Metabolite_name RefMet_name 20220113_Cowley3_Cortex_12_29-413_HILICpos 20220113_Cowley3_Cortex_12_29-413_HILICpos_rep 20220113_Cowley3_Cortex_1_27-406_HILICpos 20220113_Cowley3_Cortex_1_27-406_HILICpos_rep 20220113_Cowley3_Cortex_13_21-391_HILICpos 20220113_Cowley3_Cortex_13_21-391_HILICpos_rep 20220113_Cowley3_Cortex_2_23-402_HILICpos 20220113_Cowley3_Cortex_2_23-402_HILICpos_rep 20220113_Cowley3_Cortex_3_25-405_HILICpos 20220113_Cowley3_Cortex_3_25-405_HILICpos_rep 20220113_Cowley3_Cortex_11_11-417_HILICpos 20220113_Cowley3_Cortex_11_11-417_HILICpos_rep 20220113_Cowley3_Cortex_14_13-421_HILICpos 20220113_Cowley3_Cortex_14_13-421_HILICpos_rep 20220113_Cowley3_Cortex_4_19-463_HILICpos 20220113_Cowley3_Cortex_4_9-463_HILICpos_rep 20220113_Cowley3_Cortex_6_17-434_HILICpos 20220113_Cowley3_Cortex_6_17-434_HILICpos_rep 20220113_Cowley3_Cortex_8_15-429_HILICpos 20220113_Cowley3_Cortex_8_15-429_HILICpos_rep 20220113_Cowley3_Cortex_10_9-470_HILICpos 20220113_Cowley3_Cortex_10_9-470_HILICpos_rep 20220113_Cowley3_Cortex_15_5-468_HILICpos 20220113_Cowley3_Cortex_15_5-468_HILICpos_rep 20220113_Cowley3_Cortex_5_1-466_HILICpos 20220113_Cowley3_Cortex_5_1-466_HILICpos_rep 20220113_Cowley3_Cortex_7_7-469_HILICpos 20220113_Cowley3_Cortex_7_7-469_HILICpos_rep 20220113_Cowley3_Cortex_9_3-467_HILICpos 20220113_Cowley3_Cortex_9_3-467_HILICpos_rep 20220113_Cowley3_Cortex_QC-Pool_HILICpos_10uL_1_20220114125731 20220113_Cowley3_Cortex_QC-Pool_HILICpos_10uL_2 20220113_Cowley3_Cortex_QC-Pool_HILICpos_10uL_3 20220113_Cowley3_Cortex_QC-Pool_HILICpos_10uL_4 20220113_Cowley3_Blank_HILICpos_1_20220114102319 20220113_Cowley3_Blank_HILICpos_2 20220113_Cowley3_Blank_HILICpos_3 20220113_Cowley3_Blank_HILICpos_4
Factors - Treatment:HS14 | Source:Cortex Treatment:HS14 | Source:Cortex Treatment:HS14 | Source:Cortex Treatment:HS14 | Source:Cortex Treatment:HS14 | Source:Cortex Treatment:HS14 | Source:Cortex Treatment:HS14 | Source:Cortex Treatment:HS14 | Source:Cortex Treatment:HS14 | Source:Cortex Treatment:HS14 | Source:Cortex Treatment:HS21 | Source:Cortex Treatment:HS21 | Source:Cortex Treatment:HS21 | Source:Cortex Treatment:HS21 | Source:Cortex Treatment:HS21 | Source:Cortex Treatment:HS21 | Source:Cortex Treatment:HS21 | Source:Cortex Treatment:HS21 | Source:Cortex Treatment:HS21 | Source:Cortex Treatment:HS21 | Source:Cortex Treatment:LS | Source:Cortex Treatment:LS | Source:Cortex Treatment:LS | Source:Cortex Treatment:LS | Source:Cortex Treatment:LS | Source:Cortex Treatment:LS | Source:Cortex Treatment:LS | Source:Cortex Treatment:LS | Source:Cortex Treatment:LS | Source:Cortex Treatment:LS | Source:Cortex Treatment:n/a | Source:Cortex Pool Treatment:n/a | Source:Cortex Pool Treatment:n/a | Source:Cortex Pool Treatment:n/a | Source:Cortex Pool Treatment:n/a | Source:n/a Treatment:n/a | Source:n/a Treatment:n/a | Source:n/a Treatment:n/a | Source:n/a
(+/-)11(12)-EET 11,12-EpETrE 16548605.7700 14317223.8600 19581259.7200 21846554.9100 18933998.5600 10497777.7500 26857112.0900 18882093.2500 19597205.5900 17022015.7400 19172261.8100 13967134.8600 22277946.5200 17145768.9900 26119009.1500 18473800.9400 22424122.3800 13913402.2600 28246594.7400 15710577.1600 14568003.0500 8895993.7060 19339732.0400 12829174.5100 20494401.4000 12254696.2000 20368523.4100 16039944.1100 18790020.8900 11707992.4400 22965559.6000 21300288.3100 20990933.6500 22266119.3600 268015.3409 173482.6285 106226.0421 89688.8557
1_1_6-Trimethyl-1_2-dihydronaphthalene 34465333.3200 32383866.3700 62746665.0700 56973321.8400 39940835.8600 22994865.4300 44091463.0400 29301945.2500 91984208.3700 87800229.9500 12099437.8000 8814402.3480 14211399.2900 12260426.3400 12025033.3400 8931588.8990 7425011.0040 5753914.9500 10040775.7400 5889796.6810 36926237.3700 26367458.6300 41549608.7200 30172128.9100 92802573.3400 60092905.7500 53530906.7000 41663737.3000 67873857.8100 44411317.2400 42571846.9800 46953908.6000 44396415.5800 43774050.5300 1375403.7680 1149840.3840 853974.9329 1368158.2460
11-Aminoundecanoic acid 11-Aminoundecanoic acid 4206050.1770 3410049.9610 6420577.2360 5674445.1770 2918659.9740 1473648.6070 3770206.1600 2952819.5290 12452058.3200 10789340.1100 1144088.5770 821758.7751 1113545.6210 883908.1027 1170654.8310 765192.0965 973459.0791 481770.5916 987768.7759 806585.1164 3769713.4360 1979047.4480 3130991.4630 1898791.5150 6130171.3640 4134523.5000 4775475.7020 3664261.1170 4860995.4590 3746434.8840 633599.5389 2456018.2230 2648355.8210 2506577.5150 122591.4075 146291.2332 493957.7556 477369.7012
11-Nitro-1-undecene 6996930.1610 4620877.4790 9058334.7770 10083878.4600 5530889.3990 3530531.5140 6654885.1380 5889640.3710 13570673.9300 16019440.7700 8001741.2700 6121521.2880 9758770.2480 7088773.3970 6280105.0770 4401680.1290 3516145.7800 3677942.1190 4667150.5550 2888673.6350 10153734.4400 8408750.7920 7448358.1350 5155495.3590 13451494.3400 8285826.5370 8263637.5660 6854161.0050 15685298.1700 10790324.4800 90327.4804 10421246.2300 10298121.6500 10391407.6200 87811.3638 3051890.4880 75861.3397 74071.2304
1_2_3_4-Tetrahydro-β-carboline-3-carboxylic acid 1850483.8020 1210526.0700 4647640.5380 3024936.3870 2572652.2120 1471373.2690 3082770.2070 2711659.5950 2477763.3100 2339949.5070 5466024.1560 3968609.0660 2756297.9170 1921009.9840 3707727.0490 2291807.9750 1800579.9160 1398542.4690 3465271.8240 2105734.5160 2675761.9060 2009918.1550 2439574.4720 1676497.4390 1059997.3710 825514.2991 2130980.4470 1355799.8080 1409869.7160 747845.7133 548531.6942 2630702.7640 2805363.8600 2692506.5470 143946.9492 45593.0325 74084.8313 24824.6611
1_2_3_4-Tetramethyl-1_3-cyclopentadiene 19117102.4800 11398556.4400 19885912.6100 18523464.9700 17618614.4200 10399529.4300 18174848.3400 15069351.2800 22041763.2200 18010607.6700 10743842.1200 8369711.3800 13900435.9500 10735741.0200 15132303.4500 9822743.3990 11396444.7600 7996430.0590 16021118.8800 9837151.7800 10452264.0200 9064996.2420 16977174.7300 10679943.6000 20611816.3100 12370087.4700 17631107.1100 13213886.4500 19519537.7900 11860158.5900 17093452.9700 16666908.4800 15687658.3500 17010339.6400 8995248.6870 91481.9740 89361.3144 76835.0363
1-(2_5-Dimethyl-3-thienyl)ethanone 128661.5403 53671.0938 5605432.3430 2315308.3310 233111.1951 213732.7082 396257.8709 312385.3980 243940.0329 218734.4882 206451.2139 244154.0314 94265.4864 46521.3784 1853800.6610 1491262.1790 114300.8640 90570.7370 61759.3019 40747.0903 535342.9036 538078.7480 511638.2522 513503.3314 838063.4450 689037.3149 1005681.4440 950582.5141 547718.9171 456531.5994 832883.8079 405969.5627 415392.9834 756860.6445 17218.1827 17416.1013 17858.9100 38604.9598
1_3_5-Heptatriene 10358951.5600 7600512.4340 11765917.4800 12935657.0400 8987901.3730 5845302.8840 9538676.4740 7599582.7390 19508429.3000 16760961.9700 4563729.9740 3435441.1770 5121218.7250 4160465.5610 4552328.1980 3200160.3810 3850137.2010 2500752.3650 4538533.1140 2340010.4520 8582698.9700 6109530.6340 9917639.2210 6978536.7510 18428040.8400 11836736.3200 12455675.7300 9035717.8140 15834724.2700 9007423.6750 87701.5697 10931736.4300 10122335.9200 10774812.5900 71095.6346 79181.6077 70918.8234 81643.7791
1-(3-Amino-2_3-dideoxypentofuranosyl)-5-methyl-2_4(1H_3H)-pyrimidinedione 5549784.0280 6007143.1870 4889562.5420 11151339.4100 8071296.9680 5931492.8910 9586859.2710 5953680.0230 13451039.7900 12578590.4200 15428999.1400 8986501.6370 11774741.8300 7790155.7670 9963191.4150 8384225.0130 14127644.6200 6936661.6130 8107202.5000 6198011.8420 14687317.4500 8166125.0880 12183338.7700 5114296.6890 5703512.9310 11283556.3800 9371329.2870 10380280.1800 5391716.3200 7307220.0570 12029204.5500 8283571.6110 9819752.9470 10836098.6300 27413.4492 25066.2261 22799.1407 23429.7855
1-(4-Hydroxyphenyl)-1-decene-3_5-dione 197679.0565 171835.9016 467159.4618 262846.7085 215606.2027 140791.1498 7150580.9350 5884470.3420 1533194.6190 1458104.0260 226341.0304 252459.9079 245989.7057 181567.7581 197077.5590 250510.6347 4527066.4390 3408409.4480 228557.9813 161434.3891 6808255.2590 4719354.7060 9405155.1560 8731933.2310 5916889.2340 4760862.2110 6444030.5850 9343528.2060 4988249.0890 5160479.7140 221050.2753 4533920.7000 4204391.4710 4463570.7110 50092.5000 116711.1885 59266.7848 103202.4935
1-(4-nitrophenyl)piperidine 572627.8753 583901.5107 848888.6008 424544.2589 754885.1340 210769.5194 2867451.7620 2387247.7160 616912.3042 427420.9099 1234963.7840 751198.5873 1338989.6700 865904.7665 365014.9003 152718.2087 279399.1516 158143.3870 1554072.2960 1012724.4580 18675367.0400 8850767.1900 12603717 5899242.8660 11998150.0100 5423783.8850 11728676.6300 6585225.5640 9197579.8110 4403663.6170 1274553.9770 5403959.0430 4346436.1420 5116801.6860 52321.5834 42362.9382 35563.6646 32419.7048
15-(5-hydroxy-6-methylhept-6-en-2-yl)-7_7_12_16-tetramethylpentacyclo[9.7.0.0Âa_Âl.0Âl_â¸.0ÂaÂ?_Âaâ¶]octadecan-6-ol 2575431.8570 2063461.9070 1898695.4040 1806232.8280 1850115.9710 1078431.7130 2802255.8940 2050998.0790 2590989.2900 2316612.9070 1930837.3940 1440956.7550 2016473.4220 2172710.7230 4056274.5480 2900705.9140 2634597.2460 1872728.0400 3374295.7410 2031521.7860 1661676.1510 1365611.3590 3733612.8610 2742704.5930 1759326.7700 1346743.7260 8167738.7630 6234219.9150 2347166.3550 1662374.1030 2238237.4020 2746782.4590 2469567.5360 2385665.0970 39364.8097 38833.6199 37785.4833 42693.7179
1_5_7-Trimethyltetralin 7457298.3680 5327137.5190 10337476.7700 6229756.8180 6126805.3970 3835465.5930 7431148.2280 6085531.4760 12828396.9200 13276292.4600 4124041.6640 2820436.3190 4208561.5680 2956661.5790 3582925.6490 2364925.8620 2617302.9310 1951676.8200 3448586.5570 2219428.4490 6092500.6000 4137353.5450 6806772.7140 5066592.7890 13787165.5400 8115883.7220 8563192.5180 6763148.9600 8964491.5600 6526569.5650 72415.2034 6888053.6570 6013892.7980 6680312.8200 541875.3328 392414.3259 431146.6666 465925.5679
1_5-Naphthalenediamine 1,5-Naphthalenediamine 10195568.8300 6206857.2450 8074146.5180 11546542.7400 13277317.5400 4761366.4260 11604401.0900 9883718.5650 11815971.7000 10199604.4700 10710195.3200 7441465.5410 8446777.4910 6270701.2850 11837052.5900 5928525.6890 10328950.5600 6266484.5760 10042689.8200 5254235.7490 9179250.2180 5971973.1660 9833824.4740 5677062.9590 10404853.9900 4966372.8440 9774288.7510 6228739.5930 10104288.3600 4152471.9320 12690974.2300 9944647.6600 9775081.6970 12128089.7200 32217.2763 32314.2204 31804.9908 35616.1308
15(R)-Lipoxin A4 10147158.1600 6835247.7030 15974016.8400 12512651.7400 7648866.3360 3812597.5150 11987692.2500 12210552.1000 11438076.9600 11195808.3000 10319232.3300 7199465.9460 8120860.1190 6058748.7920 14350162.2500 8485334.5270 10827409.7400 7278607.7160 13806869.3400 8317072.2270 8440510.7810 7053331.8380 8795473.9150 5615787.9110 10324370.3200 6942348.9840 9621439.4670 8106832.7020 7426382.5930 4000487.9000 99956.8678 9694620.2460 8862409.2020 9436766.5650 111220.4491 75799.1410 62638.5122 50856.1623
1-(6-hydroxy-3-pyridyl)-4-(methylamino)butan-1-one 9325033.9230 6829360.9320 17505726.9400 25199623.2400 15329494.3000 8528824.2770 16709088.8400 13194161.3400 11627847.2400 9490846.3920 20444239.6100 15922472.6300 7128760.2120 5033293.0180 12479363.9600 9180568.4540 8834937.8480 6126199.6940 11501947.6700 7289500.8260 15560149.8800 10589774.1500 10722131.0200 7959498.7060 6402087.2480 4366800.3470 10154428.1700 7572933.1050 7355667.0150 5427735.2850 11044923.8200 8609990.6900 7534169.4940 10634943.6900 34497.1941 83465.4888 20328.8407 78721.1186
(1E)-N-Hydroxy-4-(methylsulfanyl)-1-butanimine 4844595.8330 2976998.2910 387951.9490 547419.9211 803468.1113 443885.8821 1571831.2960 1209611.7550 416116.3920 661428.0721 106173641.1000 70751718.2900 903048.5720 747538.6568 1877441.7040 1314225.4730 52183651.5500 29105222.9300 1666125.7100 912523.3904 565256.8361 752623.5095 1100551.3350 865537.8743 595124.4286 695479.2519 1022475.9980 895931.2333 1087798.7980 832209.3037 12816648.6800 13829589.1900 13289408.0600 13162408.2500 154831.4862 181054.1260 193630.7082 205707.0819
1-Hexadecanoylpyrrolidine 10476355.5000 7634754.5490 2082596.7030 2243647.2610 5658707.5880 3191096.2390 1293599.5170 874970.0947 3211742.1460 2432905.6730 10122916.0400 7571273.0370 11587902.2300 7743110.6700 12235818.5400 7804148.1220 6687500.5430 4195408.1920 10533104.9900 5697406.1670 2244308.8400 1842836.6980 2203518.2280 1461563.9950 2793789.1170 1802263.8370 4138053.7850 2811008.1700 26595500.0500 18838237.3100 10388487.4800 10950231.1400 10051475.4900 10607792.1400 531718.7724 489514.8701 342958.0321 447578.8142
1-Linoleoyl glycerol MG 18:2 7246709.8310 5148802.0130 8075734.8660 7605142.0230 7691910.6120 5016670.7760 8177721.2960 6302002.7060 6077997.8580 6423006.4240 6573289.5670 4785694.5780 5176286.5340 3675187.0040 6889761.0540 5763319.6170 6054269.0880 4833451.5060 7127249.3860 3570371.9660 6394095.7430 5286104.6220 10428476.6900 6630115.5560 10992923.8100 8243866.4140 8377336.8560 7396509.2750 10935042.5200 9594558.4220 6737225.8280 6300130.2480 6363153.2460 6626124.4350 353843.9431 390679.6194 53683.1358 186050.4541
1-Methylhistidine 1-Methylhistidine 38695573.9100 19439386.4200 41658008.1300 24755077.8400 68859204.9600 8103363.3170 49359922.7000 29518360.8500 22693359.6100 12308408.2800 25070794.6700 12645356.3200 29290208.5500 17300799.8900 50411308.0100 23344849.7800 34064154.7100 12597677.8000 50551303.3000 13915428.3000 52019835.3900 13090642.1600 45329249.4300 24417080.3600 44205654.9500 11636022.9100 44558374.8600 17384603.8800 24654486.3200 15421728.4800 20921758.1900 15896594.5200 17751728.7100 20771273.9500 31877.4952 39092.8794 43352.6601 72359.1118
1-Methylimidazoleacetic acid 32196344.9400 21422882.0300 72788892.8900 62176174.3100 81679222.8100 38290303.7700 126735417.7000 109449038.5000 26295514.6500 24564311.2300 39050958.8500 27891458.0400 30100592.3400 23626766.5700 32335958.6100 19711357.8400 137160042.8000 89098842.1300 30048889.1600 19492253.9000 66350907.2500 45690056.8800 107761575.9000 69540722.2500 127915691.4000 78699917.4900 62411766.2100 51317402.9800 157776505 93017248.8700 85192077.3900 89146861.9600 79192549.6900 86924087.5900 77255.0312 88715.5638 66218.6016 78846.8071
1-Pentofuranosyl-2_4(1H_3H)-pyrimidinedione 3282026.8380 2815439.2120 4823055.9390 3619255.2460 4348708.7120 2066499.2760 4432778.6790 4282959.4810 3188428.5110 3136849.6220 3798018.6430 2886710.5450 3346891.7420 2206850.9100 3281433.9300 2304394.1920 3758426.6780 2501604.8770 5352634.3340 3590452.9710 5725984.5390 4166315.7140 4915158.3710 2954293.8120 4786103.8760 3110943.7620 5660112.6600 4089837.7090 5260633.8490 3224984.8440 4848456.4040 4396879.1400 4680727.0510 4711146.8820 32452.1519 31560.3398 29390.2971 32071.7765
1-Piperideine 1-Piperideine 2387066.9180 2202320.8950 715713.4870 3342735.5740 834677.7935 641374.7412 2932815.5330 2632889.8210 2421019.9250 2211311.9090 836160.4545 600196.5066 626376.3184 565856.0583 5304198.4580 3521941.2610 948620.4000 736240.2208 916982.6037 680638.8161 8998660.9800 7428187.1920 10043746.4500 6333804.8790 19213775.5000 13949712.0100 4776635.1770 4197511.9820 12285067.7300 8659291.1380 299477.7729 5655762.8530 4767913.6770 5414752.5590 93347.3895 41709.8817 65492.4175 31543.6811
1-Vinylimidazole 148171567.3000 64495315.5000 133867573.2000 116949987.6000 86491477.4900 28839002.3600 69490906.9600 64146241.1300 54626647.0600 91197661.2800 76249304.7400 41427489.9100 77955439.1700 39745376.8800 38659223.6900 39891963.8200 93960466.7700 37078395.9900 68607506.1600 33361307.9400 117635010.5000 35722627.9900 228839858.1000 119417868 133310019.1000 49763588.3600 121898123.5000 107837468.6000 313813437.8000 114957130.2000 129567477.9000 142229218.7000 107944741 137219516.6000 89423.5313 97982.8341 99364.6416 115751.5222
2_2_6_6-Tetramethyl-4-piperidinol 31431953.2600 20206064.7100 30140390.4200 31317146.6500 36032470.3300 12191072.7300 34175820.1400 26590083.0100 36069970.0600 29753705.5100 19083408.0800 10546465.7700 16532655.9300 10203962.4100 24719725.2900 13865026.0900 20203003.2200 11430557.0100 19165766.4300 10190824.8600 35545376.8800 18668774.6600 31051672.7700 15045573.4800 28732474.4600 13712574.8500 35388236.1700 22067003.6600 49145333.9700 24255284.0100 28377674.6500 25463962.0200 25344989.6100 27486580.4400 5614639.9730 5478550.3190 5212659.7970 5772002.5890
2-(2-amino-3-methylbutanamido)-3-phenylpropanoic acid 3206654.8210 1829474.7060 3463821.2550 4283297.8990 7857843.6030 1851647.3090 4638785.5290 3320966.4030 3870674.4540 3185933.5230 8798824.3640 4315936.6660 9479466.3430 5356489.3750 10097192.6300 4471083.1750 10313293.2200 5222068.6930 13450931.6300 5723432.8570 5149312.5980 2774299.1380 6472347.8230 2800058.4790 5528784.3290 2606049.9620 5656540.4250 3501051.3050 4638163.2680 1944810.5990 5770635.8110 5587033.1710 5302716.6870 5739469.7280 45434.3231 80866.5071 37316.8787 26720.7610
2_2^-Iminodipropan-1-ol 107199297.3000 70999837.3000 71623193.3600 114657717.3000 170546360.8000 54469436.6700 125059297.9000 97122944.0100 147866050.5000 135929676.1000 317751026.2000 193563386.4000 179291525.2000 106808183.7000 278064490.9000 171331777.8000 297765746.6000 160934536.3000 243525897.8000 113139161.7000 3144284539 1874484121 1373439135 819086306.5000 1066883675 587976877.4000 1629852434 1061413315 1576134856 760978093.9000 883642938 909625954 808076859.8000 897395500.7000 54447.8643 48655.8275 51626.2646 46896.6277
235BBF3K97 27293226.1400 20343566.2500 21325522.1900 20519928.1600 25340667.1900 18690890.6400 19402150.5400 15363890.7100 19521033.1400 15522767.0300 20638017.6300 14973660.7900 20819207.1900 15193279.8100 15663143.1100 12331814.5100 21061333.5100 15675992.6600 19953748.8600 13983384.5700 19081926.8300 14402414.2800 31234206.6400 21919319.0300 21632243.4700 12277195.3500 32080618.0400 27369864.7400 26416505.3500 15945586.5600 17998983.2500 18807880.6900 22719660.1100 17620100.1900 237962.5333 229146.4520 238445.6226 260372.6879
2_3-Methyleneglutaric acid 38223.1230 33027.7959 69783.4186 54346.2754 72086.5787 74448.7201 41021.7999 32310.1098 60151.4557 50213.3947 4071017.4500 2113037.7480 35313.6710 30350.4114 43956.4933 38703.4853 39156.5720 36889.8232 47477.8229 65344.8297 66994.7653 51072.5203 48100.7863 49829.9595 61053.8450 45132.7569 46938.5579 37403.5759 59923.0313 38545.3116 317258.9012 252156.2133 197622.1172 312095.9655 39242.0984 39177.6904 42818.7764 54269.7143
2-(3-Phenylpropyl)tetrahydrofuran 93816107.9400 84420374.8500 171053625.8000 154823968.5000 107161168.6000 59380590.1500 116635501.5000 90683975.8100 249809643.3000 239161794.2000 33100219.8100 27135250.7100 44880203.3600 34869291.0100 34714980.3000 25262480.3900 20152381.0200 17006978.1800 27199010.8400 16887306.9400 98776069.5400 70617103.1700 104901248.1000 77083489.6700 245591093 159172472.4000 143682672.6000 110600028.9000 178108135.4000 117653334 119136141.5000 124531214.2000 116103672.7000 121252038.2000 1564600.7950 1517247.1380 1231663.5730 1440813.3460
2_4_5-Trimethoxybenzaldehyde 6892805.0940 5670053.4810 7210854.5780 6563003.1870 5437160.8680 3442668.6510 7426331.3180 5708281.9160 8196275.1870 8248493.7720 10711439.2300 8056329.0700 9615672.2480 7118908.5070 11317480.8300 9444149.0280 12206437.7900 8801030.6320 13658989.3400 8629982.8640 7197424.7150 4487402.8140 6813187.8830 5317633.3830 6710070.5030 4832028.2870 8590642.1540 6608243.6130 7577817.8890 5453977.1190 85421.0426 7229096.6440 6149170.6040 6950526.4400 84972.1301 74933.2991 68496.3636 66213.6601
2_4-DIMETHYL-2-IMIDAZOLINE 1870262.4420 988165.1626 486267.4708 742193.1512 905364.6174 451386.4963 794627.6481 625875.0946 1200370.5700 720818.3862 1881198.1860 1351086.1300 1551090.4220 1170575.8360 868253.1323 682498.2329 1468369.3730 1102972.6650 3354041.4680 1450875.7540 4007890.2920 2511399.6270 6381382.4660 3897039.2370 14850607.1200 8333193.2250 3979761.6030 3398864.8150 8442496.9640 5144862.4600 531724.3985 3564179.1620 3040921.3090 3422201.5840 38133.8396 50956.8085 27896.6331 56137.4747
2_4-Dimethyl-5_6_7_8-tetrahydroquinoline 245362.3036 262528.3768 311636.4253 471573.6480 460896.0897 237747.8476 1431571.8700 1580003.1500 323378.4669 290443.4032 365236.2820 249786.2800 397562.9572 322023.9433 2255782.0920 1457905.5150 524321.9293 438348.5654 790263.4210 652767.6484 3896468.0370 2702823.8460 673722.1107 732531.7661 2552828.9020 1672757.5500 1334889.9140 1113004.1190 2550023.1320 2124191.1770 697555.2833 1571040.5950 1190629.1920 1086045.2830 27149.4663 160622.8324 1664733.5070 13029.6160
2_6-Dimethylpyrazine 977998725.8000 573334709.1000 394068530.8000 295514707 401268186.7000 11848750.0600 428053304.8000 284820406.8000 466842853.2000 355610377.5000 381793825.9000 200171033.9000 230757358 139272395.6000 333985513.8000 124295635.1000 243661455.6000 110551685.1000 275846647.1000 108931542.2000 515488763.4000 274463825.6000 628230478.5000 317539602.8000 519734987.7000 212581729.9000 289446592.3000 228424838.2000 364735775.4000 160881568.4000 367836340.4000 309031428.4000 299490166.9000 352531200.8000 115219.6274 87884.5005 109196.9193 78564.4444
2-Acetyl-4-methylpyridine 23597350.9600 13231302.1600 20824737.4200 22168226.4000 40319103.2400 10760710.9800 26466373.7200 20124499 22654156.3900 22066264.1900 21323149.6700 11717685 19634174.0400 10977054.3900 16956833.2500 9173916.4190 17603291.4000 8433662.3440 20190278.5500 8319985.6360 26536763.3200 14057592.2800 34305890.3500 12147654.5300 34623141.2600 14767202.6000 27210407.3900 13990153.1300 28993690.8000 11080880.3600 25566267.6700 24731191.6200 21766043.0700 25513004.1500 31925.5437 27524.9784 70787.5581 26042.7665
2^-Amino-2_3-biphenyldiol 9370658.4880 6410160.7820 985444.3096 17230190.9300 14084846.6400 4933342.0330 15682992.0200 11392127.3300 16504613.9100 13562747.2500 29336659.2700 15962735.6200 24903093.9000 14106055.0600 42116175.1500 24204988.0700 46109245.6000 27297623.0400 40761051.2500 20666166.5200 11478396.2400 6100830.1270 11287813.7500 5651268.5330 11233798.5500 5087822.9910 14620450.1900 8583797.9390 11497607.9000 5389179.1860 2167428.8970 21015425.7300 16389798.0100 19658570.2300 467551.5607 383911.4565 323421.0098 269234.5826
2-Amino-3-methoxybenzoic acid 3-Methoxyanthranilic acid 19371279.6600 11269202.1000 20283564.9200 40274152.9500 32118509.1200 11345462.5300 34789399.2900 24449361.5800 31624639.0200 19188290.0800 24452627.2000 16048877.6500 15821708.3800 10512619.3600 37306184.8700 22002360.6800 24228045.5400 11815679.9500 24982397.4000 13698042.6800 21587819.8700 14403819.6000 18844750.5500 12919160.4100 23957227.7400 17876670.2800 21853038.1000 15620519.0100 24434816.5400 11600868.9700 23032407.5100 19454037.7000 14847596.7600 22376677.1000 134893.4652 140795.9557 120042.4339 144015.1250
2-Amino-6-({[2_3_4-trihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]methyl}amino)hexanoic acid (non-preferred name) 14132269.3500 15015318.3700 13667812.0900 15666694.3000 61557203.8000 34630152.0900 10080337.4900 14393907.5500 10476626.9800 10458876.5300 23276186.8000 29509409.9800 18428834.6000 17482332.0200 21017246.1000 21372676.9600 12492804.1500 11935638.2400 25526726.3200 15733544.6800 15646135.5100 13686183.9900 22252793.7800 16548966.5000 12506234.6000 7938998.9590 19891795.2700 13774562.0800 17654592.6800 11353844.1300 385766.7309 10337534.9800 13831042.4900 10489364.8900 75180.5944 92421.1451 107185.8221 171247.0278
2-Aminoisobutyric acid Aminoisobutyric acid 422447.6342 316524.9212 347406.6367 1986493.3360 685986.5875 1936919.4460 483708.5292 398425.2157 413876.8273 371550.1848 16860408.2100 9513473.7110 460702.2232 3531021.3050 500560.5054 2897944.3810 503135.0298 308199.0172 427086.7419 295408.0429 527564.8674 375226.2163 322096.0024 616607.3003 274139.7457 203468.4307 368473.8657 388216.9711 295448.7125 192451.5033 56039833.4800 41265513.5700 891175.3712 51478384.3600 174266.7563 168752.5486 179877.7543 33967.1613
2-Amino-N_N-diethylacetamide 196348.5683 109996.7132 799532.5090 727410.7793 334806.0962 138915.6223 118442527.2000 91974218.8600 317476.8254 231052.8949 6183470.9870 3240693.8030 2220375.8300 1442112.6380 2111045.1750 1172906.0120 2011085.2100 1418666.1030 2583641.5110 1594320.7810 267006.7034 234349.7014 153559.0731 92386.2396 331462.7118 278504.1963 877290.6335 629605.3826 504606.3213 224368.6923 202356.2582 10905271.7900 8790462.9820 10303828.5500 41253.4947 82849.1604 97143.4249 43820.9120
2-Aminooctadec-4-yne-1_3-diol 13293467.4700 8356566.8930 13559987.2600 13006124.8900 12945143.4800 4346671.6010 18465031.1100 14986469.9600 28709778.9800 25578823.3400 11778212.7700 7952584.5530 15035467.8900 8970730.0050 20338130.7700 12509152.2200 18939445.1100 12064523.4000 17581175.3300 9795892.7080 12249762.6100 7752779.3230 15369816.1400 9141762.7040 18740480.0400 9444398.6740 16685745.3400 11129601.0800 15203157.6700 7579204.2670 135884.1074 11851886.8800 10784568.4400 11601615.6900 41529.9714 18533.9673 37389.7750 20737.2276
2-Arachidonoyl glycerol MG 20:4 13653904.1700 11767485.5700 19315939.7100 22192200.5400 24319314.9400 12241544.1500 26174192.6400 20339297.1000 17002462.4100 15916368.5500 13977730.9000 8262232.0690 16411218.2500 10982037.1900 17682060.2600 11024987.8600 21985345.2500 13246791.5400 13658044.5300 6780489.9680 10692460.3300 7836702.0410 20483445.2500 11950464.3700 24916215.4300 15268860.6000 24095259.0100 15122520.4600 21258025.3100 13151733.7100 46351.8601 15968486.5500 15492974.7400 15869387.7600 44801.8679 43977.4774 43821.4226 47043.4045
2-Butenedioic acid (2Z)-_ dioctyl ester 8515603.1740 5741800.0260 6325823.7670 5966756.5780 8412602.8800 5051324.3460 9459359.2290 7444685.7540 7309696.8680 5929857.3740 7829013.4470 5941471.9640 7685442.4330 5374963.4630 7482457.9000 5632917.6550 7235146.4850 5330617.4690 7898220.2750 4956151.5880 2075319.8880 1705890.6380 7045425.0970 4759172.5750 7887216.7670 4192062.2380 8317890.9800 6752441.9530 9091340.8800 6687048.8970 1586589.3340 1120872.7020 788252.7796 1513330.1920 256886.5773 48375.1760 47228.5251 53701.8948
2^-Deoxyadenosine Deoxyadenosine 9488905.9560 7692501.9450 8056209.3460 8940241.9140 13606746.5300 7382579.1160 13375590.6800 12736171.8400 5855034.2640 6123047.4560 12911386.2700 8652466.8110 17537815.4500 13221616.8000 23694673.0500 20444534.2100 14392778.4000 9374929.8060 22066804.6300 13880895.0400 10359847.3000 7609671.6760 15589139.5700 9220821.0070 9543463.3990 6053223.5770 13900014.8200 9537034.3960 10763640.5300 7042910.9470 914492.9716 9422003.5300 10114347.7300 9552486.6020 191217.5917 203751.2027 205279.5499 227589.5175
2^-Deoxycytidine Deoxycytidine 1265978329 909317265.9000 1708701379 1551978118 1590906547 718715241.2000 1895627624 1545142877 1309243022 1072852809 1636188947 1024693402 1420712195 1028019715 2049481048 1585477611 1613323627 1113245143 1519329642 1079873298 1383690781 888755460.3000 1355463234 845756956.7000 1314467742 778572513 1503981478 1186259827 1168178342 788268311 1888773460 1557953575 1496762599 1798846455 284786.1765 267391.0002 273766.8851 385499.5228
2^-Deoxyinosine Deoxyinosine 2047554.9020 1321774.6950 2196071.2210 2297061.4290 2583138.1790 976798.2862 2440624.6610 2064553.0040 2295289.6770 2041064.2580 2016047.0100 1456632.9820 2336577.0590 1615305.0430 2037784.6560 1203893.2730 2162712.7410 1423752.6170 2844727.8930 1645202.2760 2501042.0740 1808958.6030 3011959.0350 1683319.6430 1809902.2490 1101420.4100 3652151.3590 2277263.8650 1910468.3180 993184.6937 334361.0572 2311485.0960 1953153.1590 2228283.8190 28614.9429 26664.9760 26147.2523 26257.3297
2-(Diethylamino)ethanol 8884091.4280 4941479.2330 8352471.9190 8297748.1920 9930802.0270 3204822.7370 6557209.8610 7345317.2390 15902937.4000 10559501.7700 28767954.2500 15853934.2500 8193216.4970 5193974.7240 9127163.1270 5059666.5780 9530306.7400 6051452.0190 19142299.0900 6651673.3670 9138642.0570 4898316.4580 7612567.6200 4607297.7060 10579792.0700 5181782.6840 8072267.7900 4410242.7870 10443456.5500 4766867.9590 492809.0044 7379610.5870 7380396.7280 7379813.6360 695731.2671 914525.1248 1005451.7050 37855.1670
2-Dimethylamino-5_6-dimethyl-4-hydroxypyrimidine 20463641.5600 12777083.0600 632244.9413 5041718.2310 6524817.8000 2354360.3020 7115092.6020 5048475.5670 8965967.2620 8450436.4430 5186191.0800 3210206.1780 3571881.8230 2226469.7240 2677828.5770 1848704.9670 3004492.1080 1676318.7710 3079409.5310 1714359.8400 23084527.8700 12772688.2500 21205428.9400 10393130.7800 38960536.8300 18069707.3400 14335222.8200 9289949.3600 20803552.1600 9898746.2420 11374403.5700 12794742.2600 11330153.3200 11891853.3000 46488.0861 38545.7804 33601.0811 29831.6639
(2E)-3-(3-Hydroxyphenyl)acrylaldehyde 1578284147 917620469 2077721021 1757080986 2439050062 687674720.8000 1997709434 1408372112 1617929202 1341794553 1797839868 1029647045 1644306687 1003825475 1644434991 928321229.2000 1807736701 972614010.2000 1794257998 914481378.2000 1951797776 1042974869 2039952938 1067073134 1774083716 821722918.5000 1797969660 1039507977 1576753139 822459734.2000 1932077474 1663642383 1620093210 1870773298 1738082.6610 112456.3657 780857.7521 301505.7042
(2E)-3-(Carbamimidoylsulfanyl)acrylic acid 2329777.9200 1145139.9780 3856649.1460 3043502.0510 4621980.2500 2019188.7130 3479809.6360 2911672.8480 5533736.2870 5145078.8680 4475819.8110 3202965.3910 4332083.0160 2617511.2430 3304842.6520 1947956.1720 5774482.9810 2833619.5620 4806368.9000 2286942.1710 7567091.8290 4528117.6060 7569080.4870 3606304.6380 6587734.2280 3527892.5390 4996874.5010 3184602.7410 4321538.6790 2937171.3570 1378469.8180 3646518.7130 4049969.1790 3762330.2000 48233.0007 34725.2681 28993.7863 24889.0036
(2E_4E_16Z)-1-(1-Piperidinyl)-2_4_16-icosatrien-1-one 194915.6855 151268.3571 229153.2797 169738.8964 1787110.4450 651094.0662 285549.2692 349733.3328 1329752.8100 2762976.0620 283505.3467 170353.6547 119565.9777 95798.3681 3344916.7100 3492214.7770 525656.0479 231442.0295 191524.7342 147929.7225 2183030.7060 135322.8132 1480758.8780 704052.1323 1061495.5000 107604.2475 776125.9043 681627.9488 686037.3537 411077.3498 105622.0191 869807.4693 1014517.5470 903231.0397 33185.8839 35049.9561 31869.0851 34765.3309
(2E_4Z_12E)-1-(1-Piperidinyl)-2_4_12-octadecatrien-1-one 321312.1190 743758.5537 688112.7964 439714.2376 7317369.7930 152781.9099 1524025.0370 1631627.1150 2414568.1200 2525443.6060 1147305.2060 1668390.9780 310813.0237 176123.3031 11213189.5800 1310099.5230 1175591.7140 240771.5325 505483.3360 553211.1332 4539159.9270 5528106.6270 2499687.7980 126053.0780 3893073.8730 233009.1836 2784499.4760 2383905.8780 2147105.4600 145553.2201 398921.4177 2926040.1260 2644777.2290 2839342.6070 53510.1115 36327.3112 34778.6816 30776.4349
2-Hydroxy-N-(2-hydroxyethyl)propionamide 36681444.2000 23439764.5700 14387559.5900 81428086.4300 70539646.3400 25449984.8800 61207572.9700 51141905.2700 50814902.5800 55774583.5800 159642386.7000 86416988.8600 114968349.8000 72543592.1500 154677518.9000 90679996.7600 141087022.6000 81045900.3800 156276578.4000 101689032.3000 48468865.3300 27850404.2300 52248918.0300 29501360.8700 66993028.0700 36143511.5400 62314424.2100 40956710.0200 46244228.7900 21208359.3000 3027072.3230 116295420.5000 92254301.6300 109015390.1000 389800.9431 117504.3928 328739.6408 181259.1699
2-Isobutyl-3-methylpyrazine 25217974.8200 15831218.4300 17318355.0100 16153124.2000 19799730.7400 5907997.7110 25123915.2000 19679139.4800 19301877.9000 16444519.4100 23416010.6400 14460302.0500 17113377.1300 12021707.3300 18058861.1700 10595193.6900 30919373.6500 18320897.5300 28974010.7500 15562511.8400 20642599.9800 13752405.4800 44795973.4700 26592704.2100 70288998.3500 36982994.3100 49605909.6700 33409263.5200 48579058.5600 27995787.8800 32999884.9300 33562152.0800 30256521.4300 33355494.3600 40131.4085 34299.2543 40473.1337 219413.3711
2-Pyrrolidone 2-Pyrrolidinone 11363065.5800 8734489.6460 12438653.9900 11666942.9800 14158474.7600 10155248.4700 14932881.8700 14552092.3400 9405695.5290 8321868.5790 20223672.1600 30623858.3000 24876969.7800 20525479.9600 23670022.9900 16655196.6200 14044789.8800 19853824.2500 26168319.6300 19635774.8500 16331436.8500 8815918.3980 21268203.3000 8796143.3740 11342006.3100 5405362.8690 19996260.6300 15000315.3400 9741019.5300 4374604.1030 56872450.5400 25286138.1700 55942873.9900 47124514.5500 248978.2719 276503.1082 289003.0648 346690.4969
2-Quinolinecarboxylic acid Quinaldic acid 14512249.2000 27994268.8900 17487430.0200 18158451.7900 31525395.5900 101276542 25878767.2900 23658327.1900 17219163.6600 15869839.3700 31063104.7400 44082489.7500 27825962.6200 37516081.8500 27001451.4200 49736827.0200 21651731.5500 46818758.0800 22861239.4900 52138537.0200 13383254.6200 35563646.9500 28009535.2900 36499709.3900 14444859.1200 28740195.3900 22460679.9200 30431158.7400 19773593.4200 36443772.8300 275589.2315 34812406.8400 34828508.4400 34816557.7200 33623.5749 47456.1094 31890.2161 27719.5972
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(1Z)-1-octadecen-1-yloxy]propyl (6Z_9Z_12Z_15Z)-6_9_12_15-octadecatetraenoate 76895986.5100 68485449.2100 87676030.9400 75315069.1700 66581835.3900 38133429.4100 86972914.0900 74037597.7000 93870721.2200 67694781 52825867.4700 47699539.9500 77232375.3000 62468116.8700 84939214.1900 57988581.9800 74544540.0600 60439678.8300 81596620.5400 59676064.2600 101492842.7000 79304492.3600 124451294.6000 88057975.9900 112546095.6000 78429924.9300 124272318.2000 100622573.9000 130229396.7000 87808842.6700 76828839.7200 94092100.0900 82443533.9600 82586648.9400 55697.9284 58378.6358 55161.2018 135843.8542
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9Z_12Z)-9_12-octadecadienoyloxy]propyl tetracosanoate 16489743.2800 10368851.4900 11561925.7200 11105027.3900 10566338.8500 6943104.2630 8585797.4370 8182089.7460 11456551.1700 13278304.8200 27594571.4500 18915922.6300 21865714.5400 18022881.1100 24157984.7000 18889396 19396892.9400 16951827.3900 26945788.9500 16143325.0100 14624663.8100 10067686.9700 12954550.9400 9896582.4940 10774950.3200 6608034.5640 14285548.8400 10948600.1900 11201514.0200 7707081.2460 13541111.6900 14092676.5100 11652306.8700 13806679.4900 46294.5865 41816.2412 38105.0612 38495.7427
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl (7Z_10Z_13Z_16Z_19Z)-7_10_13_16_19-docosapentaenoate 21927311.3400 20368671.3200 16369421.1000 12502972.5900 23009611.6600 12541522.9300 19519779.2900 18045071.8200 22689780.1600 21312120.3300 16276610.8000 15476381.8300 28826909.8500 20913783.0400 15619501.1900 12225859.0200 21777935.4200 15464291.3200 24986116.7000 18580769.3400 26989312.1400 19572584.1400 33114136.8900 18564868.5700 20388722.6700 15559320.4100 16809873.4400 13289705 18827731.2400 18510592.3500 193436.3081 24694477.2900 24723178.8800 24696499.5200 40261.1639 51011.8068 62574.3258 98949.2214
(2R_3S_4S_5R_6R)-2-(hydroxymethyl)-6-(2-phenylethoxy)oxane-3_4_5-triol 14265919.8900 5491458.2500 10329453.3500 9583901.4880 16063033.6400 4574974.8490 15048515.6500 16501347.1300 14173410.0600 13112233.2000 13042408.3900 7768943.8460 10238161.5600 5912176.6920 12963799.5900 7683002.5240 23044060.7400 12769333.5800 7130402.8100 4673123.3260 14265251.2000 8213222.6450 8716439.2670 5584121.3990 10306698.6600 5105606.0030 10859090.9300 5946860.2760 11332471.5700 5068292.5320 14031183.6600 14418186.1300 13070051.0400 14214669.2000 42181.2035 39754.2649 37300.9104 37233.7490
(2S)-2-Amino-8-hydroxyoctanoic acid 1612662.5240 1093795.7370 1608341.7630 1195195.1530 719974.5627 268872.0012 3824239.9910 3163309.5780 2753414.0650 2353114.0670 359260.9229 229836.3583 1125463.1250 648725.7180 6362812.9440 395208.9128 8708050.6100 4166630.3770 4117895.5630 2394104.2690 27544014.0700 14418735.7700 35286609.6900 17724168.0700 72680973.4700 34648029.1300 54681723.8700 32694346.6400 42859093.8800 19790499.1300 20025985.2100 16725719.3000 16508732.9600 19034976.7700 64766.3311 46959.3733 35857.9307 29381.9308
(2S)-2-Piperazinecarboxamide 8209926.1200 5191515.5460 9015241.7480 9296902.3570 12380988.1900 4070481.9690 10842160.4100 8287739.3410 10353479.7000 7903788.2860 13973135.0200 8162036.4360 11194206.7400 7450910.6130 18209217.1400 9809452.5110 14986351.8500 8019025.3000 12182191.4900 6811751.1570 12296133.8300 6895799.9070 17303719.9900 8281525.2030 16788761.0600 7940118.0490 13509052.3200 8296977.8930 14181140.2400 6971512.6030 20244922.8800 16702987.8600 15053167.3500 19094887.8700 39078.1845 33845.8362 30334.6510 52155.0609
2S-Amino-tridecanoic acid 2S-Aminotridecanoic acid 3440707.1340 2218159.5800 2737209.1630 2435896.0520 3082559.0120 1739022.3540 2879413.2310 2395703.2420 5627791.2380 5680915.7100 1211306.3940 917620.2455 1898188.6010 1273673.9290 1543258.7570 1000889.4250 1220606.8990 892572.5258 1247764.0060 815280.2378 2186513.1710 1598881.4830 2515442.1340 1450679.4370 8475994.4970 5050358.3730 4057041.0570 2620733.8000 3333758.0030 2487782.1920 2089617.0300 2088097.1190 1733013.2710 2113172.6130 71692.6931 86567.5396 65881.6689 66507.1738
2-(tert-butyl)-1_3-thiazolane-4-carboxylic acid 16279042.9300 10212160.5700 25132915.4400 24248126.8000 19456079.4200 5297615.6500 20629076.9100 14671155.4200 18394956.8900 15109118.9400 59728860.1700 34372739.4200 51539134.7600 29232376.2300 87880784.8300 47735133.7700 67913498.2100 23957914.6200 76903681.8200 36703873.4100 21550208.8100 12044279.1100 16679156.4800 7449953.5570 15584316.0100 7073975.5530 16876071.0600 10209968.3500 12532832.3900 5840181.8950 30320288.1600 24757108.2500 23009927.5500 29130333.8300 167247.5444 171048.6653 166613.0353 173087.8810
3-[(1S)-2-Cyclohexen-1-yl]-L-alanine 9152311.8090 7619455.7850 19307931.3100 17260525.4500 15955087.9600 5862310.2200 15428018.0900 12476382.4900 29058250.3400 28264792.6900 15283487.5300 11184308.5600 3078604.8600 2090242.3430 5295056.2600 5473482.6240 4926358.5040 4382780.1410 3268177.2540 4393785.0590 18932303.8000 13988535.2300 12820593.9300 9030960.1900 35026155.5300 19317112.9600 25829036.7100 23578778.1200 23984674.6600 15308012.5300 23994058.7700 15991697.6000 15101201.4200 22182642.8700 750178.2115 634302.4304 58289.0183 724690.9831
3-(3_4-dihydroxyphenyl)propanoic acid 3,4-Dihydroxyhydrocinnamic acid 313842881.5000 169803489.9000 268970017.2000 275001973.9000 506354545.2000 136336546.9000 338036051.2000 247303037.3000 320738851.7000 276638979.6000 260351162 141926526.5000 250100403.7000 140621095.1000 224886900.4000 108791712.5000 221343719.4000 108374202.8000 255635869.9000 107940903.2000 329515033.7000 176277417.1000 364370961.2000 158318844.6000 428107782 181436785.7000 330341702.1000 179406720.6000 352862682.6000 138064289.3000 326920845.5000 308402215 300562959.6000 322008420 111615.1525 84476.0736 75847.1813 78939.1360
3-(4-hydroxy-3-methoxyphenyl)propanoic acid Dihydroferulic acid 33293409.4400 18424043.0300 34198042.0600 37843414.5100 50603188.6400 20021632.6000 37963551.8000 30533889.6800 36589435.8200 32519814.1000 75095625.8400 51171884.2600 93150838.3400 57541406.7300 108602348.9000 57420609.1500 121507130 62613235.5100 123866754.5000 69685359.4600 41172716.3100 22282866.5100 48057805.7500 24336646.7900 34990550.5000 21531884.3700 47194773.7200 29885756.5700 38222404.0100 19805895.5200 71550857.2000 58852994.7400 55423715.7600 68306336.1500 81838.4692 76946.6101 70479.1615 72165.3842
3-Aminosalicylic acid 3-Aminosalicylic acid 401322.6748 353677.5806 412268.4054 394945.9871 8192397.9680 6737699.7630 503013.5027 348073.9319 413351.6222 383480.6057 12788824.1700 12314546.1100 9952594.4160 10034539.5900 459968.6652 326220.7937 8407188.3000 8696875.1260 15243771.3800 16911231.0600 459718.0723 355625.9755 875939.3237 1061779.3650 473408.4999 317026.4664 15989181.0500 17280173.5600 476203.1258 346758.9250 97156.4017 5797413.6210 4724558.6290 5564534.9020 17452.6316 19690.0811 28299.9238 17470.7365
3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylic acid 8441783.0730 6282623.4730 7444956.3740 8120937.6810 8633093.8210 6043221.3280 10117185.4300 8477289.5470 7021734.7630 6549867.7030 9612774.0090 7101576.8900 10848355.7400 9394000.9210 11417051.2600 8442911.5870 11078028.5100 8488950.8700 12395343.8600 8025837.3870 3870319.7670 1915627.4140 8706449.4850 7194298.6080 5724937.0580 4014968.7900 8080235.6220 6840616.8280 7438286.5140 5222673.0400 8992892.4040 8036112.8690 8108010.9880 8754051.6070 55831.1739 54713.3966 53987.8176 59249.6553
3-Buten-1-amine 3-Buten-1-amine 7997680.1860 5635780.4250 9514299.3760 9052987.5310 6530270.7370 1464653.5400 11864983.2500 7641748.2160 10915351.9800 10115894.3400 25667451.2900 15231848.6100 15594918.7100 10638349.0300 16004238 9812547.2880 13605433.5400 8277346.5010 33774667.1200 16195610.6200 7847419.9170 2776045.9480 5276342.2430 3000173.5910 14576683.0100 6308448.4610 9498781.7270 5614654.9970 10199404.2800 3193993.2330 473503.9119 6728790.2760 9042603.4340 7350812.8750 207043.0334 1503650.6990 1031101.2380 518859.4047
3-Carbamoyl-2-phenylpropionic acid 475373.3843 353359.2054 4018205.3960 382266.0310 490991.6315 216572.1415 445782.8630 399987.7748 11339893.9400 9721271.0050 474939.7208 350740.8933 376117.3791 286025.2865 479470.5904 298565.9477 389081.3599 255503.7832 447487.2395 330683.6210 717669.9969 509448.4950 4947624.7900 783227.0621 2607826.8950 334815.7159 523943.0967 367405.4160 455795.4679 269278.2160 7623022.7370 6572811.8670 5953735.1980 7364021.4570 38485.5854 25383.9064 24523.4242 26777.2805
3-Hydroxy-2_4_5-pyridinetrimethanol 16613006.4500 9810592.2560 29314545.7400 19972369.1900 22533196.5600 9719598.9610 15629499.3500 11750902.9700 17791849.9200 15507579.8600 19158718.4800 11509956.4300 17131710.3400 12204505.6800 14305677.4000 8892858.0160 16374078.2200 10391153.9400 15391787.1000 10198659.4300 10939135.9800 7458024.2650 11911140.7400 7667341.9770 13069819.2100 6329962.1390 12580306.5400 9199167.5300 7942221.1410 4871488.0020 15598224.4900 12903260.8000 14066259.3100 15013428.2200 22187.9076 22722.8456 24176.6455 31738.5606
3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde oxime 539264.4183 147568.5122 3533493.5280 2019969.3510 767090.3495 109768.7693 1431348.8620 945420.0814 1137328.9060 1474565.8090 2310064.8770 168861.9353 1513418.1680 488913.9120 3348351.6470 667317.7465 3418787.2940 527660.2319 1925348.6490 177240.5341 796371.3322 179695.9764 429068.7942 118803.8540 1221076.8260 2077251.4770 470837.9617 167069.4157 733744.4852 139872.1434 186593.4939 1904991.7400 1735198.0790 1850883.6090 54933.0449 43373.3509 33224.0299 28615.0278
3-Methyl-1-phenyl-2-butene 6916466.1570 4628068.4510 8632882.1360 9338456.2030 6175302.0520 3349615.2300 7427769.6340 5847847.4590 14244860.4800 12998540.7200 3610864.9080 2244011.8670 3277593.4890 2717893.2430 3417581.7820 2385143.4490 3094597.1880 2398699.4640 3458994.9700 1961016.0060 6185702.6750 4594792.4990 5901393.5010 4722556.6180 14224451.6300 8083204.5720 7922190.4120 6627056.3020 10271072.8300 6396541.3120 74223.0166 6804155.0150 6869954.2220 6819230.5930 1212451.5170 852640.2420 691878.0888 1083415.1580
3-Methylcrotonylglycine 3-Methylcrotonylglycine 1454586.1640 937658.6388 1101579.7940 1377425.8990 1872451.8660 558456.2466 2800194.6490 2225505.5520 1054129.0190 750305.9146 2571038.6450 1631223.2070 1298262.0800 745201.0399 1766682.5600 579034.5649 790495.9670 1011705.4650 1921267.0690 980452.3029 1857272.7940 1409203.4380 1684657.5070 755172.8383 1970456.0120 1060636.9010 2967190.3050 1171660.2640 1360611.9900 638575.7259 526534.1831 2043134.2150 1714951.3680 1950082.1810 35674.8191 29412.4586 24998.3405 57080.5888
3-Methylcyclopentene 185350784.5000 132028343.1000 306198954.5000 209708440.9000 248660558.3000 95122564.9700 187392502 153757643.9000 252655042 209286460.1000 274103647 181403597.7000 201912599.8000 134842865 302445881.4000 188980182.9000 250418070.5000 166571306.2000 173126871.5000 122392132.1000 435366579.4000 309882650.9000 364056881.6000 220141567 577152356.4000 332857845.9000 503905903.9000 354629832.4000 416815928.9000 255196631.7000 459967094.3000 387400702.9000 376708019.7000 447371534.4000 57200.8838 402660.7746 450927.4633 67399.2729
3-Methylhistidine 3-Methylhistidine 20262454.6600 9793745.3380 24913849.0400 18266508.3900 24203588.8100 8134574.0850 25116666.5600 17028399.0700 11818738.3100 8923356.2710 11859771.6500 7105910.2200 13995448.4600 8054458.8100 27264652.2200 11082431.0300 11832472.1300 5037990.0910 19627559.3900 7242379.5580 16049350.3300 5614928.5880 18621271.0300 8069120.0280 22012452.8300 8046882.6380 12894917.7100 7660834.6460 17310631.8200 6555268.9660 18374914.1300 12947556.2500 11894877.2800 18220265.5600 24816.4708 28614.4947 29764.1073 38641.1664
3-Methylsulfolene 444726772.4000 253051391.7000 785529980.1000 547576052.5000 1029814989 298993722.9000 470244352.8000 406366752 544393303.7000 454592835.4000 372505624.2000 217287492.1000 463176878.2000 268543512.7000 386427679.2000 216343471.7000 453932489.4000 238070298.4000 479588770.7000 229793406.9000 525977061.1000 291780086 543433923.2000 286920576.7000 481554697 228013682.2000 471538765.8000 259090238.2000 407007285.2000 188483076.4000 497981797.5000 477454598.7000 454434073.2000 495354043.6000 67953.5419 66561.1120 70402.2519 71882.9595
(3S_6S)-3-(Hydroxymethyl)-6-{4-[(3-methyl-2-buten-1-yl)oxy]benzyl}-2_5-piperazinedione 8922241.3930 5971859.4630 3155975.9280 3846027.5500 6206211.0610 3446650.6660 4380866.2090 3994197.3960 5638208.9100 4697833.6540 2072731.3750 1084190.4190 4620681.7710 4253621.6530 16537895.6200 9957236.6950 30351916.4000 16017644.9000 6845485.4670 3854874.5320 3044854.5280 1751797.5580 2088966.3490 1116914.9280 1700418.5700 755208.5085 3493248.1220 2606994.7730 2401983.0880 1289300.1630 7419233.7980 5912609.1230 6376943.9200 6966903.5840 31442.1884 28965.9227 34126.7245 26909.7231
3-Thiomorpholinecarboxylic acid Thiomorpholine-3-carboxylic acid 901589.8930 585414.0150 2060079.2530 2250266.2870 2043751.2320 522858.7843 3172370.9160 3006301.2260 255823.9850 1213668.4560 1033322.9600 692847.6949 23130.4992 878544.1545 1165142.3360 791637.8522 1017641.5000 668272.6635 74472.0532 696305.5373 1102909.1760 901772.8796 1178149.6680 735031.7980 167512.5000 590958.4938 1048513.6900 873942.4004 56018.0187 542563.5759 7010614.2540 4932265.6510 3897770.0560 6153843.2740 52268.2960 25564.1477 21715.8241 17742.5980
4-[(3-Acetamidopropyl)amino]butanoic acid N-Acetylisoputreanine 10408599.3000 6768159.5820 22425673.7200 17953022.0500 9052305.9030 2770970.5350 21559149.7500 15754963.9100 29846678.2000 25192828.7200 7947605.2250 5247894.6330 3720538.2230 2397542.6920 24448517.3700 13550044.1500 8706165.1190 5097973.5720 6560945.5120 3137146.5570 23656851.7700 12619834.8300 16075006.0800 8665907.6580 27053515.7500 13984003.0900 11601788.7400 6623650.3010 17369274.9500 8368289.9700 415923.7481 16152638.7900 13626349.8100 15457792.5700 35598.9189 26993.5920 40820.4211 21437.0049
4_4^-Bipyridine 8821787.9410 5408963.1600 10822253.9600 13404928.2500 10455735.1800 4218335.9610 15580497.5100 11907411.0800 14206489.0600 12533108.3700 11499196.8300 6583977.9140 8071183.4650 5121567.8670 13960266.0100 7117170.1830 10969972.1600 6526079.8720 11664445.0300 5198775.2560 9662335.0880 5761009.8630 9182073.0770 4040425.6630 11659181.0600 5227754.1250 10104032.4100 6317397.9830 9880263.9210 4166629.0480 358140.0945 11407621.9300 8149928.5000 10490678.2100 148524.0752 39864.4636 33980.0080 30135.4790
4_4^-dimethoxy[1_1^-biphenyl]-2-carbonitrile 13113385.9200 8857144.4240 31529550.6900 29984667.8500 14121093.4800 4494087.8330 20480843.3200 15657508.7700 21853887.4500 16507408.9900 7391344.4950 4004363.8620 8047244.0090 4915348.6950 7524088.0020 4404155.0120 12673243.8100 7292748.9710 19493086.6200 10137948.6900 50701483.7900 30574849.4800 34285965.1300 18520013.5200 45150841.5500 24027914.5300 63318744.1700 38546586.4900 49217548.2800 24692310.4700 30413641.1100 25801494.7400 24523608.8500 29018647.8800 31311.4838 28106.2589 24736.6573 24473.6526
4-(5-Hydroxy-2-methyl-2-azabicyclo[2.2.2]oct-5-yl)-3-methylbutanoic acid 1428460.8570 709249.8041 2326825.8110 2235890.1940 1868411.3390 227588.1100 2655896.9620 1525538.7510 2547780.5800 2383764.3960 1449289.6790 809412.2723 1964026.1310 912182.4947 2855150.8420 1983575.1280 2896948.4560 1762326.7560 1580307.1490 1153604.3050 2280730.3960 106911.0551 3252463.2260 272458.2622 6714273.5400 237750.0012 3366569.1560 964659.9840 4283597.7140 359084.3689 348986.6944 2454898.9260 2023599.9650 2328692.8910 252963.9983 183097.5945 241712.9177 137557.1018
4-Acetamidobutanoic acid 4-Acetamidobutanoic acid 7920428.4190 6083407.0760 5512802.2750 5431267.7910 6989473.7710 3952868.5780 13214035.7000 11151884.7000 7084294.7020 6426025.2840 7162500.4820 5291616.5110 5467702.3800 4972932.9770 4567389.4230 2958879.7180 3216759.7240 2273341.1450 5427465.9410 3423124.0410 11001005.3800 9151723.4590 12840556.1300 9286076.7450 15900249.2200 9040675.0380 12776369.5200 10881254.5800 11228239.1500 7460454.0560 13710558.4900 12206933.7100 10395201.3000 13289454.4600 21695.7931 125159.0412 111985.6204 136114.5266
4alpha-hydroxymethyl-4beta-methylzymosterol 58132016.7200 38722720.1600 70998313.3500 57966847.1700 59686068.3400 32244255.2000 97857865.0400 78800792.7400 54725552.4100 34535276.6300 53394702.6300 23205945.4000 48508916.7500 41021669.9300 68475391.3900 41231353.6700 73193498.3200 43305778.7600 77127548.0600 44873998.4900 34972390.0700 31835731.1700 40368629.4800 33103927.2700 24458037.6700 25533152.4000 62079336.0400 50255322.3500 52151626.4000 37553442.0500 88234.1102 76350514.4400 64714957.0100 72740547.0900 92540.9259 67835.4134 55779.9191 46862.1235
4-Aminobenzoic acid p-Aminobenzoic acid 12604156.1800 9093548.4350 13957454.8400 14674487.9200 29370795 11365079.0700 15002612.3500 11912221.0200 11970674.4900 10767235.2400 17838444.1800 11240089.7300 11671691.2800 8263858.8170 14226537.7100 9741506.9190 11735069.3500 7599364.4140 13118496.8000 7999794.4540 11230913.6900 7531768.0090 14508242.0700 8933312.1440 7181299.8130 4544894.6210 14344507.9300 9397463.6760 8815339.3460 6043429.6530 7268238.1220 7973987.9220 8103086.5220 7328804.1320 106080.7641 119237.9165 126041.0716 155199.4726
4-Hydroxybenzaldehyde 4-Hydroxybenzaldehyde 7375475.8580 3105453.5100 6240377.7310 6590450.6600 12443917.0900 3073613.6320 8078948.1900 5995852.4790 7833677.8950 6202043.1560 6235850.4420 3332990.1550 5717032.9010 3128689.2630 5251781.3650 2690944.9910 5313302.8970 2506585.8360 6158057.1800 2576598.2540 7989263.6490 3994347.3170 8843908.3830 3618042.8730 10975499.5300 4333502.4150 8302600.5230 4712462.9780 8698423.6280 3312288.6510 8030416.0810 7541046.7110 6775437.9880 7921652.3720 30652.6002 25942.1022 23938.3714 23688.5835
4-Hydroxyprolylleucine 1343193.6130 848308.9590 2099389.5580 2937338.0330 3720931.7530 1278328.7610 2783727.2860 1696699.8330 2396724.5860 1964757.2780 3155100.3090 1696792.7410 2672791.9780 1763945.1450 4319194.7880 2264428.2790 2224456.0200 1280076.8250 2475661.9770 1943106.8460 1539495.5020 773463.7242 2769353.8420 1340373.0530 4551246.5540 1868112.4970 2292508.3900 1316809.1810 2009362.9230 838907.0939 615079.4000 2504904.2280 2474047.6420 2496296.9210 135804.0613 117368.1367 101819.0054 88095.2085
4-Hydroxyprolyllysine 3153731.3780 1986776.2770 8523219.1030 5101419.5620 7049287.9470 1440914.4800 3785902.3000 2478503.9630 3697727.7580 3182369.3550 14726583.7100 7509406.7450 12986490.2900 7508519.8210 12460579.5600 5787501.8240 17090851.0500 6517005.1890 22206901.0400 9387624.5130 3969590.8200 1737904.7790 4186324.8530 1799353.9480 7102105.5670 2980350.6410 5580335.0830 2797798.3310 2628243.1300 1282096.1970 6754614.0980 5840145.3560 5719070.3420 6519432.5460 26485.3373 82292.4423 23832.0612 72552.6056
4-Indolecarbaldehyde Indole-4-carboxaldehyde 10311457.4200 6073153.0080 8921680.3860 11190743.1900 13237665.1900 3734452.3320 12114228.8100 9218419.9260 11031353.3900 9497928.4600 11191140.7600 6276565.0750 9056092.2360 6218713.4680 11189373.2000 4909530.0810 11317279.5200 5717896.2980 10452724.4200 4712114.6440 47657454.9100 30022201.5000 66122901.2200 33984265.0400 56428115.1300 26506408.4900 64521745.4600 39863598.4200 54190845.0700 24337403.6200 30838455.0500 26525866.5400 25312088.8600 29746786.3800 81385.2993 76902.0492 61473.9347 73652.6726
4-Methylcarbostyril 13643766.4900 8320206.1150 8779720.3150 7521193.0030 15377454.3700 6895263.9540 13836441.1700 9186284.2180 8917072.3480 6935649.2700 8820158.4170 5679467.6860 12772289.8100 8893066.7090 14504344.1300 9067288.7370 10913992.3200 6244746.2500 13186135.8200 7228121.4950 7608214.8300 4628132.6910 16785482.8500 9439235.5380 6458535.8480 3126232.1360 11160557.2600 6793643.1900 9146675.4510 5234568.8600 7748883.0560 6457185.6660 6797827.7840 8149098.9570 36699.5492 46786.1277 60261.2846 142336.0937
4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanol 17454668.4100 11596554.9500 5204753.9800 3840169.7640 4447110.7530 1671148.8900 5133015.9870 4049562.3390 6522940.4320 4216379.1060 7268224.3050 4783486.1910 5588686.6200 3756134.1930 4962270.4910 3120413.0630 4531996.2840 2884158.9080 5418135.8660 2822333.1890 9065444.5560 5821155.1700 14337896.2500 8335557.0610 6971439.2470 3854851.2140 8224417.4080 5161371.9960 7105052.2530 3333550.5250 8679980.9660 9245819.7200 8507001.3110 8886153.0660 56590.4883 107870.2689 44839.7496 43307.2598
4-Pyridineacetic acid 15974735.7400 9366298.2380 11543248.4700 9752029.4020 21561694.0400 7542156.8170 3304488.2550 2814797.5820 12817117.4000 12564276.1200 21765919.6700 13699025.2000 17163592.7200 11986808.1600 87154251.7700 50334409.1700 82392686.7400 50474742.2300 20136207.4900 11251944.9700 12945708.0200 7023869.5390 8335813.7040 5315200.7160 8411925.8260 4913065.8460 8285464.0970 5735138.9970 11531122.6900 5670841.4070 37402387.2800 23037301.2900 23783885.9400 35149998.3400 596369.1135 170327.0995 125445.9729 491314.5197
4-Pyridoxic acid 4-Pyridoxic acid 75592261.5600 50107005.0700 41296435.0200 62793406.9200 72829843.7900 25174494.2800 75243793.2800 68098340.7600 52923235.5800 52929688.2700 49638394.4300 37287213.4800 76096015.8400 39827339.6000 86628993.8500 62458674.4400 62297809.3200 39002526.8300 73428136.6900 40333456.3200 24822144.6200 29746869.1300 61260158.7900 35902649.4500 75455204.1100 35551355.4600 64021281.9000 38308947.4200 55078571.6300 14745653.8200 69311241.9100 59256074.3200 65061639.9900 65869605.2300 32966.2000 27111.2575 24329.4220 24125.9809
(4S)-4-(2-Sulfanylpropyl)-4H-imidazole-2_5-diol 653911.3858 476726.5970 948420.8214 1394485.1540 721486.6853 292638.4368 1856808.2410 876940.5313 1422071.8120 800092.1379 13447454.9500 9727066.3580 578933.6254 409505.0290 633699.2759 377781.6893 5980426.6540 3497044.1850 749928.0779 463940.7105 782367.7375 529116.8944 754600.2321 500658.1381 857184.0823 492503.0594 1331782.3700 512323.4429 772108.5276 443571.1676 2839724.7570 957593.9515 704387.5248 957593.9515 55681.7046 41075.5918 33330.8198 27540.1910
5-[2-(3-Furyl)ethyl]-8-hydroxy-5_6_8a-trimethyl-3_4_4a_5_6_7_8_8a-octahydro-1-naphthalenecarboxylic acid 11077248.7300 6356113.7800 6908454.0550 6200384.3350 5924983.1320 3137715.7580 7381480.7800 6416234.2860 6325299.4450 5895065.6970 5458136.9830 3683355.7690 5516208.5540 4747019.0030 7990702.6550 5382220.4950 6333270.9090 4039842.8690 8985431.5110 5280971.3620 7583601.3830 5810828.8130 9521494.3660 5955422.1670 9103583.0750 5603518.0580 9473600.9420 8371642 5824113.9610 4194281.1720 88450.0067 7540123.0760 6646321.6720 7308248.1550 87000.4250 76204.9130 69753.0840 64988.1031
5_6-Dihydrothymidine 5,6-Dihydrothymidine 49018294.9000 33464051.2600 27580495.9200 19565967.3200 26435835.8700 10114135.7900 22247044.9400 18377705.9200 9621038.3370 5381035.7290 10913636.0300 6368849.2670 19813126.2500 12992987.2600 13509165.1900 5067809.1670 18711772.2900 12365811.0400 11416664.3200 8788289.3450 51531635.2500 32888621.3700 52377572.7400 31742203.9600 6831268.8460 3187807.9000 32251237.9700 23141180.1100 41789603.4100 21526919 19140228.1100 10285604.8500 12366142.1700 16428592 36402.9589 34525.1285 31644.5950 31663.7169
5-(6-hydroxy-6-methyloctyl)-2_5-dihydrofuran-2-one 518239794.3000 343547212.6000 705833655.1000 633050219.5000 431912596.5000 216846732.4000 485568595.2000 392158680.3000 1066128753 1023137664 87698778.9600 77834804.4500 168397450.7000 130036176.5000 140007250.7000 102870925.9000 75806987.0200 65134980.9000 124195426.3000 82471340.2600 444422571.1000 313150569.2000 431273168.7000 264659958 1027290506 740842379.3000 605686192.4000 445139843.3000 719925115.5000 535802516.9000 509339711.1000 501178626.8000 471341009.2000 510021890.2000 24968838.5600 19797239.3800 17684884.8200 23752963.7700
(5-Benzyl-3_6-dioxo-2-piperazinyl)acetic acid 3330959.9690 2072068.7540 2008360.4250 2425945.6230 6358607.9390 1824855.8950 2398724.8260 1844515.0370 3515114.2590 2813289.4190 2472098.0070 1583633.4470 2299342.4870 1335558.8820 1781792.5200 991459.0399 2022327.3370 1111306.8320 2469744.9280 1280351.9380 2845663.9440 1835984.8720 1638866.8590 861154.7867 1895791.5150 1004757.1720 2798048.5080 1803243.6050 1562739.5170 668766.7468 607716.9252 2799908.3340 2848901.7830 2809287.1740 34361.3255 34010.3402 34227.3948 38239.1555
5-Butyloxazole 503570.7298 281123.4923 141821.7939 397039.6916 98546068.3800 27205032.4100 801126.1188 652013.0991 608046.1565 544561.9087 70064039.0400 36872552.6900 12335914.3900 6910359.4130 652571.9486 338620.8144 44007823.6000 21056447.5400 18938826.6900 9065623.3690 3580284.1180 1803271.8400 2740386.3110 1121955.3360 1247761.3710 445240.2605 116936098.2000 75526912.0100 882663.6996 201305.9321 29049885.4900 26156564.0400 24538330.2100 28447689.8100 82501.8241 49319.4382 57546.8671 52364.5337
5-Heptyl-2-oxotetrahydro-3-furancarboxylic acid 10601577.7500 8018645.0950 12461418.4300 13176633.9300 13574470.2300 7911820.8910 14352195.6600 12509841.6000 12560808.0900 12257993.3200 12435436.4400 9923242.1870 10277153.8500 8846451.5390 13556408.7600 10705804.1600 13341717.5400 9266552.6580 12706418.3400 10607470.6900 18321938.3200 16005130.8300 12181337.6400 8814192.2080 13819474.4400 9738396.5780 12594726.8500 10535045.5000 14005731.0300 8772860.8100 336346.8100 15002794.4300 13780355.8200 14715974.6700 8293467.3760 157989.6430 132595.7998 7342188.6650
5-Hydroxyindole-3-acetic acid 5-Hydroxyindoleacetic acid 27353013.9900 7370391.2280 7468525.6350 9019973.0200 7684842.6450 2550464.1470 21509954.7500 12388352.6600 4652842.3860 4374085.0790 29392240.6300 13808205.7400 12048403.2200 5349138.3370 50640649.7600 27161593.0400 22427578.2100 8603504.1100 5315135.0600 2726421.1690 28240199.6600 19314129.9400 43893559.5200 21170662.2600 177289139.2000 67083297.5500 31348728.8200 15925783.0800 91578001.6100 42396758.6000 30105638.1600 27766446.3900 28740753.7600 29604460.3400 59754.6050 61205.0928 65130.6029 85530.5666
5-Methyl-1-(1_3_5-trimethyl-1H-pyrazol-4-yl)-1H-1_2_3-triazole 961134.4656 397060.3023 8887840.0510 6844627.9780 5600308.6140 1482538.2190 4072459.3950 3090047.0210 8890585.2460 7572796.6330 224128.3214 119936.3709 479396.5059 297488.7131 2332290.5320 1157306.2820 2833025.6840 1364044.3400 1912847.3950 896841.0925 158543.8260 81208.9336 132661.5431 64668.2967 271133.5730 101047.2627 723433.3669 416805.9978 200160.2796 122581.9307 1190079.7660 2305940.3860 1988164.3440 2217998.0570 39414.9062 33407.4810 26636.6932 18668.7862
5-Methylbenzotriazole 255736.0195 168162.7169 667849.8649 392351.1886 413098.4161 148374.9167 285424.5036 236668.6411 505898.3832 499322.0575 546680.4223 174705.1142 244315.8635 316004.9564 506894.9386 358145.8050 294847.6810 237800.1925 619464.7999 191500.1076 3514086.3440 2489489.2560 4564237.1830 2415394.7740 7753407.5600 3984418.3780 2300110.6320 1739794.8540 4343713.7000 2442414.6180 2308535.5580 1702424.6720 1622607.1350 2162279.7270 32524.4024 30957.9693 29524.8293 30585.2448
5-Methylcytidine 5-Methylcytidine 213274302.5000 129414813 110325049.1000 166231404.3000 229375771.4000 85597770.1000 291591300.3000 224208596.8000 161404544.9000 130964470.6000 185040148.1000 126429297.5000 264874699.1000 171124253 302098667.5000 182926754.7000 229254538.3000 134034850.6000 244705422.8000 151531901.9000 262715674.5000 157856649.8000 268176678.8000 152772633.9000 302577516.9000 154169728.4000 305761950.4000 198639962.3000 237562660.7000 118210291.6000 320690396.8000 242774819.1000 248368490.4000 301594848.6000 101271.3840 94815.1606 92155.1493 99997.0393
5-Methylcytosine 5-Methylcytosine 98644824.7800 65561433.5300 102933474.8000 96863710.6300 107886585 38867231.8400 143082222.2000 112400308.6000 99425673.8200 79375172.1700 76763277.1500 49697302.0100 95689721.4100 58168037.7100 147178006.5000 90979582.6800 84008147.0300 51047816.5400 128480641.7000 68534630.5700 76231888.9300 47887149.5500 105387185 64165382.9000 80871481.1900 44118495.1400 113475859.8000 73704407.1400 99380591.1400 53531934.2000 429785.5308 112765491.6000 95875518.1300 107964094.2000 45007.0770 36229.6862 33609.8463 36141.3364
5-methyldeoxycytidine 5-Methyldeoxycytidine 101865673.2000 67700676.2700 86425619.8400 79189475.5900 112836252.6000 43685971.1400 120895903.9000 89557576.2700 79989897.5200 64329631.7000 75401074.3300 50078236.8000 113236956 61781329.4100 133298250.7000 79329468.7000 78011706.7800 46611506.1200 129049226.2000 69605338.2300 65687228.7700 39268202.8400 115198416.1000 65194066.9400 64019127.4300 34858860.9900 105184015 65942535.6200 96034329.0600 51735130.6700 144300772.7000 93349876.2100 92724404.0500 131802234.7000 80908.3919 79110.2742 73570.5682 79567.0010
5-methylthioribose 5-Methylthioribose 12870000.2800 9115539.4200 8158062.5300 8150298.3440 11041952.2100 3208448.7470 14190989.9200 8710585.6100 8090101.1780 5270860.7550 9639502.8700 4579104.4570 6989149.0450 3956081.4810 14187229.5100 5973806.4920 7815035.9920 4020297.0990 8474169.2490 4292382.6790 22631746.2800 13607616.7200 12135192.5100 7923770.4510 15384924.5200 6473550.0490 16527795.6200 9828326.2160 8376260.5780 4592668.3520 526172.0574 14281137.3500 12772939.2600 13898377.4000 42823.9975 37834.8553 32939.6682 31704.7774
5(S)-HpEPE 5S-HpEPE 15346809.7900 10293547.1300 14507595.6000 15009899.4700 7570834.4560 4138627.8000 16714757.6700 13011904.3900 18103852.5100 15998498.3600 12051296.7400 7594547.3480 9902998.9510 7345552.2960 17924060.2800 12170513.2700 13431221.0400 8221814.4550 15749199.8500 8263057.9070 9405601.2850 7762414.1700 12870147.7500 8545447.7470 16806804.7600 10553450.6700 16767474.6200 12040105.7900 8257745.2630 4883666.0410 16323539.5200 14270242.7400 15030336.2300 15386832.6500 92658.6107 60133.8306 47106.0978 56441.9350
6-[(1E_3Z_5E_7E_9E_11Z)-13-Hydroxy-3_7_12-trimethyl-1_3_5_7_9_11-tridecahexaen-1-yl]-1_5_5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol 1205221.4420 1005908.5880 673909.7523 540165.5074 836225.8663 181094.4632 1115543.2680 741970.3141 692093.2240 417770.3946 674546.1550 901639.8643 987651.8643 391850.3832 782455.6538 764214.6225 626187.6604 727919.3212 1665731.3980 324602.7158 3276275.3550 2105853.2140 1546890.3440 185709.0936 2939188.1750 127546.0467 2563465.1030 1671897.0460 2921646.6640 170183.8335 101223.7049 1132820.0930 1301554.2990 1164206.9430 18758.6877 18434.0439 19578.4730 24212.6434
6-[2-Formyl-5-(hydroxymethyl)-1H-pyrrol-1-yl]norleucine 67397750.4300 44616910.9200 35812404.3200 25637885.3000 33611063.4200 12389543.2300 62898154.8500 53003386.8800 56810333.7400 48750906.8200 29282835.9200 18614733.2500 43263116.2800 27201801.3300 33142002.6900 18434825.3600 17111058.9800 10250983.9600 52912095.4200 29208872.1100 53427420.8200 35821066.9100 46248534.2300 29351707.4200 40713344.4800 22971498.4100 52420732.5800 36001466.8400 42104939.5600 23251193.1000 52751848.4200 45290829.6600 40522321.6300 50721457.8700 38696.6244 35911.4860 32459.8260 32535.7313
6-Amino-1_3-dimethyluracil 1588787.1730 3507218.9340 1046091.7020 1167524.7110 156832.1367 183736.0349 1811978.0920 1855570.3260 2060840.3260 1378174.5260 1830321.8550 6102382.7910 1184694.3050 2383300.7660 3702372.7790 7372721.5910 1930167.7190 5121036.3240 2115681.0130 5752027.6990 5559895.3200 17614793.8100 3874350.2610 10041159.5000 8388826.7620 16597459.4700 2942767.3770 8193464.4540 3193462.2390 13650165.6100 90611.0852 2522903.1730 2415723.4380 2493305.9810 29271.7900 25555.8559 23556.6000 20999.5746
6-Aminonicotinic acid 12992431.2800 9339328.9650 16390959.0300 14909318.9500 16614339.1100 7237755.4710 18712899.5500 15463017.7800 23092512.7000 20088255.1400 25454882.5300 16990932.4000 11867032.5500 7971724.0570 15697479.9300 10075417.8100 25152064.8800 16868797.4900 12715846.5000 8258698.2770 16471956.3400 10388622.8100 18378773.1400 11293129.3100 30065438.2500 17165984.0300 19323126.6200 12960936.8500 21844902.3900 13105126.8300 227062.7562 21101344.3400 17954277.3200 20310683.2200 39316.0793 35399.7552 54118.2233 30364.0662
6-Hydroxy-9_9-dimethyl-5-(3-methylbutanoyl)-1-propyl-9_9a-dihydro-3H_6bH-[1_2]dioxolo[3^_4^:4_5]furo[2_3-f]chromen-3-one 37261535.1900 21547286.6300 30759123.4600 30181165.5300 37948302.7600 15208406.9300 38898988.9500 34440205.8500 39107013.2900 34672046.1000 27784406.4600 18321827.2200 27960321.6100 21058304.2800 37842676.0100 23677053.5400 37198945.6800 21394874.4800 36024638.6600 21634295.5700 27761269.4300 19434495.8200 34566560.0800 20965769.0100 26789028.1200 17387121.8800 38338738.3000 26083482.5600 31110151.8400 18637841.7800 27617039.6600 30390780.0800 27565595.1200 28573318.1500 13103847.9500 11968828.9300 6081448.9640 6984643.8090
6-(Methoxymethyl)-2-(2-methyl-1_3-thiazol-4-yl)pyrimidin-4-ol 51121.2812 28160.1420 9489821.4540 8295775.7170 55429.1154 20233.9627 51885.5194 32892.2677 2830892.9100 2935735.2460 7088869.0560 5129594.2740 44704.6594 24968.4387 1321555.4330 831187.8736 1968702.1960 1233008.5170 4752152.9370 3059612.1880 88927.3990 50430.7791 50318.7081 27408.2798 60017.0027 29507.1886 64716.3146 34019.7715 51309.8906 28570.6986 1420644.1880 1210535.1540 1076205.8780 1374824.4430 40525.5172 50806.9236 57115.5955 65828.3489
6-Methoxyquinoline 6-Methoxyquinoline 44583982.8000 35805287.0500 6635891.3890 10379050.4000 36690912.6000 14294921.8200 13587466.0800 8643703.9630 7727740.7750 7073188.3790 10047166.7900 7063199.9660 22284063.6500 16402542.2700 13788337.2900 7698448.1820 13073958.2500 8508623.3700 14256126.1000 10346491.3500 15257810.2200 10159088.7900 8110514.7930 5288422.5680 5961646.2450 2746161.1240 27897221.3200 19514570.2400 11764082.8900 6763626.1120 29114306.2300 14923628.2800 13799243.5900 26501538.4000 56187.3789 59336.7148 58808.2229 62882.4850
6-Methyl[1_2_4]triazolo[4_3-b]pyridazin-8-ol 20711118.1700 15371387.8500 15142433.0900 17836305.8000 35683009.6700 20369395.1000 29686230.4300 27825455.6400 28876856.5000 23501060.2300 31122927.1500 26097185.4500 19014722.0100 15694888.8600 35274786.7100 23742866.2500 22135378.1900 16258241.9500 19883058.0500 15233205.6200 33373931.7000 24112653.8000 34375115.3700 27251127.6000 30489293.8500 22923432.9300 30753148.3500 27335157.7000 22730171.1600 16633818.5300 28308486.1100 29246755.0200 25722688.7300 28761475.9100 41587.4581 22930.0438 55986.9348 29715.1059
6-Methyl-2-pyridinemethanol 2704223.4880 2442163.5330 406119.5968 1409081.2610 7015925.8550 2722515.6340 5405857.2250 4952883.1280 1336899.3460 2514644.2830 2549256.0530 1608085.0530 1343670.2190 1542901.1110 1747110.5900 1835172.3570 1552185.3540 1261077.4840 2966587.2110 2422155.3280 6453914.4230 5420914.8330 1891156.1860 1556468.8180 2226163.6470 1841377.1860 2104095.2150 2428785.4810 2763140.7680 1984727.9770 6260210.4080 6334767.9040 6089323.5630 6286790.3160 113881.7593 125304.0454 31320.5787 105147.4479
6-Methylnicotinamide 1784560134 1289917081 1725461234 1487467547 237913121 74915194.0700 2882204444 2231961671 2772312279 2421351522 433609068.2000 258878456.7000 128538425.9000 81384903.2600 2115520593 1234381289 244556332.8000 133240316.7000 219644058.9000 114016296.7000 4474350863 2810688082 4225403773 2382929383 3207628699 1691277112 472486591.7000 269023638.8000 1868870831 974109186.2000 2346022971 2069608361 1944952374 2274418202 42113.6740 29823.9913 28748.5054 67151.4809
6-Methylquinoline 6-Methylquinoline 35153957.9700 19341111.8800 24049542.0600 30144616.8800 37376155.1200 15383063.4400 33917892.2200 26439488.0400 27234160.5700 25090487.9800 52495687.5600 33372818.5400 31206579.2600 22026183.5500 38998299.5900 24815493.8300 39750877.9700 20855925.7600 43504013.2700 21460813.4600 33801607.8700 19263209.1100 37987586.5400 22021487.6900 15732749.5100 8465327.3940 44721258.8000 26544668.0600 31697771.3300 16133157.0500 472746161.5000 489301253.1000 447107400.5000 480482466.4000 47904.1231 46570.5431 45572.6905 47216.3169
6-methyltetrahydropterin 6-Methyltetrahydropterin 1988879.2730 2392655.8580 595310.0531 797776.9598 3123298.4450 1812305.3610 933186.8422 1875844.9200 1318918.5960 2448412.9660 2550420.6710 3551021.2160 2023641.9150 1958826.8090 1670285.4790 1965645.2320 1117334.3990 1322415.7130 2638589.6310 4703033.9250 6602738.7440 2771814.7320 3468476.9640 2417896.6950 1731575.9860 1226101.4640 1918105.0760 2102392.2770 2257770.4630 3569666.9860 255810.9023 2167021.4610 2607941.2400 2236353.3770 33194.4404 34589.7661 36035.4227 43802.2015
6-Oxo-pipecolinic acid 46628125.0800 25329368.7600 41318618.6900 64350013.2400 91492746.2100 73480086.7000 57621883.3500 39971363.3900 56057933.9300 42020656.5200 141788297 67372967.3200 115076006.4000 60356566.7700 152583794.5000 75118781.2700 141359042.8000 68977800.6100 181972948.5000 69561750.8100 52506928.9800 30836401.4800 69153300.1300 31347688.2300 71098477.1300 86854256.8300 64220423.9000 32560831.3000 47850481.0600 80182398.6500 89290622.9200 84379469.4100 74548020.9300 88485106.7900 119156.4061 114196.5190 95854.8648 49693.4607
(6Z)-6-Tetradecene-1_3-diyne-5_8-diol 10255634.5900 6749327.7670 10824998.1800 10711098.5100 9359153.2400 4272923.6720 10858533.1800 9045373.7170 10035383.3200 9030562.5520 2648760.5580 1481683.5100 1909304.6720 1627377.7960 2363283.3390 1403859.3730 2807666.3400 1764884.4870 2875373.6870 1335746.0500 6427485.7930 3208534.1060 8669323.3180 5597019.3460 7450738.1490 4427284.4910 9742640.8060 7500686.7580 8678074.3590 5672275.8350 77238.6247 6520327.5860 6316394.7040 6471429.8470 74187.7802 69068.5658 65450.1383 64359.5718
7_8-Bis(hydroxymethyl)-1_4a-dimethyl-3_4_4a_5_6_7-hexahydro-2H-benzo[7]annulen-2-one 33291363.5700 25593066.2100 36380489.6000 36497003.4500 36093090.2500 16527189.1800 39275571.2600 29622442.3500 34939788.6800 28723679.5000 3498326.0340 2187327.1830 2327568.9270 2030351.7050 3996546.0890 2826746.4650 4285692.7680 2717584.4540 3154305.5420 1933772.9770 26001994.1500 19910507.0200 30255750.2000 20076479.5200 26929159.1700 13801692.4300 38100901.0100 26582826.8900 34056173.1000 19597960.6000 25140785.6700 26731839.4200 21407109.6600 25995106.4600 104814.1702 364414.8663 748310.8574 954867.9095
7_8-Dihydrobiopterin 7,8-Dihydrobiopterin 2776982.0330 1404088.2610 2016722.6300 2372708.0910 2782082.8160 861543.3742 3101628.1330 2177235.8500 2274412.1530 2529943.2290 2042564.8320 1304011.2200 1820177.2990 1063134.7720 2085032.9100 1110224.2890 2652395.6100 1281399.3040 2376769.1450 1303507.3460 3835122.9610 2102704.2140 3181196.6710 1621437.0010 3597853.8160 1714591.6980 3899271.3950 2498402.3300 1660560.4380 901041.0599 227422.6790 2250272.7780 2164755.1560 2233987.1590 19682.5160 19321.7746 19803.2734 24006.7667
7-Methylguanine 7-Methylguanine 36687373.7100 22873037.8800 39396496.1400 26895212.0800 50510161 21751640.0200 38617364.3400 32079817.4100 49592900.3200 42497388.2300 46863100.9400 33086438.2300 24536417.4700 16535188.9300 33839717.7000 20682124.6600 31576398.3600 18991881.3400 27795525.9300 16573040.0300 64321260.2600 43003030.2700 47177446.9000 26721096.4200 45636462.3600 24920312.6200 39658055.8400 27501045.4900 30069588.2200 16883016.3200 45761810.5700 44215078.9700 40512606.5200 45637306.0500 26087.0481 24523.8821 23165.4488 23523.0598
7-Octene-3_5-diyn-1-ol 4987132.7600 3504036.4210 5175563.7840 4993535.3050 5282742.9910 2750716.0090 5675820.7510 4850290.9830 5994020.8760 5779451.9110 6855873.1820 4749343.6440 5825986.5030 4461282.4140 7156088.7600 5238594.6320 6625014.1810 4373425.4210 7142576.9940 4231006.5030 3947195.3330 3351126.0810 5719129.2340 3299732.5160 5298337.4230 3313118.4540 4988459.7730 4371045.3580 5578391.9890 3469515.7930 68117.3568 5743298.1240 5518746.4180 5693124.8420 74491.5847 62573.4169 60898.5747 62821.0054
(7S)-6-[(1R)-1-Hydroxyethyl]-2-imino-7-methyl-1_2_7_8-tetrahydro-4-pteridinol 4971523.6650 2567954.6110 3877963.2780 5881629.7730 6323047.6610 2104550.8310 6395740.0690 5198766.3720 9612332.7940 8353594.6310 4304685.7560 2666221.5800 4050017.7160 2535891.4680 6105157.5020 2686717.5690 5205533.8210 2380551.2640 4738229.8220 1994700.7900 5679551.1400 2991469.1210 7319078.1510 2967805.3490 5963490.7230 2774768.1900 6148556.4890 4589975.8020 5138418.6880 2500030.8800 6729107.9810 6776384.5760 6772669.0320 6743963.8250 55123.0920 50268.3040 34134.6138 32527.8142
7-(tert-butyl)-4-imino-1_2_3_4_5_6-hexahydropyrido[3_4-d]pyridazine-1_5-dione 1588901.5020 1175746.4860 357736.0456 1243383.1080 2035652.2820 1023098.7410 1354886.4930 1160866.0500 1632163.2430 1799705.5810 2723357.2660 1948423.1810 1782578.5200 1412406.3500 4777436.7100 3311015.6410 3123812.5220 2119985.3460 1301618.9680 935285.5985 25673754.2500 21310725.3000 76382684.1300 48868924.4200 6199721.9300 3667814.8080 8802118.7230 5940348.4680 12203444.8400 7444453.7230 18843545.4900 12733846.9900 11513892.6300 17623888.6600 39199.6082 39078.1333 38876.0017 40986.1665
(+/-)8-HEPE 8-HEPE 27342513.8200 17382546.8300 18961567.0800 18925239.4800 18220591.8100 10064110.7900 22459643.4700 17263076.1700 22863081.5800 15478260.0500 27284025.5600 20716985.4700 21891560.6300 18304302.0300 31883709.5600 19948312.4200 28504067.1100 18603719.2900 30042948.4600 19275059.2100 14313249.4600 9841650.4620 31588265.6600 19102444.7700 27965681.0600 16608880.8200 35225598.8900 25221346.2600 21285808.1900 15204886.9200 21197219.2700 20929700.1100 19992860.9400 21142962.2500 140072.2680 143258.2387 183086.2668 94245.3680
9-Anthroic acid 15675744.4300 11015437.9100 33015959.0200 30802990.3000 15343182.7000 5515623.6050 11703547 11365133.3800 34074925.8600 29917752.6600 15340308.9500 11547815.6800 18920492.4300 13952448.7200 10966014.5400 8122802.9210 13175649.4300 8898977.0940 30268624.5900 19209914.4900 204620.8569 7120370.5700 8265293.5530 6024042.5070 21457270.9400 13605125.4200 22479163.5800 16180937.8200 8813400.6940 1349600.2510 20533000.8100 20793840.3500 20426511.6400 20630708.9700 72065.8791 71364.7662 50696.5847 51799.4557
9-Nitrooleate 9-Nitrooleic acid 2820968.2830 1796307.0570 2597574.7190 2296586.7570 1600227.5600 437797.5831 6142875.1980 4568522.0430 2097604.5380 1778939.8970 3708820.8570 2362413.5590 1777094.4960 1078478.7110 1729340.6790 930377.3068 2905099.7740 1658991.4280 1540693.2680 801233.1574 373440.9517 281407.1415 859633.0297 477916.0496 1171406.6590 649800.3219 1150376.0060 756400.3546 901323.9735 577704.8213 534898.1494 1738268.3330 1660913.5060 1717406.9730 135419.1823 129968.0722 124563.4191 1959351.7290
Acadesine AICAR 1605389.2470 1107041.3450 1754752.9660 1916530.3120 1885326.8720 538442.4850 1389984.1200 1103628.7460 6564620.3180 5112929.1670 2029221.0920 1032734.7740 872359.3151 403279.7961 733255.2018 355047.8333 1585649.1370 915467.6663 1171852.8790 578858.7560 2098137.8700 1175872.4250 868018.6519 679317.1079 899655.7915 444954.1553 772454.5197 499646.0634 660465.2159 350470.7199 257012.0689 1382316.2430 1145320.2800 1328934.8280 27041.6740 25560.2360 23353.0734 24259.5287
Acetoacetanilide 458872.3458 381678.3696 814650.4438 736633.2962 509561.5644 69343.6116 1057320.2550 791585.1043 267136.0619 407971.5965 272301.1845 173796.1465 358931.6662 272231.0748 147211.0965 100086.0247 191766.0767 113539.2307 254082.3163 160236.5214 39242989.4700 25046753.7500 56326014.9000 29462720.2200 46717201.9000 22584627.2700 55324042.6300 35031431.6500 45717084.6000 21258744.6000 19506937.8100 17321875.8600 15918092.9000 19011548.1700 46906.5061 32403.8985 30463.5298 30827.6078
acetoacetic acid Acetoacetic acid 11289604.6700 7790537.7650 12576614.2000 11992291.7100 11285924.7800 5227107.7350 13962325.2500 11791955.2800 15845172.4700 13701597.9500 9536598.8460 6664942.7150 10138762.6300 7168318.5710 13886375.0900 9275496.8950 16111391.9300 9698620.2200 12372933.0200 7069351.4510 8010768.4110 5545394.6580 8831302.7100 4832153.7400 10950319.3200 7260257.7630 10302083.0200 7307627.0750 10151244.2000 6177364.7080 411710.7651 12539511.0100 10989280.1100 12107006.5500 119420.9889 84835.4519 72741.5118 62889.0706
Acetophenone Acetophenone 17035748.4100 11317006.5200 14505883.7300 13082095.6700 25698462.1600 8785932.6260 18803137.7900 13275199.3200 14439515.6200 11836386.7100 18559777.4500 10863380.3000 15652123.9500 9237046.0500 7119703.4840 3423173.5690 11313825.9500 5916774.7900 10251387.0400 5593823.3270 21906778.5100 12889394.3000 41302604.1600 21009260.2700 9690771.5660 4549762.4870 12821897.2500 8644283.7990 13421828.1900 6117318.0420 30154858.5500 18118386.7700 17451485.1200 27529821.4600 328167.2677 279056.3133 327775.7691 447628.7338
Acetylarginine N-Acetylarginine 5517412.5040 3220705.6040 5360191.0790 3915989.1310 5488758.4300 1752987.3500 12273191.3900 8793340.8090 6019356.8300 5289662.9220 5381778.9580 2875443.5340 5542327.7740 3101008.2700 8566441.5970 4311349.5010 5513750.0370 2644970.2690 5477689.5380 2609693.0590 5660897.8460 3077253.9190 7083789.2250 3591366.0060 11444008.9100 4076585.4920 5757117.0930 3527744.3790 9659726.1210 4075300.9910 14324990.4000 8519382.0880 7432421.6450 13290720.7700 25034.9636 20785.4354 20354.9361 22349.9718
Acetylcadaverine N-Acetylcadaverine 217977.5317 144560.6299 151086.6292 268335.5734 241915.0072 117004.3915 301583.6123 273837.4091 297481.7603 286012.6019 7177662.2760 4475339.8420 193969.0458 175356.0550 254709.3465 209394.6241 1465889.6190 1137324.5040 244966.3692 189383.1171 258742.9102 179144.6851 189398.2366 150480.2198 282441.7278 183764.0737 245625.2812 197804.2501 225653.9943 171790.2995 148491.7724 756940.7255 566304.1157 698281.9560 52064.3935 30946.0594 35414.1833 21746.8623
acetyltaurine 70402376.3700 44332150.6900 43338700.2400 45032971.3500 64946514.6200 27548410.4000 68412858.6800 57280727.6200 68516505.1000 61303153.4900 50001397.9500 34456522.8300 62927609.7600 41360288.2900 67247128.3300 35977719.4200 47228786.2200 30843248 63902090.1300 38494296.5300 55904402.5900 38419197.6600 84259897 47685087.3300 55363926.3500 30907361.8100 72985226 50786144.5200 59505226.2300 33403840.5700 51284808.2900 52293353.0700 53044472.5100 51513098.9800 145370.5175 137240.0689 130832.5154 131267.6257
AC-LYS-OH N(2)-Acetyllysine 9989160.4740 6333191.5730 11766748.3300 8551286.3890 18722084.4400 7417661.0470 16748020.2300 11823248.7400 10459684.5000 8966356.4010 16380917.2200 9985329.7270 19417420.8600 12144727.2600 19405607.3600 11653022.7400 21079560.6900 11651437.7300 26342826.2000 14359832.9200 11115001.3900 7216538.4660 13627530.6700 8234290.1080 18034947.4600 8841919.4130 14783486.3900 8922931.9050 13129830.2000 6558982.0180 1304191.9680 15615141.8700 15004046.0500 15466053.7000 25377.3317 21443.6901 22845.0511 19048.8068
Adenine Adenine 103299790.4000 69614439.4000 238938858.7000 231083594.2000 119015584.4000 48747575.7700 263902995.4000 200534682.5000 108602373.8000 91128567.5800 96667871.7700 58408766.4600 278522978 177472117.2000 396766065.6000 235802061 257010711.5000 154104292.8000 395075695.7000 223145057.2000 142223242.3000 87971600.3400 192464218.2000 110276063.4000 129277501 72582186.8400 220631731.4000 149417505.3000 158917966.2000 83058786.9700 256343532.4000 214616427.7000 193478760.9000 246260485.4000 106852.8926 206486.5444 73640.3698 279104.6459
Adenosine Adenosine 1133707864 827415717.6000 1402435742 1163785199 1430189416 638404024.3000 1390229370 1180731513 1148316359 1037853792 879655744.8000 643391501.1000 1513789816 1062341025 1603771572 1141064378 1598487253 1059372768 1787155433 1167035392 1269490521 910559697.5000 1465069078 969588986 1310437808 831330994.1000 2005463328 1451772638 1302191401 775928906.6000 1488516892 1460594883 1463015598 1481313983 32482.9786 169077.5071 172227.9366 333172.6863
AE4025000 27727652.1900 16627260.7800 44590387.2000 31401747.8300 33769226.2600 11079813.7200 25389445.8500 23410564.3300 26596631.5200 24759215.6700 18396793.2800 7052276.4190 25711652.1800 14100401.2900 31112377.5800 16619309.0800 19922832.5800 10271600.5500 27596468.5500 13319465.2800 31309457.6600 15853668.0400 37097756.7000 9921791.7760 20536087.7100 8095187.1100 46566308.9200 22019964.4300 28261298.2700 10992436.4500 43471754.9300 27060364.0600 24191777.0900 42358573.8000 78869.5084 49956.9220 116989.8829 64448.7466
afegostat 498871.2600 390617.4573 347107.1704 383362.1271 419340.8781 262401.9493 403756.9886 365551.2874 364932.8536 546372.8606 502497.4528 413338.9154 620135.1926 358363.6876 378120.2959 305756.3099 446058.9805 379269.8695 468121.2770 325757.7489 26712447.2800 20123532.7800 7693870.1190 6961051.2700 1765953.0360 1237811.8890 6579315.4830 5660404.7140 8104636.2750 5709030.8260 120098.9520 3974213.2150 6381315.7810 4385934.8910 24018.7356 96497.7471 21593.4521 83884.5216
ala-cys Ala-Cys 1722521.5160 1030070.0240 1581568.2280 1889245.5260 1025784.6580 363591.6232 1383251.7790 1353571.0560 2495476.0370 1894957.8850 2722013.1420 1588630.8680 2499678.4700 1767978.4320 3851056.5550 2449697.9450 2930035.7210 1757674.2740 2917352.7430 1590956.9620 1533816.8610 906789.4500 1412347.0060 770666.5354 2465755.9740 1232052.0370 1543542.9220 984658.9233 1766543.5980 856195.0025 617891.5944 1816624.5390 1608219.0580 1765905.4390 49426.5868 48870.2598 45212.6965 40649.4814
ALA-PRO Ala-Pro 28714970.2000 18135901.8900 33350895.8700 36824566.1000 39681205.8600 13694499.9800 38982970.7400 28949399.3800 36714774.8900 31541807.3200 51150303.8900 29755705.5200 62751861.4400 36466167.8800 60550743.4700 33781356.7700 65926717.6100 37383680.1700 95754006.9900 47239145.7200 32400543.3600 19656448.7700 36913402.8100 18042796.8200 38363927.3900 19545924.3500 46094282.8200 27520202.8700 33132048.4100 15720320.0700 50812763.2800 40607965.8900 35012962.0700 48178506.6900 171863.1580 51439.2760 37236.7568 128816.0102
Ala-Thr Ala-Thr 1796659.0820 1083756.4270 1964665.1460 1751091.1000 2963332.5200 1047515.0740 2600996.6750 1999142.8810 2335085.3880 2275330.9420 2100438.2360 1198746.1880 2728804.5960 1767779.8390 2851857.5630 1650610.1770 2195815.3320 1260253.6960 2969269.5830 1690955.2460 1434143.5140 767811.8838 2474904.8660 1288795.2030 5305542.7970 2977152.6750 2046808.3960 1101468.8240 3405013.1310 1660813.7700 27151.2985 2174402.4600 2202931.4980 2181018.2470 25704.3023 21489.1561 19928.3093 19774.8302
Allantoin Allantoin 71278130.3700 64873824.7400 23683422.3900 54068282.7300 90253665.2100 45138057.4900 88367975.5200 84008704.7100 100411213 92382729.3600 95014504.3800 63353364.3100 42014349.6600 33865961.5400 60568416.0400 47651268.9500 49475572.8500 36924071.4000 44350132.6800 29521013.1000 101600612.9000 79760292.2100 91144984.0900 62631195.0600 105128854.9000 77349601.3500 86226786.6400 71799624.2000 91656213.6600 56016442.3600 93702780.5700 80716198.4000 89916665.0900 89804342.4400 155292.8492 150084.9459 145873.8942 163053.9472
.alpha.-Aminoadipic acid alpha-Aminoadipic acid 1174694109 641826701.8000 1756195980 1587026553 1595562376 404576499.8000 1948939944 1469693329 1511032065 1295622253 1010703197 556264876.2000 1286905479 732174418 2119331381 1040827677 1359088785 613324307.7000 1638197474 774337474 838417340.6000 453814557.1000 1006891424 472932629.5000 1665985672 702850846.4000 1229613789 643423406.3000 1177155206 479971637 17283124.8900 1392377147 1267299536 1360865129 186983.2999 154307.7187 138799.9059 138136.6047
Aminohippuric acid Aminohippuric acid 6439574.7770 4004907.6540 4852956.4530 7404676.1070 2950858.3580 983317.2358 2995416.0800 2375257.3860 10067841.1600 7993189.8220 4809148.2000 2888747.4710 3152475.4000 2042602.8220 3012072.0920 1905860.4790 6086215.5920 3499623.7590 2428469.4530 1487186.5980 7306336.1970 4183904.1020 5153686.2050 2860915.1230 3369525.8610 1648043.6230 3934306.7960 2942204.6530 3512526.8240 1689274.7270 4821853.4960 4621301.2070 4303389.2810 4796226.0210 26740.0290 50358.6675 25586.3558 26589.8478
Aniracetam Aniracetam 226133.6388 595553.2352 845989.6062 828466.1876 283742.4717 267481.5763 406039.8858 1245114.6790 369704.4502 982441.0729 472537.9164 357993.3554 242251.4542 567955.4098 444676.6744 535725.3211 312681.9054 306134.9333 239860.9002 604072.2827 435748.7150 812397.9923 395739.5048 922671.8657 432948.5777 591516.4543 411847.4473 762107.5938 209062.9412 474723.1842 100176.5620 4166986.7310 3878997.3120 4080753.0500 39504.3069 29747.8752 23839.1708 200347.2292
Anserine Anserine 5480235.8620 3081904.0220 1383336.5730 921211.7338 1789043.4450 512299.3552 845254.8559 697415.2366 874965.0881 655144.7637 1373446.4120 843265.9539 601200.4996 312353.1591 1037653.2160 422741.4850 1173639.0670 535023.6237 1196487.8850 508903.7162 2148486.6740 925695.2889 1915953.3230 915495.4337 3505456.9830 1317674.5110 995400.6725 470998.1506 1849234.0850 674028.4205 1565487.5020 1208532.9480 1306727.0670 1467860.5350 20914.7554 20894.8691 19741.8088 20114.2184
APM 5606392.2520 5483639.7680 4809830.1710 9538191.0370 6554099.6890 5153734.5690 4090372.4070 3624316.8660 3656915.3660 3759037.0920 11783985.9100 13375957.8400 11243838.6500 11231583.5500 13457005.1500 14041889.8800 23782640.5000 15993943.6200 8987128.4050 18673044.0200 3827525.5850 5234253.0270 4332038.7920 5876356.5830 4158424.7450 3735949.1050 11162855.2500 8229347.0110 5745381.4740 3606987.3790 23391207.8900 19962589.2500 20054264 22648916.6000 257467.5303 199284.4093 208749.0921 39466.3313
APV 9509907.1390 7161185.9070 19162149.3500 17775159.2100 10484570.9200 5521809.5330 11937689.8200 9655324.4920 11751647.1400 8815484.6810 4785036.3140 3929416.7400 4196422.0560 3340642.8840 5958512.8700 4247895.8820 5474878.5310 4002702.6620 5295112.3760 3580757.4210 7776040.2000 5401629.9720 6898536.5700 5528288.9790 7021597.2500 5942793.2240 10326401.8300 7477792.5830 10662036.7100 7414618.7540 10046004.4200 8692263.1340 8145930.1350 9649581.1440 9055320.9740 186577.5328 202275.2519 8592510.8090
arg-ala Arg-Ala 1298322.1750 722311.0497 2663262.1720 2153241.5980 2065123.8290 577190.1103 1628454.5650 1011110.9740 1535231.0640 1687229.8680 3402997.3860 2304440.1260 3913025.8580 2511627.3090 3281295.9940 1097778.8730 5046903.6240 1653516.1280 6040048.6090 3183182.8710 910237.5925 544039.4916 1010546.5240 580212.3985 2999371.2490 918095.0780 1406223.6180 741218.2375 1031098.4680 356019.0287 127638.5814 1720962.3480 1818670.4720 1745491.7730 144326.8028 82476.1525 99302.2837 24467.0166
arg-leu Arg-Leu 1581349.7830 901895.2547 1874202.7760 1839561.2230 4156362.2810 1088912.8320 2693076.8130 1859165.1760 2220290.5730 1880450.6560 3975555.2080 2235110.9820 4306343.9260 2491241.5100 4398827.0680 2920618.6450 4264336.6400 2066427.0480 5090847.3130 2650389.8500 1606918.0570 890563.6374 2769673.0730 1300372.3090 5365439.5250 2350176.0650 2433682.8520 1339930.7440 2637824.3590 1186195.3820 31009.4083 2837872.1780 2829015.2830 2835556.5550 29020.3767 26086.6891 22346.5397 20544.6099
asn-val Asn-Val 492531.9392 83790.7788 174838.0236 581747.1453 1279166.2040 86379.9370 520519.1819 307682.6956 548005.0408 302536.5332 2148539.8380 232469.5759 2510516.8820 678998.3534 1908786.3770 75868.4749 2196216.6950 468552.9953 3523626.5750 371975.4852 516128.9051 73963.8599 716146.1482 79159.1241 1125132.4860 141726.8217 598384.9520 92895.4504 366993.3543 75021.9208 126678.5059 1066739.1060 903679.6449 1027367.7060 24908.5419 21553.8060 19213.9999 19571.3724
asp-leu Asp-Leu 2548359.3140 1078309.9990 3745392.9870 2887240.8210 5562723.6420 613054.8017 5183277.9420 3101468.4550 1991709.9630 2849194.0380 3453479.7390 4448012.2120 6384515.3720 2951784.8030 7174202.4130 5940282.9580 5570501.0440 4396954.5670 11259979.7200 612727.7990 2623309.5640 1407449.0810 3539768.4560 1455539.1220 4684616.0200 3598395.7370 5138768.4940 2979332.3860 3937260.4980 1512433.7330 6961650.9560 5236009.0890 5499668.1520 6304274.7760 53341.6384 53366.9298 42906.1097 40215.5015
Asp-lys Asp-Lys 904754.2741 545549.4382 2111298.5720 1907261.8250 1785192.6850 449033.8171 1270736.0630 1114563.0280 1841130.5980 1776349.1970 5399965.2850 2851859.2420 3317579.2180 2081653.9540 4446814.5700 2166084.4030 5803202.3210 2678605.2800 7718105.8340 3144833.7490 1300637.2840 671497.6761 1465240.6450 573213.8379 2231827.7820 1000165.4420 1346620.6660 710601.6059 1046598.2620 371572.1573 2707862.3650 2119596.5810 1958185.7320 2561210.9590 23696.3126 20643.4844 19183.0494 20527.4928
Atropaldehyde 736617.7861 728063.2846 1104889.1510 599214.5963 764425.7785 437898.6594 1086001.9840 729102.7283 1412616.0670 1393897.9740 18427941.2300 15516585.1000 534186.5926 371958.2663 390228.3028 275309.9563 924125.7586 864733.8317 2433318.8620 1971532.8310 1280095.7070 1184873.2020 515659.3292 512378.2338 369482.6800 242804.9460 1186338.6370 1060433.4410 690095.4794 562271.5008 1798072.6100 2004261.7710 1670430.7470 1876247.5000 63294.3956 24174.7697 16932.9932 15771.6501
(+)-Australine 2734921.6600 1576738.3090 4868934.6900 3766403.6230 4346004.6740 2599205.9850 6017859.4530 4384803.5970 3592107.3650 3176246.1880 4716721.1180 3331072.3670 2018021.4040 1474359.2770 3923742.0260 2787873.7860 4239223.6040 3424694.8930 2818813.8610 2744384.0990 3626184.1180 3183115.1020 3264211.6850 2722095.6590 4145377.2230 2820678.0690 4598402.1190 3741021.3080 4529931.1370 2342693.6060 309214.1722 4328611.9850 2880640.5180 3899315.6240 87848.5062 89543.9931 61407.3227 58094.9697
Basic Violet 1 67622.9390 160317.4549 353463.3575 325185.9348 157460.5994 130890.7396 185624.7133 248547.9794 2261745.8450 2782066.8220 1857881.8580 1994254.0980 928639.6042 1225172.6800 443957.8995 368150.1301 833553.9262 533787.4234 3499833.9930 205068.4253 181545.1857 159544.0570 149662.5828 127947.1433 407768.2912 143631.4860 270456.3702 163427.3195 435090.6811 150234.1532 711795.7337 656634.2185 610384.3811 680906.6600 157118.0955 104746.2763 81890.4579 79849.4899
Bemegride 1589223.1110 3640550.4720 2995509.4950 3259244.7320 532332.2862 205938.2565 2360915.5870 2998950.6660 4086028.2840 5019528.8790 1248592.3180 2827844.4790 699021.4280 2578443.5390 3313715.2520 12867955.4800 2334548.8430 5893117.4800 3018490.9560 7609159.6800 2220699.4000 8138904.0050 1464833.3450 5646999.9970 4112531.1610 12973043.9300 2764164.7970 10007301.4400 2584595.1660 8682565.0540 2007146.0830 2925009.8470 2561808.9810 2775117.4500 240650.6148 231459.5856 106051.5088 93936.3182
Benzoxazolone 2-Benzoxazolol 3643989.7930 3694058.7910 1230345.9540 1437136.3850 203330634.5000 144307654.7000 5512285.6850 4355756.4910 3631445.9920 3514242.6210 344844917.8000 310080241.8000 269771727.7000 241411376.3000 5541060.9000 4802855.1320 245694802.7000 233055771.2000 397868795.9000 405249130 15239002.2900 13857285.2600 18146855.3900 21587832.3000 6487468.5330 6556165.5820 434029196.8000 390779678.1000 6095664.9550 5307539.9500 150504576.5000 130136445.3000 119526624.5000 146057859.8000 101281.7305 131698.0606 151915.8367 90254.9107
Benzyl butyl phthalate Benzyl butyl phthalate 5813498.1500 3437514.9320 13591089.1700 12994413.5600 9874918.7310 5782934.4040 11738044.8300 9872543.7880 8831544.1930 8319469.6040 23138933.6900 16564832.3100 13532331.8100 11197083.2100 11814872.1100 8361254.4220 24773946.3500 15573544.9900 14982964.5100 9106564.3050 1671619786 1208922337 21703543.8000 14043613.4800 27451467.1700 16627249.1400 205500101.5000 151619486.5000 13197299.0700 9219292.9310 355152736.4000 331358064.5000 314543188.4000 351171036.7000 104239.8658 102458.5243 143639.9714 142566.1614
.beta.-Alanine beta-Alanine 30549906.2800 20337827.5600 43055974.8700 30751308.5100 46231354.5600 16252605.7700 36964033.9600 26312859.7600 37570857.7800 30075861.4300 21347462.8400 15225617.0500 27581926.8000 17192057.4900 27816908.7400 15778959.9000 23934823.9800 14054736.1000 25157146.0300 13495927.0200 32081734.4800 19163518.0800 30584185.6200 16006539 37634479.9200 19098588.1300 26760577.1300 17330462.7600 33059094.3700 16463722.3000 40146842.9600 32939608.7600 29783347.2700 38628875.6300 28059.0212 214672.6975 204272.2259 60813.3578
Bethanidine 2047618.4450 1469178.1390 2534321.6970 2486311.2410 2146387.7070 796886.4638 3178676.6750 2492636.0870 2062920.8930 1722815.3110 2190197.0160 1288444.5920 924358.9221 636374.9558 3078457.5480 1863599.3710 1010957.4480 712702.8241 2691667.7390 1583880.3610 9760255.2300 6167954.2360 5165502.2980 3009561.6330 4064340.8500 2250455.0700 17044128.0200 12922997.1600 3106448.8160 2510936.2960 4328013.2160 4306943.4830 4290571.4580 4322478.3900 17744.4876 16525.1204 15547.9835 14360.8072
Bis(2-ethylhexyl) amine 981316.2587 330155.3541 1687264.1200 1241571.1400 1114882.7230 258239.0147 1472946.2790 1585206.6980 1012303.9760 1219976.2100 2263731.1330 358812.9823 1048973.2140 386739.5611 1289731.7190 588545.4127 1341115.4210 166169.9733 1148076.1650 339921.0906 2157482.2190 410804.1566 5763726.8300 539813.6998 5427629.7220 515818.9656 1182259.7870 306640.2403 1408522.7830 370463.3722 162419.7298 1765215.4790 1737343.0380 1758262.5690 143666.3569 135315.6141 45103.1691 136412.9943
Bis(2-ethylhexyl) phthalate Bis(2-ethylhexyl)phthalate 18613255.2400 13806064.5100 23304191.5100 20367654.0300 16161770.9200 11948990.2900 21704186.1500 18633924.1900 27568450.2000 26212516.8000 17906499.7100 13919617.0500 23915775.6800 18844401.9600 24639725.3600 17355943.2300 12102210.3100 8901805.8720 18649771.8200 12286505.8500 710453852.6000 477965837.1000 19026908.5600 14089160.3800 28043086.5600 20618877.0400 35647600.5900 28667150 89041096.8000 63247508.1500 139144515.6000 133758664.4000 125127156.4000 138573611 550650.5531 76101.0946 73289.1795 357783.1508
Bis(3_5_5-trimethylhexyl) phthalate 75270474.8300 54384925.6700 43402887.4600 31179049.5700 165132928.5000 125341209.1000 45801715.2400 32211324.1000 63759665.6500 44174982.4900 6586679.0030 97880584.1200 201257742.1000 156708761.4000 74573626.7000 63895485.9700 65480698.8800 56009298.4400 107522802.5000 88585754.1300 36562157.1200 27402992.8300 164784035.8000 119592779.3000 65664784.8000 51938369.8300 52910778.9700 50877640.8500 105028444 76493766.0500 634902.2370 19869915.3100 28892311.2900 20159031.9300 580896.2865 772050.2968 889072.9053 1260834.3720
Bis(methylbenzylidene)sorbitol 244933169.5000 165919405.5000 294179337.7000 278959319.2000 298186677.1000 151649928.5000 333154697.7000 255400532.7000 290570271.6000 268876771.6000 357911439.9000 261603491.2000 355167411.9000 255148071.4000 465406445.5000 301940941.1000 441859683 282069149.4000 382642268.2000 270246430.5000 143707211 130447077.2000 224547342 152638912.5000 229776134.8000 135848141.8000 258416405.8000 190257564.6000 268263205.4000 158320660 302086337.2000 283489026.8000 272842222.7000 297913791.1000 203214707.4000 143484101 145644061.8000 175091978.1000
butoctamide 13133602.9500 11239146.6300 39663047.6500 37099029.1700 19947594.1000 8040213.7690 19815888.4600 15504945.6900 33482995.0400 27691815.2300 17031055.2300 10549742.5800 15391121.9400 9894642.4240 20648358.8600 15197754.7700 20917958.5900 9264301.3530 20279080.0200 12600293.9000 40997198.5800 23803198.9500 22328433.7400 11022605.7500 37377008.9900 17527372.8100 28729617.8200 18053309.8500 18539022.9900 11628801.5800 22131102.8000 20994586.1300 18494897.9700 21756250.0300 8645570.5380 8981680.8160 8715461.7830 7699346.8950
Butyl isothiocyanate 546772.1198 583456.2690 627147.1116 643901.4684 490507.4092 296914.7745 738877.9367 563538.6850 727164.3556 753060.9229 24703691.8100 18873403.9800 774382.1099 403311.5562 841708.4976 461329.4007 10262465.4700 6669814.8020 559154.7813 417567.5669 2885921.2910 2357524.0590 451816.5012 372110.8455 731220.1404 486178.3310 691179.1820 550392.1444 595373.6227 418098.2724 143554.3106 4942260.6670 3383080.2860 4519498.5480 86344.5161 73262.4147 65333.4162 71902.1010
C16 Lactosylceramide (d18:1/16:0) 4139871.8610 3422850.6690 9465364.2440 6500291.2800 2660784.0330 4745527.8880 6329866.3120 6256184.1830 5730149.7570 3809570.2760 5372324.0190 2612248.1870 4046189.3050 3269197.4940 4838712.1250 6057151.5220 5652884.4840 2344811.8240 4856335.0390 1755308.2720 4624963.0680 5431535.5400 5134609.3410 3954110.5510 4163054.0180 5211707.6170 5508098.5110 5161688.7570 3501703.2860 4269066.8720 4621616.0360 3669757.3800 4880792.4410 4274354.7360 35954.1836 29648.9853 26209.5714 22558.1880
C8-HSL 5134143.0710 3395868.2410 5878874.9640 5632237.0580 6512813.2280 981825.3242 4909823.9090 4038501.3330 5440376.8830 4833021.4950 4801703.5390 3054282.0720 5826753.0620 3895513.4520 7725155.8740 4349748.4990 10973365.0700 5595418.4980 5501550.6500 3272073.8220 8522948.4590 6005721.0800 10368912.4900 7226687.3190 12352160.6200 6711256.0050 11282184.7200 6660789.2780 11420039.3700 6253712.7600 5336215.3350 7222489.0270 6515908.0650 5890976.7760 1555442.1710 5982803.4500 2183094.5630 5163187.9580
Caffeine Caffeine 582794617.6000 370907202.9000 545461478.6000 547941532.7000 644881994.8000 294412866.7000 677415696.5000 510306947.4000 580172836.3000 489076283.3000 601653818.9000 408996679.6000 594320207.2000 412050315.3000 707059651.1000 505730351.1000 708059566.3000 506043164.9000 752231335.7000 434508567.8000 485375445.2000 309506347.2000 523907543.2000 312676305 421466667.8000 227068873.2000 608651476.7000 422204300 516347529.4000 290687539.3000 706839470.9000 673979913.8000 622707108.3000 700119172.6000 1342893.4850 1115602.0240 107993.3692 124028.6015
Caprolactam Epsilon-caprolactam 53384480.7600 37252924.5100 65093220.6800 74615078.8200 61451677.9700 27949261.9900 79427882.7200 59799076.8000 68961288.8200 65506901.2500 60635562.5500 40679249.7200 46598654.3200 40277891.8600 53946434.7500 50260267.3600 70137891.2200 44847948.0300 79805405.5900 47453298.3300 53596814.9300 33533259.0400 54085888.0100 30646369.4200 59032341.6500 36314245.7600 82320748.5700 60255586.2300 54725828.6500 32323169.8800 55070230.2800 53665226.7700 51187340.8600 54584632.2900 16155561.1700 15489992.4800 14645666.8900 25409607.6400
capuride 4291306.4380 2779482.9180 4013131.6950 4064437.4110 6287122.8710 2716823.8630 8489082.8640 5507991.3830 6136674.2090 6026467.5750 4617750.9160 3737955.4690 1354892.0950 1477036.5440 2809056.3330 2282252.4830 2441264.0670 1526937.5460 1738040.2350 1303669.2480 4610433.8590 3814724.1330 7066895.2990 2697757.4800 13166153.5900 7760614.8500 6082235.0670 4227982.0270 8589605.9160 5458188.0700 308974.0106 4367530.7870 3877064.3910 4248713.6250 75619.7742 77646.2910 84951.8942 101050.3116
Carteolol Carteolol 806383.8125 1174257.8510 1253837.1990 1733320.8860 2636868.3280 1518002.2650 1121687.8270 1367547.7190 1453580.8910 1235106.8040 3495347.2850 4837555.5280 6248019.3610 5430423.0970 6183924.0770 5127722.4850 7626040.3660 6181841.5640 9980143.2730 7142898.0020 1488055.8010 1209949.5590 1599721.2700 1267792.4220 2303851.2090 1401457.3240 1724974.4860 1820054.9460 1256376.8280 1441154.9900 2179520.8310 2765296.3040 2163584.5160 2383083.6520 26183.2314 162006.2459 633760.7429 548554.9207
Cedefingol 6354285.9590 2770256.6420 4421286.1520 3964770.7880 3460989.6110 591242.0635 5484579.1420 3722823.9220 5936222.1600 4459203.9820 3809694.2820 1850074.0080 7085376.1480 3181765.1340 4302291.6340 1827832.0530 6619022.1250 2544884.0750 13133210.0200 5488593.5050 5016375.7320 2025450.3280 4464000.6970 2083777.6650 3299265.5560 1296979.4360 3909102.9930 1865241.1470 3611667.2600 1792952.4290 102839.8070 1749878.4150 2052702.3000 1811502.9510 29025.6364 31336.4415 35495.9778 31438.9949
Cholest-4-en-3-one Cholestenone 20548234.8400 14220224.7400 24127971.0500 22185381.7700 24972036.4600 12663766.6900 21961202.9200 17473105.5300 19153294.2000 17757829.1600 15558927.1600 11462973.2600 18195933.8100 14644321.2500 19697335.9300 15061399.9500 29140610.9800 18849969.6600 23145857.9200 14184960.6800 22146530.4200 13555281.5300 18749553.1700 12764175.0500 12376466.7800 8321110.4280 22887180.3500 18091990.5200 11147908.7800 7792944.0210 14892548.3100 14022394.0100 14522062.3000 14632894.9900 52508.6300 75064.3756 58555.9219 55188.2099
CI-976 27251689.0700 19023480.8200 23426654.3300 23152070.0700 24348123.3200 8327289.1470 31620043.9700 25475430.3600 24680097.6400 21542156.6300 25263503.1400 17447565.8400 23767996.3400 15151214.7800 14606590.0900 9120367.4750 34563295.6600 20419498.5800 34995844.5300 20563024.1200 8860747.3980 5450904.8090 15124097.1200 8822937.2660 12696190.4100 7210373.8250 20946896.0500 13375122.6700 17882002.9200 8947476.9540 20584560.6800 20721745.6300 20102022.4100 20665637.8500 20856.6952 20382.9949 19257.2183 19601.3917
cis-2-Carboxycyclohexyl-acetic acid cis-2-Carboxycyclohexyl-acetic acid 6219035.7990 3710524.1810 8419980.1650 7648740.6360 7144773.3620 2203496.5880 5151311.2830 4423697.4360 5275999.1250 4366215.2140 5156859.6710 2957708.0440 6269901.5230 4421278.6660 9888820.7000 6015404.2250 11042492.4100 6412028.1920 6733050.8010 3367305.6300 4405910.8240 2475719.9800 3351012.7070 1786145.9460 2856028.4440 1468316.0350 5196022.0540 3166625.3250 3324883.9750 1621388.6440 6265414.6480 5542388.4980 4943670.9940 6056073.6900 94997.1378 29599.8776 27094.4002 26798.3245
Citroflex A-4 3751644.6700 2046275.4180 3821422.5050 2875328.9010 4440518.4390 2715695.8560 4588607.4160 2449186.0680 3223949.5490 3508254.2480 3664059.8670 3237247.2340 4908547.4580 3576813.3870 5784193.2560 3835075.5180 5273765.5620 3287716.5140 5794992.8580 3243853.9660 1536184.3170 950927.6857 3900033.2480 2498039.1790 4489252.6150 2614130.5620 3853598.6120 3286049.9730 5289197.6830 2974849.7310 1462863.5550 1216115.7080 694533.4414 1450517.7760 27829.3278 245651.9877 283870.7749 29295.7376
clomazone 126140.2791 90751.4226 12612914.4300 15226964.7400 134992.9920 74895.7317 467111.9497 574989.7719 57763426.7500 47243769.1800 145195.8341 95416.9359 122786.1452 88640.2168 306209.6508 246975.2160 6565124.8270 4979019.9980 2738801.0900 2161472.3380 160193.5826 117490.2269 122761.6325 86919.3212 175418.6434 123160.4597 182757.8056 126323.9424 153421.3379 98152.2225 1741614.5060 1123497.8160 940979.4545 1063530.5440 394756.2851 275990.4293 214933.3779 163236.8585
Codonopsine Codonopsine 604645.4170 243330.3914 216817.7422 402879.9079 629581.6814 124376.4191 576053.0559 821132.3854 435308.5152 456174.6336 431091.7805 359049.1712 345060.5306 273748.7486 423127.1490 390871.8547 410070.7943 259231.9839 505189.1171 43373.9405 2073651.2860 1142707.0360 523640.0728 33096.0773 798777.2054 442298.8233 3270826.5030 2065004.0450 491533.3474 268154.0871 413625.6512 701469.7382 613284.4992 674173.9032 107968.8032 116095.7930 97572.1996 97113.9948
Creatine Creatine 913320696.9000 591900046.4000 1904397036 1445631246 1234484625 446413440.9000 1603217757 1164563600 1661054279 1466306173 1543188180 999852242.8000 820367245.3000 500806479.7000 3749749102 2127659907 3501507781 1937002452 1031253009 562191539.4000 818262615.6000 440371964.9000 830122326.1000 427663138 2148210495 1027813849 829341819.7000 535638073.8000 1363727906 631932775.5000 1479274.3500 1775206035 1332660361 1644250484 383379.3868 446355.7758 460520.4352 238549.0514
Creatinine Creatinine 7196120817 4947600854 4263483759 4948877162 7772952019 3469226703 6925285174 5772090553 7115023282 6332041643 7448996171 5569746558 5890419536 4095517092 7157766108 4686377887 5588688404 3733008952 6592547566 4447420606 10498691013 7196879317 8592782804 5202928332 8265766164 5263961341 7423171316 5414979641 6354568367 3653405913 8585626939 7616566556 7815027660 8299339410 351475.7560 109544.8422 720360.5540 3955444.8590
Crotanecine Crotanecine 26338497.4000 17266963.8700 41327118.5900 35749302.9700 42723748.6400 12661942.4700 30011841.6100 23403164.1400 27335420.1300 26214434.9700 58553934.3900 38760209.2500 65735701.8500 42031068.1800 70406480.7500 46524340.0400 83314960.7000 47441688.1600 94908119.5500 48071810.9800 25177261.5500 14843375.5500 28887418.2700 15665426.5000 33851367.6000 18621886.1500 34933447.9700 21006241.4700 31074910.1500 14344302.0200 49400248.8700 43170578.5200 45570318.1000 47409735.1800 65669.4854 59889.8438 54872.1791 100312.7410
CY9070000 5271939.9120 4463915.9000 8225188.9150 7921058.3550 6344646.8140 2954163.7810 7126545.7010 6519904.5710 9699909.3380 9763976.1170 5131096.1900 3978858.6520 5447247.9230 4128569.4610 4494065.0630 3640533.8020 4641902.2040 3253895.6950 5381193.4770 3386524.3360 16085158.1100 10294969.1100 15986460.6900 8789540.0780 18853737.1800 13869614.3100 31036681.3500 21071580.5700 12971325.2800 9442075.2070 283123.5845 9756523.3640 8631326.6480 9482720.5260 81597.3653 95193.9854 86264.7017 88569.2899
Cyclohexylamine Cyclohexylamine 17807840.5900 12459456.2900 22319893.1400 19156590.2000 35440326.6400 9375145.7010 22859100.0200 17005516.7900 21251131.7800 18525015.3100 18821844.7900 11263137.9200 17153282.7900 11776759.1300 23329982.4100 14945404.3400 25984746.8100 15009289.1300 23024750.4200 12238631.5500 16212809.2800 9746137.5700 13747140.7600 7138344.6290 14620109.4500 7690051.3550 17488665.1400 12345378.4000 14531149.0400 8717455.3370 1191364.9970 21024874.0100 18055067.6900 20212597.0600 963567.0130 54762.7712 46470.8023 44034.1480
Cyclopamine Cyclopamine 120951.1662 109117.0049 10965245.7200 1407699.6300 149559.0295 115802.7648 225638.5417 138825.0908 2910072.0960 10171084.6900 161078.9363 2379293.7490 121726.2173 129235.0496 459187.9319 5809316.6750 1412383.7110 25003240.2400 4447927.4800 80330513.2500 261209.2057 209321.2310 136469.7359 443445.7640 319212.0923 631987.7685 194821.5175 108226.8649 164586.7011 197484.5151 999822.3762 370758.6846 417384.8885 386379.8674 246763.7520 177746.7835 160176.5087 137150.7672
Cyprodenate 439702091.6000 289015934.7000 538606485.7000 535149822.1000 327701156.8000 155807559.5000 367010924.8000 333079157.5000 841345584.6000 758973677.5000 216871196.3000 159048877.3000 196969785.9000 147168346.7000 122020519.4000 86177641.8400 77552415.4800 60451203.5500 104268065.5000 60319292.9700 366004745.3000 240474486.4000 394319061.9000 269829260 804361662 495502672.9000 498776753.8000 384759891.3000 579690678.9000 375100853.4000 406432047.8000 404515788.8000 353426269.5000 409240567.6000 14040732.6000 10644748.5200 9391170.9100 11934041.4100
Cytidine Cytidine 942199326.3000 741302447.8000 1125876414 1019915096 1061051595 464577310.4000 1242624571 1074450635 1099061820 973996309.3000 1230015345 920334537.6000 836777979.5000 614448910.3000 837495365.9000 528825432.6000 946965549.2000 632175876.5000 1074083128 589952248.5000 847441971.8000 577143799.1000 926390329.5000 592153545.6000 953002213.9000 546658198.4000 1025672707 656556881.5000 877007878.3000 529812899.7000 1173909791 1002784560 1049096881 1130296083 275632.4429 264217.6956 259106.7871 420000.1218
Cytosine Cytosine 821828294.6000 547295377.6000 787039887.2000 871109121.2000 961960115.6000 435498181.5000 973843172.4000 836829809.4000 662096006.2000 718091513.6000 870871667.5000 609575308.9000 931893862.9000 640602085.6000 1180107158 786365955.1000 991395326.9000 623213535.2000 953932809.7000 615737014 802826714.7000 523021064.3000 894559987.4000 582909639.5000 727132801.1000 485598703.7000 880264376 679760696.2000 666736712.7000 409399018.8000 646616.7417 873219889 847578640.9000 867594632.3000 87525.7975 44080.9751 109369.3499 108120.0517
dacisteine 4677005.5770 2805014.8430 22856784.0300 19174108.1600 9443066.2860 1863808.8870 8328132.2600 6683657.8270 8533616.9440 7668916.5980 2605640.3380 1326827.4610 4455937.4870 2571981.1080 9785744.1380 5110783.1280 5150303.0130 2718619.2000 16414621.5800 7171247.3120 7653713.5000 4114321.8570 4806795.2310 2351804.4080 5796159.9070 2545090.1560 6591793.0140 3541632.2850 4452551.5830 2014654.5830 8960945.1450 7685178.9260 7262790.5920 8682819.0630 136571.9028 139060.9287 134983.7940 139340.4898
D-Alanyl-D-alanine D-Alanyl-D-Alanine 3601699.5800 2045581.1290 3507905.2670 3319331.5470 3910548.3020 1526770.9270 4090352.9560 3088406.8590 4040776.0780 3543321.3550 3730530.2360 2264750.6580 4775588.0550 2875375.0850 4228983.6730 2263420.7000 4568764.5450 2171344.3060 5471117.3510 2808027.7960 3108128.7870 1824455.8760 4043404.5730 2275578 7389661.4000 3681779.9140 3396203.6450 2253424.5780 4216306.2860 2279908.1930 4167867.2320 4102876.1290 3673393.8420 4200003.0970 28655.0521 23604.7950 22818.5894 23051.3559
Deanol Dimethylethanolamine 26814811.0400 14121678.6200 50938330.9900 42225754 67083510.1100 17036565.0300 50492558.3000 37324533 43296402.3200 37195343.2800 103981692.4000 65770680.0800 51673109.6400 31217297.0500 84082146.1500 48731860.0400 74450780.5100 39309568.4400 53735836.8100 25593379.6100 468225031.6000 299563258.2000 319469970 187959742 452423556.4000 210511476.9000 271984092.9000 187181293.2000 352829364.7000 219074514.4000 288388880.7000 254326705.9000 234971631.9000 279840108 429879.1945 217804.4673 235308.9748 119853.2541
D-(+)-Glucose Glucose 3189861.2690 1922181.3530 5590424.9410 4047851.5010 8518889.5050 1652498.8000 3946235.1250 2894294.9020 4190611.4760 2615637.2690 2401445.2390 1981525.1420 2840746.5950 1552215.3570 5170684.2090 2950857.0530 3538118.2280 1605608.7530 2801179.4700 1238104.8140 5784849.8130 2558681.2310 3257455.4630 1466706.6970 10835650.0100 3184685.8930 5689395.4020 3068221.2240 6506911.6230 3555452.2460 1691694.2330 5010567.8660 4187996.9240 4802046.1020 30496.6469 26220.8179 23931.2732 22978.8891
Diethanolamine Diethanolamine 59094507.9800 34671941.4600 60889141.6100 57486490.9600 74357248.3200 21661891.4200 52669582.9900 39071351.3800 77417680.4200 55673513.8400 28846519.8800 15857803.2300 25361118.0900 15139985.7600 25556565.0300 12615877.6000 14059883.1800 7617317.6600 39703751.6800 18017754.2000 64861650.5700 41139429.4600 68920462.8600 33252779.6900 68218747.3300 28651930.6100 30566769.0700 16857789.5800 131533739.7000 57482880.7700 188675124 129549391.2000 120860890.6000 173960540.7000 324226.4637 128702.6448 141464.5547 146667.6839
Diethylamine 19046850.4700 12871837.9900 4424421.6550 8240578.9840 18203066.2200 5937838.9260 9899106.8600 8563910.0080 7071083.0730 6056232.6310 274592622.8000 177716727.1000 9866793.7840 6450932.2400 9863834.3410 5101266.3480 77534178.1700 44807494.7500 9336725.9060 4983031.3880 13534599.7000 8105936.8420 15060446.5100 8587762.4730 10595857.7600 6984336.0510 14663949.6400 9162393.7320 13307609.0700 6437497.1600 1274853.6660 101845457.3000 107254201 102931032.3000 1454329.6500 27844.2678 38259.3207 1452239.8970
diethylcarbamazine 8881464.7400 4948939.0460 12151148.3300 11034488.6100 13289176.0400 3376941.0390 9811176.1880 7175145.4340 11968874.5200 9812437.7160 14756977.1000 8077093.0250 10143463.1700 5748726.9810 17156407.2900 8816092.3610 16419896.1600 8220884.8690 12686706.4300 5930465.5760 11577679.0400 6203007.9390 9111239.3850 4330855.3760 8887264.4540 3979017.6670 15035069.9600 8322513.8950 6558485.9080 3582105.8220 11450768.9300 10178723.5800 9362681.7730 11132885.0600 243942.6353 233254.9492 211810.5362 22428.9789
Dihydrothymine Dihydrothymine 8720936.3190 5699261.5310 5797771.3470 4404662.0640 8781825.3610 2644482.9910 3923931.5050 2984854.9560 5465489.7530 4864050.4540 9357234.1790 5549220.4670 17930420.0400 10772557.5500 18092785.2600 9713099.2670 3958511.3660 2177227.8420 6197412.0600 3013272.3400 6547526.2740 3583613.7260 7424844.7940 3612880.0610 13859771.9600 5899446.0820 6017139.9040 3625854.9990 14611021.3000 6463163.4420 14548446.3200 8863236.5970 8384015.5080 13647785.2300 25585.5166 87132.5547 76271.7198 91711.4419
dimethylformamide 3407724.2090 2095406.1540 7650654.5000 5790887.4910 6156032.7690 1431641.9820 6570205.1470 4820252.9190 3448664.2430 3254415.7850 8916430.6560 4778389.2550 7411384.3980 4101187.6070 5837796.4940 3222309.3580 6309399.5540 3004543.4620 5429380.4800 2839543.2600 4554457.6280 2295501.9290 5088992.7690 2168472.0230 3712825.0860 1493161.0180 6003897.3120 3194906.2220 2862251.0990 1216055.5040 400465.1857 6741484.6170 6463781.5580 6667665.4820 341650.2236 268554.7154 206534.5527 170193.5146
Dipropyleneglycol dibenzoate 3790694.5770 2171573.2580 1878437.6590 1860680.1640 3700635.9210 2119240.0230 2714520.1190 1671056.7130 3367210.6650 2458680.7210 8347811.4170 6202623.2850 1988538.6160 1301887.5130 2691882.8690 1575935.3140 3312011.1110 2015057.2940 4718805.9110 2269770.8490 12626823.5800 9965373.5330 3519384.0200 2219163.6670 4439931.4130 3137839.0160 67070105 45936443.2400 5741065.2160 3730086.3760 761051.8077 10849347.9200 9509681.4490 10546750.9400 224935.3398 106095.9788 126395.9444 142978.1437
Dipropylene glycol dimethyl ether 13224744.8100 8834405.0470 13878398.9400 13106554.2300 16499375.5900 9322933.0820 19695060.8800 15267424.2900 13786639.5300 11761426.8200 13655190.2000 10643837.2500 12225453.5800 9178305.7810 12438443.1600 9063963.2630 12124403.7100 8096944.6550 13841848.9700 8156799.5730 9247450.6270 6945818.6520 13566946.4100 8655407.9450 9287449.2730 5532412.8090 16113315.2300 12083836.1200 10368708.0800 6081068.5440 29979019.0600 29439504.2600 28389621.7400 29890974.5300 575101.0971 377045.3756 498569.2885 555536.6835
Djenkolic Acid 1352113.3460 812458.8700 2947140.7960 2499606.6440 2562714.0100 771243.3266 1463269.0220 1088634.3270 2766944.1760 2649185.0300 7277026.8730 4086422.6390 5518896.4490 3330208.8680 3998843.6980 2065250.7560 6025497.0030 3365384.7500 7682448.3030 5158136.9460 1173601.1720 584520.7927 1674897.7750 694210.8164 3480246.4580 1813679.9810 1319603.3100 698346.2953 1338582.9140 569933.8320 359513.5547 2031365.3130 1947535.3390 2018166.6000 24308.2238 26645.8277 27312.5545 32887.3224
DL-2_6-Diaminopimelic acid 6672814.2040 3944450.5910 10112373.8700 13952226.3200 11168279.2700 3201337.1790 9183278.1590 7928595.0470 9957544.2490 6279754.1140 18946529.8700 8422092.7440 17689773.8100 9916310.1770 22925583.9400 14186928.6200 16291494.2800 10061912.8800 31703486.3500 15742400.2000 5220520.1220 3896150.8870 6996766.2870 3681093.0880 15062467.7500 6861606 8047852.6840 4672578.4500 5920196.0530 3277100.8870 576430.7894 8953106.6250 6011013.5380 7944881.4260 71975.6618 43118.2262 31866.4760 24918.1162
DL-Ala-DL-Phe 8664869.1370 4802981.5860 7437975.4100 6866228.5060 16475032.8300 3656067.6310 11681923.6800 9711269.7490 8249295.0470 7003018.1080 13073581.7500 7001729.1770 17119263.9400 9528773.3370 16219833.5800 6755554.8660 15285892.5100 7970333.2710 22055130.2800 9783651.1190 10415941.2900 5864374.0510 10436459.8700 4861649.8850 11807357.4400 5002029.6980 13702481.1800 7236193.4580 10898633.5500 4326301.9100 1589839.1550 11920457.3900 10805022.5900 11618008.5800 35283.4726 118677.6008 92919.5284 96297.0597
DL-Glutamic acid Glutamic acid 8793327.3990 6762684.0040 5469840.8150 4990151.3040 12979737.3300 6847849.7570 10949531.2100 8118794.4110 5707265.7830 5098987.6500 20926399.0700 16569029.1500 10122883.4200 7819554.8290 9381432.9680 6937561.6390 8008465.6990 6043754.3600 9025582.4330 6272595.9870 9937235.0410 8501493.2430 13053227.9500 9334115.1590 3833640.3680 1948954.5940 5842701.2260 7861508.6980 6354045.7590 3949606.6690 10120278.9800 5136506.8690 5844092.6280 9662177.2790 97200.9610 120766.8660 155034.2880 237487.7020
DL-Glutamine Glutamine 13390620.5500 21440284.7000 43536524.0700 36058142.7500 37883117.4500 13727137.5700 55082708.6700 36899133.5400 37427769.7300 33134424.0400 30030290.1600 18968012.4700 22596704.8500 14235731.1000 28780830.2800 17581729.3500 26960872.6600 15094411.2700 29045446.0100 15756459.6600 31649484.9500 19321955.1900 42963891.4000 24324106.7200 71750507.8800 37730581.3600 42593086.6900 25957684.0200 56906737.6400 26436363.4000 50640506.4800 42650304.1400 39959594.7700 48417571.4800 351853.4546 90965.7418 131699.5512 100781.5485
DL-Homoserine Homoserine 23702228.0300 13768262.7200 39253333.7700 29559807.5600 34000470.4500 11440522.7200 24486221.1500 20095702.3500 33816059.3500 28672867.7500 23326183.1000 14659669.9400 20793589.0300 12841842.1300 20449369.3400 13392683.5000 14052294.5500 8698632.0560 22751416.7700 11567703.4600 18256775.3500 9461280.8590 25040759.0600 13252005.1000 26361641.5900 14078326.9100 19243861.9400 9425627.9300 27855890.0100 11996157.9000 19054268.9700 20453670.0600 18875559.3100 19533122.1000 45368.8246 21686.2501 47728.1112 50978.0019
DL-Metanephrine 5484265.6130 3203853.3930 5833447.3580 5228547.8070 7992300.5420 1757892.4150 1850343.3690 1549403.9340 5519125.5680 5381923.4190 6972124.4370 3755494.3240 850719.1710 180778.4046 8609739.4100 3809891.7050 5800884.8480 2279643.7090 2660565.0680 1172414.4390 2988342.7490 1005288.6830 952726.9909 449172.3881 3088254.1740 1512434.3400 2054058.4140 613244.2247 880810.1886 432971.2041 1264688.6400 4069505.9880 3461862.0830 3863416.1630 113360.5120 84585.6460 47497.4719 35593.4395
DL-Serine Serine 28174139.3700 18936647.0700 39441692.6800 32947506.5500 35657087.8000 12694582.0500 49773645.6200 32939524.3000 34303592.6000 30603576.0300 27773156.6200 17314916.0300 21352284.5700 13135520.9700 26627522.1100 16034382.8600 24774892.6900 13631627.5900 26479947.6200 14398895.9300 27867447.6400 16886957.4400 37147753.5800 21100521.9600 62513028.6300 31988900.3100 37013853.9400 23214781.7500 49469715.1900 22541751.8000 41840774.5900 38398005.7600 35321526.3400 40872565.1200 361178.9742 70480.7844 127413.8680 89673.7690
DL-ß-Leucine Leucine 2433202.7110 1639475.9240 4858961.6720 3526850.2670 4612988.2000 1448358.7030 3000931.9510 2464667.6110 2940082.3070 2437483.7080 8413302.0910 4698134.3060 3432013.1860 3020637.9500 4456772.6450 1657530.2180 4408936.5050 1835238.4430 4183572.7690 2578730.0200 3630262.3150 2076756.1110 3896455.0890 2186294.0150 4546686.4260 1868855.7070 2773982.7040 1782200.9780 3660459.5540 1065960.2460 649983.7595 5630304.9780 4875960.3810 5458753.0850 224644.0284 416226.2824 458777.3468 31747.2103
DL-Tryptophan Tryptophan 48530343.6900 24767404.8000 40330000.8800 38816960.6200 54944227.0100 16404752.1500 36750459.8900 31404408.9900 44819411.0700 42348706.2700 41937127.5500 29428704.0600 28747962.7700 24074113.8500 38949168.5400 16645867.2600 44763796.6100 20521746.5200 37568856.5700 16912681.1700 23475035.9000 19253398.1800 40299846.1100 20223854.3800 42355730.3500 13370846.9900 40371236.4600 19360628.9200 39398557.8900 11392467.3700 40130951.9600 38178530.2600 37139230.7900 39861315.6600 49151.0519 50032.7167 49526.2680 56050.3191
D-lysopine 926437.1918 661806.1067 1592866.8650 1587685.8000 1748863.6550 556204.5456 1192711.9990 885181.0682 1369005.3430 1118049.0680 2801821.3000 1781458.9650 3769366.3320 2372087.5350 3338113.4950 1908127.4800 3561748.3290 2025137.2250 5349782.3930 2867146.1360 1159040.6060 784396.4337 1354647.5720 658364.6781 2110546.3010 1093246.4810 1281489.4080 893685.3120 1130516.2990 528190.4734 573410.5499 1663947.1640 1586396.3610 1643458.1730 36003.5471 30404.4750 27215.7177 24897.8838
D-Lysyl-L-valyl-D-valyl-L-allothreonine 216483.7040 147613.4051 881262.2358 780498.3426 270487.4312 111557.3194 376371.8327 261254.8428 622623.6042 644426.8093 477946.5958 166235.3809 92512.5246 93554.9449 1798273.3860 675720.9315 406707.9304 123461.8351 381009.8698 143920.1844 3958724.1600 1618704.7480 1969572.2220 944767.6311 739175.8606 166369.8215 3917746.0180 2175444.7090 1078385.1700 152464.5974 1187330.7190 1128262.2340 923028.3662 1185092.8870 32060.6268 34026.1589 31050.0625 34080.3877
D-PANTOTHENIC ACID Pantothenic acid 399294915.2000 268849972.6000 328455883.1000 429503126 653323070.8000 279565269.2000 729028949.9000 624004205.9000 394591617 344979789.8000 504556289.6000 325693220.6000 414703017 283691883.1000 367796453.1000 239703777.7000 432096671.5000 271725008.7000 509903185.6000 330010864.2000 494199116 303306373.1000 506913341.8000 322799053.5000 501828720.5000 296502465.7000 539732667.2000 355162214.8000 484438631 270976059.3000 552392858.6000 547712723.5000 536284859 552033110.9000 185920.8398 169004.9255 183765.3701 128225.3118
D-(+)-Proline D-Proline 1125226910 657397114.8000 1023063349 1619255899 1880239092 617678019.4000 1309161117 996643334.3000 1655030163 1455564341 669293672.6000 386057323.7000 960418193.5000 576771615.9000 878562007 478864212.7000 847085524.2000 445498901.5000 1133587325 574467928.9000 1315723979 767113435.9000 1071057206 562446156.9000 1424760480 647324379 1095144413 667865935.6000 1146950723 576332207.1000 2515282.2830 1415046214 1173530853 1345579492 265365.2108 372386.5143 316835.2678 183306.3840
D-Sphingosine Sphingosine 55149331.8000 35665883.9800 53988796.8300 51843649.9400 49008240.9000 17904052.8300 55198566.6800 47260662.3000 103662246.4000 88743794.8300 54071951.7000 32792243.5800 48288001.6300 32548717.3300 76608965.5900 47114594.3300 77079206.3900 48587795.3600 81188185.6900 47059384.4500 44722687.2000 27808734.5900 41593541.1900 24674742.4500 69013739.3600 37052900.2200 57217725.3700 39078896.0400 50484758.4500 27929523.5200 423366.6217 42476410.4800 38253644.1200 41541618.8300 158534.9393 213730.1625 89825.5992 120012.6257
EDDA 3271117.3630 2696937.8560 4611424.1970 5440664.9680 3002334.0400 2170001.8970 3155344.8380 3063744.9630 3406012.6850 3103469.6840 5518267.6860 4351027.9080 7357675.1960 6873366.1230 6741343.8930 5165457.4480 8637687.3780 4812585.5990 12063563.5200 6025190.4600 2815092.0480 2449734.5170 3670402.4480 2448544.8650 6849629.5030 2721478.0460 3822073.1410 2641166.8850 4862566.3770 1602557.3240 224456.2224 4460797.6260 4261207.9230 4413765.1780 40801.3100 37200.3582 34726.0903 34092.3414
Edoxudine 11764732.1800 8169722.4930 26305953.8900 18462433.1100 18612396.8800 7242037.4480 13070727.5800 10619206.8100 16181589.6200 14700347.9700 17099433.7100 12089678.1000 5299255.9270 3881948.5520 4049256.0330 2595891.1670 10511183.3900 5053511.9430 18513984.1200 10048001.1200 11252230.4300 6539050.8650 13760998.2200 6325211.2010 3302800.6800 1738757.0750 28018356.3500 19170332.6800 7023905.1270 3096445.0310 10756288.7800 9469037.5540 10366000.4200 10434204.9700 23867.3286 25260.6724 26088.8795 32870.2072
(E_E)-2_4-Dodecadienal 74028597.9000 73102291.6500 151297930.4000 133875910.9000 97473485.4700 41173337.9900 109400690 89763503.4500 227643694.1000 206489899.6000 36219537.6600 28878873.4700 55038137.2300 29198363.0900 42813644.1900 29264232.6100 21131447.4600 16404329.8700 34752258.5300 19649680.0800 84428189.3400 57566756.5300 94588777.5200 63907190.9500 212253385.1000 134225456.1000 132312905.7000 104605308.9000 155907217.2000 88159786.9600 112426788.4000 98340775.5900 104258844.2000 108246663.3000 294303.3288 278855.8299 240632.9334 262772.9101
EJ4025000 23315336.7700 14152675.6900 15206430.2900 13713448.2700 22889837.3100 6706093.5830 27762227.5600 20743712.3600 22361620.7800 17819359.6600 35436313.7800 21235465.9100 18372616.7600 11651010.9100 25707008.8800 14218952 24559336.2500 10162505.1000 27482812.2700 13067221.9100 25474126.3500 13189608.5400 27364495.9700 14123833.6100 16983519.3200 7327111.0250 22813785.6000 12958002.7800 13719741.9400 6013372.6870 23100723.5800 18104476.5800 20241122.6400 21977444.9900 24892.6515 27117.1833 27686.3224 30738.2320
Elaeokanine C Elaeokanine C 26581815.4400 13163979.5400 25285160.4900 28473641.1900 14279348.3400 5148511.4910 13754675.5800 11438414.0300 77616826.7900 84469638.7200 5453215.4160 5048640.4870 2481551.9160 3715783.8460 2063613.2370 64386.4246 1701136.9030 180652.2299 3994664.0440 218746.9503 12784707.9700 11309159.3000 14679431.4800 16626536.4800 30776141.5500 23008364.9700 34289824.4300 28028526.9900 25290051.3800 24599112.8200 15384398.9000 14860324.9200 11482696.0600 14997329.8900 110670.6110 96305.4722 93437.4682 86926.6120
EPK 2601385.3820 1542887.5420 3978989.7450 2736418.8080 3469990.2990 1115935.2980 3825507.6800 2771423.7810 3570504.1310 2993064.9280 1558230.3630 1037764.4640 2401556.0860 1418763.7400 2548327.8780 1305623.0870 1913617.5890 1070510.0210 2372381.0900 1185530.0230 2327940.0740 1301115.5330 3298850.1680 1687826.6960 5105439.2040 2412651.0470 3398933.2350 2081658.1240 3722476.0610 1636676.2680 3879956.6510 2523977.7220 2565775.5750 3608811.7870 25038.2476 20934.9196 20648.0866 22473.5864
epsilon-Caprolactone 18061870.6500 14306403.9300 20811746.2200 24476452.2000 21677559.1700 11214321.1400 26521341.5800 18797629.2300 22510198.5700 20860908.1900 19876230.9800 13648039.2000 18366564.2300 14606823.4300 22004869.7700 16762508.6700 21625132.8500 14403996.8900 22716979.0400 13945679.2000 98620199.4700 64025940.5900 19581259.8600 14032182.0100 23360114.5000 14816729.2100 20604652.9000 14829821.3700 19789828.1800 14338288.1600 27819692.1200 39327293.3900 39830048.9200 31928939.8400 25889082.3400 10840055.7300 9994893.5750 18334623.4300
Ethoxyquin Ethoxyquin 5356940.8160 2266404.9890 4362516.9450 3405371.9650 6546105.3860 341898.1346 5600365.9050 3921754.1660 4280635.0440 3864890.2640 314191.8276 324567.7636 341441.6165 257068.6843 357367.7988 194766.1491 317001.9225 363622.4436 172706.9574 369829.8005 4341706.3390 1341776.9290 5451736.2740 1321187.7280 2264289.5400 511112.8792 5875146.8010 1727027.5260 4242055.9520 795203.3702 5668899.6710 6231304.6740 6129341.5020 5827188.5220 409114.6637 345989.7538 402114.0061 324419.0338
exalamide 248179.3256 164512.7048 499127.7725 248570.0458 351239.5106 159557.7275 5104737.3790 3973553.0720 295986.5339 307079.3095 764782.8943 442699.8217 232748.7714 155791.2750 323864.9010 163041.4659 530517.1781 344143.0469 410673.4765 150033.0935 596802.2556 387365.8908 538927.2287 420522.8108 387926.5210 270567.3725 842265.1295 530635.1335 685597.5302 484592.6996 545293.9544 1189252.9550 998280.8786 1137753.2180 120074.5131 87279.5441 86986.2828 58035.8749
Fasoracetam Fasoracetam 1365663.6690 3733412.7560 2666842.8190 1978894.1570 194775.8512 79712.4946 1280666.1540 2408818.4300 2097231.8460 2556697.8400 931995.1913 2269665.3300 721638.6430 2457254.1450 2801884.6840 11057066.7800 2410114.6620 5166462.5130 3020195.0870 6892715.6370 2059856.3600 7112531.4470 1256436.2110 5073274.9880 4115861.7870 8988378.6450 2005916.4220 7265769.9310 1823625.7110 5600396.4070 3313195.6390 2170578.2220 2495131.5560 2298012.7660 4103509.8720 1334671.0730 848483.9976 756460.8968
Fenfuram 3826870.4150 2477541.3220 12303634.7000 13212523.7100 103438.3111 574548.8799 207268.6467 68588.1150 195960.5031 318576.8594 18580126.9800 12954534.6000 1338016.8930 1053963.9830 349943.6059 182691.0454 102545.3445 31579.8744 3408160.1750 2287182.3190 1415509.8730 1338604.5220 4058771.4340 2205625.1620 7219228.6900 3780568.7770 5023440.3780 3014663.9240 4675081.8100 3057117.8740 294145.0397 4291333.4360 3389152.2200 4040565.7900 57247.4355 62286.4459 63626.8209 63257.5360
Formiminoglutamic Acid Formiminoglutamic acid 5592376.5160 3656990.5390 7615528.7680 8203915.4680 6950936.4480 2832856.2870 9737801.4890 6458599.6510 9680553.7350 8037261.5950 8269086.8480 4763199.5520 6131802.7730 3550385.2590 9576499.3530 4846853.6400 8544727.7080 4441702.4490 8976856.0130 3842265.6740 11712729.4800 7153563.0040 5980094.4560 2819563.5630 8560875.5780 3954625.4290 6529099.1200 3789873.7850 5221365.4450 2092717.3490 541004.3488 7470813.2980 6255711.7280 7129482.6590 74310.2584 55147.4711 46486.9608 43179.6280
g-Aminobutyryl-lysine 511081.9684 276620.5791 1793289.2880 1277294.8790 976200.8466 232013.4725 972421.5286 492792.0761 1345587.7790 1031906.6290 2330319.7630 1260774.2700 3171003.1550 1852237.8970 2834883.1800 1260552.6740 3837115.0470 1419892.6370 6254497.6810 3146245.3080 379195.9059 337910.9155 712552.9202 333207.8898 2649104.1360 1077213.9580 961813.9417 441859.4517 767331.8737 331606.1658 33167.6076 1296717.4240 1161724.9430 1259005.9410 30027.5610 26341.3991 30289.1689 19582.3151
g-Butyrobetaine 6508683.7170 4215350.7110 4482789.2840 1195566.2910 597044.3849 1772715.0570 1415733.4850 993250.3102 967679.2473 1408668.8130 8507192.9630 5630522.5730 16105315.8000 12030279.8900 11461417.1100 9160786.2830 18264624.6000 11170303.3300 14182818.2400 8313056.6840 62083329.2700 45651840.4500 59138895.0200 39213700.9000 84780875.5700 53814481.6800 39885756.0100 31677597.1200 68954905.2100 42704676.8500 2788598.2400 26206070.4400 24359372.6600 25752709.4200 2336626.0390 38461.3800 1527233.0040 33850.0070
g-Guanidinobutyrate 10983751.6500 7361961.3700 9086959.9200 6905659.4660 11567158.7400 5170314.2560 12387497.5300 9938283.7650 8762810.6680 8013816.4280 6882131.8040 4542054.1620 6646473.1000 4722686.6420 9277445.7690 5394289.7890 14951592.0500 10091183.9000 7118968.6380 4403972.8690 14988946.7100 11317405.7500 19281872.5300 12399801.0500 70918892.5700 39085964.5900 21702559.1600 15861234.4800 25393798.1500 12958456.9300 18065554.9400 17874764.8200 15493127.7500 18038011.2000 240340.6510 30627.9477 27627.7591 96299.9642
Ginkgotoxin Ginkgotoxin 1932829.8440 1276808.4310 1333415.4570 1961271.1180 3129890.2270 1335400.5880 3306359.7390 2959838.0870 1785132.3710 1653348.0320 2260411.5770 1498396.3000 1836565.9020 1263270.9630 1677249.4100 1413765.1490 2023715.4550 1079486.9290 2554214.6410 1635273.8430 2371855.1400 1513547.0980 2471488.9750 1398880.3180 2351425.1830 1451947.6150 2568500.3940 1764145.9250 2354425.1000 1400425.1340 522443.7129 2517362.5510 2435674.0210 2498206.6360 67931.1664 36101.7037 33920.2975 60184.6638
Glycocyamine Guanidoacetic acid 37635367.1300 27385855.3400 42786477.9400 31912522.1800 51962518.7900 19903824.0900 42546544.2000 33925365.3000 31067987.5100 28434945.8300 43810915.6100 27696255.4200 40172038.8000 26416623.7400 28725100.6000 17354129.4500 25940022.2700 15316470.1600 34157008.7600 17392116.9800 31507678.7000 18586072.8700 46671996.7000 26585377.9700 68976986.8500 34358652.2700 36456227.4300 23420444.5100 61501913.4700 23019268.5500 53689141.1900 44057813.1500 40819022.8300 51684098.6100 72154.8727 48636.2308 44628.1661 109155.4521
Glycyl-L-leucine Gly-Leu 7988792.1930 4220737.1170 8393528.5030 8215336.6920 17266200.4300 6070274.5190 10719478.6000 8804199.1630 11171660.6200 9180650.8160 14105909.0100 8128335.2190 16067603.0500 9858432.6160 15898985.5000 8977280.3290 14051720.4900 8175185.6550 19400022.7300 11056062.2100 10161515.2300 6183430.8320 14696648.4400 8406691.2810 16669109.1100 9059517.7320 12407445.4300 7718673.3710 12190454.7700 6432826.9500 166590.4385 12274514.4600 10858578.5300 11938713.1600 27154.8813 34691.9629 38792.9496 25093.4909
Gly-Leu Gly-Leu 26261504.0700 17279405.0400 39649626.7200 34890217.1900 42886385.2500 12678282.2900 29326232.4500 22874121.8400 26662906.9900 25659404.4500 58750462.0100 38919297.8600 66222307.5900 42367666.2000 69189309.5700 45619274.1200 82596253 47052732.6900 94528014.9600 47901791.8800 24881464.2800 14744823.6300 28633354.2600 15699434.6100 32983470.4000 18338024.8600 34578337.8200 20582757.6200 30904013.6700 14257832.1700 42739401.4100 35886670.9900 37690903.7700 40668742.0400 53556.2152 25830.3930 77776.4933 24839.6524
Guanidinoethyl sulfonate Taurocyamine 2700261.8340 1992704.8700 2624950.3970 1485524.3490 2496392.8010 1310817.1490 1933628.8070 1578014.7820 2707332.9410 2451907.8690 1404845.8650 1197708.5390 2414255.0210 1898744.8800 1876057.1540 1489996.5510 1068011.2940 707546.3651 1912538.6940 1368732.6220 2345278.1830 1732269.9060 2966287.3810 1973053.0250 4663574.1840 3120501.2640 3485951.3090 2794967.5910 4121826.4060 2525171.6400 163944.9887 2418999.0960 2729831.9130 2493631.7750 27131.0494 23442.1054 21499.2425 21093.0370
Guanine Guanine 9198350.6610 6629073.1280 8795121.2360 8947552.2100 15810864.1200 7564158.5470 14431000.2700 12627534.1200 17615081.6600 15178939.2200 8044951.2400 5782483.2050 12105273.6900 9067380.0670 7387903.0040 5422695.1350 11210020.0900 7234292.0560 12350311.0100 8242199.3280 10282506.6700 6672358.4500 7730000.2150 5192921.2610 7486056.4220 4440605.4860 12185282.9400 8560878.5660 8198045.8560 5404228.5200 11698810.1500 11023529.8500 10053657.7000 11599520.5100 32494.5273 30542.6927 44360.3631 55592.8579
Guanosine Guanosine 156046085.3000 113906636.2000 166002491.8000 164835466.3000 257224688.6000 88630576.4600 160615489.8000 132798950.5000 181989544.7000 160707728.4000 124433509.9000 81477584.9600 160140780.4000 106708326.5000 134228826.4000 85832175.9200 167675303.9000 107506396.5000 179653272.4000 110834598.4000 170314272.2000 112623753.1000 154059577.2000 117781233.7000 202437792.5000 112915455.4000 206473796.3000 134197951.8000 194564274.3000 116704675.7000 185614397 185802292.6000 178275073.2000 186563367.3000 115346.3741 117451.5749 113588.3705 128429.0665
hexahydro-2-oxo-1h-thieno(3_4-d)imidazole-4-pentanoic acid 37417942.4800 72276290.0500 32447376.8200 50903303.2800 291252.8398 194105.8144 34235673.4000 53591372.2800 42993500.7400 52494616.6800 22319304.8600 47357768.3800 29286356.7800 56419214 72277569.4400 180119930.6000 39111696.8400 89288227.4600 53606549.4700 123785512.2000 49617471.4800 126711868.1000 42059536.0400 67417561.4900 53261532.4900 165311477.9000 49857073.3600 120131811.4000 37923307.5900 110998545.3000 443651.6232 54329571.5000 48618015.9900 52536535.7800 60379.8956 43877.9312 38049.1807 31077.2660
Hexamethylenetetramine 1511882.2930 901820.4099 561249.0862 5282649.3850 2344021.1590 1015179.8370 4003673.7360 3455029.6960 4556040.9370 3623419.0650 5348498.7060 3315707.0760 2094472.7550 1226136.9580 1963027.0060 1152688.4810 19660415.8800 12397779.3500 4904308.7360 2695053.0470 4193296.5660 2581804.3390 556938.5375 566171.7108 750055.0770 394323.5039 4137069.1930 2760043.0670 2129449.3820 1220438.5070 1215846.2910 6840660.7090 5951230.6700 6616677.0240 55157.1493 39011.2173 34678.4224 33858.1280
Hexylamine Hexylamine 65101540.3900 37646541.9000 40680730.5600 37711967.3100 122895262.4000 41210156.1200 44116833.7300 32710097.0100 36677149.0200 26937087.4600 81430884.3800 47029052.0300 67668017.2400 39460703.5900 36963761.2000 20000736.1800 49232846.8600 26987821.3900 27947957.8300 14493835.7900 53862542.3000 31821170.6800 58365176.8700 29628579.4900 38339118.2500 18263715.8300 67681259.2200 40099998.4400 50716920.9000 23022633.5300 105137943.5000 94513117.3400 90624324.9300 106300064.3000 222952.4729 21538.3934 371134.3734 442309.6844
Hexylbenzene 19951783.4900 23671178.1700 44283538.2600 44096504.2900 27605256.3200 14698322.6200 33895749.6900 27184007.1800 68563018.9100 64135487.0100 11893860.5600 8333468.3890 13212078.3900 6762315.0880 11166341.6000 8564169.6440 6715850.4350 4768662.0040 10663245.7900 7001493.0580 24704033.8900 17203217.9600 28204426.8700 20669512.7000 62711804.0100 40966800.3000 37156521.7500 30781314.2000 49094670.1800 32753367.8500 33410873.9000 32466919.8700 30241762.7300 33329964.6000 74686.3517 71508.2488 69295.4259 73624.2486
Hippuric acid Hippuric acid 28221169.8100 19074945.5700 92567917.4100 90969815.1300 11547370.9300 4617268.9270 61534587.0100 51822187.0300 118792618.3000 103842897.7000 73351525.2500 48494240.4100 27609901.8400 19065941.7900 11597330.9900 7097746.1590 141558255.2000 85283406.7800 23228146.5100 14117315.2700 21919091.7300 13150448.9100 13261050.0600 7392044.1110 15271235.9300 7983324.0110 15548507.2800 10194500.2100 9251852.1980 4512572.0870 44893518.5000 37602829.7300 33581801.4900 42917688.1800 77572.7758 71346.0193 75112.8732 71157.8620
His-pro His-Pro 7718450.9640 4228410.2930 8710558.7910 16333101.1600 12596797.1800 3539606.0110 14443332.9100 10291270.1400 17344069.9700 14083925.8400 10490291.8600 5574766.1660 5498498.1500 2970686.7040 18484491.0500 10069915.4200 10733909.5300 5531526.8610 10226012.5600 4811985.5230 53280500.2800 27449166.0800 23483164.9100 11435699.3700 17722141.0400 8210289.7630 36581759.6000 20096143.8900 16468375.9800 7452826.5980 30576784.8500 22008298.5400 20196516.4400 28052192.6600 743430.4590 155969.5496 304152.5978 132585.9606
Histamine Histamine 144564505.4000 62156258.8300 127910011 112233394.8000 82924578.1700 28020645.9400 65378053.7200 61044843.7600 51225911.7700 87659826.8700 73371004.0500 39814129.0500 75671371.0100 38529200.4000 35472027.6600 38393450.8800 90884904.1300 35875625.3800 66032284.7200 32203000 113853058.1000 33649736.3600 221551456 115708155.1000 127266007 47424216.2700 115109042.9000 104388549.7000 301360976 110254652.5000 127357454.7000 137812736.6000 104601610.7000 134708829.3000 42120.3941 40249.7385 41924.2136 75875.7085
histidinol L-Histidinol 168152.2577 150971.5031 219518.8388 239647.0767 181685.0681 115319.3076 154857.8130 145945.6847 248759.9696 252310.2810 8365487.4290 5747013.6000 158436.5633 135272.0867 143025.7628 124291.8910 2294175.5530 1928486.9680 162096.0851 143108.3713 368568.7934 288598.7583 166342.0007 133430.0176 183058.4678 153187.7821 168789.7497 170440.1407 164733.6890 145713.7558 326836.4942 886670.4949 848684.4101 878791.1180 63992.0966 86747.7044 88988.3427 110832.3525
Homo-L-arginine Homoarginine 34729679.9100 24615577.3700 70302149.3100 49554093.9500 56203670.2600 14725397.2400 39156186.9900 28814875.2300 45883667.7200 41128189.4200 123433171.7000 78800380.5300 106369699.3000 67745022.4800 119617924 59167599.2600 139870730.7000 72960844.7700 145919433.1000 90468805.5000 45246826.9600 28323110.6800 48392305.4300 26122714.2600 58470842.2300 32726901.9900 51149225.8800 27738038.9800 39359982.1600 17477951.3400 86568520.1900 63663590.1300 66534731.8300 79930578.9100 32327.6002 32195.3505 30332.3719 28627.4817
homomethionine Homomethionine 4888776.1710 4337820.5610 7424722.7350 9824344.7330 14519405.5200 6508877.2400 9085285.7590 9947243.6050 6335928.8280 5687002.6260 30159169.5400 24156008.7200 17525866.0700 14875198.0600 21674543 15259190.2000 21207746.7700 17448586.5200 18817325.0800 15354629.8500 4431219.0600 4066439.5620 7306254.5440 5311784.3620 3979412.1590 2808218.7460 8294714.9350 7111224.6310 3430113.9010 2772642.1210 66621787.3500 50353155.5800 44843568.2600 62179884.9300 35942.9798 93701.7706 90578.7317 142046.8835
Hopantenic acid 5121240.3880 2649019.7970 8506774.3120 7482151.9000 7542495.9720 2803380.2650 8329511.1980 6716539.7090 8260742.9290 6229227.8340 10055646.0100 5271056.1100 5127939.6480 3403777.3870 7220998.1240 5048751.1120 7536688.0670 4047357.8480 9703255.2740 3989448.5530 9072154.8530 5636750.2410 7021575.3170 4035952.0410 8660848.9770 5857694.4160 9816324.4570 6370439.7890 6817931.8850 3474446.4220 727088.0702 7239210.7780 7591426.0090 7325155.4390 246579.7262 767592.4893 179692.6960 196000.8731
Hypotaurine Hypotaurine 9249200.0200 5672358.3520 22602458.2400 17124602.2800 21613739.0600 8045608.3260 12818932.6100 9728754.8460 25811709.8100 21132098.1000 9984940.1820 5684521.0230 11403470.1500 7248740.3540 8333741.2510 4889682.0710 11916783.8800 6330959.1540 9500297.6570 4653094.7740 6148438.2580 3666652.0480 10119770.4800 5087342.2860 11805697.6400 5330855.8770 10415857.4300 5238136.6530 10652247.5000 4688557.8870 8042073.3960 6523715.9590 6341770.6030 8460207.6090 20913.3613 20829.0985 24701.8586 44300.7161
Hypoxanthine Hypoxanthine 1202314875 877235631.4000 1565409241 1585938256 2004194963 934760006.8000 1526013904 1305375003 1635925948 1468938765 1461165370 997860324 1171328367 851118945.3000 918612041.8000 595329478 1232692731 674449301.1000 1559551779 1000432842 1402216262 963942463.1000 1167972929 881168284.4000 1434282904 885416684.6000 1523400709 1085188825 1524125229 842157368.3000 19548940.2700 1580533926 1349604176 1528726951 74787.1951 69876.0510 167401.3468 166658.4925
ile-his Ile-His 2431008.9770 1337065.8110 2001002.0120 1426668.9930 6131841.1190 1534703.5080 2681070.3600 1827010.7420 2261933.6050 2150898.0320 4806465.1660 2346081.4670 6074960.1250 3177712.6060 4100476.8290 1997960.8600 4465945.6810 1743264.9800 6305300.7640 2784565.0750 2663712.6260 1192273.9120 5800694.3730 2237143.3490 4710656.5430 2037603.1200 3067237.7140 1311995.1830 4030978.1700 1452611.8630 170759.8979 1705385.1430 1613248.6740 1699081.7980 22568.0418 22537.7009 26004.8238 38800.7943
ile-phe Ile-Phe 1013810.4520 963557.6719 2524420.0070 2529496.6050 1909516.5200 964244.8007 1383780.9910 1345152.2840 2036706.7430 1826009.1880 5413669.3310 3907974.1280 5029852.8890 4142234.1220 6302234.9380 4636272.2960 7517083.0330 4856754.5090 10169624.2800 6292798.7270 1627104.0810 1311929.2850 1429496.8770 1237463.2990 2887222.6010 2250889.7750 1913048.4170 1696910.6850 1618443.1450 1073785.4680 1701924.0720 3250312.4260 2636280.7640 2359331.4050 233551.1925 207406.2609 155853.3216 136820.9167
Imagabalin 3398833.3920 2072836.1520 5420840.0750 6092864.9930 4628737.8800 1428625.8550 8025929.0320 5888140.4410 5863435.2180 5565536.5990 5223457.1870 3698949.7450 3588886.4920 2520436.5230 1635913.8020 1029566.1320 2335793.8900 1197387.3990 3640036.9770 2035952.8520 5307599.1410 3871582.3670 4306950.8780 2127971.9480 2408454.6250 929639.1862 3541292.4900 2013493.9470 3078584.4070 1140193.7010 4341671.0940 4711094.8160 4636518.4580 4440081.8130 406946.0775 161749.2768 323130.7656 369096.6404
Imidazoleacetic acid Imidazoleacetic acid 4036960.9520 2277377.1990 5740020.8990 4414759.9360 1574453.7420 495223.7053 3536057.1560 2491147.4210 1097081.7310 981140.1056 793324.0956 503002.8489 1131079.9330 690810.3179 972107.0560 568076.7395 1115157.0560 598303.1176 1839420.9250 896235.7706 1468183.5040 811431.9618 3131981.3990 1505850.3730 7439682.8120 3683494.1190 1645503.0500 928504.2058 6847481.2420 3155115.4510 4522818.2700 3256696.6800 2888630.7410 4284287.3360 26986.2171 23310.0053 22365.2358 25027.2774
IMINODIPROPIONIC ACID 4136159.8620 2704632.1750 8269666.0720 8425079.9560 8287331.0670 1760976.1770 6200887.9690 4213819.9280 5533736.6970 7285364.4470 5473867.7570 2065558.0610 3424872.2390 1278983.8160 4066362.4630 1256946.4490 2294237.1000 1063510.9460 4564307.7010 1466177.9460 5051683.7170 2836171.3010 4185230.3040 1588423.4890 4592094.9420 1459030.7040 4274854.5440 1790670.9180 2877097.8050 705155.5334 8016088.8580 5702327.0310 4477737.5410 7229296.7580 77048.5002 28428.5725 43545.9368 23261.8952
Inosine Inosine 1193965356 871871387.7000 1491146676 1623700245 2051184558 916681686.7000 1435840584 1254986876 1543441763 1351604693 1451025507 932718828.3000 1159352911 815976909.6000 825734299.1000 556926385.1000 1135273669 742130393.2000 1491054940 1012187779 1364038678 883180546.6000 1387973176 899925535.2000 1382243860 845598215 1453280610 1019160273 1397151842 818418533.5000 1599742412 1463363646 1499105892 1563778052 167274.7339 165093.8618 159817.6096 188356.0060
Irgafos 168 32495518.8500 22762023.2400 47227113.7100 42770619.3800 52380828.8100 35996042.5400 51707732.8600 42682039.4800 46022831.9100 47667831.0100 30634909.4000 21567894.1200 29822651.1100 23105286.5300 23040127.7200 16798193.9100 27382627.2700 18605780.3300 34866914.5800 21437592.6200 40761665.8400 26514117.8100 37225705.9000 27445599.8200 30104681.3200 18589211.5000 43594137.7900 37430505.1800 31881998.8400 22646274.0500 14254135.1500 14196249.4400 13630825.1600 14273319.7200 13247511.7300 17832025.4000 15671684.2900 14740117.3600
Isopropyl beta-D-galactopyranoside 4360531.8230 2555498.5760 2688415.5960 2724209.2540 4857426.3750 1707044.3820 11412241.7500 9607061.5780 1204918.1040 1151950.4900 1289539.5190 1054442.2110 2197287.7750 1324948.9000 678663.1415 499838.0083 1601941.3510 887622.4105 670346.8326 418195.5731 808628.5276 417769.9262 581753.5093 290316.8678 695110.1259 477077.4337 640953.4970 515243.5829 596343.6971 327449.4044 368632.7490 2720875.1210 1985053.1100 2468375.2360 110351.4957 83483.3463 265330.9795 24737.5819
ISOXYL 28544023.3000 1286335.0710 16312933.3900 20039628.1900 173089.9692 59620.4129 32383591.0600 29985226.7000 24228946.3200 24230910.8000 33109569.2500 1813860.7080 18744362.8500 2392491.4770 51376770.5800 871338.9841 36013717.8300 72996.9815 32792425.5100 116760.6494 96912758.8600 15890480.9500 75506389.6800 2111717.1030 83858806.3700 93357.6367 83632443.7300 6609933.3410 63284436.4700 89292.1944 339280.8775 42525566.0900 36403265.8200 40921807.5200 72600.7498 77873.1560 84293.2712 87262.5970
Kanosamine 5260586.8180 3971371.2460 17354521.8500 7822874.2820 6741018.8170 8984203.4900 8657919.2670 5885353.1650 8717737.3460 5421495.1110 8021818.4220 5400061.0710 7976762.3450 5171607.0550 6399289.5300 19606675.8900 6744268.4690 3774286.2220 8928249.0480 4933639.0260 8990545.1640 8447601.8820 8833669.4490 9657851.1690 4798199.1340 5693716.0300 8267531.2620 6681858.6380 5185101.3560 5605794.9250 12731702.0200 10069501.5500 9297198.1140 11737185.7800 40307.7163 182148.1780 125351.4003 107817.7441
Ketamine Ketamine 8072512.3160 2563187.3280 121109.5927 122084558.6000 426103.0628 49779.0176 672781.2265 405966.8074 56291201.0800 39908406.5100 714038.4777 177536.1910 31666749.7600 12355593.6300 9819556.6020 3245940.9700 11688695.0600 3221509.5340 15251343.1300 3118587.7490 214419.5520 80604.8028 108225.8046 38426.4333 823202.5938 135050.9452 1160489.5420 265910.3816 786880.7783 52881.9871 309749.3308 42869661.0600 37574901.1200 41646578.7600 58276.3848 71977.5477 80012.5527 90458.4216
Lactamide Lactamide 5379893.1260 4907379.4200 6152133.0320 5499746.8430 9948359.9170 6213743.6230 8233592.4400 7600676.4780 6841009.6590 5599174.2240 33411052.1700 18669015.4500 19237065.8600 10812090.7300 27801280.2300 16321667.1200 17503419.2100 11922493.2500 20958412.4500 7074903.3510 7956068.8140 3039971.4220 10556738.8300 5624415.1290 6982532.7640 2324829.9490 9570466.9500 5650013.0950 4636054.4030 2272487.1010 752512.5556 34259446.0500 45659512.1600 37171112.4200 253300.0252 257019.2859 207299.7921 35495.1224
L-Alanyl-L-glutamine Ala-Gln 2217379.7650 1408860.9760 3862436.0380 3376601.5490 3903829.0470 1240964.9760 2485377.6240 1902392.7030 4171011.9930 2319323.2960 5165095.1320 3192392.9950 7770031.1030 5103808.7500 7961785.2280 4042414.2160 7787644.3290 4408829.9490 7146377.4460 5397706.8470 2278254.9430 1553174.0230 2572864.8830 1258934.2590 3947395.3270 2151464.6300 2763722.5020 1730934.8310 2153573.9930 1041408.2290 1832490.3990 3392452.3690 3417305.7220 3398676.8940 35938.3316 31137.5294 28228.3850 26973.5514
L-coprine Coprine 5669311.0580 5367220.0930 11879282 10279429.4000 15797230.0100 4336969.4220 14605902.1000 10155459.3300 8897034.4340 10670858.2100 15017005.9100 10013605.1300 13039717.0900 10912594.7800 25420258.7900 15350675.0600 24520122.3200 14171750.8800 30504004.1100 16756897.6900 6586548.4050 5525541.5730 8843197.7480 5314731.1410 9710299.6100 6351388.7070 15285160.5100 9159469.7560 10303123.5900 4854634.4270 931063.5190 13932641.7200 8460039.7990 12283946.8300 218073.1668 185475.5655 180561.0545 168672.9496
L-decyline 1212188.6880 757683.1562 1020825.4690 1180007.0880 1911936.6690 728625.3560 5776483.6580 4478695.7120 894834.5772 823003.1084 2542545.0690 1396955.0640 859067.9773 561998.8694 732699.6760 537569.7902 582491.5613 444229.3889 1035532.1840 544261.1947 2478270.5160 1310441.7520 1846069.0950 1032953.2690 1869811.7740 754344.6264 4145821.5030 2460072.8770 946642.0917 531477.1141 3585141.6890 3221311.6380 3094035.7400 3432884.9970 51682.2053 39417.5609 33244.7838 44845.4629
lentiginosine Lentiginosine 4760678.6370 3375728.6100 5377191.1200 4316636.3230 6511923.5440 2441661.3970 11987184.4500 9698119.7460 5788977.4810 5199872.8400 2623780.7460 1703230.6360 5252247.9810 3628664.9520 868283.0621 692371.1820 1537045.6440 1374425.3750 1484582.1960 1001290.7800 139929140.7000 84813609.3800 114989295.4000 67194084.3600 96671504.4800 47922346.7500 75326111.6100 46881217.3700 107082615.1000 54343463.4200 44466492.6800 45349342.5600 43977870.2600 44805842.9700 139872.9691 265140.7010 34491.6019 182105.4238
Leucine Leucine 2686192.7500 1614562.5650 5623348.2360 5052945.3090 8217199.8150 2153441.9150 2898519.4910 2273599.1660 7554835.1540 4898851.1810 2505582.7360 1650766.5670 6665168.8430 3775981.9490 2047094.2560 1229778.1390 2746922.5550 1332359.2190 3369505.5700 1950095.2410 8900629.7050 4689613.8140 3844108.4710 2062821.9700 3599421.2870 1404687.8550 4115678.3580 1902598.9050 3284571.7020 1676824.0610 392155.1898 4446200.2250 4627425.9510 4491929.2590 240708.0071 418382.0872 564294.9838 176322.8826
Leucylmethionine Leu-Met 1852595.3120 1123743.3050 248253.0107 2622195.6690 3898355.1330 1301410.5900 3031213.3440 1972231.6930 2601000.5250 2361480.8340 4063916.5210 2215312.7010 4196465.2970 2353247.2540 3788236.6630 2114128.0340 4498188.6170 2008893.2890 5739711.7920 2859766.3100 2286079.2780 1669345.6810 2875855.9460 1504849.9800 4339827.6340 1939715.3950 2774738.4720 1676021.0670 2689537.7260 1456611.4060 156513.6795 2677569.3630 2523135.6530 2636636.3860 69561.0937 57038.0281 34189.1204 30242.6916
Leucylproline Leu-Pro 5552440.7270 4791533.7530 4864622.6930 10184599.4900 5313936.9710 2910818.3240 9307938.1110 9410218.4200 8889259.2240 8743917.9280 8540553.7390 6385987.1230 7878815.1180 5895761.0740 12465752 9323079.5460 11571096.6000 8852391.1150 19081599.7900 5710885.2860 10921246.7600 9808654.1540 19389117.3100 13482209.8400 24363591.8700 8329894.5140 13411385.3500 6619733.6360 11064831.7100 4792091.5470 1511982.0950 9019846.7340 6547420.1480 8387492.8360 61616.4941 52698.7404 47300.8193 43939.4798
Leucyltyrosine Leu-Tyr 1803066.6400 849350.6469 1866617.4550 1715348.0260 4009239.3170 850922.0168 2485139.8180 1744562.7360 1536220.4620 1750699.8480 5362694.9910 3382645.2830 5603497.8280 3430796.1890 5443268.0190 3128795.1640 5361707.6600 3208643.0250 7513617.6890 3727059.4890 2301737.7490 1357821.6650 2626077.4810 1304304.5180 2755275.6990 1116753.9430 2818406.4670 1608969.9920 1894923.6630 788471.4700 357816.3934 3227078.3260 3150725.1530 3210303.5830 34447.7255 31046.3870 30558.3890 31562.0241
leu-gln Leu-Gln 15926189.1700 9825824.6080 15051163.4900 13085067.2100 16524346.9000 6427448.3490 8783873.4120 9202945.6260 8466686.3290 7695023.0230 27001990.6000 11623216.5300 28244968.4000 16673166.3400 20866270.3400 13603062.2900 28443310.8600 17423457.0600 31767301.9800 16484062.9400 15229912.0100 9905969.3870 15212349.1000 9654519.3140 15944514.5700 8287807.7620 19379747.1800 12160540.8200 15567546.1400 7989069.3520 211789.9083 18315343.8700 16290742.9100 17873071.5300 32303.3398 99335.1400 104511.1212 30419.7944
Leu-Leu Leu-Leu 22197976.5400 12234860.5800 32411337.5700 24350144.4700 37598612.0700 14872718.7400 39524292.9200 38609094.9800 42353296.2700 53876248.8300 49728129.5600 32257294.8500 51216918.0200 33455888.2700 43274516.3600 29636175.9900 57828409.2400 31420824.5500 57719481.9800 42611181.7300 30771835.7900 15161119.4600 29849918.2800 17512504.3200 45489055.5500 20594287.1800 37055527.7500 23228509.8000 33224830.9600 19990158.1700 32239248.0400 29054324.3300 27590307.9500 31300447.3600 54317.9418 48441.5368 44283.5543 42186.4380
leu-lys Leu-Lys 1579244.2650 667793.7538 1702551.0060 1289458.5620 3310470.5480 936262.8002 2168435.5860 1407455.7100 2122361.2660 1788509.3730 3010556.8180 1832457.7140 3646646.6280 2331971.8260 4468796.1880 2424756.2820 3761744.0640 1835693.3180 3834478.9220 2508930.9890 843876.2785 613765.7093 1867088.2220 1043163.5830 4288992.9360 2013758.5810 1985067.1200 1021697.1490 2379329.4600 1034218.9510 25833.9574 2222667.0750 1855897.2080 2123643.7750 33877.7051 28914.1507 47676.3388 32619.0849
Leu-pro Leu-Pro 1131292.7170 555818.8873 1891056.2310 1582001.9220 1615515.3090 619121.1836 1929686.3140 1840712.4630 1903288.8850 1529236.9300 3344095.2200 2094976.3020 4253892.5440 2356392.9950 5711827.6430 3464018.0270 5502038.7210 3004955.1300 6649006.7990 3960769.9340 1686490.9580 793778.0143 1527235.9380 804007.9870 1923567.8620 1063038.1350 2106150.0990 1377083.7950 1433115.6560 845334.3694 948189.3290 2071055.5800 1348588.4760 1428309.3130 46967.2327 31234.1561 24757.7470 121799.1119
Leu-Val Leu-Val 81151285.6300 52142733.2000 79116498.2700 63620223.1000 66708112.0500 19238162.7200 139593738.1000 106391742.2000 88678392.6500 16156222.8600 82311338.0400 49463808.6900 68397251.9400 47883432.2500 108101872.6000 55636335.2000 63474725.6500 30441342.6000 85292889.5100 42167327.9500 146569349.5000 79051609.3800 131654837.4000 68168531.6800 210760574.4000 96022260.0500 120869119.7000 67852282.7100 143266565.9000 64107327.3700 142081161.5000 124352834 112534526.8000 137595058.4000 28082.9697 21089.6572 20042.8136 20112.8080
L-Glutamic acid Glutamic acid 4624755.0700 3540816.4000 7371012.2830 5337532.5420 9572026.5700 4291477.7950 9064285.7530 6200837.5250 10370245.8400 8841072.0680 5827663.7590 3608403.2030 3397648.7070 2505285.6720 2863611.7330 1807151.7580 4783409.9990 3133463.6320 4987340.2740 2795008.3060 4364870.4410 2587276.7480 5806375.3990 2852657.1070 4447251.3080 2597227.2340 7239843.7870 4234212.2020 4055672.4010 2196659.5800 13150049.1000 10708688.3000 9318069.3830 11944384.9300 44799.9284 28549.6600 22085.3342 17083.8794
L-Glutamic acid_ 5-[2-(4-carboxyphenyl)hydrazide] 901254.3970 548500.9828 1340486.1180 1188989.7510 1016505.9370 290006.7237 743322.9429 677495.2876 2134259.0180 1897069.7140 2604509.4010 1705474.2560 618874.0636 295636.9336 738169.0577 440867.8049 1133543.5900 546682.3530 1992578.2870 1092656.2730 553885.2777 407937.6119 575006.2580 316635.2711 1085208.7480 508214.7903 1193537.2450 666706.3329 917313.8609 462193.0372 866115.9886 848903.1399 845762.0328 865162.3583 83606.1796 95431.7666 102376.0274 130642.3741
l-Histidinal Histidinal 886121.0276 588876.9937 344302.0875 1084646.8190 837933.5317 311647.3139 1162495.4160 903809.0913 1052453.5110 915963.3664 671922.4766 411825.0903 1220403.1570 793033.9710 1011855.2320 429718.3978 851863.8295 535839.6894 1238725.7870 717389.7926 3090491.5180 1886727.9050 4284159.4350 2233852.3200 6851786.1980 3509727.2020 3776433.0230 2646227.9620 6453228.8930 3275058.1660 406983.9601 2067097.6390 1698015.7680 1967968.3520 72570.8165 47194.7127 30152.4055 28172.3058
L-Histidine Histidine 47884953.8500 21017340.0300 55542890.4100 32352541.1200 74237850.8700 16228971.1300 54624734.4100 25930708.4000 45234080.8800 28221072.8100 30480091.8200 18379054.8800 39885985.8800 14847805.6300 24487074.4600 11788126.0600 29486840.6200 7758503.0960 25227486.4400 12162859.7900 22994148.1100 15879638.8700 44380345.1900 19444217.0900 47989693.0300 12170746.7900 35327785.4700 12588125.0900 34439128.9600 10016970.3400 569933.6626 14421673.5200 13442682.6800 14312102.5600 59986.4080 131337.1855 69338.6031 89208.6426
L-Homocysteic acid Homocysteic acid 3658701.7410 2168364.7850 1612210.4640 2396716.7110 3988721.0160 1213959.3480 5285602.7290 4130768.9300 5062998.5440 4339347.1980 3896038.7390 2565603.2670 4265179.4790 2661862.0320 6648465.8390 3954903.0250 4058226.1840 2258911.2810 5854804.4990 3019381.7840 2951603.4940 1999521.2430 5633191.4850 2970568.6240 5957852.1440 2641244.5780 4878687.3110 3036069.4290 4908402.8260 2275042.6550 3183600.6180 3293878.9950 2805479.9550 3241717.0900 25346.2498 23087.8528 21373.1162 21600.6404
L-Hydroxyproline 2180763.4150 1874008.8480 10267448.2100 9313921.5030 10015761.2200 4832596.9910 5829715.4110 10631410.2100 2807272.3210 2838630.8400 2137019.9950 1755428.7090 3045091.6300 1507704.7710 1441594.0270 882036.5312 1141387.3630 934075.4547 1874831.1590 1770463.1990 16926943.7200 8843607.9620 10249891.6000 8883684.6670 11904568.8000 7405738.1780 11318177.9100 7425878.8560 19807162.4700 7402060.4450 6800538.0560 6943408.2040 6807501.8720 6852760.9810 162985.0340 124353.3847 13710.8800 119791.4096
L-Kynurenine Kynurenine 29764148.6700 8963138.0650 8034249.5580 9486114.8230 8298672.2820 2251268.5080 23600777.8000 14028724.6400 4976777.9370 4722275.8920 32132869.1500 15409826.3300 12970460.7700 5882561.2730 54346356.5300 29510156.5200 24034186.7400 9522902.1410 5634110.3950 3088686.7840 31177739.9800 20930754.2800 47157055.1600 23381137.0100 197895029.2000 52616115.3900 34359465.1400 18430944.5000 100058057.9000 46052276.0900 32772551.4800 29659485.0600 30691176.8900 32120459.7300 320388.9103 192903.1498 188659.8835 277559.2859
L-(-)-methionine Methionine 57703178.9800 36256645.1800 28135642.5800 25078427.1500 56043561.0500 20043247.1800 75859286.6500 63389954.6200 39818595.5900 31201800.3200 65829105.6500 38569389.3700 50067321.4300 30573371.7600 40648144.0600 26903869.3300 45653770.7700 26304286.8500 73966137.6700 36651594.8300 119639883.3000 74655638.3200 119118318.6000 61116527.8500 91885158.6300 45189954 131279293.1000 81296618.1000 63483843.4900 37432582.3800 84211760.9600 77709953.0200 77741476.7100 82229082.9900 282566.2136 270308.0848 250466.1521 238842.1707
L-(-)-Methionine Methionine 447808480.7000 255122531.6000 790327711.8000 551576682.9000 1037464044 302531349.8000 473413767.4000 409052908.8000 548179353.9000 456886268.1000 374555623.1000 218692329.9000 466924470.8000 270592249 389064741.3000 217858680.5000 457729250.1000 239789992.7000 481635192.1000 231183674.2000 529388176.6000 294155791.9000 546687557 289068169.1000 484692284.3000 229463113.3000 474736112.2000 260774003.5000 409112265.3000 189379533.9000 500594777.4000 480778172.5000 457448028.9000 498119554.9000 85932.6331 83781.6085 83260.0108 85429.4261
L-(+)-norleucine Norleucine 1665390.6650 1120530.1100 4004406.4910 2315757.0400 1279027.0960 1270001.6470 2078365.3960 1801212.0170 2508416.3210 2207761.1780 3340232.3710 2466050.1460 2094722.3170 1772368.8110 1162671.9380 1060151.3100 2395840.0520 1504201.7360 2049730.4910 1651484.4730 1916690.7390 2065948.1490 2646630.3450 1748817.6700 1685665.8750 1177492.5470 2179134.5340 2268666.2180 2089207.1320 1517160.5780 1027561.3970 6214295.4910 7520559.5790 6556001.1890 284243.0719 506981.1421 512570.6418 383956.4425
L-Norleucine Norleucine 1051531752 739034998.5000 963262450.3000 1022564011 2070450924 596245349.6000 1190900894 814391900.7000 1054765773 1039099647 1204525746 560586691.2000 1350700406 790883377.6000 1021274293 567031632.5000 1062571392 576273347.1000 1074776544 481691573.1000 1095908235 627581377 1531783981 709661011.1000 977248844.1000 413388195.3000 1166897750 702501926.4000 967508792.4000 363455115.9000 1847837684 1083928812 1113136227 1781735669 152718.2570 250593.1323 334959.7720 907972.0949
L-Phenylalanine Phenylalanine 1612462958 936730546.6000 2110860642 1790360946 2490968262 700622855.4000 2040740842 1438765688 1645928642 1366203454 1831764833 1050680928 1674457095 1022146993 1678000087 946097760.4000 1836972732 991050960.7000 1825948443 930204825.9000 1992517406 1060609006 2082554767 1091481684 1802384305 834305458.7000 1829078117 1057492913 1604582724 834825458.7000 1971379638 1693846122 1647858658 1908210988 1567937.5210 336547.5824 568515.2435 362135.7772
L(-)-Pipecolinic acid 18820849.3500 13911049.5800 33770847.8800 39011342.1500 18315372.5000 8586393.5280 40963658.3700 40689533.1300 26202327.9800 25473464.7100 16958432.5200 16676486.2900 20830166.6000 18679429.0800 40182727.9200 25917426 29347163.1300 25667176.5600 21559407.7300 14837386.3900 64312630.1700 44680116.2000 42773192.3200 20429655.3000 46565672.2300 30501557.9300 42339871.8800 30615766.9500 63887315.4000 45431480.0900 46037399.9500 39437481.1500 34415360.3100 44725001.4200 121038.3875 178576.4370 29849.5125 133432.3019
L-Proline Proline 22317441.4500 12203252.9100 32623109.9200 33250880.4500 30749123.1500 7403186.0530 39762979.2500 28415009.4000 30034079.0300 23368331.0300 19192158.2100 10621557.0300 24075911.3200 13842555.2600 41123824.6300 20274176.4200 27182820.2700 13638275.6800 33964212.2600 14894821.6300 18358595.7300 8829965.5550 19646147.3800 8185153.3400 32774960.7700 13821511.8300 23773783.2700 13125410.2100 22948730.4300 9739325.6480 1994607.4780 26159698.4900 23695999.6000 25555412.5600 137440.8116 243820.2078 26518.5914 134156.7080
L-Pyroglutamic acid Pyroglutamic acid 23040765.3100 19155952.5600 39637677.5600 32570010.6000 33080969.8500 12170478.6900 50059838.4600 33495862.2200 33498898.8000 29728875.3400 26898374.8600 16834955.5700 20266818.1800 12590159.3700 26007800.9500 15668077.8800 24229644.3700 13450117.2700 26053002.6000 14090191.6600 28238121.6600 17205506.3400 38820997.7900 21423815.5700 64427490.5400 33406785.3800 38294294.4400 23051099.9500 50296531.9500 23529956.1300 45946946.3500 38515009.4000 36164537.1400 43916903.3100 316761.6399 63412.9156 107944.9146 40904.3593
L-pyrrolysine 3180820.6360 4732603.5230 4840800.7890 2231130.1940 120300.2827 139956.5201 3014381.5700 2850104.9910 219488.0309 2434912.0940 2316713.5740 3524578.5040 1424264.7720 2127897.9820 7728839.6850 13532446.0700 1616714.3170 3570773.0380 2759225.7050 5104187.7620 2169035.3920 4864074.7140 2839494.9050 6185205.8610 1389265.2620 4477471.4690 4908248.0680 4080482.6410 2536229.8760 3265799.8360 1062246.2890 3893912.8230 4403975.5780 4075808.2830 267620.7755 118433.4538 117826.1478 126663.0206
LQ1825000 7158545.5340 5023631.7780 5262151.0730 8379277.1050 5585682.5000 3744609.7950 5897914.1290 5096941.1990 14187337.1500 11285330.8900 2850637.4470 2402209.7490 3137682.0110 2236382.6150 2444864.4810 1812731.4810 2201620.3160 1761602.2240 2898799.9460 1217289.5970 4483909.6360 4150089.6250 7954063.0320 4575241.2000 12341259.9700 6923647.4050 9248015.9370 5506046.4350 10427565.7500 5744387.1980 357819.9035 7457720.4600 6569823.2110 7296426.4840 399762.2414 336510.4870 357050.7309 409460.1461
L-Theanine N(5)-Ethyl-glutamine 5031847.8980 2977035.3200 6521338.8410 5249560.9520 11297784.0300 3070425.9990 6277341.6730 4073830.5500 6442523.7110 5765768.3910 6864307.9370 3992147.0500 7804252.9620 4899110.7360 7995114.7470 4784370.1520 7545380.3160 4483271.8290 9374677.3400 4775697.4730 5261715.3940 2827506.1810 7116999.1570 3777456.4100 11098421.4000 5174789.4920 6666233.9880 4334983.2980 7428076.4700 3543479.0110 7192022.8850 4986995.1670 6492623.0710 6462357.0260 39898.3383 28497.8027 22246.6772 21004.6685
L-Threonic acid-1_4-lactone 108883057.1000 73852070.9600 247583937.9000 238484553.6000 126913013.3000 52783211.9200 272053887.7000 207694023.1000 115889486.2000 97242035.3900 104547328.8000 64130726.6400 284515029.4000 181735972.9000 402398329.7000 71667144.9100 262873582.6000 157752302.7000 403323032.6000 228344501.8000 148525942.8000 92084407.0600 198315806.3000 114289575.3000 134357575.3000 75802620.0900 227547572 154563597.7000 164063719.6000 86436356.3100 263480850.9000 221720648.4000 200902548.1000 253301034.6000 268108.7720 56924.6505 259865.2934 321988.6093
L-(-)-Threonine Threonine 32348188.2700 19929836.3000 62237171.2100 62582026.1000 72481842.7700 21663612.8800 54276671.0600 38095147.4500 46535006.9300 36713925.4400 112513633.8000 65387750.9600 98948490.5200 57551620.2500 151114333.3000 72245231.2300 132400952.6000 67987889.8600 138450317.2000 69653794.5400 34561770.0700 18640835.7600 48236954.9200 26153288.7400 48915747.0100 5482984.4460 43443553.1700 26687358.2800 35606828.7800 19065942.7800 125252684.8000 73255045.0300 67489992.1700 113876725.5000 37594.6585 39861.1372 37398.3873 41264.8565
L-Tyrosine Tyrosine 330648997.3000 177688460.6000 277473889.9000 285866794.4000 532214040.7000 141347500.6000 353527455.2000 259307698.9000 334180685.5000 288421461.5000 270804767.8000 148130929.6000 260508964.5000 145715217.5000 232428587.4000 113078951.7000 231223378.6000 112429625 265843376.6000 111003892.8000 343746044.4000 182975347.1000 378769503.4000 161531433.2000 446013317.4000 187625321 345665941.9000 185836738.1000 367486332.1000 140509497.4000 340113964 322054476.1000 314448732.5000 335183149.9000 124034.0791 104039.6195 84621.7687 87369.8804
L-Tyrosine methyl ester Methyl tyrosinate 32223414.0500 17734578.9000 32580592.0200 36189207.7000 48311909.0800 19210108.3600 36521249.0600 29389305.7500 34972466.8300 31010994.6800 71866379.5100 48755419.3300 89461301.3900 54917218.1300 103615464.9000 54696332.3100 116654033.2000 59820657.7300 118274682.4000 66513166.4000 39897557.5900 21496107.5800 46371424.0600 23403017.6900 32868168.6800 20779447.0200 45148889.4800 28796519.4700 36196554.4400 19051501.6200 68398563.0200 56099937.2900 53248118.8900 65229993.2500 38178.1990 35546.4012 33333.6387 33423.4241
LU3453000 136388248.7000 106981738.4000 82473449.0100 80316121.1100 171502747.8000 91728545.5700 87740836.6500 68938717.2800 21459420.9200 77995444.6700 195600865.9000 92270315.9300 114132211 107075528.5000 95229017.2100 62266573.3500 86335893.4300 87912510.8500 128713404 83138500.6300 80856811.5500 61927294 126732889.9000 78851044.7900 56430876.2200 34606318.6600 19802965.4000 75264320.5000 86704162.6500 53751956.2300 247052.7496 102345594.4000 127464815.4000 98558777.7700 20947.3201 25868.3335 31721.3603 139488.2416
(-)-Lupinine Lupinine 7920513.9230 5450206.8740 12692183.3200 10250189.4300 6649427.2730 3884594.6640 8073399.1980 6541222.0540 17696256.8700 14795312.7200 1598916.3800 1906726.5260 3771747.3060 1762027.9700 2812498.1270 1426609.2160 1550685.0340 1141012.2960 2146991.8600 1364123.0500 6135750.0720 3704853.6580 6865332.6790 4614428.9730 15981532.4800 10186758.0700 10925179.9900 6805905.3310 12332642.0600 8216033.6040 124824.7041 8851702.9480 7974290.7160 8650472.4100 139832.6544 101550.0168 55544.1990 56287.8688
Lycofawcine 364844.0053 481884.0977 95142.5591 495933.8488 1486378.8880 83408.9370 1681498.2620 607061.3540 554956.8427 599183.9002 240309.2351 345580.2758 412527.1403 373899.3059 318567.4860 289255.5443 1860967.4740 314149.2480 538052.8165 300504.1754 2143517.8230 635638.7432 7652867.9240 1129467.4560 2663028.2620 401961.2358 3803327.7410 849253.3968 3705229.1140 428839.0842 181600.8497 1019300.0800 1888021.1940 1047693.5050 44591.6348 1387325.3340 2170823.2380 1290728.2420
lycopsamine Lycopsamine 378980.6101 304401.0284 229778.4131 436681.7795 10174210.1000 297984.5415 483874.1759 411335.6964 470627.0682 455904.0077 427857.1450 370093.5370 395075.7287 331000.6474 318145.2136 244518.4381 13042628.2100 296059.6829 455892.3559 379576.8951 457856.0775 333268.0073 409938.2678 299687.5762 377049.1494 279881.9063 429034.1684 349980.1737 373954.7356 289080.0888 6033989.7170 4728253.0740 4164396.2400 5662263.1380 50079.3552 43626.1202 33224.6247 31197.2665
lys-leu Lys-Leu 572212.3692 313261.8988 1056984.1690 842593.8816 958703.2985 320301.1729 549050.3369 412119.7026 671207.9613 647658.5134 3333745.2590 2004782.8020 3969452.0080 2352383.5930 2477033.7360 1368192.4830 4083050.1090 2080458.7420 6775115.6150 3956171.4120 900941.3953 485982.9778 1069521.8950 574396.2076 1355704.5500 696008.9359 862879.7972 516577.6043 613128.0279 282447.4511 1857630.4670 1407752.9950 1345477.5670 1780190.9480 25609.9679 23645.0218 101555.9946 26134.1392
lys-tyr Lys-Tyr 7384117.1830 5995953.2520 21553808.6800 9985436.4640 51961232.2000 13273241.2800 7472146.4660 7153079.6150 13185184.7000 10805984.2300 12872443.7000 4368913.9200 6414968.3550 3959911.9230 11057577.3800 5003533.4810 4223611.6040 1897538.2540 9324849.9850 4869391.3520 3072861.2130 1711503.9070 18967731.4200 8112431.3200 10623948.2700 3202403.5930 10049321.2500 5685215.8340 10629023.3700 4989471.4380 14411761.0600 8561093.9210 10998921.7800 12806872.5000 28997.9379 24462.7988 24249.4148 24946.2553
Marimastat 1126819.7130 706481.5447 384870.6894 564415.7244 1058864.5350 342820.6085 662613.7213 503307.3465 665163.5424 621368.1306 3973599.4450 2324467.3710 4195872.9230 3233851.5510 3444145.1960 2119614.1350 3827183.6610 2359267.3890 5435176.4080 2981359.6270 702342.3987 516672.5458 1033712.3820 560560.6575 583824.3689 385243.9692 827821.8251 544387.7118 1028247.9600 531099.2365 1743082.4400 1446950.9580 1273464.8550 1674633.9730 29382.9093 28779.4217 26698.6447 28244.7317
m-carboxyaniline 3370807.9180 3014589.7220 10443264.1300 7909308.1820 511923.2770 2682290.1600 3949099.5410 4735305.1410 8051089.9680 6633420.4640 228740.5595 3379307.5930 2385008.9460 2977858.7130 5286883.4410 3183293.3000 3770306.3260 3560184.2440 668511.7360 3059151.5400 316286.3178 3407990.1510 2009309.3720 1657919.9550 6312830.4950 2914572.1410 3656660.4010 2834154.4080 3234604.7590 2671953.2770 3186174.2830 3246752.0380 3113544.0540 3207602.9570 126580.9063 90461.3107 42299.4686 60746.6944
Melamine Melamine 380454.3465 273916.8020 231949.6613 423507.7301 836519.8797 454257.8756 367243.4935 290504.4532 385245.8938 278402.3319 640088.6282 416630.0413 379196.5570 255919.0567 1412699.5590 925045.1729 956675.8162 672446.0903 884505.7073 616093.8328 10780524.7100 7719154.2560 1756450.4430 1401634.9270 2335154.0120 1329486.2920 1667969.6940 1288390.4450 1514879.1100 1163871.0820 3105265.4240 2048575.2990 1878567.5180 3018174.2180 16178.2223 17204.4866 18694.8715 25825.6072
mephenesin 7531307.8460 6014593.7260 8078976.4140 8010437.9840 8477930.4380 4995529.3990 9444173.6290 7852716.3760 8079999.5540 7757297.7570 8596857.0710 6299195.7700 7004654.9330 5531227.0030 9724606.7000 7079702.9340 10938757.9200 7189297.4160 8430576.9910 5293562.0230 20047648.6700 18432361.7100 7719179.3730 6734457.6300 9264783.3410 7096474.6650 11716759.1000 10746363.2400 11612565.6000 8329024.4650 210686.7515 12563124.4200 10606827.1000 12081313.6100 245748.8612 242018.9083 160276.6441 184123.3666
meprobamate Meprobamate 1856735.2140 1442065.8210 2433605.8150 3471974.4220 3802135.0430 1252572.0330 2397461.8940 2570862.3430 2654497.8490 2137078.7150 8027160.2250 4464556.0220 10368590.2000 4448981.9440 11870865.2700 7314092.1120 9564068.0260 5322179.0620 10664026.2000 6237682.8120 2322044.2240 1140824.2960 2914245.5770 1652160.4290 5185207.4860 2553200.4830 2836969.5690 1857009.7750 2541939.5710 1396835.9940 823122.8435 4174116.5880 3536668.1000 3966983.1980 59223.1281 40796.4774 31471.5060 23191.9345
Methamphetamine Methamphetamine 126216.1012 85637.8459 102503.6760 138233.8791 186942.8280 90372.1689 218406.6833 261742.3477 165080.5803 161362.0774 480884.5916 358537.8251 105261.9702 125068.0910 213796.8820 182450.7490 214607.7362 253998.4562 172671.4967 229503.8345 5665369.0570 3513375.1000 592031.0226 400269.8889 668526.7868 472751.0068 2008415.2510 1339817.6340 404025.8042 329199.8677 71572.5250 1124052.7640 1051985.1480 1106338.4870 37638.1510 39258.0353 28699.7735 39051.0016
Methionylleucine Met-Leu 3523443.3600 1941412.1380 5165351.8850 5947684.1670 7473232.8570 1842316.1440 5984471.6870 4349594.7000 4686226.7820 4422665.5610 8525827.5620 3899803.1660 5778370.4820 5005817.1950 8388559.3230 4857970.2480 10474916.0900 4175990.9860 14760505.9100 5423950.9490 4795107.8680 2871031.4170 3079362.7840 2948977.5360 3537525.6330 3226447.2680 5988407.2520 3254089.7720 2918164.5640 2089604.4130 321348.3005 6027038.9830 6020383.9040 6025210.8830 33567.9470 26302.8302 23517.6435 20749.6260
Methyl (2R_3S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate 785651.3044 948936.7619 3050271.1350 4647599.0660 4488375.3160 185530.2773 941209.4297 1484538.3210 4491783.0530 3871088.5010 165772.4316 150027.3062 393926.4229 131803.4363 4461021.1300 820862.8462 3815670.6250 113590.1224 496844.8640 259254.7453 41666436.9100 32568971.9200 42064293.8200 33378940.6600 38683561.2300 26405795.7200 44497037.3100 29866578.4600 46784956.5600 29614350.3300 19087718.9500 16875463.4100 11924013.2400 18636915.3000 36570.7951 31472.0068 28112.6180 28289.2739
Methylbutylnitrosamine 52160123.9500 33162706.4000 36511865.8500 40691618.8400 80677521.3400 27933773.3100 102550302.2000 79691372.2100 52368737.6300 43359212.9800 53020072.1500 32432531.4100 25878957.7800 14792810.9100 25411309.5500 15066246.1000 23977138.9100 14431912.4300 44461346.2100 22114557.2400 42103022.5300 24648085 56672249.5000 30587001.7900 57140731.2900 28236726.1700 55344045.7100 29859789.8700 45860975.7500 23571042.8100 444947.1190 33037344.1600 29762087.1300 32182968.7300 36401.6512 61585.3390 51390.9155 25593.7715
Methylenediurea Methylenediurea 248149.2585 165859.0927 15072944.7200 9207149.7030 863928.8331 463994.2116 1459302.6150 1199090.5200 957444.5494 931813.3851 944955.7984 896175.0501 364965.8532 242672.6812 7762181.0780 5621567.3310 590305.9914 491560.2487 275329.4582 190460.6100 2427742.5340 2017473.4280 2523026.9450 1760626.3920 3941212.1520 3004187.5060 4631321.5010 3226415.9730 2333664.2620 1619714.9380 1740819.3150 2533887.8520 2109884.9080 2046462.3280 55669.3964 43128.6555 36659.6572 45354.9181
Methylimidazoleacetic acid Methylimidazoleacetic acid 26216321.9800 14242441.5800 42024456.0900 32496802.6300 22153081.8300 5866253.4250 37548247.2000 26233631.4200 24251244.1900 18299700.6600 14546280.2400 7947588.4030 12305132.2900 7236753.7430 51091531.7300 24533976.9300 28572557.7200 13342851.1500 21808334.5100 10483611.0800 56220384.4800 30346428.4100 48449692.2600 24429080.4100 110002818 43129091.1100 52475965.9900 28848311.2300 57965997.7000 24985826.5800 1319071.9950 37179507.4300 28329036.9300 34455701.7900 137004.7057 26316.9920 63371.9259 49695.1788
Methyl-L-histidinate 43771275.5400 23457025.7900 62758293.3200 68387287.0800 64470499.9400 19413834.4700 51582492.5200 40008016.6400 59155441.2300 50041781.2300 126646046.4000 70051859.7500 122914283.3000 76541435.6600 172613232.1000 82315993.9200 145522434.7000 54517240.5500 174736986.6000 88959495.6600 40291029.5400 14550299.0500 46560972.3800 29813049.8800 58105677.1800 21264445.9500 48125309.2800 17289034.0700 43087041.3800 19721804.7900 80064551.1000 66622355.1800 68146312.2100 76713087.9600 278540.3838 198627.3679 36552.2909 203635.6727
Methylone 2747871.5720 2298624.7780 3192652.1240 2533768.8840 2040832.3530 1131282.6760 2834476.0740 2488326.7090 3541415.4230 3365511.1760 43247737.3800 33718941.7900 1549275.9900 1337443.2970 1286680.8560 997087.9028 2587338.2630 2002717.4730 5856258.4200 4847472.3470 4312959.1410 3215686.0280 1770676.5300 1297466.0540 955223.2602 755125.7857 3315188.3660 2263938.9850 1985545.6700 1489016.9940 5038923.2690 4826204.3660 4593860.8480 4985436.1160 81398.6834 31091.4847 28469.5959 46450.1093
MFCD00025555 17895816.5700 11755128.2200 29953510.1400 24368379.1600 23229971.4600 13976012.1900 18373371.2400 14513956.3000 21855520.8300 19232333.4000 52182590.8200 37705085.5700 50601968.9100 40878483.1700 54023090.1400 40590196.9300 64137845.3600 43253329.2500 72638057.5000 51894261.0400 19051648.6800 14400730.4600 20959225.8600 15555738.6600 26903148.7000 20358110.1900 22074965.9800 19071498.0100 17862196.8500 13652866.3000 463808.8220 25139096.5100 35183508.7400 27572113.0100 36295.1177 32801.8662 29334.4451 30485.6459
MFCD01318772 567105.7593 553700.0508 1224886.2070 1175448.6270 1172229.0930 498450.4709 1102079.9200 697682.0162 779333.5118 636999.2763 1681587.6210 1632431.2620 1678737.3110 1268682.6300 5593128.1300 3081703.9330 3088799.7590 2940407.7390 2744644.5720 1724850.9600 1052671.3940 748379.3329 1065021.3480 786458.9043 1439918.6600 656627.4971 1173950.7010 863492.7737 945316.3196 484950.2976 606629.8410 1178477.6160 1101743.5320 1162870.0270 41272.8526 40985.7221 53743.2295 60475.4455
MFCD02728197 1053661.7920 737720.3905 1546294.0370 1386622.0490 1588571.0760 499150.2592 1229922.6420 869052.1425 2015508.3230 1399642.0640 3375538.2520 2254886.9470 2823752.1960 2027759.3840 3935520.9710 2063655.6790 4373736.2790 2540423.6180 4494657.1050 2841978.3010 2705085.0970 934975.0497 1358274.3910 691187.3771 1737754.7360 889133.4000 2059973.9770 1089907.8600 1007701.1810 585829.8641 2136287.7250 2057052.7690 1729119.6800 2094283.7160 49602.9691 39315.7427 31780.4134 38282.4979
MFCD10024834 19243049.7600 11718304.3500 29795551.3000 24663975.1200 25711946.5600 7469685.3750 34684826 24193662.3700 24904463.1800 19723915.1300 26829738.8100 15850508.4200 14378542.7900 8554643.3490 19633328.7600 9819081.5180 17177094.7600 9026332.7550 18925439.6600 10199454.4100 30193510.8700 18303802.6700 19776902.7500 12114153.7800 19724532.8900 10187271.2600 22622719.8700 13461631.9000 15530683.6200 6305035.9900 30504003.3700 22642419.7700 20977424.2400 28500639.7500 38450.9056 28646.1979 80712.0032 45645.6467
Minoxidil 282696.9219 176221.5550 1408466.9690 1213976.8740 1012515.7440 300542.3819 1037797.7650 724385.9949 512621.1480 434420.2526 2604077.1620 1397697.1620 675416.6756 404153.7178 23825438.2500 11817839.1500 593268.9885 273566.4087 614504.7382 405561.0916 4048184.1260 2856695.8930 3251583.9270 1673121.4040 5394532.0690 2665406.7020 4930147.8960 2795706.8540 4396641.0380 2029058.0750 5057398.2000 3210384.6290 3125568.3430 4548407.6340 29402.3578 45790.5620 57366.8792 53157.6078
MO4650000 9450872.5930 6252054.4980 18437839.4100 17868192.9500 10188516.4800 4610366.5030 42382987.1800 32130669.1800 19798427.2100 16509906.7900 6825422.3620 4627599.1550 4161777.8960 3111423.0710 4880274.5720 4058207.4650 4691867.0360 3203943.6030 3770529.6020 2548433.4980 12176431.3500 8324374.1910 11220566.7000 7327415.4390 4268045.6020 2807736.7540 23742256.7000 16348541.9000 5555522.1690 3343420.0910 68946132.1200 68828849.7000 64647633.4300 69086317.7500 556683.3345 385326.3558 404879.9193 450706.2901
Monobutyl phthalate Monobutylphthalate 342988.2419 256448.6057 627520.3898 629828.5077 696332.7977 19635.4743 1102467.1110 830652.6962 710922.2260 802058.8519 907343.3346 536984.0447 407779.4902 302003.8220 545166.1051 383018.1195 532209.3735 441771.3182 627691.2955 413080.8527 6679944.2980 3968154.3960 679534.8446 530724.1860 795697.2490 562476.5699 8039375.5400 5945539.0670 644257.7473 408795.9803 282338.1206 1652938.1380 1286756.3840 1548148.5280 287916.4249 622090.2566 492726.3478 239868.2150
MW5604750 3029588.0380 1776761.2630 3615740.8680 3024656.6440 4691727.3050 1243781.3540 3254879.0750 2407317.4470 3489176.0760 2580081.5450 3588841.3990 1784987.9130 2404960.6430 1505705.9800 3358607.0220 1718867.3010 3938458.2500 2015279.7230 3283659.9770 1324013.7190 2214534.6700 1688364.7100 2635443.6450 1119967.3280 2633101.9250 1469541.3690 2695862.6110 1402120.2630 2352830.9150 1064773.5750 3573747.8430 3226789.4800 2759410.3420 3496930.1330 26787.7511 24700.3678 22803.1942 22377.2905
N1-(2-{2-[2-(acetylamino)phenoxy]ethoxy}phenyl)acetamide 3908473.2540 2854478.1830 1931296.0140 2188479.8030 8981436.4480 1707055.5610 3682221.8960 2921137.3370 2959860.0250 2669514.0190 8990364.6120 4471412.9970 8892789.1840 5838283.5220 5974960.3820 2819360.0380 6782219.1620 3172007.5870 10717861.5900 4602408.2020 3316628.9940 1910830.7160 4957013.4880 3545420.7580 4265000.7330 2038782.4410 4682508.5950 2394998.5840 3572573.0780 1430974.4000 244037.0248 5028566.7380 5430484.6740 5044318.3490 20418.4561 1896686.3470 2246386.6390 1052706.9120
N1-Acetyl-5-methoxykynuramine 4992188.3670 3013089.7030 4893926.5360 5462375.4700 8653516.7120 3483732.5950 5224765.8760 3940476.6800 4850556.8080 4411975.6300 14059765.8800 8488907.7340 16928903.8700 10369760.6800 13373594.3900 7463688.3550 18573732.7600 10045342.1100 19774854.1100 10152528.8500 5259428.5820 3169718.0920 4791450.6190 3532540.4770 7574414.9630 2543597.0740 5976011.5420 3461980.1570 4847018.9210 2453442.5390 9406376.7550 7452365.0920 7414887.2560 8916847.8010 208311.6888 146334.8132 36622.3360 180259.6876
N-(2-Amino-4-methylpentanoyl)glutamine 5214668.3620 3035839.6650 5475623.0450 4120525.9430 9314733.4360 3452856.1910 6609850.9390 5305427.6790 5113472.8160 4497321.1940 7988690.8500 4637964.9890 9221892.1030 5532459.6740 7779566.2580 5271465.9840 8680162.6240 4726475.4730 11027889.8800 5514716.3220 4946533.0060 2804180.3760 9007375.3480 4637431.4280 9455822.1110 4736697.5960 7610940.0340 4690205.6660 7585003.3900 3740939.2940 7232781.5820 6519969.4000 6883650.8750 7023805.5660 25664.4460 21871.3739 20706.6511 20269.0872
N-[(2S_3R_4E)-1-{[4-O-(beta-D-Galactopyranosyl)-beta-D-glucopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]dodecanamide 1630803589 1366236113 1532624569 1468841555 1468771899 886807272.6000 1688453685 1516366588 1504789997 1431410491 1401850425 1099724485 1664372239 1363953774 1773142844 1419841445 1652367484 1206746459 1845993970 1384773360 1998114998 1757847179 2039851335 1519615245 1740538558 1346410931 2065365276 1828659349 2118553077 1549743732 212786.9179 1616911389 1608558820 1615180232 51628.1636 53302.6095 53879.8824 65617.7135
N-{3-[(4-Acetamidobutyl)amino]propyl}acetamide 4025586.6690 3101127.0180 4752259.2640 4060163.4590 5856152.6520 1744890.7020 5285276.9970 4108116.7020 4586772.6220 4265995.5620 4592343.4100 2763166.9480 3172280.8040 2067421.1400 4289549.6750 2297976.3470 5031691.7420 2664643.7030 3698776.5340 2215359.7920 4270571.8970 3283727.9870 5157904.7120 3181476.8440 5235022.4900 2490152.2190 7582765.0540 4897024.2680 3882409.3660 1804565.8910 5074831.8570 4266746.2320 4456234.9150 4828656.2240 35799.4276 29628.9254 27810.2305 29219.0761
N-(3_4-Dihydroxyphenyl)glutamine 19918558.4800 15030637.8000 44080027.9800 55091166.5800 36793201.4100 13900123.0500 56862580.4700 42356682.4900 83135058.6600 71565769.6000 44198602.4500 27146730.0800 9883416.4020 9248563.4750 18585050.2700 11216129.9300 21341888.4300 15959476.9900 38748529.1200 21635546.5500 32185392.1400 20014502.5200 20883453.2900 10988903.7100 31376501.7000 14722099.6200 50639426.6800 35740449.9100 25585117.9400 14196870.6600 605850.7078 22464616.8900 28386164.6500 24585511.0100 76429.3441 38680.3462 27518.4064 19605.0418
N-(3-Aminopropyl)-3-(3_4-dihydroxyphenyl)propanamide 21190049.1400 19030193.3400 6543099.1280 25877969.3100 58351603.1500 25612926.2000 46219938.6800 53751996.9800 63014527.4400 62827186.0400 25284233.3300 20830533 51051062.2100 41251000.4300 51192853.8700 45820166.1000 27208839.3000 22573859.6400 37984838.1600 28055124.8500 48566093.2500 42029482.1500 45119409.8700 34307415.3200 36287499.3700 26081846.4700 22923817.5000 21529534.9000 58167776.5300 45274032.1200 16278207.6000 52416219.3700 50349645.5000 28814480.0300 110381.5879 99948.5350 89247.3032 80424.4540
N4-Acetylcytidine N4-Acetylcytidine 6969989.4410 4361552.0250 2986363.7710 3350783.8540 6918503.8210 2691153.3120 7875451.3420 6576082.4990 4963051.6280 4481409.7900 5620718.3710 3486442.2050 8150977.3160 4948629.5690 4289661.7320 2291894.2550 2964604.8580 2073643.1610 7327108.8710 4655105.1630 4919670.0060 2933228.3050 12069210.6000 7043203.5240 5809306.8560 3097526.3300 8307176.6380 5344389.0390 9628087.1320 4704691.6830 6846226.2140 6760718.1230 6720504.6920 6834452.4310 26866.9914 51009.2676 43219.6030 53105.9781
N-[(5E)-5-Heptenoyl]glycine 16399790.5600 9280413.2020 12168390.7800 12881032.1400 19428747.2400 6767492.1910 11901463.2800 9621245.5640 14163561.0600 12595609.8200 9303641.4790 5279422.0810 14923569.8500 9358149.3150 10509812.6200 5959774.3930 9665438.2250 6195914.2200 15727860.9800 8577758.8370 20224814.9000 11748794.0100 15118211.9700 7755523.1400 17353076.5300 8236796.1770 14326287.7100 8570886.5490 16049996.6200 7784049.0370 342157.5904 16369891.7500 15589983.0500 16135808.5700 149257.6859 101222.6608 62969.9274 61587.1216
N~6~-(5-Oxo-D-isoleucyl)-L-lysine 6472901.7950 4624544.2490 1558931.1970 4231096.7320 7003340.9080 2459786.7700 4648854.2700 3432076.7490 5017724.3490 3881380.6870 11323841.4700 6504375.0570 13788470.0800 8974615.0610 13054921.6000 7159400.1260 14561034.8200 8636689.3470 18207042.4000 11189828.4400 4926342.6690 3133393.3380 6454694.4980 3772954.3710 6966869.6700 4355400.3340 6657439.5880 4659878.9600 4107495.4060 2516719.9670 8605772.0620 6290682.3900 6355616.1290 7974626.2790 51762.8758 29078.1530 26923.5911 57282.0237
N6-Acetyl-L-lysine N6-Acetyllysine 3684923.3830 2325468.6900 6070840.6870 4552282.5590 5145857.2230 1787549.6510 4301561.3430 3385382.6440 5286114.4520 4389557.4000 2845081.2240 1820913.0030 3019569.8460 1863570.7130 4303008.4710 2392258.1910 3129072.7080 1864829.5060 3089825.1620 1639067.9510 2972726.5640 1818113.6270 3913983.3020 1988798.3080 5739744.9310 2958792.6830 3715466.4160 2320843.8060 5017688.0520 2359311.8370 1015030.9170 3993851.4140 3564490.4580 3876029.5380 33014.9933 64080.6725 32684.3765 27009.4653
N6-Me-Adenosine N6-Methyladenosine 58357802.4800 38185321.3100 53075511.6200 48431825.7800 79894209.8800 30586761.0600 80048581.1200 57135056.1600 73505355.2300 62137464.7900 84497723.8500 49679197.0600 33896664.2400 22710866.0300 59761147.4400 32011665.7600 54887975.0500 32345915.2800 50170662.5100 22087247.8100 94138543.9000 63429068.2900 70669729.1400 36017862.5800 79372960.1700 40263766.0200 68843250.3500 41868425.2200 51019373.3500 23871521.3400 95305965.9600 66041632.6400 63569095.2000 87839738.4800 34148.3701 30159.7246 29210.0848 30226.1194
N6-METHYLLYSINE N(6)-Methyllysine 222519.6857 159532.8161 318548.9703 338063.4581 251219.4992 113036.9877 270667.3852 223330.2748 285455.9652 239703.4774 297536.9716 159511.3502 231102.2888 163876.2210 387594.2173 253344.6698 395932.3856 258027.9953 275973.3519 171211.9283 732183.4387 229077.0230 609828.9234 321730.0838 5856350.0120 2797167.5050 1612174.7930 925222.2873 2509772.4120 1085285.6390 497390.2296 811694.7397 507572.5606 720965.1280 39925.8336 30059.0790 25245.8357 21888.6194
N8-Acetylspermidine N8-Acetylspermidine 199972431.5000 133358807.8000 246757050.6000 227668634 228994081 73398817.9500 248321533.6000 232957426.1000 229320541.3000 197204307.2000 312570367.6000 204958393.2000 194199742 122924591.9000 220579804.1000 112289250.5000 270833405.4000 138877529 258988038.8000 123612937.2000 228855559.5000 138095765.3000 219853350.5000 112106193.9000 350545267 157435945 359863565.9000 221629499.4000 201025585.5000 86371836.4300 242806680.4000 220660065.6000 207020150.4000 239017981.5000 25299.2974 92170.3458 34404.4947 29119.5808
N-Acetyl-a-D-glucosamine 18521098.4400 11187995.6800 39588395.6200 30254206.1500 3116088.6820 12012111.0100 31217266.0400 25208986.9300 29393527.2300 26995763.9600 2533541.8990 15811022.6700 1864402.6540 12907802.8900 23594471.0800 14731824.4900 20354054.2000 15590153.6300 11852125.2200 11909322.5300 408355.3679 10958560.6000 1749145.2520 9147102.4100 20917370.7400 13300802.0500 16794299.0100 12893323.6300 18353076.9600 10338465.4700 10578748.5900 17937580.5700 16629986.8100 13635814.8300 62215.3221 45510.7089 36905.9050 31539.9324
N-Acetyl-ala-ala-ala-methylester 1252669.4840 993619.7475 2075523.9570 1625475.1310 2858306.6350 115785.6725 1852534.9190 1715574.1090 1327516.5230 1358760.0380 1846328.1430 1526899.0190 3802337.3320 4122509.1280 3568606.6900 2814538.6920 2154795.9730 1829228.9830 5970234.2570 6211433.7780 1014759.0030 639957.5077 1766812.1970 907904.2421 2347509.8640 1440994.8910 2124626.1850 1280973.7350 1933513.6360 1297677.9360 3069982.8800 2538096.8680 2469475.8130 2876207.2680 42101.7083 36020.1386 32098.9679 29554.5424
N-Acetyl-D-quinovosamine 2170385.0290 1380273.6370 7116778.8000 6515608.3640 2149956.5540 653211.6937 4670230.9860 4003483.7670 4724902.3060 3449288.2860 2946932.4410 1939195.7640 2032663.6480 1338702.2630 7048035.0840 4138335.8610 3527835.8510 2068012.3430 4521367.4200 2610663.6380 3360857.7010 2132352.9390 2490528.8770 1284554.5100 4295673.8700 2311539.4090 2991055.6950 1761206.7490 1780560.8860 896835.3740 3064950.6470 4117308.8990 2949382.1400 3646074.2560 964614.2285 331152.6993 211303.6674 134435.7282
N-Acetylhistamine N-Acetylhistamine 131782573.5000 82302469.9700 70999246.9600 54901815.7200 106327871.2000 32320402.5000 49389382.2400 36444623.0900 80868241.6800 73555795.2600 53148428.6100 31538929.6000 46261229.5100 28122964.2700 38830367.1900 21126177.4700 46047309.5000 25985226.9700 41838568.9200 21786702.9800 271224022.9000 159309339.3000 159463523.2000 87534944.2600 187861599.7000 94532566.8800 106675125.6000 63629113.9800 123995880.6000 61479663.7400 113281811 105669410.3000 97749433.9600 111245507.9000 41485.8672 96657.1772 33233.3420 77286.0308
N-acetyl-L-2-aminoadipic acid N-Acetyl-2-aminoadipic acid 89697732.6200 47611913.5600 122864133.5000 105598387.5000 111294469.6000 43092644.3700 95392219.0200 64745372.8300 99131786.8600 80983704.8200 92264133.1900 65203803.3300 101206575.7000 57165227.9200 81601000.4700 41229381.9100 87437902.9900 51325488.3100 77098072.0500 47407709 67950159.7700 34701014.5800 76798505.2900 39246701.0400 64813477.4900 35327278.0300 62847955.5900 45683622.2400 43836774.0200 25358574.1200 87327432.7800 74217580.6600 85106958.3000 83603620.8300 47458.8558 47274.3310 52062.2799 69073.8151
N-Acetylserotonin N-Acetylserotonin 13298985.1300 8850294.1680 23361241.9600 26295542.8600 16316459.0100 5747379.3040 15696041.0500 11460875.4500 17419282.7900 13969934.5000 35083928 19379526.6500 30990825.5400 18138488.5800 42960234.8300 24662940.4500 52068169.2300 30568774.1600 47127963.9000 24295377.0500 13024289.0400 7176135.5920 12921557.6800 7770734.1480 17182739.6500 8375994.9240 18498958.6000 10762031.5300 12829965.7200 6095343.0810 24291734.5100 22350081.3300 18837379.1900 23680816.8200 453209.9742 521062.6760 602388.3366 774190.9301
n-Amylbenzene 34132024.6400 20877067.8100 50408374.3200 44570923.9500 29284869.4800 12812278.0100 35420362.9100 28081841.6400 71303584.3300 60983747.2700 13813450.1500 9783496.2600 16552494.2200 10959900.8000 17063150.0500 10693140.1800 9831089.3280 7467971.9600 12829260.6800 8064054.5500 22677776.2400 12595835.9300 27621798.1600 14905264.4900 67661407.7000 39393768.5900 41150662.4600 30369335.7600 44914913.5600 32286941.7000 27721083.5700 21655068.2500 29681053.0700 25506553.9700 188051.7370 195640.9622 2023043.6180 150050.1412
N-Butyrylhomoserine 2012402.3250 1144901.1810 875365.2443 688031.3482 1302352.0010 329109.9155 2025980.8130 1457412.6350 801435.2943 1021331.9550 1278016.5550 952459.4066 1163889.4560 714761.8903 631019.7915 316789.4422 698367.1618 236079.9195 1507389.9280 858760.1647 9312904.9980 5484856.8450 6853885.8240 3558476.9630 4990301.3420 2724077.8910 5660304.5670 3696668.8210 3923935.6530 3182793.8090 329275.9504 3217829.0570 2817956.1420 3143585.2000 120499.6365 123672.7577 30732.0419 35017.8151
N-Caffeoylputrescine N-Caffeoylputrescine 2238022.8990 1532934.0720 1713612.1140 3016301.3900 2820394.9610 851596.1098 2496162.2300 1826098.7600 3430267.9500 2400514.2810 7364154.7810 4266481.0090 7110048.4630 4605842.1840 6838599.3320 3802799.4490 10840143.3800 6051577.0400 10175583.7500 5512010.8450 2454615.9570 1552216.3940 1975483.8440 1162374.2500 2818370.4940 1407744.3470 3184893.8480 1849714.1840 2305983.0270 1149181.0040 995662.8110 3716941.9490 3467908.4500 3651860.2150 208536.4333 320951.7199 443489.9069 609420.3739
nicotianamine (R,S,S)-Nicotianamine 1192436.5380 702023.5408 1124242.9870 1397635.1210 1224760.8080 335270.0937 3804356.0610 2903222.5650 2252707.7370 1931985.1680 4971519.6430 2567161.6720 1971523.2640 1029735.8670 3023540.9720 1460273.5130 3065415.0250 1377870.7190 4122893.8950 1677156.7490 907866.2912 523025.2098 691949.5211 251391.0001 2410041.5910 912199.3270 2026860.8130 1027173.7730 1271052.4260 375761.1148 2448810.7580 2049175.2010 2068376.3050 2338291.9410 24721.7928 21451.0407 19873.5956 21166.2793
Nicotinamide Niacinamide 600982562.8000 625617579.8000 1615724486 973389553.4000 1904693394 824226657 732470274 847010509.2000 682414594.8000 867248313.2000 1206387440 921490251.2000 531475884.4000 434861770.6000 731541374 682859259.7000 975895098.9000 715353117 955864880.4000 784043867.9000 582613889.9000 521113775.2000 702356589.6000 717513259.8000 444032418.2000 650415778.6000 569468701.7000 667931005.4000 415922101.4000 478875270.4000 1591068.9940 1170382523 824197947.2000 1079844918 1531472.3340 1655750.0740 792300.0760 1333588.2080
Nicotinuric acid Nicotinuric acid 3953443.4640 2424857.5430 718429.2291 1633365.3440 1786006.4350 741946.4804 1432279.2830 1189947.4440 3842408.0260 3609318.3750 2816264.5170 1960735.1470 2141098.1010 1397239.4920 2104954.9780 1413943.1970 3335941.3680 2068831.6260 1680205.8470 1045666.0740 5080688.6560 3298391.1060 3632585.8990 2080248.7200 3420165.9680 1777925.1230 3069701.3270 2124199.9130 2511387.6380 1335362.9160 178960.1222 2619789.7560 2854899.5830 2662790.1160 17574.4361 19319.1953 19097.5765 21949.7163
NL8513000 420281.5057 302500.2442 687664.0613 557787.3296 605817.0341 267283.6799 483455.1096 400809.2597 443510.8593 399962.1212 421731.6277 288484.2307 437342.2615 318710.0103 476068.5749 316553.8366 544479.7597 336476.8422 500070.9631 305878.8697 7811249.4340 5265426.9330 8471831.1770 5961197.2490 7926829.0730 5256536.8870 5447883.9330 4097088.2480 4321925.1050 2627897.0170 1475973.1480 2537091.8590 2248051.7290 2470816.1260 242161.3177 49279.6117 138469.8698 166477.8935
N-lauroylglycine NAGly 12:0 19151404.4100 16216411.7800 22329336.5600 24682926.5900 22912614.9800 12973515.9400 20840191.9500 20849326.7200 28882306.8600 20275347.4300 8483581.4310 7166813.2230 14582001.6200 10239878.8000 9587886.3890 6800231.4730 4525276.8520 3871057.4660 7887051.2410 4938971.6060 8686222.5580 9576702.4320 16744367.7900 12893497.3200 24336647.0200 18890867.7500 19818290.6500 17475079.4900 20866907.5400 16897250.1800 169214.9316 13457393.2500 14116553.8500 13632911.4100 74346.5031 148611.2465 6503115.4470 53319.9365
N-Methylhistamine 1-Methylhistamine 952009363 554127268.5000 380498774.7000 288296319 386078632.7000 7593013.8050 415874720.1000 277732024.3000 451636134.3000 4635095.0740 375429575.2000 192784074 222391358 134301863.2000 322737648.7000 118412029.1000 236097573.1000 106563873.8000 267994654.5000 104576075.2000 497223185.7000 266145597 606194569.4000 309901434.8000 501869662.1000 204693491.4000 278090758.3000 220515008.3000 353230213.1000 154665804.5000 354764014 299775243.3000 289739206.9000 340583575.1000 53441.9845 40799.3743 47197.4517 36149.7298
N-Methyl-<scp>D</scp>-aspartic acid 7318176.1990 4125608.2380 4179768.3770 4918430.1460 8079070.9340 2721681.8240 7786587.6620 5833131.4210 8995326.2940 7836992.7460 10008635.7000 5737965.3470 9601996.9710 4304622.0080 11688714.1600 5919962.7920 11594171.0600 5833773.0340 14784324.1700 6856728.6520 6536964.0550 3498625.6940 7065760.4030 2943706.6130 11388529.6100 4835281.1230 8440763.6560 4755577.8550 8661039.5010 3680457.5050 9207443.0750 7545315.1930 7682169.1590 8789688.3070 27279.4249 24107.8518 22901.5204 25665.4311
N_N^-Dicyclohexylurea 15784513.0400 11933444.8900 14271698.3600 12448684.2800 17923596.8900 9250062.5800 14511831.5200 12084619.7100 17622229.7400 13847607.7900 11505655.5400 11405597.3500 17477461.8700 10289233.1900 12052644.4400 7482896.8060 10056982.8500 6933170.1280 8825972.4720 8147528.7780 7967700.5430 5397158.0980 13950683.0300 10187206.1100 18082511.6700 10942236.3700 14698646.6900 10918941.0300 24394217.4800 15755084.4600 299528.1399 10876207.1600 9881394.6860 10699901.7300 347063.4114 311020.1029 297794.3390 353566.8554
N_N-Diethylethanolamine 178263230.9000 100489334.2000 234784329.1000 250365231 490051825.6000 148004156.5000 307262322 231632891.7000 278653555.4000 236083456.6000 1309915423 734651888.7000 371832600.5000 225735764.6000 641859085.7000 354281752.4000 338232581.2000 180806629.6000 233615347 127445547.3000 961018179 502730647 845804398.6000 420872149.9000 672568742.2000 317756497.7000 1245967083 730898172.3000 479821182 226463899.9000 950505.4049 2103785941 1807806774 2024844334 37553.2075 1211392.1860 1346396.1850 1756085.5790
N_N-Dihydroxy-L-tryptophan 2033791.9980 2221011.3230 1617750.9380 2864994.6000 3460362.2730 1151361.0140 2437343.9700 3899808.6170 2360928.1770 3977772.3570 2172930.4240 1839947.3050 2673516.9690 2454237.5210 3149471.1660 2418400.1200 2452494.8270 1623070.9920 2310163.8760 1922993.9270 2436573.8620 2599751.0370 6256098.5690 3495021.1200 1977104.2370 1613303.7290 2394062.6160 2544894.3660 2270215.0250 1427260.9480 6567649.7710 6384909.0890 6042863.9380 6537697.5200 40398.4295 37128.2748 34862.0946 63642.5875
N_N-Dimethylaniline N,N-Dimethylaniline 2611421.0420 230290.9660 3191699.6180 2544472.9020 3070676.2090 143462.6793 4116341.4910 1831499.9320 3029646.6800 2538118.9240 2724335.3920 218081.6699 2714742.3880 202703.7644 3301440.9830 114526.2035 3262954.0100 217730.1000 3359017.9500 192239.4828 2777343.3690 94625.5154 2929520.1430 141804.5164 3439231.1930 153021.6132 2796679.0550 200222.5707 3096032.9350 179790.5775 323437.0937 4650525.1470 4967346.7470 4731806.6830 90089.9890 69998.3249 83555.4450 79893.5934
N_N-Dimethylglycine Dimethylglycine 24923606.0500 13693248.2500 79196808.6300 70845526.2000 46862083.2100 14943526.4200 89397906.0400 66125553.9200 49632283.1400 43367910.2600 64796512.3500 35254862.2300 17826301.0300 10795225.2800 47181022.2600 23474954.0600 36631795.0200 18957914.3900 30837305.6200 14449218.6200 35873087.3500 20716432.4400 25055830.1400 11203819.1400 60839571.7100 25538834.7000 33609859.2500 19057263.9200 29891465.3200 14478813.9900 837660.6590 46126700.2900 38561108.0500 43802301.6000 45946.7072 207258.2232 167204.3885 138179.4096
N-Nitrosodiethylamine N-Nitrosodiethylamine 4043430.8870 2564030.2760 114646.5123 2652842.6350 2300020.1530 923301.9859 3041190.5470 2390401.4810 2764199.8620 2463801.5380 2118608.3300 1218477.8210 1652709.8510 1186851.2210 1667202.5780 1036582.6710 1719187.7660 1041370.3950 2229339.5030 1333100.3650 5043210.5570 3421064.8910 5468218.0830 3060828.4530 6571315.2160 3590929.5580 3954436.8490 2587991.5930 4217657.1170 2159156.6910 4645774.7610 3213462.3070 2952314.1850 4308929.5150 29190.1058 24109.5549 24443.2227 21205.2582
N-Nitrosodimethylamine (NDMA) 48540636.5500 30099765.5500 59966638.6400 70477710.2500 50082644.4800 21569694.2600 64308665.5900 53690184.4600 60503688.9500 58148865.3000 39564120.6900 27613589.9900 47876694.2100 32799220.7000 72982875.3600 46604377.1900 64614818.4600 44534058.4500 56149250.5500 41099321.1400 37996652.4400 28232536.1500 40443639.4600 26892063.9400 52149676.5600 32288509.1800 53768820.7100 40558540.1400 41605910.1700 25908699.2700 615801.7212 22078426.9600 16392146.9200 20539479.6100 83608.2257 74842.7426 54901.7785 55125.2512
N-Nonanoylglycine N-Nonanoylglycine 581447.2278 10510797.6500 709334.9921 22909718.3800 997622.8308 6967934.5960 1013164.9440 14044753.8700 2611001.3830 4998072.8120 361718.1862 10206260.2800 548715.8337 5005824.2320 411316.5118 6460827.5030 263167.2779 3995696.7240 226547.3695 5735537.8650 2120277.2260 16076204.1200 435753.4556 13091117.1400 2417213.7870 24115200.9300 930541.0981 22500814.0900 416225.2421 19599080.7300 1782938.2730 229017.8898 1041877.7640 1782938.2730 189855.9811 263821.3120 184053.6902 135474.2656
N-OLEOYL-4-AMINOBUTYRIC ACID 26261670.1500 18641976.0800 32691821.1700 30980941.7400 29531687.7500 16185901.6100 27940562.3400 21239133.7400 33009001.5900 31589694.4800 17173533.9700 12539288.3200 19807069.6500 15890256 21229232.9000 15866341.1400 29997730.7700 19602601.3900 24551285.6600 15079590.5300 24639620.4500 15954629.7200 23748535.1700 16347320.6200 25035903.8500 18263397.5700 30232944 24148997.0900 22637693.4100 15312240.4200 21070627.9200 19592870.9100 19736660.2300 20694882.2600 127113.6019 205333.6165 106465.0017 114739.2081
Norketamine 149966.1071 73945.0721 20102863.1500 22210285.8900 79666.1592 90318.9206 2207424.7570 1334766.6550 29593033.8300 25588595.6600 4998957.2940 125276.1454 791044.0704 371238.0305 4730606.3440 2098276.3320 1312335.1180 540496.2428 1309066.1240 400751.3048 222280.2740 216756.0514 73258.8244 65056.5326 87083.1509 76717.9588 82670.5178 79387.4633 132425.7287 72095.5386 2629779.7270 2542167.2280 1956407.5100 2658784.5970 20591.1001 20395.9219 22017.8874 20395.8089
NP-001346 7488424.4850 6064883.4140 7258156.6250 9357073.7500 9852199.5750 7814039.3160 8062592.2050 6234732.3610 6784194.6280 6449592.3160 15039608.5900 11152854.5500 15524994.6000 12562036.8100 15044040.1300 12646016.9600 15371938.7200 12561813.0300 15997960.1000 14375293.7600 7889311.4290 7371573.9410 7596894.9630 7336348.3920 5485913.8820 4974219.1970 7517505.9450 7369130.4520 5575588.1940 4743884.5100 128700.1893 7500483.8820 7569708.2320 7514757.8740 24064.4104 24249.6205 25231.1004 28390.7221
NP-002322 6554244.5190 4561733.2070 7884560.0490 8046230.2220 8526333.4070 4376245.6580 8294077.0840 6135318.8610 9902646.8570 6889615.1190 7330750.2000 4684686.6770 5088318.4420 3532356.4650 5781178.4170 3858794.8970 4480584.8090 3285518.5110 5046585.3150 3428504.9050 5473569.6370 3160861.6950 7351953.9010 4306868.4670 12151318.3800 6842211.8290 8178386.5570 6077555.9850 7238100.4910 4605922.9280 108333.1896 6623523.6260 7212606.8010 6769621.2730 52596.2116 48145.2867 44919.0514 69591.9782
NP-002854 11348129.4100 7516631.3990 12056538.6000 12358531.1600 11369425.1800 6768559.7260 14052641.6700 12023431.3800 12122403.4700 10694054.2900 11696202.3100 9784825.7040 11333125.5000 8149919.4930 13832037.2100 9927734.2720 13419440.9500 9535977.3760 14218521.5000 9953211.0620 9721872.1380 4543146.1570 10448946.3400 8149368.9500 10848484.5400 7489114.4870 12478937.2100 10458836.1600 13028148.4200 8012194.1440 427880.2042 7858198.9350 8146495.1020 7931733.4000 432355.9464 277846.8773 207910.6726 51119.2899
NP-004036 28663655.6800 21036527.9500 35040995.1500 31603936.6100 23677502.3400 14910075.1400 30067336.0600 16559371.6100 79052920.5700 81475257.2500 14489804.1500 9685521.8630 4509665.6810 14089602.1500 3602885.5430 8192742.5270 4556683.3570 543147.8702 10847679.6100 949846.1128 28102139.6700 17953049.9500 29861045.0800 21483094.0200 46875224.3300 41136768.9500 44643980.0100 36189469.0300 41857830.3100 40190681.1800 36492906.4600 24269916.4700 20368678.8200 34573890.7000 31357104.1000 31110450.1000 28569745.2500 36625005.0400
NP-011548 8918174.2070 5098687.0110 6945152.7500 7028285.2400 8195848.0610 5717718.4880 8470421.5730 6563443.7460 7405692.6410 6722751.5020 9698630.4880 6823659.3390 7064921.3750 5033059.6620 7773413.2350 4761036.8120 6340349.2140 4773663.1810 8363264.0190 4762621.3730 6125007.8490 4883149.2370 8243375.1910 5978652.3450 9056309.4720 5782310.0770 9414657.3320 7152860.1330 8260467.4640 6055475.8190 178095.6873 7173063.5150 7516128.9020 7235555.3040 146527.9534 201428.5091 176018.5714 193997.5183
NP-016455 309046.7003 232437.7380 260395.3079 334410.9654 349997.6407 156193.4169 381356.9291 326314.2532 341099.5045 318031.1390 278697.7291 172453.1928 432317.1143 215737.9188 310389.0299 213841.6785 314652.1557 203306.6723 435741.0235 258084.3005 1195545.2290 744761.1816 3604241.3210 2015107.2590 330959.0453 207547.6695 469110.4162 291993.8595 564314.3118 469757.9983 273214.2823 748551.2641 715593.1654 740126.0539 35897.2609 32077.0832 27259.2860 27304.7917
NP-017152 4907959.1890 3125312.9310 4275477.2130 5208092.8180 9907654.7130 1189350.2560 8713106.2970 3968043.8320 5944106.5960 4295707.1540 100402.6897 337614.1254 246161.5052 89343.6896 206478.5205 486004.9820 1201838.2700 86853.0043 764078.5064 273399.7087 5122119.2800 2050737.1350 5519402.7650 2519711.5330 4192593.4060 1404623.3300 4564786.2180 3269320.6000 5274503.7230 1614891.7340 278570.2765 4244742.9330 5780757.0160 4639045.1510 1515752.3590 68118.8021 805251.0512 70104.6841
NP-018660 266230417.4000 196709401.1000 356970377.6000 849308312.8000 506044690.7000 296932274.3000 263587153.5000 484177714.6000 607851930.6000 1424011289 125976309.2000 153160099.2000 79758591.6200 62100583.1400 142278272.1000 156218881.3000 44394479.3400 99970808.3600 170084752.9000 81410983.6800 224158713.9000 216070558.5000 228630026.9000 278637109.7000 1284614987 242500358.8000 373087203 329767238.3000 830305050.9000 385849112.5000 343604460.6000 493591858.1000 464536464.5000 387737552.4000 10543130.4600 9146362.7660 8129404.6840 8564018.5090
NP-019722 4076410.9840 181283.3988 101729.3021 99052.1353 4498558.4780 40576.2036 157536.7584 133745.4421 155026.1339 142008.2365 2855928.9380 111732.4040 3410161.5050 3698553.8910 1590730.6090 82335.3698 54627.6157 1476578.4540 2690791.4420 40580.2954 281161.1377 192100.2015 335220.9412 250117.0532 187926.3958 107235.8827 2681770.0190 132097.3934 133743.8066 81052.1935 3663967.8760 5678816.2210 5629392.2040 3634911.9020 30170.9890 39401.4450 23183.1611 35397.1503
NP-020014 23365082.0600 17553636.1400 35852969.1700 38718514.9800 20523679.3700 12272622.8900 24480580.7200 20148521.4300 45871657.8500 43627682.2100 8858303.1210 7140335.0140 9387175.6640 7362444.7720 11405161.7800 7256566.9870 8069500.4340 5891220.1050 9384325.1460 5475236.3020 18863757.2200 12950894.8900 22712228.5300 15875442.8600 49102426.1500 33946606.5900 29780711.6200 24031148.8200 33293392.8800 20374611.9800 14678848.7100 20588434.5400 19144375.2300 16771996.2800 161009.1835 171549.6968 124470.5701 135287.8144
NP-020454 12332330.4000 9751859.1890 9672695.5550 7320325.4780 14741461.7400 6777481.1210 7219344.9280 5896205.2100 9099097.2580 8670134.3750 8740542.3740 6444758.4210 9168482.6090 6347325.8510 6692779.6480 4921759.5350 11192860.6300 7531849.6810 11808106.0300 8388486.4700 21277251.6300 13953458.6400 15755160.3800 10595430.4500 9713691.8840 7427229.5010 15132212.1800 10113641.7700 7684228.6280 5488182.0570 18942891.1000 10812205.2700 12663330.4600 17322215.1200 109936.1564 216883.3694 365683.5962 141343.6916
NP-022512 47528329.7000 21448603.2800 101113561.6000 54832670.3000 79502511.1100 16751160.2100 87731222.7300 44668357.9300 93261319.8200 76288697.0600 33007313.4400 11914227.6600 35336744.5900 19735819.3800 72912518.6200 37699087.9300 51644232.8300 25183076.6700 45662011.7000 18834645.0400 26231768 17069963.4900 41725617.5600 9500557.4440 36656901.8700 21756519.1100 30274533.6400 24685450.0600 55660798.7000 22880603.8300 60110153.7800 79508863.9500 49983694.7100 67411297.2100 49182.4319 61857.9079 31761.0266 49509.9158
N-Phenyl-beta-D-glucopyranosylamine 8345415.0020 4444008.6360 23021824.6200 19035546.9600 16243948.2500 5207457.2220 2995098.6460 1371891.3820 23874238.2700 18921482.8400 623365.1151 307909.1998 4156443.0950 1737960.2750 15427260.2000 7843783.5560 7525121.2040 4483686.3920 2759452.7120 1652636.6140 37151252.2200 37253918.0700 105185716.3000 22904618.6400 4930432.2740 1888707.0030 56820753.6300 47606094.6300 4229252.3400 2040629.7260 338266.2535 21863976.4500 33966926.0300 26370677.3800 71907.7999 34650.6547 24055.1387 16219.1588
n-propylbenzene 11780405.6000 8065756.2730 10322205.3800 12145550.3100 11642626.4600 6292405.3520 12152841.0400 9958987.0680 16309203.3300 15242376.8300 8674930.3540 7016936.2450 8711040.9390 6669527.1240 7313825.8510 5749501.1610 8165266.4800 5480900.4120 8802193.5380 5342688.2790 7692654.6840 5518569.1020 11039801.9200 7073495.0440 16333430.2600 9371466.6700 12171917.9300 9949344.0020 14043260.5200 9200853.2270 84430.8853 10469681.4500 10455556.5300 10466804.9900 106130.7551 79798.6331 85203.7310 115003.6321
N-Stearoyltyrosine N-Stearoyl tyrosine 295074858.8000 263016835.7000 303865524.9000 250753279.3000 260768111.2000 167698639.8000 342268978.3000 289362198.4000 277543909.1000 294889904.3000 363295004.8000 301235783.6000 329912376.8000 270565414.1000 223699379.6000 189236734.4000 430351213.8000 332385420 408300584.4000 358326600.8000 122321320.4000 107702432.7000 152512417.1000 113688525 107291766.1000 82261770.6600 191579336.7000 158963935.8000 170093231.3000 120335820.6000 213033429.3000 235930765.1000 211787448.7000 220850864.6000 22703.3365 27962.2448 52991.2093 32072.1675
N-(tert-Butoxycarbonyl)-L-leucine 6337370786 3963414544 7419652079 7168000195 6364005772 2060656030 7872176907 6206625004 6902112452 5902430629 7065131118 4267249871 6888170135 4371787599 7869551235 4798777072 8299213972 4559146734 7355239899 4021961020 4415473836 2791757847 4082300841 2331944821 3401738543 1702334244 4945603557 3152342346 3958561841 1961518040 6987588479 6411513601 6058263856 6858563401 699210.3095 176165.3515 156820.8001 157336.4089
N-Undecanoylglycine N-Undecanoylglycine 374176890.4000 64277959.4600 381716791.9000 348526423.6000 266530938.4000 45417152.7500 280196942.8000 210831723.9000 692291195.2000 562683028.8000 186937907 21965673.4800 126761786.3000 65048656.6800 60608528.7700 13070418.8400 52032795.2700 11696269.3400 96148320.4700 817815.7622 307941086.7000 3459010.8790 357986128.4000 2771490.2030 533562216.2000 9159982.8370 479303773.2000 73232256.3300 427388780.1000 1670720.2600 347993724.6000 212368921.1000 207395064.2000 347227592.6000 15603916.4700 15121421.1700 15797714.2800 28386054.8500
O-[{(2R)-3-[(4Z_7Z_10Z_13Z_16Z_19Z)-4_7_10_13_16_19-Docosahexaenoyloxy]-2-[(7Z_10Z_13Z_16Z)-7_10_13_16-docosatetraenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine 11270814.1000 10770267.0300 9077243.4340 4450957.9560 8534267.0830 152629.1687 12432256.6000 8457967.0160 7709794.7090 2217218.1670 5289262.3740 8836388.3060 5800267.0740 3998097.7340 11295344.1700 13043424.7600 6040581.0460 5787773.4790 10859502.1900 5174377.6370 33932014.5000 31100521.3900 21162918.6300 2656525.1190 30073341.0100 143156.2522 29661591.3900 20998569.5800 30824154.8700 1709097.2540 878925.9198 16105834.1200 15880785.7700 16076812.4900 20006.2157 23546.9930 26692.9984 38590.1874
octadec-9-ynoic acid 9359833.2880 7502649.3510 12026155.6000 11146238.5300 12148689.7200 6658502.7760 10207039.1800 7765942.7430 20379732.9000 19663029.4200 1927371.9760 1272612.1560 1714319.0030 1271437.7380 3506670.4080 1965045.0180 1788343.6320 986909.6465 3553641.7300 2751508.5430 4820100.1730 5450899.5210 8709466.4070 5189451.9010 25505708.5300 15833059.1200 14764878.2600 11920391.8400 16911797.6100 10072858.2600 120718.0241 7596730.4960 6684367.4650 7380436.8920 146297.7872 109697.6453 128006.4283 136019.4980
Octadecanamine Octadecylamine 115091602.7000 50527238.9800 130024305.9000 78117097.3700 62053784.2600 6597011.3960 80828622.9000 86359393.2100 87163795.4400 73808472.7100 108924200.8000 38450509.7900 163960661.5000 55699747.8700 161430518.5000 31497546.4800 108336075.2000 25754954 185439549.7000 29588667.2200 72507849.0400 28615659.0300 58863874.4000 33064002.7600 92530073.7600 25989830.1400 107970767.1000 40202179.3500 84860286.5200 35775576.2800 4892977.1950 135623834.6000 91384965.5200 136770015.5000 7021878.2730 9302559.9080 8564528.2790 20718478.6600
Octahydrocoumarin 17877041.4000 12203484.4500 25649725.8000 26684693.5800 21272304.7800 11128381.3900 24464120.5800 19597729.9600 26489802.4500 25172160.2200 14645164.2700 10733111.8500 11127447.7800 9153282.8560 15973808.2100 11126396.1000 13291288.2500 14288680.2600 13204647.8200 9329242.2860 25915356.6000 19054435.7200 18132614.4800 13339025.3600 38715377.9700 26822382.4600 21071990.1200 18645223.3800 22561055.1000 16079168.7500 560789.1169 20903680.6000 18980648.9200 20397293.6800 534354.4926 374016.3824 552296.3407 9245598.3360
Oleoyl ethanolamide Oleoyl-EA 7312160.7810 5417339.5490 7489627.2030 6830185.2750 8332885.5960 4970324.3780 10896966.4700 7802918.6500 7985096.9030 6934987.3500 7997736.2270 6204668.9480 7988361.6370 6861924.1230 7229774.3140 5217984.1710 5346423.9750 3603611.2920 8536258.9140 5524296.8150 4833306.2740 3346317.5460 7489615.7120 5780621.0260 7076594.4190 4736347.9680 8588931.2090 6791412.3540 8074186.9910 5921947.0740 59967.4176 6858854.8590 5593379.2040 6582815.6190 57514.6856 167464.8653 99057.1254 56878.2471
ON1225000 10968412.3300 6844164.0980 15055999.6400 13482916.0900 11458633.0300 4061300.7350 14203178.6400 13190136 12197431.7400 11046422.2200 12747007.2800 7926067.0430 11766325.3200 8197998.2350 15379396.0700 9010345.9410 15301909.5200 8392308.7980 13500399.7300 7317350.6440 5656679.8590 5156116.1630 7532005.5310 4062929.7960 5898772.4050 3009852.4600 9036895.0810 5617981.8930 6707916.1890 3694050.3770 282946.5531 11804896.4800 10684845.1700 11535800.6900 41653.5793 38087.9756 61418.7352 58088.7499
oxeladin 6234702.0590 4142528.9750 4568592.9050 5381747.5600 3526355.3720 1454370.9680 6163248.5730 4442680.3480 6179128.4080 4499216.5190 5692020.2950 4026244.2780 4436309.9320 3285060.0770 7278392.0230 4650529.6380 6390753.8770 3949436.5580 7658934.1880 4147302.0770 2094509.8630 1706232.6250 4999219.4030 3375019.3720 6520576.8640 4437842.2920 6603034.2970 5028885.2840 3420074.5570 1811686.9360 5341741.3650 5179242.9280 3570184.9690 5212178.3520 71461.3688 55408.7005 46901.6940 40810.5877
Palmitic Acid Palmitic acid 944173.7686 931278.8972 1298302.7630 1764404.6370 1737910.6730 1418573.4460 1294028.8350 1130008.0950 5593507.0970 6121794.0170 1419618.9140 833513.6021 916664.6622 474707.8121 1186590.7880 468139.3313 1767671.6430 1650456.3320 1898189.6700 2019447.0150 2523538.4190 2925016.3460 2253708.4980 1501227.3070 7501405.2680 6861031.7500 1743061.0090 2105001.7420 2891122.3840 2613225.1660 83836.7115 1673710.2880 1715963.1440 1681414.4460 152545.6369 182038.9975 172912.1791 194216.0640
Palmitoyl Serinol 4816917.8030 2588269.1480 2658321.1090 2339473.6560 3813593.9580 1837224.6200 4276463.8440 3136938.2930 3184201.1780 2730485.7240 1359034.5790 1000362.6030 2487675.7080 1639993.6450 1842849.3320 990182.3552 1845000.3000 888989.8554 3485208.1010 1883597.4120 2219332.4150 1604607.5580 3608526.5590 2186688.6590 2351575.1850 898710.1103 6016711.9700 3571818.2970 2389484.4820 1537253.4520 45606.0903 2402930.9830 2569222.9080 2437892.6200 33364.2915 31859.6530 38558.0182 343477.2264
Palmitylethanolamide 6532144.7970 4216316.9390 6126136.8600 5783948.7000 7296836.6990 3693452.1000 8987603.4760 7081126.5470 6613707.1230 5680927.1800 7531880.6330 6163234.0870 6418301.1340 4636375.6070 8474127.4750 5817389.1940 8589233.5070 5027101.9650 9275745.0100 5851333.7770 7168370.0750 5126277.4740 7256571.0250 5332745.1170 6170633.0470 4318217.0210 8069935.1590 6900412.1860 5522826.2190 4008852.6830 253476.2288 4994275.4710 5674715.7250 5152131.8750 230018.0077 275192.8738 250389.3720 186152.7662
PEG n10 8329385.0340 6746525.5330 51829044.0400 57728809.3200 17353587.6400 8839894.4600 11039988.9200 10489388.0500 43309218.0600 41421163.3400 17009657.9000 14676503.3200 10598530.4000 8338998.6140 18673678.6600 14940489.4600 15357866.1700 12193869.5200 16479863.0900 12085026.4300 75776636.8000 62410661.5900 32582190.5900 23210639.4700 25815245.1700 19882226.3600 62179198.9900 49501223.1700 26241012.1500 18453028.3500 33589548.2100 27661505.5300 27304399.8100 31794067.2700 226464.1999 133649.8219 139972.2877 13837.1406
PEG n11 6811104.1710 4877965.1000 47172952.1200 52339217.4800 14270043.0800 6347336.1680 10280273.9100 9181955.1280 40334628.2400 38907862.7400 14791032.7400 10786884.9400 8108885.6720 6845222.2980 15472292.7100 12004893.4700 13481848.3200 9458920.7240 13847737.8400 8985068.5690 68058057.5300 47072958.5200 27397183.8200 18141999.0100 22096555.7600 14084948.4300 50058758.2900 37869184.3300 21541284.0600 13439305.1300 25368539.2000 23986697.6000 21632890.5100 25052922.2100 122557.8905 93580.6711 76708.4628 79895.9494
PEG n12 5629965.0120 3696168.7750 42326051.4100 40988761.4500 11949636.6800 4512675.7500 8722706.4410 7253349.2060 33194052.6400 27555702.2600 11161664.3700 7482324.5320 6612375.2410 4843833.4970 13540073.5600 8278284.3610 9538231.8180 6506302.7600 11526077.2000 6741960.6460 47298913.2300 30717745.2400 20434819.2500 13427842 18291003 10036548.3000 36126936.1900 26402546.1900 17000864.1400 9195752.3490 19645529.4900 18414697.2600 16406667.6000 19326365.0300 57584.8944 25600.5455 28766.1468 27861.9884
PEG n13 4171367.7780 2454078.1490 31612632.8900 29423951.5000 9418492.0920 3509672.3780 6793781.5790 5168004.2000 23539795.8300 20505471.6000 7620418.9390 5838543.8440 5194798.3240 3351277.7030 8988264.2190 6446618.6650 7241478.8040 4960025.1960 8086093.6680 5005040.3030 35646625.2700 22695758.5600 14885122.2700 8795268.4860 12268849.9900 6641268.9070 24613054.1200 16113443.5200 11646370.2400 5876795.9030 13367035.5900 12939117.8000 12088029.1500 13265217.6200 19816.8278 18456.0753 16842.3957 16195.3152
PEG n14 3078308.0790 1874759.0530 22345103.4900 20993316.6800 6992929.0220 2057109.1840 4290414.0750 2327550.6190 16303736.5600 13863283.2500 5353266.2020 3472703.7280 3202134.8060 1748500.6360 6131029.4270 3662713.6450 4601272.9200 2734637.8640 5669413.4520 3244173.5670 24359739.9200 13715625.4400 10247225.2500 5402294.6770 7885746.7110 3322202.1090 15449834.9400 10688031.2000 6855448.4210 3504016.6190 7721304.2400 7565753.9280 6602363.9630 7702138.6640 19058.0528 16864.0356 15913.8573 15132.7666
PEG n15 5550477.7720 3584659.9000 40823726.1200 38365653.7600 12484468.0400 3643934.5470 8943418.8630 8225194.0770 29955276.3400 26009524.1000 9556457.9870 5918592.6280 5305207.8180 3398524.7660 12704593.6000 6945293.2810 8897839.9750 5575737.6360 9792265.7420 4937085.1700 41005485.7900 25658071.2200 18719907.4800 10388214.0100 13418797.4100 7107764.2300 26462101.2700 17586694.0100 12323042.0800 7503493.6470 12529030.8400 15217841.3700 12995629.9000 13486251.1500 148766.5209 35109.3893 94183.6781 67068.1318
PEG n16 7679869.6750 4944639.8260 41333102.3200 38545126.3900 14575366.6000 4590201.2290 9577801.1380 8564530.8610 31572158.9200 26460414.9400 10583066.9700 6840191.5270 6501856.9010 3796557.0650 14156231.6100 8053638.1230 11346753.2700 6016667.2800 10159087.6300 5387126.0260 48125248.8800 27979540.8500 20192183.3200 10575567.8500 14547013.0600 7741924.8470 30413900.2900 18458368.8900 13350744.2000 6578000.4630 17139123.8200 17932763.6100 15212927.9100 17552414.9200 40964.3984 34162.7653 31678.7438 60881.0243
PEG n6 5596824.4330 4930934.3030 15268175.7100 19199007.1200 9438661.6320 11022877.5400 8013113.3850 7889530.6160 12609157.7800 12875134.6500 4152894.2290 9503795.2410 5062925.7810 5660400.6070 10997849.7100 12555325.2200 8914443.8650 10368748.4900 7024559.7570 9404069.9470 41797029.0600 52043362.4400 19727204.1600 22490563.0800 12434817.0100 15175690.9600 28024791.7000 31853828.2900 12396416.9200 18787504.7200 18394999.2900 16779562.6900 15886289.2200 18030140.6200 3689225.1080 3459042.3640 3474403.4260 4626394.7190
PEG n7 6648044.0180 7344324.4240 25315824.7000 29374455.0100 12878494.2500 11824239.1100 9964297.2240 9051902.2610 21702471 24759816.8000 11554640.1500 13579384.6500 5371635.9850 6078266.6850 15413178.4000 15111760.8500 11778319.9800 12883247.2400 9052330.4000 10893156.9200 46795071.4700 54865331.5600 23301998 27850269.6500 19950082.3000 19554449.3800 41281328.3900 43365804.3200 18073193.4700 21047312.3200 26534213.7000 19165407.3300 19178404.3100 24459065.6500 35549.1175 35713.0800 33420.2496 53769.8996
pentabamate 6633219.8380 4466845.0620 7308438.6800 9369111.0010 10664013.8000 3293513.6040 8285710.2220 5819502.7010 9275879.7690 8099658.6340 18472304.0300 10861013.2100 17068991.9700 11424155.3900 16084379.6600 8859890.0930 14731356.5500 10756948.4100 29744945.0800 16125440.0300 5494262.8920 3656831.1060 7971215.7240 4106231.7880 15650520.2200 8386869.2710 7807488.1360 4785661.9620 6990866.5370 4735620.2590 13352708.5200 7536004.7800 8855058.4150 11566929.0200 381661.6783 34377.9451 31966.0819 253203.5321
pentahomomethionine Pentahomomethionine 2570920.5800 1458735.2140 97247.6103 657841.5217 1761078.5520 617896.4947 5721306.6310 4119594.2290 972450.5856 720178.9159 8627396.7500 5709008.8310 921375.4285 479714.2775 3193394.7280 1841856.8650 1636134.9340 862755.7691 1688355.1150 1183337.7720 2870395.1400 1690892.9190 1948618.8230 1085625.9610 4088871.8510 2343171.8830 2251953.6150 1643763.5040 2233033.5240 1173311.4720 205672.2237 2210293.2300 2180120.3300 2202831.2920 30436.1692 91855.2054 27057.2032 25939.8707
pentetrazol 11347620.4600 7037097.3820 22530924.0500 15672822.0200 16970377.0900 5038549.2840 18960425.3100 16807009.0900 20711728 15584014.4500 17456212.8300 9578191.6870 16411793.9900 10594340.0500 26042861.8600 12825472.4500 18449601.1800 9201468.3960 22176070.4500 11899296.7700 18997487.9600 11055353.6300 13526691.9700 8004474.7400 14513109.7800 6830981.8480 17574850.6900 9357795.4840 14195691.1900 5910280.9590 25608555.1600 18219001.1500 15165940.9700 23617510.7100 46353.0400 36551.6629 32984.8531 31096.0746
pentobarbital Pentobarbital 3628497.4820 2433308.4010 1443416.4000 2509806.7260 531071.2074 249845.1793 2113616.6230 1548638.8120 2571298.9750 2065525.8230 2478307.0160 1982186.3900 2582868.0430 2264956.6740 13770391.4800 9559357.8620 5534287.0510 3427974.5540 4219651.3960 2829697.3670 2179162.7500 1809630.5460 1951548.4290 1150628.5010 1824653.1140 816061.7743 2423798.9290 2010538.5710 2315931.0580 1437983.5430 99870.9309 2697333.6430 2437931.4800 2613341.0960 104498.1329 72310.1393 57887.0905 45443.0327
Perillartine 820313.7428 405231.4362 568292.4765 435603.4800 765301.4278 200361.2491 675520.7108 562297.8810 925502.1999 720924.4703 1762789.0240 911530.4611 638073.9629 371620.8963 933646.7179 733429.3874 395064.3630 373817.3420 760522.5027 487148.1739 6194407.1810 3681315.9470 3314068.1760 1786870.3370 2631386.0240 1696917.1120 1998257.0360 1256770.9670 2192696.2080 1093392.2230 203657.4466 2179183.5260 1937301.2920 2131189.1770 26628.7523 26818.4081 25811.8269 31359.0782
Phenacetin Phenacetin 3242221.1620 1820492.8300 2638419.8230 2487472.6370 4471432.1400 1055664.0310 180833.0340 240492.8142 2842329.6260 3266084.6430 3839919.7550 2170122.3090 552128.1164 70845.7704 4680073.0400 1868365.0770 2880035.0330 1046637.9610 1657506.9630 644353.2348 1401574.1230 347356.7651 157912.2911 73786.1745 765264.5779 154835.4387 1276976.5160 123713.3083 140976.3728 86926.7772 570593.2806 2454076.8490 2223523.5450 2379167.0120 43156.5449 52382.9574 22710.7844 17225.4609
Phenethylamine Phenylethylamine 25024510.9900 16250822.4900 20432432.3800 16790113.1900 41170507.5200 17822237.5000 25687400.8900 20810895.7800 22997635.2300 19322152.7000 19935756.7900 14115522.2300 23859042.4500 15967019.7400 13329485.4500 8129374.7410 24371956.6400 14244911.0200 18017135.2600 11218978.3700 16341818.3100 11114231.5800 24389587.9700 13340668.6400 12970085.4300 7888197.4870 25163388.1000 16042291.7800 21536327.3500 12036829.8800 169164.0173 26843438.1800 24152122.7100 26120387.4300 309847.0699 227589.0526 198112.4146 231224.1740
Phenylacetylglycine Phenylacetylglycine 60868564.4400 38182154.5000 38570714.5400 70264229.1300 84858602.6500 25554492.7600 134971637.3000 99346163.5100 138565951.4000 116307577.5000 55093360.4100 35420967.5500 77961055.1700 48985461.2700 83990533.3000 49623911.3200 61231477.4300 34173450.0800 56939123.6500 31130293.8100 108197959.9000 66505448.5900 84690993.8200 45586421.4300 55075006.2700 24002668.1900 51686296.8500 31483906.0200 95341067.3100 49775550.2600 110178196.6000 88943608.5000 79382651.2400 105033162.6000 359917.9112 333006.7920 335182.0170 322388.6098
phenylpropiolic acid Phenylpropiolic acid 3087522.4250 1680167.7090 2711487.1530 2839903.2690 5415242.8430 1422142.2960 3571787.3970 2749687.2680 3591894.8110 2962895.1100 2760560.7350 1483094.0590 2487670.8740 1454696.6460 2285285.2740 1203427.0240 2294835.2160 1113142.1510 2886944.9230 1066469.7030 3535679.9450 1837691.2240 4430438.6830 1565428.6090 4456671.3120 1937823.0900 3754251.0740 1902666.7070 3657908.2410 1391365.0980 3502302.4790 3264042.9360 3164367.3500 3433075.3700 32378.7657 27118.2985 23958.8763 24291.8988
p-Hydroxybenzalacetone 6259133.9460 4401166.1970 5186464.9540 5399802.3900 6940971.3450 3840701.5900 5678007.3260 4824777.8170 5669482.2040 5064527.6950 7896950.2980 6421538.4790 4896264.2510 3959963.6520 5375995.4970 4265723.4270 6019465.3900 4392981.4590 6826118.2680 4546090.3170 7235406.6360 4644669.4480 6250088.9590 4777722.5830 5357332.1390 3936943.6860 27563454.2800 22215661.5700 6854277.4310 4132943.0710 317720.1949 8903400.1150 6745047.2790 8495161.4230 376350.7654 270509.3286 233176.9095 282887.2340
Phytosphingosine Phytosphingosine 2324247.1260 1382295.1490 4841283.1790 3826549.4670 1890278.9770 514137.8474 5362419.5590 3123265.8990 6495273.7530 4035704.2660 2246679.8440 1347027.5790 2845387.4620 1506937.0280 6218002.6380 2817640.9430 6673538.2310 3310186.4370 8808301.5520 4019304.3820 2062349.2480 957128.4545 1763976.4460 703224.7476 5783418.3990 2163680.6350 3410477.7550 1288799.5800 3064855.7820 1135789.1900 831016.1052 234532.1576 182662.8011 218742.9268 111971.6579 44325.7086 39245.6856 35545.6597
Pipecolic acid Pipecolic acid 73318119.3200 38459551.4300 105160045 117938361.2000 82444006.5500 19938175.3700 146425883.1000 106086916.4000 112080641.3000 94198353.2400 80628894.6500 40528166.1300 60364829.5000 7095457.1670 111726444.7000 50525773.9700 113128440.9000 47891703.5000 78176757.4500 31499342.7700 153641771.3000 82443053.3100 103961167.4000 38720606.1900 150762477.4000 53208509.9200 105241144.4000 52193428.7800 112971109.3000 43020051.6700 916051.5904 115857707.2000 100067911.7000 111267333.6000 199406.4682 142450.3870 122829.5679 105274.7113
Pivagabine Pivagabine 18077156 275248.3762 54300818.3200 50345420.3200 23871387.1400 523355.8246 37605844.9900 32524229.4100 76926913.6500 77073645.6700 31308373.9500 459448.3808 6189921.2610 746938.7836 13445273.6100 384281.2863 11349215.4100 282682.0064 8882342.8790 226720.3788 39945330.6200 434855.8795 24639148.2400 260295.6297 90917888.5800 1278953.8780 58807574.1700 517605.6387 53162012.4000 403005.4924 3620901.9160 39607171.1200 32900979.7200 37621064.0100 5002462.3710 730765.7508 2749068.1580 2730634.2750
Pregabalin Pregabalin 2564592.4200 1353401.7530 6397202.3620 5906230.6140 4136019.6370 203804.7499 4656437.9800 3448166.9670 9560009.5440 7504390.5950 2055306.3060 455506.4257 525963.2141 142933.9081 1211237.9050 371994.5796 970504.3671 218834.9711 1248201.3690 261400.5079 3971012.4920 492282.5721 2512190.7220 297953.8135 8978600.7350 493477.7672 5062877.1020 2380859.8730 6660225.1670 372667.6393 3885030.3280 3722590.6570 2920907.6430 3828952.6380 791343.2858 445985.7897 419296.9819 653566.9141
pretyrosine Arogenic acid 2765998.1360 1709129.2740 4543641.2990 4550279.5460 2570785.6520 1021831.0690 2045025.6830 1691882.5470 3808400.5720 3383813.2850 2351820.4110 1385781.4780 3205195.1580 1991942.4640 3975276.1210 2286957.4970 4435533.2790 2505800.3480 4144037.8510 2067689.5130 3288190.6380 2006453.3580 2400010.0210 1386447.4310 1994051.3090 912813.4807 2879567.9940 1976239.6730 2320844.9270 1120948.5170 3383972.3070 3452308.5920 3169832.1170 3420053.8760 101032.2121 35879.0707 37493.0032 36516.8834
pro-cys Pro-Cys 6098291.6870 4113522.2000 8793850.2420 10320693.5500 6541858.3520 2089437.8350 7757528.0110 6333531.5400 9749281.5900 8032360.9560 17217260.3100 12219713.8200 21780781.6600 13156567.7700 30476710.0300 18399765.9400 35799496.5400 18192901.4300 26720305.9000 13110544.4900 9150265.4310 5444195.3350 4985606.4220 2667347.9990 5889346.8970 2946682.0770 5699987.8050 3719044.3770 4860480.3600 2753036.6620 1061761.2370 11029962.5100 10439028.5100 10889183.3700 104179.1161 106189.7556 88973.0543 103665.8168
Prolinamide 11050939.3000 6759430.3150 12742274.2000 9830953.4820 16798091.3900 4842307.3860 16503340.1000 13079435.3500 12761769.5300 10117433.2700 17966301.5900 11188136.0700 12625455.0600 7686822.3270 22425879.3900 12432934.8300 7927754.0050 4538867.0100 16300044.6500 7025543.2960 15878519.5400 10985894.6300 19354876.5800 9998235.8390 12516792.9100 6327229.7800 16873746.4600 10262896.4500 15850364.6400 6701934.4430 21151989.6300 15110043.5400 14755034.1100 19643849.8900 31645.5304 33358.6126 43237.3640 31296.2762
Proline Proline 3867872.9710 4327551.2070 5325536.0480 7246195.3510 4243448.1520 2605096.6410 5008797.1930 6769597.8270 5278504.9130 5835051.0210 5869360.0250 4688001.2810 2009130.5940 3544529.2400 2655414.6080 3334110.8840 2283379.9490 2126934.9970 2738147.9240 3816616.7660 5442869.7220 5618075.1240 3004966.0990 3730048.5440 3754759.8520 3535867.5570 4584999.1140 4512056.5480 1320180.5350 2202158.0330 9356095.8070 9007578.2540 8044518.0960 9169828.8010 144789.2048 165756.8620 152294.1619 96434.8209
Prolylleucine Pro-Leu 48781246.5500 29992883.8200 45152711.6500 30185162.8500 69411586.2900 23646639.2000 83050748.3900 60126928.2200 51646917.2200 46398606.5900 39330882.8200 25586809.1900 39645091.0500 22102839.3400 43172190.8600 26699731.5200 35295219.3000 20974028.8900 44358001.4300 22131851.0200 113161940.4000 65632247.1100 75198631 43323068.7200 78453921.3400 39592858.8200 69745203.8100 42168126.2300 55098937.1700 27077291.2900 68393226.3000 56805162.4500 58719960.3500 64425509.4700 41577.0886 23856.2926 20549.8424 19788.9837
Pro-Lys Pro-Lys 1141845.7950 638624.7959 222235.9263 768314.5592 880291.6264 281798.0085 1501102.9180 2144662.0170 934223.5420 986251.6544 2080309.2690 1178244.2780 1286157.5000 813162.5402 3877782.7400 2055138.1240 3074610.2710 1291598.9940 2426092.7860 1308829.0740 2748975.1510 1549826.5380 1644707.2470 797789.4811 1354278.1860 683677.6616 7385000.0850 4646428.4160 1384039.1750 558958.3957 509371.4094 746440.9112 537499.7989 676688.5368 46455.7757 31042.7461 22783.7997 16989.0883
Propanoylagmatine Propanoylagmatine 2361145.4010 1235353.2930 444465.4742 692316.7925 2554434.0110 572685.0732 1250706.0970 440568.7830 819078.3936 646941.1420 34081757.5200 15306150.3400 1138769.4780 888160.5489 1089022.3760 539880.6710 7328664.0260 2692809.3170 831497.6265 390422.7023 1729965.0310 718455.8541 2362997.7050 959879.0908 1319500.6290 429825.0177 1571991.0420 723303.1282 1189669.3140 412808.1231 14876755.2000 13144944.4700 11727802.4500 14573086.2000 20490.8445 19688.1839 19164.6475 20567.7468
pro-pro-pro Pro-Pro-Pro 11169912.8300 7274627.4630 5926227.6850 8996481.1740 66550.7065 39597.8142 5485146.9050 4347306.7190 7154965.0470 6086465.2950 7684483.1750 4235430.0440 9226019.8080 5537467.3440 12984461.1600 7905670.2920 8271736.7640 4534478.7390 15608666.5500 8161771.4900 16552707 10428366.2200 10988516.0600 6458054.7440 8972627.8380 5176597.9090 10595830.3600 7374689.3270 8180420.6340 4564396.1520 16577022.9300 17112053.2800 15975190.1300 16760518.3200 68539.4788 2333659.1690 45959.7302 55634.3912
Propyl (9E)-12-hydroxy-9-octadecenoate 10445076.2800 7561184.2430 12271489.7200 11129419.2700 6853483.6640 4656428.2760 10511659.9800 8414526.3630 11275787.2300 11492355.2700 14871842.6400 10543571.1600 9901501.3990 8416041.6240 16240706.7400 11417711.3200 9454234.8940 9667002.1060 15737168.8600 10192523.3000 23406746.7000 30864366.5300 7610900.2850 5132041.1710 8163845.2990 5741783.6500 12195545.4200 10540113.1000 8881859.9600 6317062.8950 9870093.6130 13253589.8900 12008113.4400 11017972.9900 1779384.0490 289859.4033 1135345.5730 1019584.3590
Psilocybin Psilocybin 11845853.7500 3367323.3710 9472588.2060 7751581.4390 15165874.5700 3122165.8790 15401210.5300 13088264.7200 8742343.0380 8229647.5540 6025628.8510 5826075.8810 11246607.8300 4655333.6290 11440026.9500 4732092.8900 7152723.4080 2365926.4180 11683166.0400 3006193.5930 9597798.7170 9359618.5420 17861933.8400 5790069.6100 4316041.1680 1830183.3030 10995839.4200 6948153.0440 10289606.2800 2832366.4570 11788434.0300 12505649.9200 15968717.5900 11269100.6500 31435.0098 35856.2259 40247.1664 99885.0870
Putrescine Putrescine 5538314.0470 3682244.8640 6778430.0230 6837861.9360 3863426.5620 1016463.3580 8802399.0130 5909393.3720 7982365.8330 7276814.1180 18310379.0600 11447295.6800 11155138.8600 8361180.9290 12120671.4800 6833811.8330 10103009.8200 5950168.9720 25995604.6100 12341078.2900 5867284.6690 1824208.0830 3580365.6820 1804960.8530 11016065.5600 4925302.6280 7076427.8620 3531866.4700 8129387.4880 2215309.2800 137633.6465 4935251.7340 6769069.9140 5452839.8170 37068.9535 615691.1703 28630.8213 366042.1927
Pyridoxal Pyridoxal 27674527.8600 7576111.1230 11061417.1500 11812107.1800 11012631.7000 3554686.2760 22641685.2800 13462502.4100 7413670.2660 6726971.6590 30243560.9500 14357377.4900 14208663.4100 6576859.9530 49764009.3300 26783414.1100 23904305.7300 9362060.8750 7581823.8300 4065894.0650 28637414.1600 19338112.7500 42990481.8600 20962759.2600 168042717.6000 96111427.6000 32787485.8600 17323430.0100 87057005.5200 40354797.3100 28672549.4100 28452897.3500 28697406.1900 28598597.8600 270164.5336 137924.3258 133519.0966 80796.4058
Pyridoxamine Pyridoxamine 26138347.2300 15987320.2000 46254216.6700 32499264.6000 31571418.9400 10396822.7100 26008619.3200 23848280.2700 27296386.3200 25387704.6800 17912115.9200 6776646.3830 24631214.4400 13022855.6600 31681075.0800 16667045.4400 19998920.2300 10216034.4300 27575606.4900 12946401.2400 30978359.6100 15519718.9400 35442559.8300 8807422.2510 20444280.9700 8226969.3050 40811245.9300 22041254.7200 28066905.0600 10870186.3500 39900616.4900 27054966.9300 23656265.1700 38432572.0100 71956.5979 29740.3464 40249.8936 47185.7331
QS4476500 553579.0591 131524.6303 154951.2762 153881.1215 22115262.8800 134556821.3000 194230.4658 154087.5633 271690.1159 151477.9994 323201055.4000 287549100.6000 250794077.7000 223724829.8000 192454.6177 143421.2100 228805519.9000 216421248.8000 49417832.3700 375573090.6000 14476178.6500 12539475.6500 17053005.4700 20278409.4100 355883.8749 6036896.6770 401681773.2000 363123533 161457.1195 1045045.6580 140541136.6000 121139827.9000 111097581.2000 136375762.9000 72911.3081 31444.9157 100974.7649 65501.3844
Quinaldine Quinaldine 4777411.4470 2439844.8830 3708313.7190 4924254.6200 6743820.8570 1691153.0680 5240856.3800 3959720.1910 4971809.5000 4454745.9160 5098161.4760 2907698.8700 4088560.0750 2657073.1690 4762850.2410 2175845.5980 5081360.6960 2421207.7390 4663339.8220 2262470.8840 3735951.5200 2158754.4230 4609643.9500 2110473.8400 4301874.1330 1554784.6710 4150394.1160 2483440.5910 4202282.5370 1388157.3100 6905633.3850 6100231.0370 5657245.4190 6742227.0090 34194.4737 33039.0440 31590.7327 33477.9545
Rilmenidine Rilmenidine 662632.1442 336208.8557 710755.7985 726163.5306 769064.7851 334562.8989 1354973.2180 724283.9328 717451.0162 650093.9630 471814.6264 387972.7334 536554.5282 405469.4526 883475.8616 961670.0945 821559.3747 322903.1051 797523.3989 651955.2558 1204557.3820 1084215.6390 1174136.6340 378797.3220 11747121.2300 6664799.0680 2419278.5220 1976581.1130 2749710.5350 1370847.0780 269662.6715 1894407.7630 1533374.0460 1802743.5600 70718.6710 71274.0169 65815.0311 60967.4526
Rimantadine Rimantadine 10196712.1900 6208503.7400 11451891.2500 13096281.5400 9647949.3590 4587851.7260 9592642.7800 10050546.3900 21019108.0100 23354611.2600 5641675.6020 4452728.6260 7188232.9770 5080739.7030 3965140.6040 2583973.2570 1784061.5370 1335101.8600 3281833.2410 2106012.5730 4457234.4990 4542339.0910 6806873.3580 5223388.0670 16864982.6100 12828515 10686803.5100 9433289.0610 13093778.7100 8106611.2710 99429.2233 6929538.6080 6294005.3410 6743617.0250 99738.4808 79264.1702 67990.0103 57779.3474
(R)-Salsolinol (R)-Salsolinol 12240726.0700 11165785.1200 10734507.6100 12970766.1400 27282980.1800 15265615.7800 15525726.1900 13723416.4800 14708165.4100 13191093.2800 33665006.8300 30339355.8600 34947490.5900 28716810.1700 39822823.2400 34531178.3000 42558785.5200 42619833 33814716.0200 31894011.4400 8534758.9820 8360991.3380 15491651.5600 14980913.4200 8650688.4520 6886512.9840 16003544.8600 15772510.2100 10833078.1600 10118293.0500 105385209.5000 82012885.8400 71323406.3900 99450986.0200 19534.1598 25831.4876 33793.2362 22862.5917
(S)-(+)-2-Amino-1-propanol 5638892.2580 330639.9411 36595415.6200 22506314.1300 14944582.7400 147526.1334 19958369.5700 13680560.9900 11572019.8000 7137859.9330 13544927.7200 109801.8202 8271580.5340 71189.8357 10706259.7200 178720.8206 8304816.3850 441366.2235 15123652.6100 164927.2899 15904942.5700 198022.6167 16038822.7600 374895.2430 8933082.7590 235189.9208 14228452.4000 154849.4717 8958968.4840 101198.3418 611444.1028 14634031.3000 16399159.5300 15087968.9600 53345.7816 73229.3948 33228.3256 67627.5241
S-3-oxodecanoyl cysteamine 5478289.2410 4226579.9990 5485765.3860 6350524.5570 6418156.5600 4601510.1840 5000450.0960 4239842.9560 7273809.8360 5812340.6330 4155051.1140 4132130.3020 7256389.6620 6820585.9930 5094545.7770 3726952.9200 2685074.5540 2128250.9030 5065241.4000 4307378.6220 7571802.4150 5991050.4240 4740346.1400 3715855.5330 6705121.3550 6077876.9850 4343384.6840 4124401.7180 6498206.2630 4769338.0270 177519.6022 4277526.5620 4248706.9430 4271587.5590 193549.2118 194985.5162 130534.6082 189127.9549
salinosporamide B 6348759.1880 4168911.4200 4208220.4090 4114936.2930 8256584.5720 2838243.8160 10922850.4800 8159712.1210 20226645.0300 18433407.8600 2439670.8950 1502158.2710 11269873.0500 6815785.0110 8549658.4510 5343343.8220 12831574.5800 7798885.5160 4097337.0950 2207159.8190 6191314.9070 3285903.7750 4141117.4530 1971615.0880 2031394.6510 925959.2491 4851075.0490 3123743.1850 9441904.1160 3750050.3750 8077954.8750 6487969.4090 6145526.3640 7605821.2630 28034.7767 24846.2958 23355.6839 23446.7025
salinosporamide D 13161982.1700 8331888.8970 44412013.6100 41008251.4600 13321746.5300 4425239.5680 10063029.2800 6746480.0780 47777988.4800 41353177.0600 6067548.6020 3641443.4220 18174328.1100 10144818.6000 23542949.6200 14954248.0400 40852192.3600 22521445.7600 7432114.5270 3843808.9180 5839926.0550 3340252.6640 5306015.4560 3094367.1380 2140372.4050 1003858.9950 6204305.3070 3771742.0540 2183548.3980 1008116.1190 15712655.8800 13013845.8900 13327069.1200 14884572.7500 28380.6529 25684.9062 23872.8080 24184.5438
S-Allyl-L-cysteine S-Allylcysteine 80613987.3100 49648102.6700 92284897.2200 105581385 87882057.6300 27922684.2900 97409232.4900 73524003.2500 92420539.7800 79491670.1700 273539227.3000 143552554.3000 221575496.2000 143073500.7000 342503111.7000 200728528.5000 288986705.4000 161280902.5000 364268233.9000 165636829.2000 124383099 60160536.8000 68118648.6500 37139480.3800 71400953.7600 34811689.4400 78555926.5500 50715447.6300 67139422.7400 31195943.9900 117909392.8000 94047434.2300 97734867.5500 112426383.6000 39413.4588 89542.9251 65631.1537 44097.1897
Salsolinol Salsolinol 9486106.6160 6605815.8810 9806544.0780 8589150.2450 11137073.8000 4645247.8220 11362696.7900 9582393.6170 9308733.5180 8676823.5280 10346501.2800 7010960.0790 8492508.1240 6480142.2310 8596837.4140 5734754.4780 8648517.2830 6011834.1640 11797061.9800 6749147.7740 2967392.6880 6307600.3330 9858224.6900 6934682.8290 7323141.7100 4226942.3570 10378356.6600 7442584.3790 8346186.1520 4735854.7420 103454.0463 7967488.9510 6862528.6030 7682215.3020 134280.3599 68598.8807 55745.7135 41225.6420
senkyunolide B 1974985.1710 1189000.2160 2479282.5610 1891422.6060 2377414.4010 1371019.7080 2467103.8530 2041234.3040 2413957.7520 1797137.7310 2434152.4910 2154066.2030 2102110.2670 1594837.5850 2235403.1910 1487384.8650 2608288.3430 1978626.7500 2328536.8520 1481397.4800 71062333.6200 51043893.2000 2505466.8410 1724880.9320 2626253.7680 2054358.9420 9933978.6700 8353438.4910 2224291.3260 1772086.9290 15663925.9900 14432213.4900 13508986.1500 15392190.5800 60046.4502 645369.8097 54915.4273 55934.6197
Serotonin Serotonin 20111651.7600 15607124.6400 3285693.6050 4646270.4100 16411512.3300 6273441.8710 5845053.0650 4973608.6710 3583349.1700 3338121.3970 4560918.0460 3093006.4210 9325685.0470 7123256.0040 6099490.2960 3490846.0470 5958858.4350 3723599.7360 5797710.3790 4807960.8750 6611395.9540 4903080.0330 3756759.0230 2299422.8160 3496015.9420 1046317.7040 12652681.6400 8422662.2620 5174794.8830 2938654.3510 13208516.2500 6439213.8510 5788977.4450 11820307.0500 33863.2278 33003.4071 37450.5750 34652.4040
Serratanidine 181161.2631 101590.5834 159553.5964 160134.8177 143146.2957 97340.8595 4524960.7420 3550417.9970 749522.2717 561464.6283 140662.9251 97371.0801 120244.8446 90329.9918 128633.5813 112901.3966 4689855.1080 134235.0078 103709.9855 123814.2971 3680469.3240 181771.2793 8327075.9630 12555925.6400 4844128.0560 260236.8558 8688612.4440 10642468.6200 5656907.7950 7105512.7390 2794807.1990 3131888.7040 3844816.2000 2841431.9090 37636.6675 88101.3124 63756.1818 61288.3846
ST2975000 2843057.4750 2060029.6390 1192595.9460 1093135.6230 2945716.8650 1138955.3000 3457822.5590 2621020.8860 2152157.1890 1823955.4410 2369910.5620 1434355.2090 3273008.8960 2178036.6070 1675123.3230 1172960.1960 1545658.2980 820065.6473 3207329.0270 1821368.9770 1879696.4540 1085629.7510 5247742.3830 3241387.5850 2330360.5450 1242508.5250 3866550.7730 2327682.7490 4148375.6370 2359475.3590 160356.5385 2890541.6800 2732890.0720 2861234.2730 20864.7511 21443.7097 20995.2785 23265.9893
Stachydrine Stachydrine 21358256.6400 12103054.2100 39154606.4500 32363169.9100 27583771.5400 7474055.5360 20261746.6800 12635302.8800 20975877.6700 19577079.3500 71023565.9500 39210092.4000 52052707.6400 34934664.2500 58502777.8300 29335453.0600 67103106.4200 33614899.0600 99816780.8800 47376976.7700 19505543.6000 8965931.1270 21253421.1500 9997171.1660 27836448.2700 10202111.1200 18865072.7800 11470437.7900 17726379.0800 7075952.1290 35071451.6700 32237007.4800 24574685.5500 35066682.3400 55225.9079 106491.1722 58535.4372 54039.8507
Stearic acid Stearic acid 3406394.7180 2028906.0060 3842903.7540 3837309.4830 3558458.5770 1215798.9930 4081379.8200 3132956.9710 4474690.0680 3905983.0560 7766095.4700 4237173.7350 4263678.3260 2579614.8040 6732142.0970 4212279.5010 7218059.5910 3733581.1600 7166518.8490 3587521.7660 1805364.3870 1249085.0610 2153960.5740 1074884.6910 3347439.4620 1560241.8000 2709876.7450 1679321.2780 2574614.2090 1138160.2880 106535.7553 2993918.7530 2799282.4310 2956948.2630 25801.5510 17589.2454 18296.3727 20649.1552
Styrene Styrene 32187733.2200 20969621.6300 22099123.7500 18009815.0800 52617280.8900 22954445.6300 28426952.0400 22662079.2900 25224576.9500 21516398.3400 24813397.8200 17779485.4700 30902601.8100 20690188.8800 14647246.6100 8896601.1630 28208748.3400 17080830.3200 21341209.6600 13296206.1500 20248521.7700 13799117.5500 31150905.0200 17362241.8900 14407362.5500 8521889.9280 29460079.6100 18700130.8300 26174773.6300 14592728.3900 36408189.0100 31270902.3600 30464696.9800 35019236.4600 3272854.9100 3237672.4640 5138163.1840 4434585.4570
Supinine 3313841.3230 2652116.7090 5785850.4290 4748679.3880 7566747.5010 3377413.9110 6148084.8810 6255151.1760 6187244.0460 5734376.5850 10886279.7100 7932638.1160 4706814.1770 3185859.9290 13325624.8000 8589062.2690 20664194.8100 13263195.7600 8685962.8900 5829447.2020 3451207.7090 2940840.1840 4343330.4170 2855648.9170 5871361.9520 3509413.5490 7045217.8220 4897604.7850 6238058.5470 4111331.5350 6210253.9700 6956219.2450 6393785.1770 6459268.7630 31458.9035 187056.6318 163395.8201 136884.6269
Taurine Taurine 1677984324 1174790433 1455095878 1599501269 1784301195 735549387.1000 1929884945 1603766241 2426778720 2149179375 1371376251 923999826.9000 1720402912 1168983486 2073332062 1332434168 1716216760 1108974112 1985112216 1133275456 1566412312 1051204376 1905723802 1168237812 2618314498 1537471480 1853971675 1253308102 2141004674 1262120853 1867122085 1789896798 1693146569 1854389438 2069622.0420 770832.3410 1140681.9940 6584750.0490
Taurochenodeoxycholic acid Taurochenodeoxycholic acid 1277608.5390 668923.5052 1631274.1210 2019002.0060 3435484.2440 910546.1049 388020.9196 381086.5069 1134625.3780 842827.8286 1692972.9770 798388.3728 216023.0284 127309.4528 2819814.8320 1551504.8940 3287025.0920 1733273.2710 326317.0721 186882.8135 5865941.2390 3385480.1370 652848.8029 239236.8247 1070644.8010 379688.9537 552341.9219 306318.9796 889710.6783 346937.1786 465281.9440 1767588.5820 1630248.3640 1735007.8220 32693.5083 72679.7471 27654.0723 29478.7639
Tetraacetylethylenediamine Tetraacetylethylenediamine 340134.6816 264503.0720 338452.3881 207291.1667 401422.7144 192563.7058 389594.0093 202936.5561 323812.6371 304526.8434 245757.8699 178991.1294 182010.2897 244760.8967 382173.6306 300924.8354 226614.5165 121811.5032 209451.2408 234859.0294 1261747.0750 782412.5046 4714514.3140 2346406.6930 456641.2387 207084.0733 552906.8711 361762.9854 778295.2962 388544.8753 1066226.3120 627087.3273 610268.7118 980299.3209 36929.0218 38628.6104 37049.0275 40875.6371
Tetrahydro-5-oxo-2-furanacetic acid 15480662.6100 9481862.9900 21558409.2700 17078707.3900 23709430.2500 6262796.0670 23501635.5000 18231802.5800 18491115.5800 16440988.8000 15504611.3400 8467279.1620 21706287.1300 11023970.5300 26830621.1600 13040274.7300 18997239.0100 9399666.3830 23897761.7300 11245852.6100 13265630 6334523.8640 15646060.4700 7328227.0750 21001545.7600 8915912.3760 17451240.3800 9063186.4030 17058276.3600 6936856.4420 23739452.4900 18635841.1500 18722597.1000 23016634.0300 27317.4785 26764.5819 27585.4721 35412.4695
Tetramethylpyrazine 4355092.8790 2707894.8320 6127827.9970 5628479.4140 2723447.9410 915616.8600 7127621.6790 5529418.6090 5426340.8740 4706913.4400 11050089.1600 7104679.4440 5086232.7710 3141207.4790 3786802.8160 2163652.4560 18385580.6600 10646811.9200 5969967.9850 3267352.8100 6719061.8540 3997995.9690 7870789.8410 3331587.6710 6430113.1030 3359880.4050 4544195.6220 2835947.0810 4433666.0690 2322729.4370 269147.6325 7590167.8940 6892514.2660 7427392.2300 27045.9999 27089.3691 24861.4344 24884.0254
Tetramethylurea 145995.2273 104678.3584 246036.3704 153746.2807 226149.5587 129286.4198 783735.9271 847534.8704 172924.4934 146071.4668 1277386.1490 612799.8838 214977.4216 168119.9800 181516.7669 138482.3049 519256.6156 468166.9876 307484.5528 99925.9602 664659.0481 349939.5150 11732203.1300 10193692.6900 179604.5458 103929.7834 140233.9241 151801.8824 529254.9852 94449.3010 185288.7449 2038154.7900 1616631.2940 1933688.5720 32108.9244 55689.1897 40911.7083 45147.0279
Thiorphan Thiorphan 4002219.6670 3348384.5850 10914337.0500 10168967.2800 933377.1515 327288.3784 4756513.1970 4378526.5480 12139184.9600 10732957.5900 6870840.1630 4878595.7660 2993540.4810 2077173.6960 1516931.8300 981711.0996 8101372.4430 5932756.3340 2636784.8470 1896978.1660 230546.8668 175067.5340 232491.8199 338223.2518 245505.7984 137060.0390 313398.3064 209006.9763 254528.8822 165685.1861 133973.7371 2701376.4310 2529068.8570 2655854.7330 22914.4039 19619.7828 18116.1594 20929.3146
thr-pro Thr-Pro 2625463.7940 2353305.0470 1559336.7460 1595567.2370 2645763.9090 888384.7126 1536427.3750 1454146.2720 1632027.7330 1536415.6870 4445643.9950 3479864.1220 1824132.9920 2544259.3010 1514256.2840 1188689.6120 1725797.3890 1320913.3520 2346873.9290 1271716.7880 20852789.9700 17113819.3700 23380708.5200 15336159.0300 17715756.1400 10306391.7300 9296257.6640 7333725.9560 14725440.9400 8006918.5150 200264.4942 8191251.0280 9601706.6790 8504541.8640 34843.1023 32259.5833 30393.4113 31781.8951
THTA 2-Tetrahydrothiopheneacetic acid 5182470.0860 4588760.7000 740416.4698 10358928.8400 883741.8163 6831037.2280 9480857.8800 10500843.9900 6676656.5420 6044809.4650 773517.4787 25532803.2400 17840354.9200 15685767.3300 21955249.1400 16186153.7400 1013276.5660 18373949.1200 19179879.8100 16127356.8000 4791918.8130 616260.2475 7608187.1770 462250.9887 4318644.0310 359356.1907 8634729.5220 7523685.2180 3709317.9580 356449.1374 70419231.1200 52959944.3400 45191338.3000 65764917.5600 1164267.3650 56590.7465 105362.6301 106328.6082
Tolycaine 14402715 11531398.5300 1490102.7090 17368735.1100 39291057.7900 12789367.9000 30423303.7200 25564021.8100 26040357.8400 23127205.5600 39059524.8300 18037434.2500 36008814.8700 18989785.6000 47993118.5800 30579200.1200 27050907.7700 18635927.0800 54125337.4300 28894499.3000 17610176.0700 10533184 28768529.9300 12741668.0800 32274923.5600 19722883.2700 23609755.1600 16182526.2600 20454660.2300 15416042.0200 814793.9328 24445910.3800 16987732.9500 22371993.2000 54004.9343 46306.9053 39524.4359 32954.9542
trans-3-Indoleacrylic acid 687055988.4000 398020608.4000 617740934.1000 670484121.4000 895556257 295506179.2000 715936162.2000 565494073.5000 722198949.7000 640254823.4000 736300134.1000 435511849.1000 641317581.1000 420707145.1000 730189440.1000 361242842.6000 787605194.6000 402478095.5000 700924860.2000 334797759.2000 601960268.7000 391514346.3000 686261239.6000 356414376.4000 644548478.3000 292522040.8000 629851914.6000 378164590.9000 616537087.1000 260627279.7000 732269549.4000 668139257.1000 630625788.9000 719791905.2000 132569.5550 105492.6650 126303.0770 103418.7464
Triethanolamine Triethanolamine 59804488.7300 38427670.5500 22191945.9800 20136734 402973740.5000 139039083.7000 53700065.6700 43553193.2500 87274370.6800 79322935.5800 33437905.4300 20679646.6100 79936431 53661850.4900 36254813.8900 20303707.8200 52598318.8100 32177118.4100 97253270.6200 56901656.4100 24152956.6200 16541593.2600 23441502.5100 12596062.0200 44352348.6600 26851753.0300 40328876.7800 26357254.2600 89748629.6500 46567252.8800 113669880.9000 88156781.2200 82237298.2000 106823079 65024.9422 60779.1657 146281.0030 58077.8104
Triisopropanolamine 30764738.1200 19096122.1700 78026976.0300 94423932.5700 33680605.6600 10666925.1800 52051753.6100 37058727.2100 89739951.3600 76936541.3300 44934285.3600 27236036.1500 21629503.2500 13432811.4800 30045516.1200 19481336.6000 42902071.0200 24030392.0600 27592752.7100 13930776.1500 19920675.7900 10119614.7300 16540013.7600 8043483.3400 16214364.7400 7833559.2170 17381567.0200 11836610.2700 17712049.9400 8513166.4710 32901976.2700 29661967.5900 28398535.5900 31959828.1200 31142.4992 47414.3413 52841.6914 50944.4987
Trimethoprim Trimethoprim 75186.2719 49210.7135 62020.5284 66268.8194 69352.0294 34320.5002 67023.3106 67883.9697 75776.4092 66592.8540 78147.7993 50208.9148 72605.5219 48994.4948 70251.0392 50866.4211 83814.4254 47453.5335 79596.2458 46503.9697 80160.4597 51228.0280 76232.1157 44597.8431 73722.6613 37869.7820 90806.9497 70714.0249 5263208.5630 2943607.3590 413467.4296 223958.9621 261126.4357 367677.0647 37690.7351 40379.9505 54786.1269 39693.7237
Trimethylamine N-oxide Trimethylamine N-oxide 356754340.4000 188898367.7000 279865052.2000 240349501.7000 322350876.7000 99153840.9900 298018776.1000 224504144 750236317.1000 623484088.8000 250540249.6000 140924625.6000 225314612.4000 137161996.3000 212393784 125911690.2000 840502428.1000 452294637.7000 252761410.2000 129708835.5000 580943640.7000 320728322.3000 686872790.5000 327040536.6000 405102383 184710059.9000 273576513.8000 164705769.2000 350584947.2000 166673077 440043826.8000 412467975.9000 398704549.6000 432911586.6000 75855.9501 96800.9877 239142.7426 110207.6352
Trimethylenetetraurea 3475921.9170 1894667.0530 1826392.0190 1603969.5580 1686256.7990 409132.2382 1852811.5530 1094504.8610 488554.1212 496049.1250 3954752.1010 2926415.9480 7850971.1200 4695794.0670 7223204.3470 4012952.2490 6911003.9200 3795493.3080 6377082.1880 3334892.9550 3761791.6610 2297723.3770 3854591.0610 1676799.4640 1871951.4440 688637.2143 3053182.7270 1475805.4740 3050488.8430 1221059.5790 593178.3569 1592950.2840 1434607.3060 1550999.2210 36036.2551 30448.4850 27253.0167 24275.9046
Tris(2-butoxyethyl) phosphate 11499099.6900 8549342.6040 29057994.6900 27445793.2700 37470834.1000 20254151.8600 48451893.4800 38625917.3600 36836632.6100 33296595.9700 37534690.9100 28593484.2200 60350865.7500 42376934.1700 17655956.4400 11875556.6500 62494832.4100 41752888.9400 26914134.5400 16155388.1300 24651305290 16011198017 54432438.5000 35267871.7800 91230737.1400 59961469.5500 1948102052 1409618462 37066803.6500 23303900.6600 4107027636 4145775055 3962846310 4130639241 614577.3898 444217.1436 197291.0359 382350.2824
Tris(hydroxymethyl)aminomethane 2-Amino-2-methylol-propane-1,3-diol 2101300.4670 2597712.7050 5769944.9560 5717751.9610 11636331.5700 4264454.8070 7124182.0070 6332454.3880 3770470.9670 4343182.0780 5057590.2950 3797937.9100 1435521.9140 1681723.4340 2223635.0640 1821669.1290 3311980.6140 3969052.5420 4198378.7720 3477278.6900 4768124.1870 3382393.2680 81411924.5500 47575577.2900 16822242.9900 9399728.4690 9002397.7380 7216512.6720 5231497.1710 3312315.9210 20367632.0500 14475399.8700 14657090.4500 19252615.4300 3454221.2780 55451.1327 78147.2459 61842.1123
Tryptamine Tryptamine 4404452.9330 2303412.7270 4372328.2610 4134420.8450 8584985.2320 2925486.8930 4526887.4430 3605340.1800 4815515.1790 4812163.7860 7997122.7230 3816961.0780 3580635.1210 2772414.1890 327693.5193 266218.6745 4287936.2030 2149358.9300 3353029.7090 1683169.5690 2015308.0200 1440994.8500 2600042.5750 1239776.8030 205335.2758 161418.7544 1899923.8520 481597.8487 505345.1141 1220761.9560 5037898.1180 3816852.5120 3899351.7750 4705125.8770 35026.8826 78126.1544 80746.8727 24206.0961
Tyrosylalanine Tyr-Ala 2002600.3220 1239772.3470 2908077.1700 2988799.9380 3619297.0150 1417447.3860 2281075.9370 1893135.1150 2402584.8060 2159425.7770 6484941.5290 4235082.9670 7684603.0880 4698087.0310 6845661.9700 4542824.3700 9179992.6980 4628496.7110 9011138.8790 5989901.0540 2314688.7850 1243572.7930 2176153.6400 1029650.4110 3130813.3080 1793568.9490 2558322.0390 1697491.5170 1934767.9760 1046846.4620 280384.0177 3440058.4010 3302538.1940 3408107.2890 27711.0982 25252.2770 24217.2715 50638.7957
Ubiquinone 9 174106123.5000 128328985.7000 112880837.3000 106754582.4000 111559938.9000 85214106.0200 117631553.1000 78677508.9400 116363531.7000 110425221.7000 380425297.5000 294463838 353834133.4000 310454293 305903837.5000 300368004.5000 372191770.4000 291542286.9000 409245230.9000 268520259 197198370.7000 196141981.6000 145198125.1000 147998819.8000 104703593.9000 79837845.6300 187004745.1000 157778982.1000 150052238 113265846.3000 247154874.2000 236164019.6000 235713804.8000 243299275 130507.3236 112311.5921 99117.7545 95433.7184
UNII:N506B45LBE 10384463.4300 7361861.0880 10148807.1300 9358362.6670 9821761.8540 5455404.8790 12471457.0100 10824281.2900 11108898.7800 10360858.2800 9028726.4180 7185526.1800 9713858.3220 7917732.4560 13337812.2700 9631628.5940 12964903.0200 7917698.6490 10668162.9800 8120731.5350 4209815.3830 3927635.1470 9122020.4640 6464503.4440 12730128.6900 8079110.5450 10992130.9700 9112186.6800 10075258.2600 6202997.9290 1816286.3620 1992906.4940 1767211.9360 1880512.4670 53132.8520 48936.5842 45916.0023 44438.3646
Ureidoisobutyric acid Ureidoisobutyric acid 12136254.1000 5143581.3870 215873.2081 9357003.0400 22763881.9100 14705227.8600 12212127.5500 8623145.6420 11078934.1700 9401223.8870 31958474.2800 11607812.4000 23649258.6400 11264203.5500 28496727.9500 11500450.8400 22125362.4300 11640109.4200 27852841.2800 14621942.7200 12472758.0100 5616311.3890 17620445.1300 9197922.7020 9813708.6010 11385133.6000 13758846.4100 7162281.0820 9911067.2740 11561630.9600 17284064.6000 17937567.4400 17207974.0500 17509616.8500 28105.0150 26383.7485 26107.4302 87901.1903
Urocanic acid Urocanic acid 6427289.2240 4314471.2010 12952084.3300 15804402.7200 13365795.0900 7261090.7970 10870443.3600 8994320.0760 28064717.3600 23413520.3300 31101038.3400 24042320.1100 11700654.1500 9253805.7110 111320446.2000 83090856.4700 12918153.9000 10736451.4000 14123532.1300 11149647.7300 14333051.8600 10337351.8400 13853213.0100 10618035.4600 17732719.4200 12417238.7100 10997445.1000 9574060.9670 17827762.7200 11846062.1700 232410.6788 20490030.3200 17747439.8900 19807691.5800 39307.6323 43489.7157 38873.6027 36384.0840
valganciclovir Valganciclovir 63576578.7300 46012206.7200 33173152.6000 52736031.5300 38766270.0400 19466551.2100 55271024.3200 61879491.6200 37045353.8100 54224419.6200 53722920.4400 44671326.6900 27915291.5500 35887001.6600 49311133.1900 46643635.6500 49226906.1000 29670089.8000 77714502.6900 38498982.9800 69396091.3300 42516307.9600 46593424.2100 45867374.9800 64014558.6400 32956827.6600 58982365.5600 49662622.9400 35623688.7900 30800152.1300 585324.0373 69069823.7900 59298214.4300 66217961.6000 50304.9450 39398.5886 31862.3294 27661.9631
Valine Valine 1502471636 764579312.7000 1179639482 1270489902 1464783885 646964535.8000 2236840410 1253115154 865120735.4000 1158687367 1771111994 704192413.6000 1211189647 735263748.9000 2268275177 783808744 1052959003 666278135.1000 1580806404 744879103.9000 1443858151 608154333.9000 1998788515 1208884297 2536267653 602073539.6000 1001308539 922362694.3000 1447753336 412572084 1438362352 1582460553 1880887928 1484506449 7506000.9260 338891.3739 979766.4298 1301146.4690
Val-Leu Val-Leu 76266839.1400 40195829.3800 71231329.8600 82711160.8300 177283332.9000 34901696.8900 115319760.9000 84392253.6300 88929218.3400 75611503.3300 169997999.4000 93463198.6300 173645354.5000 90028718.7900 174482487.3000 79081849.5100 179730691.1000 82146505.1100 222781138.8000 113967653.2000 96237074.6300 48543990.2500 144528698.9000 64724978.6300 116231232.8000 44064663.9400 118182148.2000 57591792.6700 97015728.4200 37572949.7500 130636411.2000 110249341.3000 104032881.1000 125048432.2000 95022.8390 75252.2700 71230.5673 91725.7903
Val-Met Val-Met 10566348.0300 5246562.7350 9527116.0270 11994053.3400 21859801.6600 4312515.9480 12973660.4200 9517175.4130 11447510.1500 9318627.1920 17267321.2600 8230083.7530 16838480.6300 9301770.3170 19494107.6700 9000611.6530 19243424.5800 9157430.6380 22949208.6600 9139873.9860 12991309.1900 6789582.2640 17411083.9000 7646400.4390 18713362.9500 7385047.1670 17923235.8700 9044372.6810 14858983.6500 5509845.6290 17150067.0200 14303595.7100 14425552.8200 16326368.1400 33087.4878 27530.2053 26250.1277 27514.2011
Val-pro Val-Pro 3911410.8930 2086196.6380 5797195.7780 5175928.9890 7351216.7080 2131322.0990 8274545.6890 5227414.2910 6085538.5390 4649668.8710 6637836.7850 3661040.9250 7001138.5280 3352255.2170 4722831.4970 2833586.6440 5211054.1820 2167259.4600 7030641.5010 3078242.8770 9234304.7210 4042249.8670 11972965.6900 5614223.3840 9400472.7320 3934702.6250 10123461.1700 5496643.1960 7360115.9420 2777000.4000 9426117.9780 7006609.3060 7736080.0960 8690917.4260 30108.3058 25918.4766 23353.4846 24449.0712
Valpromide 3276742.1410 2124893.2410 4797776.5290 4643663.7380 3015745.0040 1263840.9440 2659979.0560 2048945.9480 5388393.3270 4967607.6860 592546.7349 213562.1162 187223.9001 93799.1722 292135.4916 181584.5216 112803.2362 63901.0848 800630.9523 457623.3753 2729534.2590 1915446.0350 3106039.4370 1294087.8110 4882030.3500 3098436.1300 3367267.6970 2423662.2690 4197679.4710 1973894.1360 124517.4955 2509124.2000 2255418.7860 2434300.8460 172899.6164 26385.8174 100853.0699 104415.4272
Val-Ser Val-Ser 2444594.7310 1396545.4970 2831454.0990 2606670.4560 4892474.8340 1560049.5850 3435412.0250 2605791.4240 3556554.0840 2913951.0830 3739202.2570 2118531.3180 4176643.0610 2610036.4530 4083341.3970 2353357.0610 3376450.7120 2011634.7090 4825115.0900 2461210.9870 2267307.1220 1306868.7790 4019719.4100 2201507.0480 6798672.7840 3369085.9770 3291293.9900 1951314.2620 4432204.0200 2095547.3780 106412.8819 3500516.4510 3428075.6820 3484216.3370 29494.2508 22495.2203 20621.4414 20655.0522
Valyl-4-hydroxyproline 16009846.5800 6847810.7730 4023429.8500 23196102.5100 41182020.5400 9237201.9890 16256382.3600 8969971.4440 25664699.0700 17925650.9700 4946059.5570 1930974.2730 12825182.8800 5901898.8220 9177418.5750 2449985.1220 7816465.4890 2810950.8500 14221917.2700 4958960.4980 15630500.3500 7219987.0600 15051624.6000 5197332.9560 20482790.1000 6257205.9970 12092143.8300 5450083.0850 14762622.0600 5476527.8760 27572032.9000 19787646.6500 15792375.7000 24490481.5600 43620.0942 33173.4522 28492.1713 24553.1321
Valylglutamine Val-Gln 1529516.5300 928816.8206 3108255.9890 2215726.9100 3608195.9360 711295.3192 2063226.3440 1361001.6490 1822747.3190 1509519.6050 6252364.0960 3466354.4750 5476229.7340 3073097.4000 6015599.6990 2758813.8250 7685015.0610 3815490.4600 9090588.0440 4275666.9160 2220782.0780 967892.8806 2426365.5740 1164027.6490 2656900.0950 1110489.6890 2742915.7300 1364266.8980 1908716.6310 640664.8545 3447374.4100 2655205.0760 2886420.3170 3209840.6520 31312.7196 28288.8187 27331.5250 27334.8569
Valylvaline Val-Val 8074323.6520 4973330.5440 8423310.2270 6229775.5180 5674856.5610 1639612.2940 12882745.3800 9443790.3390 6049186.5360 5339611.9160 10078623.2900 5572452.6190 8747579.5470 5475679.0900 19039009.3300 10115884.5300 7856791.3440 3766338.3750 12450791.8900 6696909.3040 9828722.8720 5502796.7520 11344835.2000 5569281.8440 10709355.1100 4410532.8030 9812760.5050 5598773.3420 9484253.0220 4053417.8210 13327013.8200 9276840.7440 9152632.4790 12286603.9600 27167.2792 21442.0173 20297.9914 58381.2931
Xanthine Xanthine 16755850.5200 10732889.7200 27014812.7700 22550405.1300 30978686.2700 10688774.3800 23818731 19099350.3100 28094792.1300 25439530.0900 25572689.5700 14550824.0700 11418877.7100 7589471.8560 5802844.7640 3504493.1560 8257875.2640 4290335.4810 11854987.7800 6712319.2080 8958848.5220 5205056.4120 10859907.2100 6075978.1450 11064709.2400 5824476.3810 10501847.0600 6293792.0400 12893684.6700 6693020.4660 17739486.6000 16250008.2600 16235940.3100 17346032.9100 33960.3855 30132.1638 30561.4636 32558.9930
Zalcitabine Zalcitabine 22144771.1100 15004696.5400 24299183.5700 18728469.5100 34773458.1100 13949290.2800 31671680.4500 25925353.2500 17077576.0500 15197637.8100 37814990.6800 24265775.3300 22990592.9400 15584014.9100 37533101.0700 23623362.9500 28862841.5200 17878893.9200 31304449.4400 18871077.5500 51097719.3800 33066295.7500 35284104.8700 22897043.8000 32534131.7600 18664553.8000 32178391.1500 22501690.0700 21212414.2800 11687919.7800 1153198.2400 31651194.7400 33389758.0800 32093945.6100 53311.5983 23496.9223 29444.6515 37592.7985