157438.7000 35530012.7100 46444803.6700 73977393.3700 12955774.0900 52054256.6000 54682257.7300 55449883.3800 517874.9620 616038.3533 589783.9927 217107.4478 80420800.3200 80734024.7100 75458342.5100 82233336.6400
5-Hydantoinpropionic acid 2951986.8580 4785275.2320 1266391.1900 1350165.7810 32670656.2400 20412062.3400 7565815.7710 7023731.1350 20411906.4800 18376369.7600 7566792.5510 7729734.5110 12484949.7800 10111884.0100 34771108.3500 31224028.4600 2488048.0070 2001655.1540 10471469.5200 9612503.8940 2101143.8600 2025357.7650 1209402.1810 937870.1168 3430420.9530 3018524.5380 401168.3218 512216.0514 1528866.8630 1526683.1700 1929604.9930 1935902.7730 1863749.5870 1854139.1890 7899278.7470 8120354.2970 7909881.9650 7970768.1390
5-Hydroxyvalproic acid 1610923.7740 1599265.2160 3241914.6130 4503262.5540 1222114.6770 2090450.7490 2232980.2580 2063386.6050 1318768.3560 1463834.4750 2494080.2310 2650836.6030 1507772.5200 872439.5919 3411165.5800 3446981.9560 1155047.3700 987110.0899 1369994.6340 1348255.3640 11629763.0300 11216098.3100 2845714.8350 4262110.0470 10519714.7900 9089405.8180 5893780.6360 5817023.5850 4480115.7910 6017145.8710 878256.3633 917721.7560 1468168.9390 1159458.6890 2814474.3460 2662840.8830 3311158.4330 2603820.3060
5-OxoETE 5-Oxo-ETE 108326.2548 114906.8280 240290.7863 312079.1572 351960.3432 211959.7505 314863.0923 250386.3700 248352.1645 197384.6457 140297.6014 139482.9799 178397.7402 136193.0965 103113.3135 95896.0628 389474.4089 357175.9397 161308.0167 128617.6969 5709526.0900 5860673.7510 2411647.7610 2836147.8330 1759446.9250 1452813.6810 1099337.4790 1132095.5290 1703621.4530 1949555.9400 81517.5406 75212.3302 77895.6324 68385.8250 674740.4225 908126.1833 731810.2620 742364.6856
(5Z_8Z)-5_8-Tetradecadienoic acid 2478299.6760 2311207.4540 3695039.8140 3722432.3060 2985188.5030 3068322.9460 7455533.8870 7366601.5590 4889917.6550 4956077.3610 4998684.1040 4714085.7260 4933469.2350 3559865.8730 6887703.2120 6201834.2840 4977563.1810 4602997.0670 6009640.7710 5636743.6880 8198703.7970 7888174.2930 7124512.9660 7300585.6890 7219275.4310 5437739.9800 6990218.8180 7114939.3400 3148263.4350 3035210.6900 28805.9054 39389.2797 32696.1082 29890.0465 3609052.4800 4222000.3320 3776885.7080 3771907.6200
6-(5-Hydroxy-2-methyl-4-oxo-1(4H)-pyridinyl)norleucine 49637.5443 101313.2218 36856.6324 36455.1508 139627.1281 150976.5070 110910.1299 104212.2260 238876.2836 245888.5378 106472.7448 42661.3594 52185.0361 80311.4602 43947.5341 88480.1691 66553.0925 54509.9192 45300.0351 134632.4443 220094.7406 244308.8326 87635.4793 80256.9124 216416.9040 208555.3313 585504.6202 586602.5655 5779531.2580 5515840.8670 80134.4811 28235.0116 27562.5895 77929.9727 267490.4448 330249.3653 316300.5521 273859.9258
6-[(6-Aminohexanoyl)amino]hexanoic acid 2265634.9160 2509858.7480 63527.1693 77236.6003 3281173.3410 3134951.4390 2433227.9940 2518866.2370 1848233.5010 1957013.1540 3382650.4700 3626578.0490 3953338.4170 3025544.3810 60554.9146 55620.7000 2881227.0080 3071447.4040 4175433.6720 3630157.2300 2830937.2030 2664690.8080 2479961.3990 2516380.5820 71768.1641 68842.2387 1771161.5310 1846568.4130 2715960.1030 2527921.7140 34457.6934 31811.1747 33608.7276 32469.9665 2267449.6360 2257107.7680 2267315.3060 66180.7443
6-Deoxy-D-arabino-hexos-2-ulose 12770096.5300 12778118.5800 69718871.4200 65185827.9200 18367162.8800 2346860.1890 36568995.7500 35251837.3600 9224711.8540 9726713.9810 31653519.0200 32149158.3400 20182478.4100 20951836.2100 103664443.3000 7793682.2900 10753537.7400 11975764.6800 38367873.9300 39475593.6300 142338254.8000 144811133.6000 79412906.4100 86182315.4700 115623614.4000 112906501.7000 48230184.0100 47491126.3600 79867989.0600 81174048.9600 631659.4954 594099.5208 716533.9140 942222.9395 40104814.1400 36000683.3700 36493141.7000 40112364.1300
(+)-[6]-Gingerol Gingerol 94865386.8700 87623912.9700 96608759.1900 94965766.6000 100808798.9000 183083836.6000 104031553.8000 103663929.9000 94966832.2400 96855776.8600 91441465.1600 88834733.1300 85210756.5900 81536398.0700 83107792.6600 82918345.9800 83815299.5900 84096281 107470185.8000 105704061.7000 80926443.5100 84962322.4400 89958522.6300 94600997.8000 75929240.1500 91865831.0200 85590687.1300 89919578.6900 92820320.0200 89395457.3300 86766145.4500 79315413.1300 80545303.5300 76464819.0200 86294912.2400 92716961.4200 94350365.1800 86490378.1300
6-Hydroxycaproic acid 6-Hydroxycaproic acid 7701471.2980 8708943.4170 22330539.3300 22332463.8000 19094933.4200 13784974.7400 12479994.8200 12658242.7700 23044676.3700 18680263.4800 5698932.7830 8498889.5420 9507093.1040 7946676.9570 24366421.6300 20694948.6400 17178902.0200 10450624.1200 8624882.6360 8198863.0460 20644477.2500 16174506.5500 20956418.1700 14815667.5800 20868977.5700 27189844.1300 4945614.4830 14402811.5100 10181964.5200 11573066.3600 4613341.3050 4124223.8680 6599200.5390 5963982.6000 7987985.2670 7470706.7110 8049961.9000 7789497.6990
6-Ketoprostaglandin F1a 6-Keto-PGF1alpha 17933616.4800 17279146.8900 22615570.9100 22881960.1500 32716339 31738493.1100 19498659.4000 18519472.6600 49706317.0300 49700212.0900 16952509.5900 16945203.1900 15473571.2200 12431116.5600 13028181.1500 12258927.5400 11761813.2600 11795997.4400 22611762.2000 21085512.1600 9459292.3440 9806087.6990 31624448.9000 30334334.1700 34851967.9900 30466007.1200 12064430.7100 12356433.5000 23362064.8500 23383917.5400 62777.4684 52988.0953 68444.4290 75283.6001 16686056.8300 17640957.6300 17429762.8600 16755998.3900
6-Oxohexanoic acid 18456529.2200 17832725.1700 3347241.3870 3822905.4340 2976719.6940 19995225.4300 9389091.5220 9419531.4050 4705065.8590 5921690.7910 6447572.9180 5490667.9090 13704091.1000 11146400.8400 6810715.1210 6638933.9740 5581774.0350 6989759.4490 7569062.8420 9833094.1820 14539936.0800 19395446.5700 10665531.6500 9743989.7690 11253703.9400 10329488.3500 4975816.1500 6942811.1820 55700827.3100 53447418.7500 17679714.7200 18121000.6300 19018890.8600 18309819.5500 9922944.0630 9506614.1010 10214267.0800 9682090.6150
8-(5-Pentyl-2-furyl)octanoic acid 4564388.6000 4427164.7280 6117860.5050 5271935.6960 11405612.2700 9610743.3260 6511865.0920 6178300.1650 11039200.1600 11101725.3000 4811951.8910 4916326.9820 6215926.7870 5313751.2900 6486156.0210 5827302.7420 2917762.8670 3209556.0820 5220148.8370 4745181.2240 2018844.2370 2028303.6630 4861963.5180 5519176.3260 5866238.2930 5811094.3040 3010557.4640 3371469.6210 4656016.5160 4251277.1240 95940.4548 69699.2018 57743.5817 77059.0502 4126894.4950 5106465.0130 5217775.6870 4135900.7170
8-Amino-7-oxononanoic acid 8-Amino-7-oxononanoic acid 9066785.6690 9977855.4010 7499813.9010 7056660.9110 9064113.9110 8755520.2320 9629303.3450 9357882.9750 6971000.7010 7081756.9540 5860711.5540 5953351.0500 5743334.6590 5045051.0660 5163708.6580 4966136.0640 7051805.7640 7706674.2890 8246028.7130 6685971.3350 14470614.0200 14837486.6800 18015389.8700 13121179.6800 8095151.8550 3717996.3730 6557978.9370 6592777.7950 7518827.1680 18517168.0500 302402.7729 34331.6686 417762.6393 338192.7960 5183844.0030 5221277.1030 5190288.7290 5194474.4550
8-Iso-15-keto-prostaglandin-F2ß 63103.3027 62443.7720 303166.3195 350702.1928 137263.5471 99032.8911 198226.2591 120377.7517 107801.2195 75978.9852 115631.1835 152889.6434 326622.6731 234420.7226 111798.0096 107298.1250 151531.8699 81975.7635 90893.8533 95124.4386 16020491.4100 16353086.4300 8547035.4900 8936032.7790 3139491.7180 3104255.6150 2006654.5390 2296832.1870 4104352.3170 3787632.1730 45716.4641 41665.4920 42770.3562 43520.3667 1584287.5600 1886122.4080 1715841.3660 1641543.1820
8(S)-Hydroxy-(5Z_9E_11Z_14Z)-eicosatetraenoic acid 8S-HETE 1792341.8200 1714603.5710 2127952.7000 1709973.8840 6414769.8270 5268270.0620 2869658.8850 2683681.1430 6236375.4210 4270196.9110 2126488.3680 1914214.8310 1684332.6020 1448436.3390 2450338.4810 2567285.7340 1165899.5390 1076224.9020 1853763.7770 1956077.1480 1939148.0030 2070361.2500 3800197.3340 3253594.6090 3731090.9750 3463056.8960 2845947.7660 2731922.7070 6168982.0620 6497611.3110 59169.9094 77551.0624 65945.6427 48121.9156 2249218.1080 2280775.6090 2200923.8800 2276090.0790
9-Oxononanoic acid 9-Oxo-nonanoic acid 13962763.3700 15668058.6100 27730691.2500 47184343.5300 17312897.8500 19305791.1100 36745482.7400 32056516.2900 15189385.3800 15288920.2300 28799145.5200 17634044.1900 23991720.4900 11366766.8800 42783130.9900 24527396.9100 14422614.9400 16711914.8300 17577389.3600 17031285.4100 173037677.5000 179988645.4000 55364080.7800 51341715.2400 88253777 91958591.2900 60638360.7500 40763892.6400 167278270 172915955.6000 12957283.3100 10928413.0800 10489797.6800 14389814.4200 40338737.4300 38087612.1100 46752422.5500 37479029.7600
a_a-Trehalose Trehalose 7929527.9700 7895652.0390 5069470.3180 4994419.6580 28233117.9000 24609464.8100 15618085.1900 18872964.4300 15198552.6000 15873147.1300 10114185.1400 8824611.6980 17606151.3300 17995201.9600 9845415.0820 9783321.6250 7033653.8390 5748382.2260 14991768.7700 14078983.8000 19510886.5100 19617567.6600 22114441.4400 23259297.4900 17173562.5500 17649417.6900 36748453.9700 31311677.1100 53016520.8600 61218563.2600 522942.9944 512615.1468 644387.9871 524794.2359 16953806.1600 18652617.1100 18244109.8800 17126057.3800
(Ac)2-L-Lys-D-Ala (Ac)2-L-Lys-D-Ala 2024572.7930 2349412.8750 2240192.0610 2048235.2460 177022.0162 462041.1843 3871208.5660 3995670.2360 5129084.8150 5435896.6410 2226654.8410 2617628.8930 3309318.5870 2650869.8080 4437620.3020 4474293.1610 3695694.9860 4476634.2830 3872758.6720 4766189.6090 10235823.6200 9527344.8390 8173731.4600 8804178.7560 6330552.5740 6753861.0750 3809858.1160 3418769.9550 10265106.4900 11063563.2800 57083.6172 42041.8838 111140.6643 63148.8906 2891925.8130 2889743.1080 3055973.7520 2841718.6440
Acamprosate Acamprosate 3007785.3140 2778598.8200 4304128.6340 3852834.0400 6099400.9660 7725042.9670 6467417.2790 5974733.3480 4330628.8650 4821202.1910 2172485.5950 2336736.1150 3812261.4880 2738509.2200 1826740.8890 2113996.7310 2428058.4740 2634427.6160 1885363.0140 1721186.2100 6351257.3510 6964836.4770 7279075.9280 7085139.4790 2061833.1770 2380138.0560 5552128.9000 4432288.9440 4524706.4170 4676838.0610 84084.8219 73252.2073 73893.9823 72796.4235 2962099.5230 1928846.5360 2836547.3220 2651304.7140
Aceglutamide N-Acetylglutamic acid 9384089.6190 8799288.0040 7442810.4960 6103695.4800 10452458.2100 8979150.2160 9247781.8560 7839203.5420 12136982.7400 11327180.0200 8192852.7630 5243672.0160 13881743.6200 14896570.0300 14434582.8600 11485146.5000 6810735.9840 6111191.3270 10449660.1200 9700884.0110 10620847.8700 16510758.5700 11736758.9300 12239232.9600 16055990.0600 11890182.4500 10369301.3700 11877149.8900 13090257.9600 13829871.8400 194514.4553 55837.7717 54449.7361 125661.8893 13653895.8900 14057185.0600 11576597.1000 14555796.3800
Adenosine Adenosine 166155009.3000 169276374 245684146.9000 259597522.1000 179987218.2000 204443165.7000 423810761.2000 408361070.5000 355961096.6000 366744653 501685098.3000 497969902.9000 822325449.3000 697678433.1000 464038280.9000 441628573.4000 398904217.1000 409104548.1000 562279069.6000 511937961.5000 532739370.9000 526579689.8000 523590045.3000 496442913.4000 999150705.6000 932027761.3000 448742780.4000 459225914.7000 633490113.7000 651352509.9000 1233683.2000 1124202.4610 1609356.5780 1266605.5000 455458779.7000 509133602.7000 465243426.3000 471045207.1000
Adenosine 3^5^-cyclic monophosphate 26334142.8600 26702404.7500 29205727.1700 28567942.9900 23857406.1300 26706049.0500 38572080.1600 38195369.2200 47626492.2700 47789878.4100 49691141.0900 50973514.1000 77165702.3200 57832945.8200 60158234.6000 61557944.6000 82640626.3900 77875472.6200 75974341.4900 72317238.9400 54286513.5100 54909569.5900 53718807.6700 50582679.4000 54815742.5000 53315020.3600 34633880.8800 35195227.2700 63405796.8400 63821016.3600 71563.1532 67658.4781 69351.4728 68515.3275 41777916.7900 43025696.4400 43876635.3000 41484792.3700
Adenosine diphosphate ADP 7514833.9000 95209134.8200 80530934.2500 64949117.8500 72602135.5100 24240637.5900 29081244.4400 20281177.7600 10228724.5700 43193589.7000 107375064.4000 98379035.8800 49477396.1800 71985912.8600 96531506.1600 32560597.5900 259502296.7000 127016545.3000 127433057.9000 69599363.0900 49733666.9900 9649581.7300 2511308.7730 56301596.9200 219509787.6000 164060767.6000 100595125.1000 82837406.8600 90436944.3000 6871566.2550 144644.0126 264256.0447 46916.7259 239800.3252 100284899.8000 221525707.1000 193759502.6000 114998083.1000
Adenylsuccinic acid Adenylsuccinic acid 14589057.0800 8882558.9050 26764830.1000 22595859.0300 133713780.1000 118341750.5000 85601081.6300 88690449.9400 81954782.2300 80604232.3800 18473265.6700 17265431.2500 29279193.3800 20571346.5000 29288799.9200 28314571.8000 47549375.9800 51549197.7000 46209228.6700 40846516.9500 116920836 112102288.3000 85605950.7800 80316902.1900 68514573.3700 63679822.7700 41125912.2500 41543534.6700 147654664.9000 150852505.7000 142665.7739 109906.9398 103905.9528 102609.4325 42092269.6700 46778308.3900 44963061.9800 42947328.2200
alpha-Ketoglutaric acid 2-Oxoglutaric acid 218207872.6000 235381073.9000 399928091.8000 265708273.4000 352778115.8000 292027241.1000 555536081.5000 304713724.1000 388808394.2000 379264021.1000 113480384 139326366 214480732.5000 481228613 272214455.4000 223050778.9000 258043420.6000 374551081.6000 451914312 442859003.5000 500791334.3000 609817706 288918942 287630472.4000 251746707.6000 417473375 476106485.6000 535619958.2000 738863704.3000 526226527.1000 570292.1696 363291.5978 442123.2793 307911.3342 296222471.2000 567269880.7000 486648031 315412507
Aminohippuric acid Aminohippuric acid 5995537.9580 5892204.9820 2783338.7430 2716406.6370 5734156.9600 5692128.7870 5384038.9130 5678180.2470 10652923.9100 10326422.1300 4138163.7170 4322653.6240 8042530.7650 6247613.4380 7555799.0730 7498405.5900 5130537.5410 5408086.3880 5043786.1630 4898333.9290 9342241.3510 8974619.1770 9921510.6520 9783118.9690 7571129.2410 6955324.5910 5223541.3130 4943970.1370 19349413 19981654.2100 43857.9282 77762.2588 167311.9254 113968.6408 5703145.9220 5825355.0960 6134107.5210 5587330.4200
ANISURIC ACID 17735708.8200 16767438.9500 7864992.4500 8739454.5800 8975749.7180 10384221.5000 8589238.6630 9495661.8540 62539313.0700 66333535.4600 17435648.0900 18086791.7900 39205727.5400 32440201.9500 10840588.4800 10396281.0400 14951656.5200 14708466.1500 9132443.9340 8615023.4150 40870542.9800 44054810.3100 37255918.0400 39177344.6600 21732277.7000 17641774.9000 30818992.5300 29151972.4800 66933787.0800 68603555.6400 56957.3572 53548.4900 109670.3435 89177.6477 21505438.1700 22348864.6200 21379878.1800 21837859.0400
anticapsin 1772532.5720 1848324.8930 2390045.2160 2512629.0630 4853936.3790 4507935.1090 3936335.3970 3978854.1340 3363086.3580 3915364.7530 3269552.4010 3039074.1860 4185133.4730 3811737.3160 4279224.6280 4081299.2810 2666182.1170 3074543.9990 3599068.4470 3443998.8250 4168018.5920 4109256.2470 3819617.2820 4205716.7660 4803493.4650 4794375.2830 2675606.7480 2675588.1070 3956148.8980 6702564.5570 166743.6499 52116.6962 192517.0379 171539.1025 2987797.3630 2628839.7500 2888450.9210 2902099.9940
Arachidonic acid Arachidonic acid 257418611.8000 251392031.6000 262421635.9000 302125389.2000 405142782 478740294.9000 377286194 475230334 448553732.5000 457888360.4000 347882696.6000 311299464.3000 419932211.9000 336396407.1000 597493096.8000 632572852.5000 295745344.8000 292828738.8000 342858832.5000 322617600.3000 528194544.6000 413680449.8000 383520128.7000 377119093.5000 568415703.7000 467562138.2000 282988082 207143445.9000 465342321.2000 419788335 2701659.0540 19264971.7400 30940493.9900 21048613.8800 316291118.4000 331219525.1000 287902277.7000 332712172.1000
asn-val Asn-Val 89007.1213 88658.5280 3297300.0010 3125058.6730 10928870.9500 9030049.2570 13265269.5700 13839996.4900 6312902.0150 6319345.1140 5438333.9350 4731816.4010 16660777.0200 13091100.8400 13397740.6100 11770096.9400 12415361.3500 12111135.2000 5373968.8350 5800798.5900 5608755.5430 5401659.8310 6184680.0320 6522927.4300 7215236.7750 6605391.7140 4590375.4500 4355477.0090 11622209.5300 10905316.4500 57083.0915 49173.7433 49211.5037 47011.3843 7083850.2900 6990438.2520 7027348.9440 7067253.6670
asp-asn Asp-Asn 23542618.6100 25453948.0600 25666986.5900 7508438.0940 39105777.5600 48572618.5000 19387236.2400 42982999.6600 30432498.6800 7506820.3270 28748704.4800 33198841.7700 36298413.6800 28871568.2000 28500068.3200 29393044.3800 5988401.7110 34092481.2200 45773515.0800 35743736.3100 35011306.3700 40408572.1400 28134996.6300 40887829.9300 29133091.0800 24476136.2600 22323092.0400 26075329.9600 23722202.5000 17251621.9200 249824.7640 346046.6094 372135.8218 164926.1763 27826220.3900 31704003.7900 35645956.5900 25842286.1200
asp-cys Asp-Cys 461307.6913 511294.6596 1156160.1410 1449816.3880 1739695.3140 2811584.9300 3255981.8260 3406799.0910 2134647.4050 2128944.9650 2787885.5340 2798829.9080 2109541.8970 1775111.2700 3113247.3760 2721006.1860 1665128.2000 1558125.9700 3203598.5540 3193207.4710 2796779.1780 2568933.7720 2263861.2530 2351764.5250 1828081.0070 1855062.7480 1744238.7900 1444432.5400 3231480.6220 3447280.0150 67681.4453 38574.7043 82737.1296 36713.3040 1538975.2970 1451275.7430 1704116.3880 1455095.6080
asp-ile Asp-Ile 3745362.0790 3267318.1140 2270180.3690 2378677.8930 4399626.4220 5897242.3110 4824347.6670 3342503.5480 2263237.2110 2321027.7630 1786187.9950 1912179.0230 5147721.0550 5324491.1970 4550794.6220 5087586.9350 3097756.0640 3508011.3410 2563966.6920 3417748.9320 10598261.2300 8835484.4670 4479549.5410 4780722.2600 4923933.5300 4451052.7540 3249962.8880 3298805.4470 12616226.7600 9310198.5800 105564.3606 91392.1234 93587.1969 86757.2922 3814334.2830 4132266.6640 3786252.3570 3936423.8520
asp-leu Asp-Leu 119555.1372 559314.2235 367436.1593 439011.5862 340971.7434 231054.4411 643790.0330 747194.8578 546596.9915 522074.3259 440379.2348 557741.3866 700921.7774 385530.8288 686702.2374 826415.2218 533991.6730 141175.0794 205081.0707 588197.1417 770270.5285 173147.8030 624857.6761 645692.2464 451938.8251 258001.4263 636512.4810 778897.0371 9360870.5770 7408584.4150 54918.6670 45691.7530 44333.0085 42928.0233 270618.3019 273237.6910 383164.8510 239106.3241
Avenein 1372953.0980 1221578.1900 428085.6353 390545.7175 980666.6896 1043437.0700 478328.1076 399487.4224 1037900.0340 1137246.1530 1247296.7990 1265972.2220 920899.1873 897450.0068 239268.8367 292536.0180 497118.1414 577299.0839 466384.9088 511924.1291 1442645.5570 1454302.7730 1137516.1000 1300460.7430 3892038.0390 3273028.9060 3987171.8730 4427156.7540 34196278.1100 34118268 50629.9214 67787.4913 181814.7046 45555.8780 2329067.5070 2678407.2340 2525469.7090 2386166.7170
Azelaic acid Azelaic acid 89050475.5700 86717033.1000 146893459.2000 152617288.7000 220261978 237899319 184216215.2000 184902204.4000 193972114.2000 197395946.2000 94337482.6300 97172748.6700 134057476.2000 113081753.3000 89551281.7900 82805187.8600 107098087.7000 110477491.9000 105643972.6000 103774453.4000 176193036.1000 182590984.7000 170445032 171502251.7000 172399244.7000 160719319.9000 209953215.3000 218445395.4000 192799777.8000 196556460.6000 27335366.6400 26789095.5000 32578993.9800 31935887.0600 121828211.5000 126123212 124648952.6000 122380114.6000
Benzoic acid Benzoic acid 15732199.3900 20462270.0800 45110431.4100 35336711.9700 17158907.3400 22826530.7800 40082460.4700 36081986.3000 9562641.1370 28845234.9400 30521159.5000 46476891.7900 30188267.6900 23075571.4200 17970092.2800 53646452.3300 14780731.6100 10062205.4800 20171853.6400 9798432.0110 29283536.9100 1697283.4010 43581705.2200 39644671.1600 22785638.9800 39826899.1300 5757009.7870 14310554.2100 16516315.8600 13273967.1600 3975903.2310 3926025.6160 9183537.2740 11731878.2100 12927438.9400 12927438.9400 7960219.3490 19086067.5300
Bergenin Bergenin 1455216.2950 1520906.4410 295674.6310 549532.0896 182963.5875 247579.8517 119644.9835 126209.4143 439730.9911 400249.1724 102114.2716 118321.4148 118812.1875 285639.6416 465305.9180 1354481.4940 675878.5039 74231.9835 526445.8049 316463.3658 155240.1932 160520.2484 160484.1599 196033.6691 151358.4462 207872.9782 1916428.3290 2469047.1330 11675716.7900 8507680.6340 29193.1407 32239.1091 39465.6102 51345.8597 100509.1745 1172390.0500 1755154.8270 1075001.5600
Butabarbital Butabarbital 361438465.3000 356437186.3000 257173949.2000 257174043.2000 17773605.4400 16165074.6800 445177946.7000 430315691.3000 547736066.8000 547286724 487490922.4000 468033841.3000 628807215.5000 517795068.4000 515824459 505391336.4000 968325839.8000 955611429.3000 766813909.5000 718107055.9000 784099709.4000 830368249.4000 751547140.9000 716783685.4000 678199523.7000 638283637.8000 423134987.6000 409428672.7000 1046889797 1055727568 7166902.8530 9654738.7090 14542705.9100 9170061.0910 517909312 557146598.7000 573018074.9000 516332806.3000
Caprylic acid Caprylic acid 11880409.9900 13252839.0100 11268347.0100 13448074.2400 15270565.8000 15940319.0300 17571051.5000 15790413.9100 10517486.1400 10765183.2600 13423233.2200 11481055.9400 11755665.3100 9330915.4130 9400630.8910 12421631.9900 11950481.6800 12702482.2800 3091950.1050 20544392.2600 13959502.9000 2008300.9160 15778986.3400 2904265.9260 14843692.0800 13573941.0300 12603672.2300 14163488.9200 17517609.5300 15243307.4000 8128921.4700 8429891.1970 8854986.8050 8320989.0090 11101237.5100 11270425.6300 13106035.8800 10610929.7500
Capryloylglycine Capryloylglycine 1384572.7750 1383243.6070 2038935.3040 2572429.8130 2143900.7790 1735147.6660 22553892.8700 23074886.1600 5541035.5210 5787127.3770 2023911.3820 1649275.3930 2612218.4760 1981818.0750 2508654.7350 2008394.1640 1381872.3170 1333415.2270 3666081.5570 3282997.5490 2968139.8790 3144997.5470 3640246.9810 3121254.2720 3874709.4220 3219726.1680 1585602.9530 1558585.2810 2527976.4770 2465097.9270 56963.5718 97642.2029 149795.5095 81221.1396 1826408.3560 1830714.7960 1887787.7250 1808688.9120
CAPSO 19222317.8600 20829742.1700 2607175.6520 2786917.3440 10466224.7300 11440219.5300 6049281.9780 5908986.5010 30721782.2600 30861211.1900 4883581.6110 5882096.3210 2898574.2800 2458893.9380 3353177.7440 3675461.6250 4660963.6060 5234441.0260 8949189.9460 9123747.9440 16055360.5300 15523122.8600 8979291.0460 9020698.4620 12245604.0600 11112664.6400 8787045.3360 9422647.1380 32669911.4000 31468311.6000 180830.9715 140174.7639 157459.8969 39070.4049 7261450.7930 9056847.1530 6945687.0480 7962463.2300
Cholic acid Cholic acid 702549.3734 277983.7843 1306695.6260 1134207.6650 148726.6080 211498.6528 161835.1993 546523.4870 532888.5275 2888625.7280 9551569.3300 9331832.2090 12303193.0400 9853989.5460 570486.8766 895379.7788 1867113.0770 1744155.8340 356458.6681 371993.8834 28449506.1600 29001826.1200 30316208.7400 28264131.0600 16594890.7000 13622729.4200 5523846.0710 5675195.5440 25564137.1100 25235676.7000 215448.2214 194623.1179 196759.7372 206299.8793 5710181.6210 7392549.0730 7261376.7120 5781526.3960
cis-4-Decenedioic acid 4Z-Decenedioic acid 304043.3689 513264.7733 2177483.0610 1683072.8570 420265.0402 292079.6740 1146221.5690 1005360.7900 952360.4552 993226.9714 929511.3194 873225.4295 1754987.2000 450078.6343 3212925.6100 3320162.4010 336845.6047 444644.7534 996649.1714 755115.3235 5663652.5650 5590155.1870 2539410.5540 2404053.0250 3489122.2920 2974399.8970 13210676.7000 1649041.6400 2565773.3900 1575316.0980 661898.5339 557295.8433 911880.2772 1005738.2980 944373.9449 1006392.2770 1231529.9080 835824.2398
cis-4-Octenedioic acid 1668312.9280 1651215.8300 2068121.8250 2299648.0520 2450704.4170 2932548.2100 1228097.6630 1275859.4010 1318482.6570 1418456.6650 807316.8911 887751.8197 1984241.0900 1548304.5140 7557612.9090 7150712.6760 1343118.9240 1615162.7640 1781558.6060 1777427.8990 6674159.2590 6689144.6660 3472214.7980 3420694.7270 1686813.2220 1739361.9270 1460446.5310 1299881.1330 4909702.8830 4848598.5800 1104445.0610 1213512.9210 1331149.9640 1424602.8880 1782658.6670 1715132.2530 1874820.1270 1727603.6730
cis-5_8_11_14_17-Eicosapentaenoic acid EPA 1343356.8630 1297395.5800 2202713.0530 1969773.3220 4164668.5620 3684528.6350 5338449.9200 4918375.4190 2183248.3290 2225432.7890 3013194.0750 2791653.9100 3252056.1320 2343686.1490 7578021.7480 6554607.1010 2132014.2770 2087561.8560 3268767.5750 3026032.7390 16765308.9400 14659301.5200 4458187.9460 13262270.7500 14582125.7600 12129611.4400 4315557.0620 3801395.5910 16094699.6200 13448910.9700 12989.9897 44790.9897 42228.5635 50719.3442 4142969.4700 5302564.1710 4673516.6400 4384799.7620
Citric acid Citric acid 269589390.9000 284732319.8000 478772875.9000 360567837.5000 453417666.6000 213085257.8000 671237227.2000 437232445.9000 479664550.8000 465967578.6000 280123701.4000 305075947.3000 360077029.5000 608417807.7000 410587419 333276146.7000 304517883.9000 408407025.9000 723411076.3000 684004760.4000 583301152.3000 695678033.9000 339435154.2000 343254205.6000 523328326.2000 490001466.9000 507376506.3000 563460335.5000 795709266.8000 704942441.7000 421790.4108 267567.0738 214828.4458 233871.9145 309809885.8000 582638424.1000 502373228.7000 328886558.8000
Cladinose 524519.2598 706601.4448 633895.2481 525903.1781 1467420.6120 1636203.4490 2003848.9220 1913840.4110 634337.2044 727529.3359 670560.5897 578464.5295 623409.3173 462797.2776 554897.8738 691830.2429 322138.0821 292023.4199 1006680.5270 952477.3390 4071723.4900 4354446.7320 2712654.2250 2576828.2250 4191669.3760 2960898.2080 1156509.2150 1239296.8310 2917598.9700 2253093.8200 311161.7987 164482.2742 178988.5903 171380.7530 1248874.9700 1257675.5290 1351027.2500 1215888.6680
Creatine Creatine 15330817.6800 20113564.5900 16029177.1600 17617576.3100 25957648.2000 35174444.3200 22591472.7800 34070238.6800 22252467.4800 23954293.2000 18367954.2800 24056573.1900 37575991.9400 39917337.0100 31429603.2000 33521961.4100 33632236.7500 35481206.8600 21778741.9600 22150026.6800 22997473.6500 25772703.5300 29556376.4400 18440979.3500 20600242.1500 19046418.0500 13211223.8100 15593887.8800 19760100.0200 19032627.3600 104934.4915 301381.9226 141022.0825 169121.3584 21990838.9800 16721666.8100 25335528.9700 18942469.4400
cyclo-Dopa 5-O-glucoside cyclo-Dopa 5-O-glucoside 2883455.9960 2964584.8170 6880886.5450 6397326.9900 3227724.6470 3335290.5810 12192176.1800 10488599.6300 2733130.6160 2962053.4310 6291641.4850 5957277.8710 9875533.9590 12506198.1200 7382807.1940 7922201.9820 3342207.6920 2960865.7950 2932869.2010 2911688.0220 17223079.1000 11385588.1700 10251563.2000 9656303.4350 7204325.1840 7093882.8990 16792932.5200 19473913.9600 10685388.9600 10471790.0100 158508.7656 133846.5861 177375.4479 134115.9127 7865344.5080 8051987.0250 7935905.5200 7914230.6850
Cysteine-glutathione disulfide S-Glutathionyl-cysteine 12692531.5600 9488059.7390 15769300.7600 13421990.6200 7036022.1420 6048601.1360 4990624.0430 11582052.2200 6995218.7400 8966331.9170 2086261.5680 2401112.2240 1486432.6290 1598263.0710 1846788.5300 2418772.5640 6276152.1190 6318959.3900 2971200.3490 3479176.0990 19910365.3500 17616257.3600 10597432.8800 17592551.9400 10583495.0300 9177899.7400 16627394.1100 11124749.8100 9372093.8040 18897710.9000 55591.5777 66448.0591 96571.4230 122891.3423 8154341.3380 4762039.0630 5061075.2880 9399984.7230
D-4-PHOSPHOERYTHRONIC ACID 11158847.1200 11853997.5900 10218172.8500 10798246.3900 6720932.7470 8713919.6350 13163619.4800 11412104.5200 10859514.4400 10996673.7800 18665450.6400 15936776.2700 13558016.3000 4923482.4060 16996047.9900 7338869.3150 12413409.2100 11748266.5600 7383841.2140 12385999.4500 10963547.3900 12170806.3600 8638879.6620 13835467.5200 9534578.6510 18662040.8200 11874117.9200 10783049.4100 13430039.7700 11925552.6600 76138.7271 70888.2764 72456.3342 195892.8268 17005515.1700 10636217.5800 14415155.4400 15774852.2600
D-a-Hydroxyglutaric acid 201110627.6000 209603380 164861612.9000 141542990.6000 217421300.7000 238928352.3000 192042728.3000 179441674.9000 214963445 248655406.3000 182541689.1000 130202462.4000 190756833.2000 176800311.5000 219511804.4000 226991430.5000 182931090.8000 171375337.6000 207622845.5000 224055854.4000 227137619.1000 227954246.1000 192397060.9000 177484703.7000 237928361.3000 226963586.1000 209406307.8000 152761187.6000 300665065.6000 234640671.6000 1400050.6600 2303166.6960 584837.4506 1021155.9000 195837422.7000 176993866.2000 194678156.1000 189032737.8000
D-Alanyl-D-alanine D-Alanyl-D-Alanine 677050.7238 726947.5270 1499097.0200 1867726.9640 1480056.9590 1154252.1000 2319340.1830 1841923.2730 1219382.8390 1389688.2500 2797456.6120 2383432.0640 6214057.6970 6660121.2280 11090554.4400 10296181.6200 2078475.0920 1867531.4160 2478500.8270 1901447.7960 6575572.4820 7005079.4500 2699762.4280 2416324.8120 3352397.8170 3048671.0730 1033894.5480 1126563.0690 4797473.0740 4920987.8700 53645.6975 95350.9607 54471.5509 76762.7109 3751491.8160 4193720.4190 4648435.7300 3565351.3170
Decanoic acid Capric acid 11425369.1800 12132632.8300 13463774.4200 13179472.1400 14077661.5400 17248310.1200 14396558.7000 13879217.6400 13665899.0700 13226616.4800 12571958.7500 12109446.8000 9145125.5890 9667333.1750 11098079.0100 11911829.2900 9954181.4560 10941187.1700 12422251.8000 12643800.2400 14110064.6400 13427599.5200 14775457.7500 14167098.9400 13477049.6700 12449730.9000 10848084.7800 2860815.7820 17044510.6000 15314541.6700 2951676.1780 3366030.9200 4059849.3070 3376952.6350 7302683.6440 7658089.3500 7687695.3310 7294941.3550
D-(-)-Fructose Fructose 294886786.3000 275766034.2000 309769265.3000 283159173.6000 393581449.4000 474485232.8000 208885154.1000 285094072.9000 334807286.2000 385418135.8000 187464442.7000 189912322 154855518.7000 136323833.4000 299609237.3000 355584354.3000 225917507.6000 198495586.8000 409721448.8000 306559208.8000 199152356.5000 147586578.1000 250596558.6000 279552831.8000 320413354.4000 259976550.6000 220712112.9000 218242158.8000 295101870.7000 255747671.6000 6000530.9570 4190675.0780 6390424.9820 9415822.0650 264885285.8000 198066765.5000 220150551.1000 270430682.2000
D-Gluconic acid Gluconic acid 28521335 34083574.2800 27243848.3000 23001055.5000 33709382.8400 35038552.1600 26359077.8400 26290491.6300 36993185.9100 32770426.8700 25479479.8600 23189234.3600 28777283.7400 25877131.0900 21331712.8000 21530725.2700 43145069.4200 37134657 22185033.3500 26192278.9100 43457257.6600 31434289.8400 33872743.4600 34773972.4400 38459935.0500 45049614.8700 46025584.3300 30236602.8900 56296450.3500 45820539.9600 701631.7859 1916578.3230 1952329.0970 1308630.2020 35261958.4000 25732098.9600 33525799.1700 32287115.5400
d-Gluconic acid d-lactone 64168284.1300 58745333.7700 34468404.9200 48811355.5200 129545459.9000 131329148.7000 53989059.4300 52784919.1800 95691389.7700 111977367.7000 38845683.2200 33370901.0500 30532502.7400 32918960.8000 79792715.2200 75799308.5900 50152058.8500 59235279.5700 90271397.4600 91499573.8000 42245359.2200 46091533.1200 68244405.0500 64597924.6200 65391876.2100 66236072.0500 34038991.7600 51251757.1900 94198266.6700 87285062.1200 462199.6232 437498.5900 414287.8185 370620.1967 51235956.8900 43015296.7000 49124911.3400 48663982.4600
D-Glucosamine 6-phosphate Glucosamine 6-phosphate 3048112.0880 597520.9508 2654453.4640 490693.6441 5533508.7640 3446217.4650 3322596.0240 2846882.3180 5126543.2620 5441857.2390 4587860.7210 4242653.2100 4006272.5160 2223202.3980 3827084.6250 3585992.1040 414937.6608 741178.9793 3327380.3880 2484756.6360 2532790.6340 3425077.7850 5381169.8140 5149870.1800 5144478.8630 2661252.1390 347388.9867 954257.7744 4895006.8030 4314927.7680 26449.0640 67431.0430 25987.2427 295901.2768 4578296.4490 2261279.1460 4336937.3490 3903766.7470
D-Glucose 6-phosphate Glucose 6-phosphate 74549719.1300 76492150.2700 89484426.6900 93970662.7300 88243935.9600 93455620.2300 91916185.5000 98023894.0600 84952513.1300 82302832.4700 84872763.3900 81522552.2000 114207457.8000 112580992.5000 109054801.2000 99447055.3600 105186365.5000 107726103.4000 101564513.7000 94936301.2000 124594714.8000 131028314.4000 112476704.3000 115421819.7000 131759203.2000 126558148.7000 106139908.6000 113598293.6000 121265320.4000 123433310.6000 1120522.7790 124443.8396 914113.4910 1414792.1370 99722049.9900 97805847.7300 92682465.7400 101310143.1000
Diacetyl Diacetyl 4890425.5600 3585437.6290 6224910.4230 5573221.1640 8650022.9080 7497784.7750 13264611.1000 13875313.4700 12140100.2800 12390823.2400 7446846.7350 7578995.9340 4869390.3560 3447653.9380 7119396.1000 7025219.6660 2709034.1520 2712408.9920 6053284.1220 4985063.4770 33791260.2100 30671705.7100 20417650.3900 21912386.1600 25208266.7100 23227255.8500 13157463.7200 14380851.7600 23564694.1500 23764543.7600 253114.6107 529946.3204 442542.0877 1310842.2620 8509691.2050 8770622.2220 9442760.6930 8273866.1300
dihydroxyphenylalanine DOPA 2761266.7780 802521.7417 2638903.0980 2517723.9950 6580420.4800 3974042.4880 4368938.9030 4469463.0710 4241807.8060 3644795.9960 3386957.8210 3564998.2040 3147152.7520 2627210.2070 1259678.8160 520745.9566 2829153.3800 2529203.8400 2805980.2280 3428842.6110 6049983.9130 6747521.6360 5880879.3130 4766030.2420 5843419.5880 5226535.2350 3820516.1080 3446480.6740 6420612.8170 7672440.3750 120360.7283 75755.0431 61292.3680 208009.1739 3731898.0260 3867398.8810 3266741.0530 3938604.3430
DL-4-Hydroxyphenyllactic acid Hydroxyphenyllactic acid 7052014.2670 6614549.1830 3953112.5910 4055222.7510 11985015.8800 12733680.5000 23367264.6300 23624989.4200 11679141.6300 12025487.8100 4620450.3810 4735379.1580 5049446.0440 3900388.7390 5692244.8590 5810053.5100 8418933.7230 9332527.0170 9037045.8190 8722726.1220 8764649.5360 8424584.9950 12627087.7300 12865345.3500 9873848.1420 8770332.5350 6263923.6210 6379579.8550 21673608.2400 22087841.0700 480781.4073 540104.5952 255156.5083 548279.8868 7313273.5740 7305027.7940 7385918.7660 7284865.5640
DL-Alanine Alanine 24964757.1400 23640908.1800 18742120.4800 18262634.3900 33547706.5000 35223449.0100 36698263.6000 33181501.7700 34138369.9000 39770051.0900 30773799.2900 28029719.2000 35695143.7200 34626067.0800 22818245.6200 24432187.3500 24605096.3500 26722938.7700 37597248.6200 30290845.4700 33331479.1700 31810828.8900 30010808.7300 27451340.3600 34408682.1100 26295445.3400 24226470.8500 23958306.2100 42283446.5900 30859149.6800 148831.7613 141505.1632 1800547.3870 1629685.8160 28984213.1000 27687952.7600 31039192.6100 27839973.6500
DL-Cerulenin 58621.8468 77129.1688 242507.5641 257679.5094 55561.7342 110820.2985 158273.3940 162687.4640 119008.2484 56635.8649 111361.5360 117848.0895 555382.5731 402077.5712 747805.8182 676630.7340 515830.1492 567474.6417 494975.6151 492481.9332 3367005.9000 3360290.9750 2002968.7180 1891119.1960 995011.6115 855345.6971 515074.7355 571375.8683 263463.8416 319616.9861 50861.2733 37127.5841 42751.0746 49266.6022 454279.0476 463509.3052 552766.4154 421740.6194
DL-Glutamine Glutamine 9358060.5450 179213798.9000 166314732.5000 164433114.8000 248481431.9000 233483557 211074990.4000 195525765 202530004.9000 226162220.1000 141786765.4000 135433911.2000 165738949.8000 171369857.9000 184258561.8000 188019456.9000 149594473.9000 176235549.2000 154747218.1000 200905336.5000 311325944.7000 328372751.8000 267691449.6000 239922964.2000 298324640.6000 241399085 234127918 210254062.9000 293225053.8000 319325727.6000 2923267.8660 2534477.0370 3514448.6730 3226783.1170 184432637.8000 177237455.1000 52152397.2900 236575081.3000
DL-Lysine Lysine 11566438.4000 12348171.2400 9736467.9480 10071477.9700 12459215.5600 12302820.0300 26737679.5100 22130817.8700 17019034.9800 18947461.6100 20313303.1300 25965062.4400 42867788.6600 34787423.7800 25294507.2600 24900419.6100 15112255 9394401.9850 17822214.1200 17036589.9700 30606280.6000 31863376.5100 22810865.9000 20902424.1400 28218676.4300 23693786.9400 16091481.6900 16613839.7900 31695160.4500 27540004.5000 126402.7784 139354.7935 132781.8421 169378.2432 21337398.9600 18448728.6600 19468556.3200 20960445.8400
DL-Malic acid Malic acid 167281171.5000 109730103.4000 121763443.5000 104788236.6000 331765062.6000 158674765 212727512.4000 188221609.7000 54028049.5400 53749315.4100 95889428.6700 94893537.4100 106714472 128432611.5000 132030657.9000 145438757.9000 109000948.6000 95083943.7500 87872095.9000 108056874.4000 218756353.7000 252003578.4000 213702528 125815538.8000 237465355.6000 215420740.3000 40465500.7400 652842336.7000 172786842.1000 222428148.4000 17944683.9000 19686248.0500 17940896.1900 20386382.1400 125073964.1000 128311088.8000 146330762.7000 117771426.1000
DL-Mevalonic acid 6644796.4270 5518909.0130 4412309.5670 1823253.5820 3839021.2030 4790169.1490 6626780.1890 5008121.5130 5657368.4570 5428431.8790 3292976.9660 3530246.4410 3158048.8360 2706863.1820 3434847.2970 3793414.2450 1718446.0220 1702245.1760 5253965.1540 4901710.0270 4696419.4750 4758781.5860 3629267.7230 3815170.7250 5498279.3780 4671941.1170 3215227.8890 4260239.5410 9038736.1280 17451465.0100 327247.1789 327725.5917 332050.9077 438928.9450 3204872.7400 3603868.6210 3485440.0200 3268242.2130
DL-ß-Leucine Leucine 450118319.8000 411204031 706668500.7000 885757723.8000 831118872.3000 515016259.5000 746029702.4000 764213457.6000 755248616.2000 692661980.6000 695727026.2000 765680432.2000 465593521.1000 605168965.2000 1053262779 1012232855 575988020.1000 422208458.3000 673291653.4000 689958905.6000 866664855.1000 921857579.9000 773816941.8000 1026023752 1118385859 1361024281 536199452.6000 51389123.0400 865198220.7000 1224549125 867280.8113 559959.9864 983158.1260 1917801.4540 840435857.8000 1006093721 494379861.5000 1105000812
Docosahexaenoic Acid Docosahexaenoic acid 13407393.0400 13055766.9200 20518429.7100 19994821.9100 40119132.6400 35267931.6400 54910470.3200 43680730 32182194.2100 30292435.6000 26107221.4000 23228367.6300 31947737.1100 25262724.5400 41667513.2200 39390915.5800 17529398.3100 16074413.1300 26408379.1100 25162831.7200 57677837.5000 42116177.8000 44267194.0300 41249405.8400 53692044.9100 39387654.9200 22096816.1500 17619306.1600 46672351.8300 38888504.2700 74108.4079 441967.4157 581279.8336 829713.0451 23374956.7700 29420105.5800 23652847.4900 25290289.5300
Docosapentaenoic acid Docosapentaenoic acid 2363929.0940 2251879.6560 2935509.4270 3642351.3320 6168834.4520 6595063.9990 6274753.1340 6424942.7280 4021698.4870 3701118.6970 2553465.5290 3613970.0160 2718314.5020 2372511.6360 9223430.9480 7589990.9880 3115449.1990 2060447.3870 4033068.7610 3512093.8680 14792553.8800 11966658.9800 16656096.8500 11557997.1300 15103691.9500 12350789.4400 4285107.5840 3927901.1140 12570125.5800 9671952.5510 46122.3888 130964.8710 105635.1591 115052.8997 4158627.7380 5971600.0600 5451835.5400 4201316.4810
Dodecanedioic acid Dodecanedioic acid 7954256.3970 7549561.8560 8336807.5280 8069201.5620 9642976.1800 10240828.5300 10508203.5600 10369376.8400 7813081.0050 7645471.7170 6217448.4580 6607302.0200 9201352.3490 7905857.6880 9385735.9210 9132812.0920 6500290.2700 6877790.3480 6444374.6090 6035641.8630 11523646.1900 10752278.7000 11516975.3200 10884562.5400 11048486.9300 10846203.3800 17186539.6300 17550198.0800 12899286.0300 13107362.9300 1226835.3720 1339642.6600 1535275.0730 1323729.4820 7480834.9650 7935993.0730 7949015.2370 7500087.2820
Dodecyl sulfate Blasticidin S 647945290.2000 485185063.6000 890849001.7000 696551564.3000 1544908706 1491945652 790107383.4000 721662358 884860972.8000 796798271.1000 2153389272 1942781811 3023387637 2168799665 3922684274 2787872403 3064978943 2946577092 2469128098 2345563450 5789780613 5282269418 918545234.1000 857831059.1000 1918213800 1469975666 1987968349 1910747662 1753428500 1580280602 39530610.8800 31164001.5000 28611440.1800 56204383.3500 1129772462 1191785373 1195891084 1129363395
D-PANTOTHENIC ACID Pantothenic acid 120586.8982 115977.3505 244111.9040 964516.4599 475001.4622 765326.3740 1178838.7470 817875.4786 421641.6834 407169.6055 806745.8558 988984.2166 1077220.6520 1054675.4470 2817239.3930 2866371.4630 588125.5837 573904.6730 1767654.3980 1606014.3930 4326920.2610 3860912.3810 2367931.8500 3283775.7490 2227311.9400 1781483.5910 2814043.4790 172183.2348 4345525.0890 3453810.5510 50985.6243 47488.4428 48203.6873 58237.4336 1152170.6100 919084.3243 968898.4467 1136825.4290
d-Ribono-1_4-lactone 26222224.1100 29166718.7900 77089424.5000 82585906.7600 79244410.1800 79448061.7300 108869786.3000 109497934.6000 63225556.0200 68937419.1500 135571192.9000 129761651.2000 128822967.6000 97249826.9000 113671046 109452984.7000 52952146.4800 55624954.6200 132251170.6000 112354391.7000 359355970.5000 357119322.7000 292222165.8000 317493771 286319701.7000 262440814.3000 145430898.5000 141634756 241670661.8000 253177931.3000 203257.9575 922662.0659 819719.0931 827582.8971 118816806.2000 123219464.2000 126358334.3000 117805264.1000
D-Ribulose 5-phosphate Ribulose 5-phosphate 61022994.3400 73976702.8300 58334909.8400 31695349.2300 85083492.7800 93130548.0500 70143058.4400 63974828.6800 79523943.6500 70192174.2500 53612798.2600 49472483.4200 79328367.1800 69620311.4000 63200951.3200 58627369.0600 52183782.3600 53816413.1500 55119774.7100 51527471.7400 69150348.5600 71006548.2400 56933990.4700 59650655.7100 77680490.2500 66334446.9000 60022010.5300 60872884.6000 77173049.9300 79512621.1800 1307738.1960 1476095.2660 1927583.9120 2793190.8020 62601405 62824901 70074083.5100 60349251.5800
D-Sedoheptulose 7-phosphate D-Sedoheptulose 7-phosphate 13771773.1500 13360569.6100 20881557.3000 21027898.4700 21367412.6500 24213659.5200 21617693.2600 23082342.4700 17065325.8300 17114197.1900 14252966.7900 15153200.6200 25394393.4600 23291804.2600 25359490.9100 23549739.9500 13393426.6600 13602003.5900 19229213.8500 16684970.7700 39403553.2400 38356204.5400 25455681.8700 27516697.6500 36268155.8300 32696256.6500 27164579.5500 26467329.8900 35267920.4600 34347011.6500 110219.6161 54069.9202 128301.7038 194837.6607 22126614.2000 19654313.6900 19899379.9400 21973894.5700
D-(+)-Tryptophan D-Tryptophan 379958600.7000 397077151 320337053.5000 336864226.1000 718060578.2000 755909196.1000 536492460.1000 566783066.8000 534686178.2000 580932754.4000 476262766.3000 503433428.5000 614482356.8000 544464131.6000 572722790.3000 568211780.2000 562201250.6000 556318580.8000 648126364.8000 620085160.3000 559443665.6000 556614353.6000 611997851.7000 605750375.8000 665080983.3000 637013806.8000 403253966.5000 420724914.7000 745787188.4000 770454506.2000 619735.9293 757954.2657 749351.7768 592010.1175 483818962.9000 489549224.8000 484928991.2000 485441608.1000
D-Xylonic acid Xylonic acid 21387599.0700 53074873.0300 10827612.5900 37236401.7700 22327443.8700 80324720.7300 4241901.7300 41060689.1500 12838127.9700 52007337.0700 18810275.7000 66338140.9300 13665590.4700 44443668.4400 12173509.5100 48808378.9100 12017980.3700 46155728.9800 18349361.5800 56866581.3200 11973932.5800 49013382.6200 12891627.7200 56367755.3900 16440918.7300 47828584.1900 11278913.6300 36564060.5200 8462883.1550 38819302.3400 15974635.2500 14685372.9100 16995773.5400 17940539.7600 111204258.6000 117670508.4000 98430656.7500 117599450.9000
D-Xylulosonic acid 2188491.0720 3114558.0510 5918570.5570 6669818.7200 2672278.5760 1654276.0010 3698239.0610 6164976.3700 5559147.4200 4180776.4790 6715272.8120 6139496.5570 7355544.0050 7754938.9770 2851785.8720 8513205.5600 3660937.9910 2904830.4220 8695866.6760 4253278.2930 4899518.9250 9210093.3730 7832431.5770 5884654.5320 9452254.8670 13386692.6900 8922909.8800 10115867.0500 8061217.0420 14468481.2800 110153.0822 212818.4561 352150.8914 805398.4986 8504739.1430 7208811.7380 9759476.4340 7636105.3250
(E)-Aconitic Acid 48075396.7800 56357473.9200 88251871.8000 89199443.8900 100820697.2000 95407075.7300 121918506.5000 138088805.2000 91803097.3100 95660223.6500 163120085.4000 162555270.3000 144353000.4000 123231189.1000 138570401.8000 42716057.1600 42761341.2700 37036443.8300 265862597.8000 245148213.3000 91041178.2000 95869264.5000 37751413.7600 38554617.7500 97000572.6000 81498390.0600 45576484.2300 40236284.8000 51658613.3000 163866045.9000 54143.4532 52406.2964 54317.9156 54605.5370 6489879.8640 11604258.4200 9204982.0590 7084761.1050
ent-Prostaglandin F2a 4927713.8660 4884989.7440 5865980.9460 5671760.9840 9741890.2900 9253014.2580 6525889.0570 6337229.6610 11658533.7800 11473084.0300 4280757.2150 4178488.0520 5738234.8640 4310848.9320 6793838.8790 6760174.3540 3385188.4680 3317413.1670 7228147.3480 6895098.9370 3809576.1590 3630249.2930 6370237.3860 6449461.2300 9721156.0250 9098010.5650 3538800.9410 3516592.8870 6375469.6140 6057072.7920 51156.8570 36519.1260 40801.2296 44752.3537 4798394.6280 5042332.3600 5198684.3430 4751498.8730
Erythrose_ 4-phosphate 68311869.1100 69567164.5900 83101621.9000 88208648.5200 81134284.0500 91410824.6100 84499092.4300 92399691.1800 77637127.0600 76406445.6300 69421497.3800 66587229.2000 102126729.5000 97035975.4700 92124461.6600 89211884 92242024.5700 94980517.2100 89076101.6500 81134462.3200 118489679.2000 123589185.7000 102834476.9000 106617400.3000 128362333.4000 121947569 103482972.2000 104090661.8000 113617120.5000 120046238.6000 255880.3838 68277.6654 641419.1454 63713.6405 88270905.4200 88427183.3100 83360115.1800 89895598.4100
Ethyl 3-hydroxybutyrate 4644661.0740 5180310.3430 22084955.5100 22071519.9600 8430505.3110 8176927.6470 8106541.7820 10845071.5700 4922909.6970 5126099.3960 5315867.8760 5931505.1670 5563514.1520 4666476.3850 24065009.0400 20424778.7800 6734676.6910 6657006.6400 7340429.6580 6196410.1400 20602577.6000 16130450.1300 20754757.7000 14662915.0300 20582256.1000 26797691.5300 8426371.4800 14604172.1300 9368641.1770 9701187.7080 1965491.2210 1819587.9390 2746155.4990 2681740.3470 6867326.4740 6699715.8630 7093681.0640 6732857.8550
Ferulic acid 4-sulfate Ferulic acid 4-sulfate 2053738.1020 2186371.5810 2534797.6050 2464897.3310 8988170.4640 9444862.3800 5737001.4070 5306499.5550 5009414.6980 5448656.6510 2427814.4510 2435611.9920 4676186.7300 3709589.3350 377572.3800 389152.1613 2446130.8800 2596713.9340 3433846.5350 3067127.3100 12542530.2000 11942080.5400 9599878.7950 9008311.9440 43977301.6900 40632592.5600 3939959.1160 3845834.1640 78059555.4500 75047741.8900 32009.9612 31480.7997 33399.4329 34325.0358 8879433.4740 9341151.6350 9242328.6430 8902844.2860
Flavin mononucleotide (FMN) FMN 7557502.2710 8017229.4900 8977457.4390 8800242.8580 17793560.5600 19272511.3700 22761986.4200 24423387.9800 10482358.3000 10643137.9500 8906404.4880 8547762.2020 14306132.3400 11151304.4500 9314067.2170 9148764.2560 4774483.1940 4863896.5070 9271562.8750 8761922.3640 31549198.1000 32042071.9800 21587169.0700 20786345.3900 33103637.7100 31206367.2100 21164948.1100 21670172.3400 30772934.2700 31338006.2300 33289.8552 90885.6607 66387.9547 86203.5737 12442608.0100 12439336.0300 12442796.5200 12441442.2000
Galacturonic acid Galacturonic acid 63311743.4200 75110477.3500 68791441.0600 45380664.7600 88739977.6700 102025968.2000 77346554.9500 68363683 88743462.5300 79348989.6000 55526650.4300 54221538.4900 85859060.6900 83376081.1900 65212981.8400 66626392.9000 50965170.6000 59226566.0300 55847000.8700 52629692.6100 82408888.6700 83201456.2400 60902708.5100 70318884.8500 88048461.9200 78008012.0700 68804875.9400 67183826.3500 112460345.2000 102867272.8000 1803514.6540 1713708.5450 2744365.0930 2470522.9680 65570824.4500 106479787 77565776.7000 75656483.8400
gamma-Glutamyl-N~5~-acetylornithine 1888932.4620 1918578.7670 3581271.7770 3178964.9450 4282735.4520 4595153.7830 5937124.7490 5887261.4700 3546614.2180 3201595.5400 6346831.6610 6038032.1290 7074140.3840 5639497.4630 8234163.9240 8424356.3630 4097122.5970 4257653.9890 6867521.2270 6599652.3150 13871594.6200 11201794.3000 9882746.0690 10018980.1300 8651404.3030 9725986.8230 6195403.6470 5964293.8800 11761609.2000 12674607.9400 108073.4397 101712.8727 101643.0532 99845.1217 6057047.2000 5870457.3980 5780393.0190 6075187.4840
Glu-Glu Glu-Glu 6113327.9860 8095676.6040 4131141.7500 4850265.8860 6396883.4170 5704794.1150 8050759.7160 6289274.2790 4272608.9360 3018983.5750 7932930.8050 3234352.3840 3270579.1900 4806599.9320 13856583.2000 13391416.7700 9602980.4270 5586275.9860 4206593.4430 3878451.6770 3389484.1930 5672398.1090 3447744.3910 5449352.6000 5022252.6870 3487680.5890 4583221.8280 5047348.2650 7390486.7440 5760626.7450 72291.4729 138839.0662 73075.5409 75887.7207 10352918.4700 16297227.8000 16534160.9100 9827012.5590
glu-leu Glu-Leu 146278.2332 74899.9274 248916.7894 209271.1047 636024.9824 649753.1867 795312.0696 584019.0480 621534.4468 653044.9126 801429.7374 763873.2317 978707.0145 787088.8222 1342229.0770 1108231.4590 682381.0788 621270.0768 842833.1984 746035.8095 675649.2479 806847.5291 736393.8810 730874.0285 1345654.1860 1262393.0490 1207937.0480 1230665.7150 9960108.4450 9911442.4610 54819.5999 65934.5721 123025.0758 76172.7305 983616.0512 902891.5747 876995.5317 988637.3294
glyceraldehyde 3-phosphate Glyceraldehyde 3-phosphate 23826368.9000 22709267.5700 29141069.4500 31064778.0400 79763444.0200 93365077.3600 48064525.7300 51237379.5200 46367350.1600 43118346.9200 17057282.8100 17885717.1700 29675496.9900 28702985.0400 21161055.8200 21413337.4900 36892266.9000 39043445.7900 27109816.5200 27430409.3100 56077941.1000 59999127.5900 45151611.9400 47114776.8100 49391144.5500 54641933.5900 38122741.8900 43342787.0900 74286090.7100 86321008.1400 250344.2847 120619.2750 465377.7087 258345.4855 26409501.2100 35800086.8200 34447673.2800 28091791.2700
Glycerol 3-phosphate sn-Glycero-3-phosphate 410032672.6000 399411107.5000 576442602.2000 492235793.2000 444502147.4000 441819757.3000 509393401.4000 522124398.3000 498513415.3000 499328848.9000 395891819.5000 403017686.1000 462388958.7000 388268811.8000 446087112.4000 389543908.8000 311959170 319121844.9000 334722696.6000 286058421.3000 527516835.1000 545082942.3000 425425175 394024946.5000 587723897.9000 482997365.1000 416785396.5000 431662872.2000 513872026.2000 503922502.9000 7175544.2140 267156.1305 8166911.2080 8960308.3960 424530841.4000 397968373.6000 395830940.1000 423678744
Glycyl-L-leucine Gly-Leu 899799.3082 958864.5622 757105.4478 832383.4215 4600605.9540 5212823.8440 1828922.2160 2605979.0190 1640677.2940 2209228.9910 1519467.2330 2421462.1730 1835008.0670 1612722.0510 3504321.6640 2517623.1280 1819286.1730 1875846.7240 3233248.0830 2344646.1260 1152497.5120 1313481.8670 1339383.0540 1421175.8720 1864581.6310 1548839.4800 2500276.9290 1619061.2100 8132685.2670 8121738.3190 66333.3096 66181.8547 77101.6558 81611.7874 1940794.6710 1722227.2150 1265549.7820 2171607.1760
Gly-Phe Gly-Phe 641395.5184 758411.9844 540725.2956 480871.4814 2227722.4240 1996087.5630 1518113.1830 1517095.4240 1121818.8570 1126893.5460 862387.6372 815421.3069 1334198.0200 1182552.2880 1342525.0220 1192182.7160 1066275.0140 1041445.4050 1218087.4970 1137778.3270 1054518.8780 1025448.9420 1220625.2850 1204115.9650 1207202.9790 1337135.2410 882008.4042 809875.2047 3930133.6550 4032212.7160 45183.2121 75859.6940 69009.9571 42281.0247 1021559.9980 1041326.0740 967181.2544 1046609.1140
guaiacol sulfate Guaiacol sulfate 94884.0894 238435.8131 251898.9625 100581.1866 153503.5699 150335.8277 114317.3115 123550.5665 112965.9724 111081.2994 1011730.3810 1173503.1400 152059.0673 332849.6335 342039.7031 120680.5405 192741.0416 90470.1311 110364.8872 359399.0188 6216151.7150 5933521.0510 3697269.6120 3574700.2480 18600053.1500 16611946.4500 1965333.0440 2516425.7190 24505689.7000 24787077.9100 56756.6708 213302.4020 56887.0962 202270.3167 2647748.2490 2619366.8650 2448674.7060 2709595.4430
Guanosine Guanosine 61646338.0800 60806406.4600 85342751.8400 54419167.3000 107012995.6000 89133645.5500 129679498 128774005.6000 95405342.8200 94451842.9700 141548251.8000 143793769.7000 214097636.8000 31540508.9100 185622809.7000 175269930.6000 97092929.5900 106301037 153600820.6000 141487094.9000 135497080.5000 194089278.5000 140651641.3000 130264708.9000 144826556.2000 138452513.2000 92424528.9300 114121248.7000 185328884.6000 190408023.3000 121204.6801 141724.3919 305368.3560 220363.4045 117252222.3000 141837412.1000 125576312.7000 122572115.1000
Hexadecanedioic acid Hexadecanedioic acid 1757959.0250 1786753.2080 2192176.2690 2374609.2870 2341971.4960 2769095.1820 3721533.7330 4070790.9040 2144840.0690 2155017.6960 2561154.3900 2601487.3520 2670262.6270 2263377.7450 2862724.2960 2558415.1850 1740929.8120 1780099.2440 2319760.8290 2281727.2200 2318598.0040 2766845.7840 3009703.5420 3162881.7320 4355429.5040 3108778.0060 2956087.8590 2723227.3350 3067503.1990 3296405.8710 132355.4418 121677.0273 179244.9021 178317.7273 1841564.0390 1831246.4820 1995135.1630 1785934.6340
Hexanoic acid Caproic acid 10832788.6800 11137618.1300 11925542.1500 11166844.2700 20779181.2900 23596947.4500 14318060.3200 13849625.2100 17589519.1100 21673642.0800 16813383.8700 22151733.1700 14469445.2200 17144827 13774035.0600 18494239.3400 12886150.2000 16520191.2300 18350733.0800 17786941.7300 19981914.5200 20145071.5300 18402850.6300 17296965.3100 15936840.8700 14941015.7400 16551769.2500 12216653.1600 16906244.0800 17097518.3700 9980401.2410 9072399.5280 9989879.5490 7922096.3630 17911958.3700 15341627.6700 17271929.0600 17183730.9100
Hexitol Sorbitol 17176294.6600 17020905.8800 36144399.1600 30819870.5700 25707118.4200 26748332.7600 14823489.2500 16221191.0200 56156082 53612989.6100 18269558.6400 18985671.4300 10881018.3700 8672776.6200 11328048.5600 12053689.4200 18432069.8900 19190536.7900 23194695.6300 23470584.8100 15734992.2500 15918856.3700 25094550.4700 23605539.6000 14620848.1300 16191889.9100 15895252.3200 15839904.3500 59552933.2000 58050723.8100 762468.5516 589456.9545 604979.8260 653821.1419 20230165.6600 19380641.7800 17461014.4400 20788585.2700
his-asp His-Asp 60879953.4100 31812801.1000 33184147.5600 30153467.6900 85506754.0900 45632936.5600 59770505.4100 40064991.2500 115782671.4000 125594993.2000 54840440.3800 53713080.4800 21372712.2500 17387312.1800 48909719.9300 43757189.2000 84361334.9300 41203766.2800 45651391.4500 39816688.5300 61449270.3900 40943430.0900 52423317.7900 69560512.8200 57664753.2600 62889362.8200 25323212.9500 39296208.6200 25373657.0600 26147535.9900 283630.5269 58048.0916 255710.3904 66480.4803 29167914.4000 29367090.6800 32983168.0800 27741544.8000
Homovanillic acid Homovanillic acid 2107334.5990 2084036.1770 1488526.1440 1519081.9290 2213653.0810 2195122.8610 2110872.9180 2346934.6190 5173861.4290 5498644.6170 1695767.2560 1704857.9490 2573297.4460 2164970.1130 2777005.8440 3031423.0470 1878284.4960 1978994.6310 2542108.4310 2516839.0470 6945786.5280 7430511.3070 4993311.3330 5386618.0330 4544944.6870 4033466.4050 3769089.1310 3590725.7090 4482178.5300 4954459.7020 199570.8205 183573.6400 202838.2484 239557.3783 2281835.5080 2270204.2590 2318129.3710 2264331.4820
Homovanillic acid sulfate 94519.9664 140071.9344 535706.9082 581212.4786 196249.7838 289362.4850 139576.5734 184617.3389 268697.4027 353174.1148 52463.3198 51987.7620 77837.6560 122597.3479 119573.4212 115420.5674 79535.9662 103526.6170 93254.7140 88031.3850 5574385.4210 5194353.2590 2460455.0980 2596313.1340 7884905.7690 7010224.6710 2727245.9910 2815814.7220 5220902.3970 5995406.8450 39087.5952 37307.0465 37256.9661 37064.7323 939940.7090 889267.3370 895061.4745 937786.0429
Hydrochlorothiazide Hydrochlorothiazide 298158.2446 295105.0526 354510.7361 323868.9810 1718298.5340 1659495.8650 862348.5828 945909.3680 1144209.6800 1123960.9940 545804627.1000 552840324.5000 2238054.3460 1628550.5550 902967.5201 1050277.2210 749515.6307 804255.7953 1956818.4740 1798587.1540 34091016.4900 33161465.2600 11304958.1200 11732386.4200 3613640.6150 3476916.8230 414657.7009 398992.4909 17003801.6800 15880520.7500 105506.1907 104632.4246 110902.6476 107919.6404 41626097 40190967.8300 41449604.5400 41204215.8900
hydroxycitric acid Garcinia acid 3112426.2900 2693896.9560 6469810.3700 6467731.2980 6602098.0310 5477833.1390 10532912.8000 10071227.8500 6091950.7290 8439989.1340 11946786.8400 13801524.7900 5629856.7430 6016017.7350 10774380.3000 10523999.5900 8698762.9510 6606244.0750 5669341.8170 6823812.7250 29724130.8900 29801178.0100 32228905.3800 27517229.6600 32666393.2200 16596828.1800 6502700.5560 9313044.4540 14847386.2400 15682807.5800 92942.1004 113445.8929 89299.9286 114889.5105 11204443.0100 9358305.7200 10822242.6200 11003449.9100
γ-Glutamyl phosphate 22163112.4900 14273002.0900 24503648.0100 24907778.0600 21066231.4500 19705737.9300 24470475.4700 21461327.1900 15573687.3700 13975202.9500 28418507.6800 28005973.4300 37615904.1000 42035998.9000 35393613.0800 34301508.3100 15414666.3700 19773901.5300 23601338.9400 19618495.7500 27976881.2000 28315498.7200 25962324.9900 23941799.0900 24244703.5800 26134997.6000 27471670.7900 25488203.5500 29041210.4000 28718587.5100 66505.4537 62795.0563 86247.2520 56068.6947 47484875.4600 36474668.4700 40879852.8100 46548422.4400
α-Isopropylmalate 2199773.7130 2264505.6610 1817021.0120 1464558.4820 2393896.0090 2319110.8970 1540866.9420 1916886.0150 2007745.4480 1989558.2280 3840602.8430 3720316.6500 12133682.4100 9757549.4210 2495546.6850 2180964.5830 1057607.9070 1209227.3390 3051113.8110 2611368.6120 42472973.5400 42305604.4300 30801288.8500 32578379.7200 18549980.8000 18734907.6700 10939165.0100 10720125.6500 23218532.0600 23032249.4200 1519487.0950 1599486.7700 1608968.2780 1633566.2120 6506140.7450 6598809.2250 6425398.3600 6565171.2850
Imidazolelactic acid Imidazolelactic acid 1729839.2190 2327109.0350 12498633.2400 12083537.4600 6232075.7830 5734797.5440 15360008.0400 15541001.0500 9206193.5170 8350385.0710 18477084.6400 24608322.9900 22393418.9200 22733599.3700 29455386.7700 25029606.8300 11454872.8200 13967931.9500 23535423.0800 18525531.5200 22161772.7000 24531030.4400 22621116.6200 23314302.1100 17307584.8000 24589270.6700 13042063.5900 9986753.4290 19375102.4200 17730065.1600 6637707.4240 460677.3415 820828.8358 878745.2892 13020076.9600 14164470.8900 12611890.7400 13552468.8700
Imino(methyl)phenyl-lambda~4~-sulfane 2_4_6-trimethylbenzenesulfonic acid 438042.0438 381839.3576 303149.7278 293010.5640 382330.7832 457494.6546 9832807.4050 10049987.0500 354832.8240 487209.4799 947884.2952 800259.9744 472867.0103 375689.3956 520870.3948 512998.1850 911756.3493 1056019.5330 480670.6971 456106.1729 1936695.1940 1903697.3280 734351.2046 663030.8040 119349615.9000 111386312.1000 2912041.6860 2799898.3540 2510517.1950 2718966.6520 143519.7335 37935.9983 183131.9238 44271.8078 8749597.0900 8553799.6540 8746837.6610 8684327.3850
Indole-3-lactic acid Indole-3-lactic acid 3067608.8490 2543670.7960 2090027.6070 2129827.3720 7854191.0690 8413980.1840 3819887.5860 3898807.0380 5297619.3270 5785531.6850 2565616.3120 2526363.7220 3772717.8610 3225431.1820 4710801.5340 4564407.1180 4402546.6860 4585007.6280 3550007.5540 3804492.1360 5215649.1450 5496675.3120 4995548.8770 4989164.8180 4328173.4150 4203763.1880 4816199.6860 4494175.0820 6834331.9530 6934077.4030 762010.0525 877875.1350 1033323.9270 969855.1650 3740461.4410 3887265.9600 3661996.0270 3817937.8400
IpA 69547.3930 65703.8339 276712.2673 301787.6825 1098812.8160 1000337.9630 445425.9342 405401.7478 61563.8519 252285.6720 1739406.8160 1822743.5540 639960.8445 430079.1676 2988941.4430 2835839.6840 1724677.9660 1714635.3090 998414.2586 1003087.1720 7886525.6040 7639943.3020 9678417.2330 9478470.3000 11359487.2400 10262461.4100 7409919.3760 7899735.2780 17127904.3900 17299365.5600 58835.4518 108041.7430 52714.3233 114049.5366 2690031.6840 2949834.2530 2893699.3460 2713001.4260
Isophthalic acid 95317743.2600 93901062.6600 12126357578 12315042990 176192725.9000 188993269.7000 1551493614 1514657733 116873691.6000 117677402.3000 712189298.9000 687334864.4000 5914953265 4621627629 5775316565 5220342071 3305790360 3592271436 3755948977 3475366189 140437116.4000 147303718.8000 107673159.7000 111551750.2000 7142757759 6475911171 1494223496 1553089930 111651745.7000 115521317.7000 11274386.8400 9752019.1400 11513591.8700 8793281.3020 2256906441 2270426650 2297917892 2247426584
Isovalerylglutamic acid 6580652.0930 5708627.8550 6480839.3280 7513174.8800 7812424.1990 9970886.3160 8018907.7480 7427411.0740 9396478.5640 9507862.9160 8921195.7980 8731619.8640 5380149.5340 4220166.4530 12217317.7400 15953137.9800 5788945.9510 5611984.5320 6733769.5060 6642123.8710 23614676.3800 23689190.0500 11153665.8200 11476825.1300 18576505.9900 13225770.9100 9088867.6810 8407265.7090 12752366.1900 12048921.4100 91155.0756 74770.2418 42028.9295 41259.2673 6768397.9950 6647455.2040 6962612.5420 6663198.4090
L-alpha-Aspartyl-L-phenylalanine 693108.0021 856943.2863 1678693.6260 1678628.0650 1775086.5870 1924437.4120 2282604.2720 2501347.5150 1776040.2730 2087262.4460 2876171.1560 2539789.7820 2811864.5310 2334834.0420 4465655.7530 4259123.3720 2038276.7580 2095675.9000 3379721.4120 2905276.2920 3590760.1430 3518712.9700 3081599.6370 3053349.1210 3630220.2820 3501594.1040 1940486.1870 1778328.2050 3165221.2660 3019225.4190 95492.3171 129464.3352 191759.6099 68097.3829 1958166.0360 2614906.2410 2053296.0080 2121025.9360
L-(+)-Aspartic acid Aspartic acid 468815321.7000 416439667.2000 564628554.9000 642277273 808290364.9000 588458651.4000 1008520446 658365407.2000 547635047.7000 607118629.1000 481248250.6000 445535081.6000 607800806.2000 384777125.5000 665454904.6000 424787357.6000 412394951.8000 453028801.5000 627265578.9000 423510665.4000 635505532.7000 576570585.5000 575270189.3000 783145377 735624029.2000 731752874.7000 675139579.9000 434384758.5000 595091573.1000 645759556 2519468.1950 3144982.1680 6209597.1360 8107445.7410 614641362.4000 684213839.7000 491890180.7000 687012107.5000
Lauric acid Lauric acid 6452595.5630 6184304 6404148.0170 6341569.3770 8320427.0870 8994278.6490 7308812.6690 8000838.3730 8763352.4670 8280760.9990 6892223.2870 6905889.4550 6333690.1620 5080746.5090 6463066.7340 7462311.9570 7119283.8970 6866671.6750 7427416.3690 6965570.9120 7168167.5880 8397153.3730 8211840.1040 7971446.7540 7959480.8890 7304445.4260 6094046.5770 5405459.5100 6749044.1200 7196004.1850 3853318.8980 4183809.8290 4146524.8460 3749442.8050 6616158.5440 7813412.0060 6618111.9710 7027215.8090
L-Cysteinylglycine disulfide Cysteinylglycine disulfide 9745103.5110 8309895.2550 11042929.6700 9633111.3650 11268668.7100 12783263.2100 14659119.4300 10658714.6400 9310457.6610 7276076.4750 21500426.3400 20906730.2800 18901812.3600 17587707.6400 26153883.1900 23062424.3700 16677129.6300 12674214.5600 17904820.1700 16304393.7000 12280877.5100 9673122.7100 10767445.0300 9272011.0230 8049610.3810 9134303.7390 19407559.7500 14989165.8900 10412022.5900 9711870.9890 480693.6495 280666.7475 346159.1589 307559.3385 12576494.4100 12115562.2200 13455822.5300 12176264.1600
L-decyline 2457677.2000 2407158.4610 2308791.7050 2525336.4220 2153712.4700 1990980.0090 3469709.9620 3403690.6950 3837809.0600 3666133.3900 3747649.5790 3936174.5200 3333254.4800 2990205.6740 3826567.8170 3631377.9610 4029557.9330 4217689.2070 3926722.8930 3723527.4470 1871478.3680 2011599.3210 2380235.6260 2130296.5780 2131847.4740 2129200.7570 2041693.4290 2163466.6550 1450458.2670 1358587.9090 44110.3485 38655.2689 40444.2021 42008.5925 2537017.0100 2425045.9010 2391507.8160 2546733.0880
Leucyltyrosine Leu-Tyr 1086990.8610 1124918.6240 589731.6445 598618.0365 3126826.6490 2952721.6640 977129.4241 1030833.3570 555790.4823 520949.5365 1531444.3930 1533658.1930 1644335.3000 1441068.1370 2493572.0390 2388953.0880 3137528.5520 3237425.3160 2505964.4760 2308993.5970 716313.8422 758505.5087 496964.7949 489092.7516 697332.6696 511292.3750 790915.8877 784908.5326 970088.2734 969675.9553 29847.6146 38368.5088 32689.6196 33470.0539 1429194.4400 1385976.4850 1431030.2710 1414474.8150
Leu-Leu Leu-Leu 2247070.4860 2308547.5480 1240985.9780 1127882.0840 156685.5012 77012.3880 78869.4634 78296.0290 91199.8208 2106872.8930 3295256.2430 3214858.6620 3655782.6840 3208397.7180 4686869.7270 4438228.7520 4465790.4430 4638547.4500 101693.3819 106587.8623 2436931.1630 2068264.7820 2082948.6440 2003703.7120 2725741.6700 2298883.6230 1819872.1000 1892273.6570 3251678.6590 3068405.3980 35842.5747 33369.3001 33501.0781 35935.3963 2846223.8400 64796.1004 2939229.7500 2823520.9110
leu-phe Leu-Phe 1878236.6140 1923435.5100 1633241.5640 1680482.7110 3535566.6710 3485598.2630 4297056.9170 4249899.2990 3047031.4170 3018274.4650 6077062.8850 6136836.2630 6477885.4030 5535580.9650 7319722.0800 6972291.6940 4467101.1040 4097741.2290 6771502.8190 6310996.0300 5810510.0650 5841737.5770 4791716.6340 5001082.8490 5001812.6370 4334380.2510 2954994.7820 2832218.0910 4389503.9600 4354466.7700 67577.5625 55684.1594 49934.6011 35611.0105 3747082.7910 3537877.3010 3754005.0630 3671428.2160
Leu-Val Leu-Val 4490863.5130 4276963.2600 1352425.6090 1450598.1300 5863597.6560 5780519.7470 4996640.6970 5213017.3360 4233969.0310 4694102.5590 7783816.4250 7636023.1840 6214801.5160 5851478.4620 6092327.9900 6092104.9510 6646723.1580 6626428.8920 10657101.5600 9956666.4900 4600115.3860 4523995.3980 6238614.5210 6080422.5080 2466982.4490 2725469.6590 3608585.3320 3841791.2670 5558803.7350 5762902.1080 32527.2136 31267.8059 32397.1729 32653.8291 4310596.7240 5121211.6370 4780660.7510 4428700.2670
L-gamma-Glutamyl-L-leucine gamma-Glutamylleucine 78015.0213 78842.3469 274970.9995 307358.7694 205564.9028 949860.8748 142526.9490 147740.5841 952803.2485 1241091.7440 125787.9344 80359.4960 1311780.4120 1151683.2750 1428801.1690 1229360.6780 984645.6653 928499.2180 1394466.9500 1252409.2640 90433.3870 831171.4642 86675.4218 1013367.5960 1489682.5050 1412874.3330 156724.9570 290855.3097 6439373.3320 7820857.5670 134077.5586 99633.0580 80573.1843 68627.6004 981691.9898 793882.3760 1022984.4360 901452.1555
L-Glutamic acid Glutamic acid 750336174.2000 716028311.3000 1164595154 1163836550 1070300850 1146298376 1310756247 1222904115 1188383377 1190247262 1140903844 1080147868 1588653633 947169357.2000 1323889026 2177367674 760090297.2000 819420405.1000 1026133765 913828057 1484832433 1513588673 1490309427 2022883621 1648449431 1491838532 884852759.2000 840438523.4000 1085390291 1056944905 10286447.9600 9126755.4230 11377705.8400 20588083.1900 1441601393 972671683.4000 1157910596 1473807747
L-Glutathione oxidized Glutathione 103390715.2000 75875478.6000 29562205.6500 29164846.4300 27628021.4200 1801335.8060 33542621.1300 35934038.9400 99828834.4800 98556479.7100 1385195.1920 2002904.4420 783345.0061 768322.1042 1498286.3500 1742557.7800 38783575 40679126.0700 6418883.0850 7036665.0240 99278643.5000 95840894.2400 63617790.5400 18192066.5700 40313849.8400 48350016.5400 24467887.3300 24379667.6600 88504917.8300 87528809.3400 114007.8725 149530.3172 170175.1939 155626.9564 28124020.4600 25828580.8700 26375617.2200 28260929.1300
L-Histidine Histidine 27354955.6500 28165068.9300 39324962.8100 52450371.4100 37886958.5800 54824880.7000 58400158.4300 60017330.5900 61336842.9700 68549888.5700 69663374.4500 64933553.3000 84700321.2600 103976073.5000 70240716.1000 76973811.5200 31170220.2600 29804073.3800 50687026.7600 36060882.8800 62774452.1500 82268317.2900 70388784.5600 42005752.2800 89244719.2900 50743114.9200 42629433.2800 40650721.3900 82449835.5800 97480508.1200 154083.7326 1444978.2920 1847677.0820 206841.8928 51306107.6900 47195844.2300 48865360.1000 50957503.3700
Limaprost 78916.0795 101752.2880 64523.1856 64536.6379 60470.5182 75867.6067 64033.0422 99347.4333 115643.8041 94544.2070 121300.8104 113826.3244 591020.2880 486733.9173 595517.1081 522107.4563 340517.3009 386747.7527 270816.2919 220695.4575 2789437.7730 2772944.4850 2041581.5620 1923734.2840 594949.1536 468721.6327 1015560.4910 1052882.4120 2661372.9640 2707471.9210 56531.0477 42042.8725 46859.3836 51490.6228 445526.1192 473576.3649 442369.1327 456404.3535
Linoleic acid Linoleic acid 54996696.9200 60250592.3500 22374424.8400 16833669.6600 124870677.5000 100553991.1000 135491358.7000 130075365.6000 132353861.6000 93523816.6200 43376307.1800 36664740.1500 124067823.1000 83680265.3700 35626171.7900 35865116.9900 110396886.8000 137275743.6000 94234767.4900 87538011.2900 212465260 178219130.2000 87586171.8300 56419856.1100 76256565.2900 70930555.5000 99239890.8500 81949046.2200 263510574.4000 212789122.4000 1413769.3090 4313018.4590 8272839.7570 6027514.8540 51541831.0700 64497264.4900 73730162.9300 44228140.0900
L-(+)-Lactic acid Lactic acid 9250234019 9065321637 5895880075 6072555448 8190258963 8266794958 7991075853 7750618708 11235482432 10732465457 3987165416 3987720826 6514908154 6001420032 7702410352 7597749264 5430892692 7641093032 10362963999 9514694585 5456602013 5387394289 7086042507 7261592747 6937580843 7175958244 6865439789 6971403754 9049569334 9424111213 76246190.2800 28554475.1000 30824776.5300 26328543.7800 6165847228 7585328048 7266165658 6410550501
L-Phenylalanine Phenylalanine 619278003 597634288.6000 750462022 789099909.9000 1223322131 1457326139 1134276873 1017073505 991144267.3000 930955099.6000 615747977.9000 894249456.7000 1151730577 982140068.8000 1190987245 1202735740 785994335.1000 847474611 965334569.5000 993511756.8000 1096735894 1184529094 1050375310 1046308353 1604448792 1317230517 712008437 748237846.6000 1583061705 1427322271 1302379.4740 1225589.2810 1701899.6700 1608371.0110 799387664.7000 857246678.9000 609813323.9000 889913179.2000
LT9970000 6431584.8550 6307117.6390 6108033.0420 6610377.6550 6324268.8730 14219172.1100 6209540.1970 6050330.2070 7831286.7820 8435160.0290 7454075.7400 7642372.6700 5590826.5440 5383095.0010 9393287.3320 8962918.4900 6645375.7590 6735429.6050 6737249.5280 6518329.9310 7718285.7440 7640525.0460 6695739.2000 7397250.5520 8717883.6400 8241266.3330 5213315.5390 4712820.9670 6124424.0970 6970990.8760 3364351.9230 4334561.1220 4234828.9190 4647039.5450 4367435.5480 4728224.4070 4007765.9980 4600994.7830
L-(+)-Tartaric acid Tartaric acid 61876572.3800 63426068.3200 29448693.3800 27587304.8700 257395439.1000 237029677.8000 280504256.3000 226724109.1000 214079073.9000 160013302.5000 89320211.9900 88325899.1400 84125076.8600 113990057.2000 27896055.3800 31863888.7700 26005572.8300 24368050.5200 41212850.0900 40514824.6700 197781511.3000 179662075.2000 161484844.8000 156977051.7000 233040474 206448203.4000 343391538.2000 326903566.6000 344320553.3000 353296928 902816.5354 1251367.0520 878589.9243 698244.8112 150226138 206005968.2000 177428347.5000 154987654.5000
L-Threonic acid Threonic acid 148366264.8000 185049247.5000 112465182.8000 207723314.6000 225270538.1000 254381502.4000 246309686.3000 241073011.1000 223552618.6000 186151693.9000 269632539.9000 186908360.8000 281263549.6000 242807408.2000 244076983.4000 150475005.3000 230348257.2000 219656017.5000 273279372.9000 192249777.4000 246364399.3000 250090785.2000 255813278 278478140.3000 357116681.8000 267644142.6000 247246277.2000 262394002 207835828.5000 256209218.8000 2491968.4580 2458003.2020 1615150.3600 974910.2163 235066296.5000 353355074.2000 316286897.6000 251567982
L-Tyrosine Tyrosine 159919417.4000 149285578.3000 116314327.9000 127520206.8000 190519694.9000 148810884.2000 136892360.8000 150693269.4000 115839593.8000 168161259.4000 117560788.7000 138493252.2000 104748531 124438477.8000 124975738.4000 151758562.6000 92767489.0900 106069199.5000 121417398.9000 165336265.7000 142368342.8000 156728317.2000 203586871.5000 206903494.1000 243410522.6000 175877240.4000 158912492.2000 141654898 258895807.6000 245218003 921426.9268 767606.1379 1021952.3920 1019502.0620 169441039.5000 131046648.6000 144130965.5000 166151643.3000
MBP Monobutylphthalate 2055239.3200 2287690.8030 2026396.9410 2003418.4510 4605778.0840 5812940.1080 3285881.7890 3314060.2460 2608330.2030 2479356.6420 1324467.5850 1376341.8150 1771630.1860 1992589.3700 6373854.2450 5915415.5580 2355922.8510 1931209.6150 1952483.7490 2004941.7450 3205729.3800 3598520.4980 2435305.4550 2739355.8530 2175018.2530 1937296.6250 6057073.3910 6449592.1830 4750914.8870 4190229.7150 1125870.6710 1073340.5950 972867.6112 936842.4596 2295684.1430 1844086.8340 2347999.6580 2115510.3740
Mesaconic acid Mesaconic acid 66882910.8900 70697715.9900 75742942.6700 74519791.1700 117124669.6000 103162765.2000 111418816.2000 107204991.7000 121744047 122009033.7000 112238038.9000 114016520.4000 99792171.8800 78376447.6300 114450615.5000 102906195.5000 90927696.8500 89921464.4700 127153847.1000 110685975.2000 308189199.6000 258663751.4000 207750137.1000 208375195 251603250 249396312.5000 116095296.7000 113881240.6000 246087883.8000 283086580.4000 335316.0240 1129795.0180 1133265.7070 1010109.7290 115483077.3000 109296853.7000 121178089.9000 111426813.8000
Methylmalonic acid Methylmalonic acid 1208297740 1105930526 1225968326 1293297982 1925894566 1441568873 1865110367 1717284850 1674574641 1690730836 1511529054 1645975739 1582370939 1496981418 1802681495 1695000316 1505345512 1555424117 1567664848 1778401893 1908464071 1919168579 1866887616 1779396434 2011689321 1951589773 1296727038 1362975416 2188125079 2090473335 18417634.5700 269225258.9000 289602323.2000 261696430.2000 1504858286 1400508770 1439336593 1494616197
Methyl salicylate 1909002.2070 1793272.2720 1524965.1300 1500091.1110 3100097.9350 2992179.5260 1661139.3620 1676895.8370 1513801.3030 1578018.2100 1572866.6190 1504245.6330 1404175.9100 1351964.3020 1345941.7140 1289210.5320 1968880.7950 1901176.3790 2139418.6040 1934227.8750 1578242.0210 1605963.8450 1673924.9530 1554985.6850 1743160.2130 1420465.5310 6877253.1080 7163295.8560 1957041.3930 2088992.9450 71764.8092 198630.5265 167955.3626 286274.1153 625318.8778 736422.9895 634674.7909 661583.4455
Methylsuccinic acid Methylsuccinic acid 45592913.0900 55982139.1700 92682916.9500 85023054.7300 29034762.1500 34734374.2500 64676239.6500 68956587.4800 30679572.9500 30558515.0300 81739628.2500 83519677.8800 74822163.3800 71896282.4200 64614260.4000 65732465.6000 88766701.5700 98790019.3400 67280913.2100 67584599.7400 288180766.4000 310713517.9000 113484542 116624623.6000 223579325.5000 207251992.6000 248950883.8000 318800555 116695638.9000 123528705 1274213.6430 797457.0185 896664.8313 862887.9766 94067441.6400 107172022.2000 103032928 96531448.7900
MFCD00070502 3009797.6500 3324462.5170 6399342.9390 6637754.3160 5105074.3080 6316691.5610 5459384.6280 5391161.3060 4229172.6290 4507892.7700 4422721.9890 4858870.9450 3948782.0650 2738795.1530 9551374.0590 8533830.1050 1542485.4910 3439478.5510 5212495.4380 6295775.9520 4382690.8690 3911283.0770 5000720.4450 5689970.7650 7790563.9170 8025523.3170 2611689.0350 2984654.5460 5588811.0190 5658836.8560 481315.4587 48897.3914 656001.4830 943632.4955 5609104.7270 2873726.1180 4300423.5360 5937836.9650
MFCD00137562 2519433.7320 2727888.1500 2967530.4060 3011108.0070 5049136.8460 6271771.3920 5297712.7900 5177822.2780 3335645.5090 3622552.8740 4856892.9750 4656160.0010 3433351.6380 2755322.7310 4184182.6070 4026051.3460 3788227.8660 3496535.5220 5120785.4630 4749635.8120 5242923.3130 5492105.2420 5353102.9160 5172448.4530 5811272.7500 4823262.6940 4079987.0170 3574604.6540 6207556.8990 5287705.0150 43055.7299 41579.2486 58786.0341 31081.7897 3153483.5740 3827050.7080 3099951.9660 3402814.9810
MFCD12546417 428371.6075 259857.0349 3809404.2380 4708909.6400 1370698.8200 1939575.7300 1745851.6000 1480452.0460 3071831.8650 2842415.7640 906462.8429 1096315.8400 239210.4749 226054.4553 162525.1236 161239.6398 127073.5658 134440.3750 477291.9183 529486.8496 5997204.5920 6048604.8770 2185834.0100 2236663.8480 10781400.3000 9997684.8820 1889700.5040 1772344.9400 5792347.8430 5485227.6420 131066.8328 51129.1788 47917.4562 43676.6466 1190759.1130 1981865.0130 1956061.3950 1297152.6000
Monobutyl phthalate Monobutylphthalate 8505363.5570 8465412.2090 8442859.7370 8639063.2890 44177651.1500 42755117.5300 20897580.7600 20179422.1000 14469291.8200 14117398.7900 20187387.2900 20927628.8500 12349618.3100 10515045.3700 12533359.5500 13321229.9400 15914927.4200 15923563.9300 18826268.2200 17194950.9400 18047284.6200 18381392.8900 12902934.1300 13586106.3600 17839024.2500 16303341.2100 37639249.5600 36539894.1400 21550054.5700 21279447.8000 2000339.4880 4516235.7590 2492220.5720 2033967.0520 14980133.1600 16107416.5400 15943957.7700 15051529.7200
Myristic acid Myristic acid 5131425.7760 3780328.8440 4367124.1300 4522350.8290 5817255.4130 4662534.7390 5100701.0590 6925958.9180 5586267.4410 5433613.3180 5989795.2430 4501787.6620 6335972.5750 5114426.4770 7679622.3980 5953275.7630 5636195.4340 5541497.2730 5081335.0510 4326534.6710 8080759.4360 5413472.3400 5318696.2360 4368011.7070 8756266.4440 6747101.1870 6956956.3770 5367991.2820 9395538.7800 7111015.9800 333515.7013 299759.1270 255185.9000 302981.6915 3729109.5780 4460507.5520 3439394.3710 4077576.8830
Myristyl sulfate 182061802 201476287.1000 220029954.7000 196683438.6000 358965428.2000 481461509.3000 203074591.7000 166392663.2000 178309956.3000 237985077.9000 423746426.2000 351428703.7000 1058591444 757344231.8000 944316589.6000 841989933.4000 988320088.2000 919800083.2000 747417034 668583566.1000 1546242432 1349326319 186484913.9000 182669690 510038153 550211159.6000 606773139.4000 620704023.4000 482330683.3000 467909258 6733859.3580 5226733.1240 4788071.0590 6361685.9960 276809955.3000 213492072.1000 310007322.9000 243768273.3000
Myrmicacin 6733613.0670 7082415.6930 6982139.1360 7124745.2400 5646426.3010 6237858.2200 8697715.3100 7821225.8310 6697367.6390 6401265.5860 5869766.5020 4109040.8270 6640758.8640 4194387.6330 8385436.6240 6154028.6010 5084612.4450 6924782.3940 5909030.1270 4464313.1760 11001890.6100 9238717.0610 7759070.1910 7046134.8770 8096420.3490 7194423.4640 10446905.6500 9658215.6900 10357181.3600 8399411.8930 1279355.2190 1169816.9730 1318814.5020 1086960.6020 5395792.0030 6174423.3650 5361545.6290 5714492.6560
N-(3-Carboxypropyl)glutamine 5136765.2550 5943905.1000 7947448.7190 7961243.8950 9133061.0380 9899685.2070 16382918.8300 16260609.9100 7180589.2110 7213454.8110 10716182.2500 10951548.6600 22948098.8100 18804307.5900 42115749.6400 26106205.2000 7935243.2500 8537790.1980 20185465.8200 13148602.8500 37243634.7900 37350758.5000 18588046.4500 13828736.9000 22598294.5500 20072811.7900 19680569.3900 18530920.8500 41533062.8900 41493852.9000 144064.2326 105856.8013 99588.1928 95432.3762 12187909.7200 13879384.4100 12582523.6700 12758969.3100
N-Acetylalanine N-Acetylalanine 3850729.7450 3049825.6620 25166622.5200 24443145.0300 59593943.9500 50909106.4100 71560335.1300 52572173.4400 43605268.5600 42797212.2500 38340805 37777324.1700 44133557.5600 35710506.6800 25165787.2400 9482595.6150 23595368.0500 25718638.2200 27967513.3100 8397302.6700 55005900.4300 59210306.4100 39683179.4000 40723897.1900 55276759.5700 48769808.4700 35006023.3700 34263640.0100 62545664.4300 60718253.2800 4666287.8100 4210121.9800 1350739.2540 3252605.1080 34368696.9300 36348109.3500 44015724.1700 32740627.6000
N-Acetyldemethylphosphinothricin tripeptide 13106536.8600 14577854.4000 19906261.9800 18149964.2800 24025104.6400 24608939.1300 56495511.8400 52248339.5600 39481643.8700 41500794.1700 34655523.9300 33751090.7800 47191768.3800 48699790.4300 55246968.0100 65551507.5400 37576405.4200 35966059.3500 45101854.2300 45334174.1900 72589961.4300 62132412.1300 20510145.9100 41168682.6900 43398903.8900 42866402.8100 31460707.4000 22934376.2600 74671728.9400 72794625.9200 328101.3889 197752.4070 402771.8798 487650.8381 37053444.9900 39360505.3100 41019022.6800 36696818.3500
N-Acetyl-L-cysteine N-Acetylcysteine 890709.7527 732871.6412 916822.2945 970088.4671 903684.1552 897079.6728 794594.6140 730137.7599 911702.0593 930956.0644 1189804.3090 1315239.8900 306841.8279 247088.6778 1569397.5050 1428400.8370 272899.4366 464611.8847 787507.2357 627138.4599 3442346.0300 3193396.1790 3659962.8470 3708415.1150 1612535.3280 1548497.7680 2255385.6390 2334429.9150 3363692.9970 3462753.3120 37552.8906 75526.0638 29147.0377 67299.0978 975501.2711 963530.7813 981710.2704 969238.6473
N-Acetylleucylleucine N-Acetyl-leucyl-leucine 51267.6932 68134.5637 61636.7914 102408.0360 87986.1816 90420.3878 122556.3452 165697.3141 63456.3258 90358.7452 189128.6057 195542.4537 85280.2026 81683.0414 117899.3994 100076.7252 61271.7762 76207.5952 163122.3290 150584.2538 272029.6785 297999.6808 79142.9946 80235.6480 14888983.1900 14151897.9100 272945.3149 235388.6004 91116.9125 111892.6684 213349.1033 232296.4624 208618.5525 187840.5139 1306555.7730 1402783.0660 1325806.1670 1333874.7720
N-Acetyl-L-leucine N-Acetylleucine 4212212.4480 4099610.6050 6388863.7060 7087186.4810 3630072.4540 4040860.1880 4531907.2780 4552110.2000 1841179.0890 1916440.9240 1774029.3080 1656642.8660 3372071.1450 2995719.0110 6101162.1480 6357020.8450 2566840.0880 2948884.7540 5081151.6030 4648531.8580 3484357.6540 3152558.5430 3877295.6300 3668786.1440 3060773.7550 2961369.3830 4458491.3910 4776946.6850 3605091.0440 3973190.5130 347776.2367 353205.7908 369008.2776 443922.4573 3132076.1090 3359284.1160 3411197.5290 3118220.8100
N-Acetylnorvaline 1249816.3490 1126330.6170 703782.9343 714127.2674 410816.5305 509572.9141 1123126.2890 913932.5627 515404.6647 532006.0092 1663229.5890 1541467.4880 10676018.4400 8599902.0170 805656.6023 909792.6741 507786.9053 428063.5754 690595.5792 553691.0959 1658284.7590 1817297.2440 1073869.2100 1341801.0450 1274391.0710 1014014.2310 909683.5269 789274.8658 1098368.3150 1300240.0380 445048.5891 530086.7207 499259.8447 569100.9709 1626213.4880 1500266.0590 1570480.3990 1602060.2070
N-Arachidonoyl taurine N-Arachidonoyl taurine 12310564.8800 10593072.7000 14581588.7400 13901386.8700 24781388.3300 24739961.2500 34626218.2700 30462066.8600 19936822.6900 18501705.1800 30062257.2000 29519160.1800 26771956.5400 19619567.7400 48461012.9400 43119400.9500 12715089.3200 11419872.4700 28799947.4000 26414175.9100 35562977.0500 33162429.9700 27035245.1000 28182194.0400 32374587.9200 31246778.7600 13303504.0700 11076048.4900 28377751.7300 23586013.1300 145227.2486 130657.4802 157047.7381 150386.6958 18862810.6100 18532644.5100 20811095.2400 17988579.0400
n-Butyl lactate 9804518.0750 9940769.1720 8744938.8410 8926941.9790 15274161.1800 15409267.2000 11367333.0900 11866919.7500 14228154.6500 13876512.6500 11600079.6700 11444965.6800 11626820.5900 9288850.2140 9113515.6690 8902289.7730 12347746.7600 12820635.7200 9965841.1010 9081207.0830 13355025.0200 12325659.3200 27212106.9300 27180628.9900 10173597.1700 9392870.7360 12926803.1900 12565915.1000 12224523.4400 12482655.3700 3562889.7760 3006456.6460 4373971.7440 3557689.2610 11235760.4500 10382960.1500 13423871.2300 10264383.1100
Ne-Acetyllysine N6-Acetyllysine 2917278.9190 2600599.7820 2308112.4800 2435239.5050 2538549.1490 2564187.4950 8342548.7880 10505038.1100 3645263.9670 3328742.6040 7472273.1060 7272315.3420 11058931.3000 10967890.4200 6972622.1270 9971424.5260 3893001.6760 6540381.2950 6128346.0330 5707414.4820 10370979.3000 11659971.4700 6615460.3670 8682514.9550 7867668.5360 7676497.7410 4699097.2520 5552355.1050 7403382.2310 7122018.2190 68445.8310 58380.0401 63583.6731 71702.2969 7356444.5750 4869585.3930 5814248.0930 7036390.2140
N-feruloylglycine N-Feruloylglycine 6643991.5620 6621462.1200 2809663.7930 2870371.7820 1194351.6120 1306495.3800 12692695.5900 12210543.7100 15882106.5400 16035173.6500 3372874.8010 3262027.4300 4986164.0010 4117357.5820 7692082.7190 7540769.7640 1914348.4840 2090338.9020 3802724.2350 3547782.1440 2156081.7230 2207095.4740 942041.4453 857862.8407 5335779.3340 4395348.7080 3850989.1210 4039452.9160 8399961.9480 8314878.6830 321763.0403 358090.0782 270725.6991 250691.4302 4088334.9820 3298811.5280 3763385.2940 3921243.9650
n-heptanoic acid Heptylic acid 565318.7605 1647525.3470 1201993.6250 1269064.7850 436424.2298 574784.8769 1012515.1120 808491.5677 1190681.6150 1397113.8830 1172725.4830 1179274.9380 178550.6973 200368.0256 1792758.2240 2020605.5400 410943.1377 577807.8406 182741.8563 1261522.4210 9856765.4510 9965825.3580 1510783.4890 1577757.1880 4194256.1660 4179135.1000 1426537.8300 1331847.4110 3030815.8850 3246714.6190 1110556.5050 1187973.8970 1301684.2870 1473533.0490 1222616.9580 1317543.0090 1233152.3370 1248781.4130
N-Isovalerylglycine Isovalerylglycine 6569047.1330 5935823.1810 21446508.3500 24004372.4000 7663697.3390 11548369.8900 15150273.7200 17228079.0400 7872456.0250 9209554.5300 15525253.7800 15314725.8300 13583120.9500 10890916.0800 32656276.8700 31010254.1500 6697777.7120 7086188.8420 15219924.2200 12412619.4300 40389292.4000 43302624.3800 21792082.2700 21722036.4600 26175898.7700 19424079.4100 11285712.6900 11833939.4400 21254545.5400 16981422.3800 483946.5528 59342.3404 557717.1094 62058.9396 10786071.4400 12043771.7000 11804321.5900 10900466.2600
N-Methylglutamate N-Methyl-glutamic acid 30309778.4400 33198843.2900 41020009.0700 42757552.1300 22453095.0700 21787610.9500 38251804.2700 36683985.5700 27121401.5800 26861499.9400 51151112.0400 51594507.2100 54675828.1700 68090654.4500 58157012.6400 63636207.9900 32553192.7800 29768515.7900 52477954.5900 55897797.5900 47725275.0100 49609556.2000 37335271.6600 34211269.1100 37681763.3100 43306939.5600 48927031.5600 53118285.0700 37792759.3400 40865264.5200 81144.9996 233694.6683 300959.6598 313645.4589 32667196.0600 29204109.1200 29674055.9000 32691982.5300
N-Nonanoylglycine N-Nonanoylglycine 23044211.4600 23441290.7500 18299429.7000 18622088.0800 15552334.6600 19188709.3800 22697678.4900 23915052.0700 8997382.9520 9169355.9700 11181274.9700 11296946.3700 9120973.9290 8983975.7250 15072769.4400 14458536.2600 8180003.6320 7822591.7000 12725917.4000 13179173.5000 10095931.4200 11359355.8800 17841010.5400 17982226.6000 9214068.6550 8580999.9040 12224765.7700 11963973.8900 18332109.4100 18793770.8700 4244444.3650 4513132.0500 5068560.7910 4870758.7800 10667266.6600 10970091.8900 10414093.0800 10854109.3600
Nonanoic acid Pelargonic acid 74307256.6900 68629841.9800 58395204.8800 65897936.2100 77501273.1800 90664044.7200 88432200.4400 87862114.0200 56986136.0100 56833652.1700 14638911.6800 7665167.3730 61916511.3400 50473101.8800 56243737.3000 63488277.9100 54720265.0900 56491610.1300 92738049.6600 96099992.4500 60266175.3700 59578707 80668180.4300 76066888.1900 51022928.0300 50816136.2700 50966441.7600 48742327.4900 97502438.8400 99907118.0900 30151829.7700 29140786.5700 31403909.0800 28282754.2100 44378870.8900 51039116.1400 45393570.6000 46658860.0200
NP-001134 55142175.8800 57665968.5300 54423780.1700 57478387.0700 57570154.8000 142689316.9000 59415424.9000 59534029.9100 56572063.7500 59027758 60603618.9800 55039745.4000 50977596.8600 46445719.2800 55949069.7800 56044853.8100 42636171.5700 57239417.3000 62409475.0900 56746525.5500 54826248.3600 52654836.1800 55608606.1300 53335322.0900 54758804.5000 55677478.8300 52765228.7400 49571005.4300 40599494.6100 56590866.0800 63001895.9300 62204623.2700 59242484.8000 54339607.8800 56003872.4900 61836644.6400 55187415.5400 58212137.5700
NP-002089 7182019.0550 8252342.2640 7723399.7550 7057970.2080 8265094.3030 9656488.3270 7839437.5920 7514713.1100 8593849.1510 8200150.7160 8437166.8380 8051565.9780 9049278.8010 7332181.5210 8399001.0460 7811439.2100 9603410.6530 9644116.3430 9362752.9390 8366999.0890 8608971.4430 7997403.9420 8212666.0470 7428686.0670 8641779.4570 6780312.1850 6037284.8760 5760199.4670 9346571.7800 8457997.3730 2362498.5650 2732915.0350 2781313.5890 2489245.6190 5762030.1390 6206393.6300 6074532.4460 5812545.4140
NP-008309 903666.3248 967613.1201 2052781.4900 2035531.1110 2294714.8220 2356873.0790 3675568.4930 3757772.1590 1694956.0480 1732383.8340 1692318.4920 1624260.1950 2378979.0070 1966865.9750 2073868.6900 1795297.8810 1079066.1110 981639.8001 1657321.8070 1484230.2400 4198324.0890 4333999.2990 2687006.2040 3037448.1850 4430310.0780 4370570.8650 2030797.4650 1827701.7380 5533661.8930 6046337.0790 31142.5003 40851.6914 191416.2134 29663.9113 2148501.5600 2087272.1780 2203855.9950 2107966.5200
NP-016102 40895753.4200 42037233.9100 40445003.7900 43140186.4900 42411467.0300 110036708.3000 43881337.5900 43670701.0500 41186003.9300 43137197.0700 44213494.1000 39254005.7900 35264906.2100 5714006.7660 41566317.1200 41389594.4900 15164285.7500 41213349.4700 45346455.8300 41479570.1600 39738288.4300 38615117.7700 39695521.1000 39396321.7600 40827946 41405203.9600 37950917.0600 35632988.4500 10454656.2500 41200487.6600 47960843.2200 46617456.1300 44856560.0700 41156656.2500 41559150.7200 45373513.2600 39437100.2800 43610708.6900
NP-018661 17248583.6000 17986901.0500 66800042.7800 66664280.0700 16722349.5300 17510338.4300 61807421.9900 61403591.5500 17268001.1100 16432255.4100 29963394.7700 30427096.7500 14450080.6900 14168071.8900 24212772.5400 24359429.8700 12710829.7900 12636648.2100 20975801.0500 21309951.5600 72981591.4400 73101831.1000 40276819.2700 40520838.4900 72174005.6900 66142685.4900 37914724.4600 36803537.0700 26897023.2400 26582008.4200 4813400.9780 3499930.4430 4910656.2480 4869640.0480 24640034.5700 25006583.3200 25719786.4300 24402480.2700
NP-018716 14514749.6100 13779404.4500 19585367.9000 18407201.4100 28218378.9700 28973797.6300 22520039.3200 22826487.9300 25031504.6100 24904060.2900 12698550.7900 12898256.4900 18329790.3900 15267098.6500 9616788.1100 9337574.8280 13274252.1900 13289020.3100 14901436.7000 14491607.4700 19422806.0300 19597951.4400 18578946.9900 19094616.9200 17312497.9400 3142364.9540 37705801.2200 38500135.0300 24004067.7200 23990613.3800 3899835.9700 3950950.7510 4668783.0300 4473382.9570 14950612.6300 16111321.6500 15288884.0400 15249918.5800
N-Phenylacetylglutamic acid N-Phenylacetylglutamic acid 517152.4125 530950.3193 966314.1801 895690.3876 958234.7773 923944.3288 627752.0471 589595.5013 1817322.8210 1914487.1360 1086862.3050 1140686.9920 944554.4706 696189.0598 313944.6437 417413.0200 850214.5721 929643.2131 425546.0832 296499.0455 1789180.7190 1829505.3490 2667688.7710 2611619.3380 1203416.9120 1039861.2980 963059.7899 987008.5419 2139028.5330 2101009.1830 31171.4178 29979.2122 31298.5026 52245.9958 863879.8073 883472.0497 915747.3001 853333.9157
N-Phenylacetylglutamine 629851.3466 766548.9588 601421.0771 705670.0588 1051265.5240 2995062.1530 265195.5265 415435.9398 2064537.5000 2035472.8430 1022476.6920 1041310.2330 767581.5266 475985.2048 1230236.1540 1149977.9950 745409.2311 797012.2251 448356.6581 299895.2678 1039193.1120 997514.7079 3261485.0770 3335740.8260 657143.8891 572343.0936 993740.6117 868132.3117 2305488.2600 2115918.0620 29618.0887 30023.6513 43793.6169 29762.6132 696724.3924 654360.5144 716153.5644 675458.4805
N-Succinyl-L-diaminopimelic acid N-Succinyl-L,L-2,6-diaminopimelate 2599037.1010 176522.9127 3108378.4430 2675878.4010 3287831.7810 3386330.2070 34295835.0700 22876339.1400 2804544.4320 2315806.6130 45173448.2300 38915731.7800 32804879.8600 23415946.5400 85659451.3000 75789419.1300 44470721.2600 32524373.0500 37462897.1600 34770131.4700 10229697.4100 11152845.0100 11381117.3800 7830406.0300 6604285.5270 5029360.1230 5523614.0250 5611748.5470 7808668.6480 7390188.1820 66621.8776 83860.0170 63320.5478 47424.1542 20649824.9300 24360966.0700 21913718.9400 21693940.0300
N-(tert-Butoxycarbonyl)-L-leucine 9281951.5350 9248520.3440 9824583.9970 9897273.4610 7806614.2940 9027188.5350 14132067.8700 13906069.8600 13408114.8300 14623016.9100 15561937.3400 16032451.2100 12814687.8300 11332279.8100 14925605 14429287.8100 15645854.7000 16671629.7000 16499082.3600 14828210.4100 7870186.4610 7267294.8440 9199668.4450 9172194.3120 8736689.3290 8658736.4500 8197006.9220 8226539.0910 5341798.9390 5550296.0900 81371.7216 91656.7405 94398.3615 94154.5250 10030796.0300 9412172.4630 9601055.2650 10001408.7700
N-Tridecanoylglycine 24224162.4600 24421721.1100 18703171.4200 18392445.7000 13254124.7000 11779023.4400 23087326.7500 24156623.1900 2441567.6220 2432209.6620 4966677.5470 4920113.7360 3780689.2750 3173760.7470 5744014.3480 5690480.0880 1609071.3640 1575089.7480 4657083.9340 4461891.5560 4025972.3270 4031942.8080 21354471.9700 21508980.3100 2835918.2590 2557984.7050 3938250.4490 4041486.1760 22250851.9800 22394299.9800 300156.5678 324002.5988 447173.0116 397356.1133 5737387.7170 5927901.0110 6431841.6260 5609077.6030
N-Undecanoylglycine N-Undecanoylglycine 678223783.3000 676637634.3000 565864011.6000 576194004.6000 384595881.3000 373125695.3000 719273479.9000 691444376.6000 116098497.2000 116840406.4000 218693380.8000 224804357.1000 197297589.2000 163008771.4000 281713162.1000 270797118.1000 81816775.5500 76243703.4400 228675815.3000 216800763.8000 178484652.8000 175685775.2000 634169775.2000 633592125.6000 135476654.5000 125547341.3000 140284714.3000 136123946.5000 686806982.7000 684843156.4000 15446903.3700 16513326.2800 18110299.1200 17122557.9900 197544964.6000 212596565.2000 205137247.1000 200393746.1000
ophthalmic acid Ophthalmic acid 9758319.8680 10839436.3100 15402412.4000 16234889.5000 7730808.5000 8461538.0870 11607742.5900 14352538.2500 15903569.7800 15306039.4500 2379806.1340 2451322.3400 5602345.2340 6218226.1720 15463230.8000 16205129.9100 11213238.9800 11392776.7300 7682618.6870 5780809.1890 77473032.8300 80074819.7800 25080036.8100 24800626.4200 28229677.4200 24454082.1800 8704293.8760 12413596.5000 58965532.6900 61182940.7700 49848.1808 51671.0673 54409.0705 56068.6987 13608309.0300 12631407.9700 14211156.3500 13055694.3200
Palmitic acid Palmitic acid 833825.6232 8018787.4850 241796522.7000 200968941.3000 295417.4941 7638582.3260 1019497.4640 101595.2443 42262879.4000 7958782.3710 35994854.0800 85048598.9900 35490941.6200 8528243.7620 182487276.8000 91152814.5600 6133344.7570 5070545.4220 6044574.7330 32650199.7600 12720253.2100 47959126.9900 198264159.6000 206633075.5000 48586277.6800 189794723.3000 3973127.0960 40116192.2000 3139574.8180 1681814.5650 1538138.6880 2217152.5610 6333383.5700 11649270.9500 27082048.3200 36244271.4000 30026985.5300 28853422.6500
Palmitoleic Acid Palmitoleic acid 870936.1924 949943.7017 1401144.1070 1885786.0860 1921165.8070 1731817.6520 1809433.7230 2164382.8080 2388470.1240 2341585.4580 2559349.1470 1987153.5630 1162369.6840 1036242.9400 2219509.1470 1722809.0960 1576489.6080 1087481.2140 2060424.2220 2131362.1100 4440750.4300 3596477.9110 6394954.2200 6677456.0720 8979939.7270 7397825.9880 4484218.0330 3298098.7400 6076674.2700 4255683.5020 13023.3788 15677.0209 25485.1785 21469.9879 2263572.9810 2546259.2230 2500848.1210 2207344.9160
pentahomomethionine Pentahomomethionine 2508121.4820 2626286.4030 2369293.6990 2517841.4670 76884.0668 117860.7771 118017.4810 111505.0028 125840.5800 115310.2862 1085242.3650 919586.2236 155511.2165 137150.8723 8784183.3390 8618034.8260 177196.9529 252618.7217 3416702.1500 140175.8189 328755.6524 9331229.7550 4966169.9150 4812760.5930 3913404.4830 3560264.3160 2169726.9310 2267068.9810 195868.1304 254420.7875 82254.0709 59927.6909 57887.6685 59948.2957 2310950.4940 285613.7569 2494141.1280 2286546.3160
Phenylacetylglycine Phenylacetylglycine 245010261.8000 241330548.3000 325558481.9000 320155815.2000 219361594.4000 215843109.1000 185389203.7000 180557094.6000 902201053.8000 911401281.5000 552682910.4000 517205944.9000 338107808.3000 266539245.1000 106076760.4000 103237892.2000 299536948.4000 304793520.7000 189647973.1000 177227993.8000 427856988 421004266.9000 1060346043 1061612445 271817446.5000 255367147.8000 328646953.4000 342982917.9000 883223862.7000 870063611.8000 580915.0692 514453.0083 670182.0172 588496.0119 316798632.9000 323443867.9000 317609676.9000 318831129.6000
PHENYLBUTYRIC ACID Phenylbutyric acid 31350350.1300 31961816.7000 34411403.7900 34352829.9300 30095849.5400 30011936.1800 33072215.8300 33181926.5800 31612576.6400 32751699.0700 38245298.1400 38326914.4100 27686376.3800 23071908.5500 31240673.8300 30043643.1900 26027371.4800 25108688.3600 30781512.9800 29205961.3500 31770839.8100 30954504.3100 31057869.7500 29895958.0900 30904427.3700 28266825.4600 24482958.4900 24856494.2200 34789184.5600 34221146.9300 236964.2650 1525862.7270 1752476.5720 1663846.8700 4742206.2400 5782759.8060 6310146.3870 4494052.5190
phosphopantothenic acid 1671402.9010 1652087.9820 8153323.9430 7624403.9310 4641536.8200 4883739.9420 14131907.4500 15448752.9200 6524471.7410 6830930.5350 9973567.7090 9533433.1050 6476288.9220 4714003.0240 9609109.7920 8763812.6850 2200799.5030 2138390.8280 4770921.4550 3381586.1820 15001295.9300 15151698.3500 8085158.8840 8289301.5600 10265239.3200 9175114.9170 4898876.3480 4774032.0550 8146482.2260 8353550.0030 29290.8039 30663.7539 29503.7820 46395.6275 5510136.6190 5183520.4750 5763001.8430 5311077.1650
porphobilinogen Porphobilinogen 5871342.3700 5723588.0440 10084229.9100 9068387.2730 10096504.0800 8498449.3650 8773108.8540 8628629.5880 12511505.5800 12857990.8300 10278432.7000 9482486.4540 6877160.3970 9052730.7370 18463043.0700 18532591.8200 11546131.4500 12665398.7000 14550862.9100 11601088.2100 13921873.4300 18344010.5100 12445674.9500 15060244.0200 15003422.6400 12784477.0200 7829280.0360 7734739.1270 18692663.2600 17353041.3700 137592.0650 112576.0735 254681.0679 173416.9655 11378236.0900 8848571.5210 10270908.7000 11361135.3300
Propylparaben Propylparaben 2124937.7770 1910458.8980 1935221.5150 1940744.5160 3806843.8430 5253808.8470 1895742.9990 1956906.5810 2106169.5850 1868957.8820 2085267.9560 1897790.3530 1930065.7150 1440740.1300 1832817.9970 1887798.5290 1667553.9480 1840818.6700 2329007.6590 2145135.2570 1998433.9280 2008331.0410 1936302.8550 1714893.6110 1881938.3040 1973805.3560 2983763.9780 2856902.4990 1793038.3290 2000505.7720 1600192.6850 1457663.5550 1440322.1770 1371356.7280 1455284.1210 1755362.4600 1843117.0260 1485558.7250
Prostaglandin B1 PGB1 372366.7235 414234.5252 810490.2847 844362.8904 1986578.7460 1577168.3850 2279612.0110 2254352.3860 1250695.8220 1101145.1070 930423.7430 948530.6257 1357307.5250 1087331.0850 1098531.5200 938873.2266 1241616.1730 1380130.5770 1235093.7070 998226.0108 2633790.6680 2365476.8380 1136355.1540 1195093.6270 772286.4949 714102.8593 4754983.8560 4610327.3250 1533123.6790 1512630.4290 60527.0624 44635.2510 49846.5249 48259.6718 1047176.8760 1298258.4590 1261478.1090 1068761.0850
Prostaglandin E2 PGE2 33719951.1300 34919833.4900 31114391.8300 31897010.4000 122218314 109304314 27411834.8700 26665910.3700 107354529 107116077.3000 17969454.1200 17733971.5500 20612387.0800 17274346.1400 27811197.1700 26856313.4600 12479592.3100 11261602.1000 32905198.9300 29680251.8500 20541875.6200 22056972.0100 45114182.8200 44423199.5700 50603017.3100 48936290.8800 18251251 16777583.0500 57787929.0100 57228621.6500 154083.1330 110267.5080 121205.1977 121429.5755 28952692.9000 31289724.7900 32731452.1100 28638585.4800
Prostaglandin F3a PGF3alpha 44749.1466 61367.6631 2792153.8460 2865912.6230 141945.9040 85051.0349 1637789.1500 1631689.6110 389479.0232 305269.9590 815913.1688 855403.1374 2109041.6450 1739626.4340 436185.8122 419610.1285 227189.0808 257566.0206 215032.7758 197662.3176 37496517.1100 37308195.3200 14156892.8800 14234259.7300 10516994.2400 10146372.6700 4435249.6010 4523330.6710 7668917.1340 7355006.2450 32122.0320 29476.9380 37727.5709 28498.6412 3939642.6260 3930601.9880 3983878.6530 3921957.6870
Prostaglandin K1 PGK1 130643.4864 197686.9944 115905.3654 126796.5341 166767.2922 148384.1431 149366.0219 142028.2274 153495.1248 148744.8002 147235.1116 148923.8967 193091.7410 154802.9876 164149.8480 169580.9227 201451.4698 343874.9801 188796.0966 176272.5359 15995971.2000 4348385.1760 8484852.4550 8866359.6410 1718966.6270 1614273.2940 1134204.6430 986143.1016 2259316.1490 1665855.7050 87481.7728 72656.7443 80089.6567 87961.6332 669275.7601 527572.3655 740361.6506 596109.1910
Pyruvic acid Pyruvic acid 87595217.6200 64401320.7400 35509716.3100 57945555.4900 108891798.7000 188262061 119808761.4000 124043549.9000 90944681.8000 80210775.0300 170392349.1000 142812996.9000 177426511.3000 134607846.9000 106871237 102198190.5000 96896282.5400 80176879.7900 172579772.3000 76721708.2900 361107336.5000 378551587.1000 71370751.4000 64975904.8400 275038165.6000 253563451 224224219.9000 97571125.3600 89941470.0700 336562617.8000 2831983.8110 1526794.4180 1773265.5700 9657042.7240 117073062.2000 149276257.6000 126214793.2000 128835145.5000
Resolvin E1 Resolvin E1 55038.0840 57919.0618 155812.3796 158970.8511 72741.1960 90829.6165 101506.0840 71810.8233 98218.1790 63097.5960 113426.9059 181989.5228 133258.8032 121569.0878 67560.6824 101959.2990 63149.6543 65487.0188 74251.4292 67271.6080 13713949.8000 13522895.4800 5766725.1830 6188111.6270 3827299.7600 3489547.1210 1685331.0790 1806637.3450 8104302.1720 9062506.5280 46248.1500 39910.9542 39005.4505 40104.0238 1669076.7100 1479016.8320 1639255.2050 1610133.2700
RH0365500 145168.4859 417521.7938 818937.2025 1156229.4380 1151024.8200 1058831.3720 5446887.3580 5317627.8640 2510055.4050 2442248.3620 1514090.5720 1658304.6950 1210746.0190 1041627.2820 1422134.1720 1314296.7950 664817.6783 674100.5862 1289635.9000 1150226.1160 1455484.1590 1421475.4570 1442769.7400 1407828.5310 2169071.0930 1859722.3280 720670.0510 708892.7031 929966.8585 729790.1056 28613.4883 29170.3026 30193.1390 32163.4334 1630286.4210 1190460.3750 1116433.1030 1665244.9360
Salicylic acid Salicylic acid 21989371.7200 22640882.7400 29264364.5100 29279890.1800 25066629.4900 25605251.7800 24019156.2000 24654237.2000 23806979.8100 24249070.6400 16997260.4700 16820739.2800 16992504.6300 13930225.1800 14871688.5800 13814329.9800 13906239.1900 14480541.7200 15639413.0700 14314293.7300 37105423.6800 36905699.7400 39813564.6400 39965193.5600 59399371.6700 52193270.9100 33027967.1400 33574768.7900 52037776.0100 52352386.4900 940008.9365 1011613.4570 1152762.4570 1014880.0660 13397967.2000 12906911.5000 13201462.4000 13302009.7500
sedoheptulose 1_7-bisphosphate Sedoheptulose 1,7-bisphosphate 914741.9641 1139444.9160 2536466.5140 2552505.1900 8122014.5430 9268602.4320 6130104.2190 6609488.8080 5494740.4940 5557019.4910 819010.1275 912207.9940 2824098.9250 3146246.9350 1462678.6210 1858138.5540 3047498 3321388.4880 2273634.0850 2591226.3500 7595665.7490 7772423.6980 4131908.3380 4948402.8030 4686907.0580 6106347.5780 5110164.6700 6268979.4560 10978278.9800 12156864.3500 88354.9324 66087.2828 51595.0047 45816.1615 1737088.9290 3313704.6200 2920820.5310 2170267.8160
Spaglumic acid N-Acetyl-Asp-Glu 60613416.2100 68736870.6600 131362610.1000 127015309.6000 125771963.9000 110403521.3000 149851564.3000 120050930.4000 103990937.8000 107713609.1000 158249610 155528189.4000 249690568.3000 198951110.2000 160145387.5000 143603202 105188828.9000 100907828.4000 176778091.9000 149963383.8000 219850207.9000 58460214.9900 53004020.6300 174520381.3000 273161468.3000 273602775.2000 42600594.2100 165387742.5000 210134652.7000 200099725.2000 367047.5815 314989.6677 442767.4551 349274.4960 173348944.6000 154671907.5000 163605201.2000 170414603.4000
Suberic acid Suberic acid 32387871.6300 31452910.6100 61648461.7000 63661594.2400 21206333.7500 23104328.6600 53503092.4900 51294302.5300 13395935.3800 13683420.8800 53443107.9200 52254082.9000 19755337.9900 16678008.4500 87806109.0500 90926460.7200 25688574.8800 27240808.9500 13320474.6800 14131523.7900 421840888.2000 419195235.2000 76382156.2400 75267684.0600 201122068.3000 182817783.2000 63694049.2200 61792156.6700 158893682 159465324.2000 796736.3529 1069758.1200 751225.7070 588495.8301 62038094.5600 63588161.3600 65732166.3700 61316115.3200
Succinylacetone Succinylacetone 25140247.5700 22777834.4000 75434178.8500 78620616.0100 35077479.5700 29299005.4200 62515191.9000 58575104.3200 16754704.5900 17200611.6400 38602496.5700 42871337.3000 10668237.7200 7930648.5510 220318055.1000 210296518.9000 7696725.3060 7457679.2790 25173678.9600 23008013.4500 52468607.4000 53721984.7100 27513867.4100 27930217.3900 23359797.1700 21955081.4200 15941128.8300 16839253.2600 11870911.7900 11614854.9100 36614.4641 33307.4724 1552997.1990 1374497.3000 23478332.6900 22881096.6700 24653759.1000 22900837.6200
Succinyladenosine Succinyladenosine 12475491.3600 11696211.0900 15530877.2100 15534175.8600 44215475.4500 47522662.1700 33737772.1900 32867205.3700 32474467.0800 34478185.4200 17857657.1800 18700258.4400 27672816.2200 22906455.6800 34323742.1700 34307449.1400 23883577.6800 23702264.4000 31605969.4300 29066849.4700 41637438.1000 42062846.2500 25740521.4100 26337219.1100 37070175.0700 32633389.1100 20274485.8900 19599989.9900 57535608.6800 55423912.7000 353569.5250 30830.6573 176415.1187 274832.2361 24315119.6000 23458784.6700 24209848.9100 24045840.9300
Sulfosalicylic Acid Sulfosalicylic acid 5182942.8130 5117931.1230 3414072.1510 2359887.7470 21195969.8700 26248800.9000 7329500.7220 6640923.7350 23243425.0200 26959120.7700 5386410.3110 5509376.5970 5434030.4320 4778752.8620 8751746.3500 5643835.0390 4682582.6900 4394968.4420 4528885.8860 7443093.3560 16539297.2400 17856596.0900 18571735.4700 12783064.5700 33311575.3100 33499965.7900 8633150.1470 8337818.0870 57203597.3100 116760480.7000 64585.6648 58648.2080 58968.6226 59107.2623 9298462.2610 7965939.3060 10023359.4600 8591262.9970
Sulfuric acid 38257105.0200 34219996.4100 71239274.2300 66165849.0200 140437606.4000 161256858.8000 82461479.1400 86368332.5300 101208215.7000 97486753.6200 40306765.1200 37955934.0900 64806975.7100 72122638.3200 52048286.7900 55895883.6900 80993838.4800 79926124.5700 80397130.7000 84492452.4900 187119399.1000 184832656.8000 119122675.9000 117463016.1000 104463868.6000 124319202.1000 116771923.4000 113537875.9000 233424491.3000 263923461.3000 557698.6232 494964.6985 446301.5920 515176.0602 73146155.6200 79482700.2900 77543909.8100 73973758.3400
Taurine Taurine 2821243040 2393239555 2169675971 1416751978 3527927613 2912647751 3477662166 2777627813 3082251498 2931812861 3568837273 4226741441 4492647579 3870004636 3281361350 4120031020 3206637603 3494378966 3382501002 3483661638 3568354942 2516901544 3294631958 2965103127 2261451099 2807638697 3519504269 3527868604 3800698908 3975174444 22052388.5500 17103204.0900 18251980.7500 18502018.0600 3936864715 2109781547 2764263269 3515829614
Tetradecanedioic acid Tetradecanedioic acid 3377478.3800 3349043.9320 4208659.1880 5088002.1970 5412224.3460 6214966.5240 6784062.7920 6730779.7060 4617391.6900 3999971.7440 4422367.4380 4917584.7560 5561655.9580 4604150.6080 7567195.3290 6987876.9400 3437850.4890 3403797.6770 4327483.8300 4150191.4070 5727990.9350 5863263.0420 6186984.1820 6457476.0930 8575953.7400 6940156.5250 7364221.0200 8919144.6750 6759001.3570 6416530.7650 660512.2742 643231.7022 648111.3457 718399.7945 3895417.1000 5213288.5710 4597511.5480 4108985.3100
THREONIC ACID_ L- 135230790.6000 120101580.1000 173569221.6000 167832168.1000 176628166.9000 190555940 213266879.1000 178266909.3000 159513241 168614093.9000 183694101.9000 254402950.1000 261819351.1000 219970607.7000 296409808.5000 293184548.7000 217662675.6000 208259792.2000 218410410.5000 194855464.7000 407201706.6000 432822659.8000 353124006.4000 327960870.9000 304685465 309700226.6000 302694746.3000 264905516.6000 310314346.8000 314086284.2000 1416292.5130 2102618.9560 1379048.3540 1870169.3560 267322229.5000 269195587.9000 268645068.2000 267522638.9000
Threonylleucine Thr-Leu 1295947.4220 1608538.0200 827122.4430 786389.7394 2110827.5680 1857326.5850 1373342.1540 1228190.8350 2995286.0700 3180166.0860 537017.9540 533276.1747 647743.8668 559988.1927 674083.7290 687587.5546 790576.6586 817670.9171 683047.5366 593486.1603 1109757.9520 1077140.7260 822031.2411 906704.2969 478554.9239 478606.1067 2226234.1970 1946200.7870 802139.5941 839460.3506 303889.7317 246379.7365 323545.8593 312514.3389 963453.4344 866723.9290 813848.9919 990629.2820
Traumatic Acid Traumatic acid 138871962.6000 92324484.7000 4945385.1750 19424376 15186130.2700 20763706.3900 12818851.0800 18824738.3000 15708093.2000 12989352.9900 11980143.6400 36454497.7500 69086171.4200 50206414.6000 264280.5823 670126.0654 72000276.6700 37971362.5300 46479440.2900 42576154.1800 23846096.7900 16096891.8100 14336686.7000 21001642.9600 5072051.1210 14505564.7300 31885166.6800 25347193.3700 17245104.6600 18461472.6600 4080365.8050 10011657.5600 11291615.7200 7335171.8340 77078847.2900 15401597.4700 16590334.1300 15627067.7100
trp-glu Trp-Glu 1323042.7320 1073490.2680 1034022.6230 1299982.0020 3140988.9400 3009964.2320 3484803.2830 2920809.7520 1579784.5790 1797198.3090 2089635.9790 1883803.9780 3075198.2190 2502801.2100 3669502.8300 3281753.3170 3051006.1270 2708685.6600 2294908.7900 2070554.7430 4202103.6380 4151920.6020 2772108.8600 2131893.3850 2464586.2290 2242483.2640 1734979.4370 1533136.1840 5593884.9770 5758520.5170 35208.4628 30865.9613 28984.3134 27443.7424 2452665.4730 2907972.0370 2886427.3720 2513351.4710
Val-Leu Val-Leu 309817.6590 314002.8450 283952.9244 223705.5257 845800.2055 937670.9213 682311.0974 633154.1258 392749.2673 352404.4564 691937.8994 672660.8753 902452.4714 803189.4034 1229576.1700 1155222.8920 706028.7238 759077.3599 921155.2542 768264.6013 862367.5859 832691.1183 736727.3914 678878.2296 1554026.0290 1464860.7630 1647154.5020 1709028.3410 11099171.5800 10781899.1600 53376.2182 51549.3654 51959.5379 52840.3624 1020598.4850 1149183.5390 978584.0534 1079597.2660
Vitamin C Vitamin C 2245088.4890 1887397.6150 34183232.7200 32949566.0700 17105127.7100 13013267.8700 33629852.1400 29860022.6400 37190817.1700 34559922.2400 21943862.7200 20914202.0400 65102773.6500 42587591.8100 99831298.2700 89035893.3500 6459152.6290 5811286.2580 8247029.8620 9362492.4030 163713467.5000 161613404.7000 97130930.6300 91734740.7700 128112334.9000 99257708.9200 83000744.8500 81409005.0500 169335353.6000 167004469.2000 962196.7789 1019687.3150 1069157.7990 1110018.9420 38148404.0200 34158696 37694826.0200 36996901.3600
Z-Maleylacetic acid 1248222.6710 1207877.0430 2194618.6030 1990254.8070 2108354.9620 1451557.0710 4226139.2260 2472945.3850 3465902.3360 3477364.6360 1635121.9610 2429815.2530 1367701.0470 5259495.0740 10321660.5200 9104752.2240 1830403.5410 1082642.3590 1928800.2020 2088319.0890 23903719.3600 23803021.3100 12753201.5600 9803233.5180 13809224.9800 11671991.5700 9789620.6240 8218611.1290 20834611.8000 20067290.8900 63721.8237 48415.2725 46691.7749 41766.9673 4978266.2960 6228285.9470 4666502.4400 5542253.1460