Metabolite_name RefMet_name 20220107_Cowley3_Cortex_10_29-413_C18neg 20220107_Cowley3_Cortex_10_29-413_C18neg_rep 20220107_Cowley3_Cortex_1_23-402_C18neg 20220107_Cowley3_Cortex_1_23-402_C18neg_rep 20220107_Cowley3_Cortex_14_27-406_C18neg 20220107_Cowley3_Cortex_14_27-406_C18neg_rep 20220107_Cowley3_Cortex_3_25-405_C18neg 20220107_Cowley3_Cortex_3_25-405_C18neg_rep 20220107_Cowley3_Cortex_5_21-391_C18neg 20220107_Cowley3_Cortex_5_21-391_C18neg_rep 20220107_Cowley3_Cortex_1_17-434_C18neg 20220107_Cowley3_Cortex_1_17-434_C18neg_rep 20220107_Cowley3_Cortex_13_15-429_C18neg 20220107_Cowley3_Cortex_13_15-429_C18neg_rep 20220107_Cowley3_Cortex_15_11-417_C18neg 20220107_Cowley3_Cortex_15_11-417_C18neg_rep 20220107_Cowley3_Cortex_4_19-463_C18neg 20220107_Cowley3_Cortex_4_19-463_C18neg_rep 20220107_Cowley3_Cortex_7_13-421_C18neg 20220107_Cowley3_Cortex_7_13-421_C18neg_rep 20220107_Cowley3_Cortex_11_7-469_C18neg 20220107_Cowley3_Cortex_11_7-469_C18neg_rep 20220107_Cowley3_Cortex_12_3-467_C18neg 20220107_Cowley3_Cortex_12_3-467_C18neg_rep 20220107_Cowley3_Cortex_6_1-466_C18neg 20220107_Cowley3_Cortex_6_1-466_C18neg_rep 20220107_Cowley3_Cortex_8_9-470_C18neg 20220107_Cowley3_Cortex_8_9-470_C18neg_rep 20220107_Cowley3_Cortex_9_5-468_C18neg 20220107_Cowley3_Cortex_9_5-468_C18neg_rep 20220107_Cowley3_Cortex_QC-Pool_C18neg_10uL_1 20220107_Cowley3_Cortex_QC-Pool_C18neg_10uL_2 20220107_Cowley3_Cortex_QC-Pool_C18neg_10uL_3 20220107_Cowley3_Cortex_QC-Pool_C18neg_10uL_3_20220110001401 20220107_Cowley3_Blank_C18neg_1 20220107_Cowley3_Blank_C18neg_2 20220107_Cowley3_Blank_C18neg_3 20220107_Cowley3_Blank_C18neg_3_20220109231151
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
10-HDA 7510364.8540 6609826.0980 20348493 21444685.7200 8306698.8480 10282343.6200 5679919.9860 4305959.5650 22499407.4900 20999908.4300 7856921.7190 8144294.1090 13044925.2600 9174148.4520 22715253.7600 29390083.4800 8007183.3690 6278070.1160 12427202.0200 11162826.5700 9018381.3620 8039396.6810 9502075.1150 9076343.8390 12684340.4100 13043561.1700 5987956.5170 3824608.8290 10086868.3200 8457875.4580 14232239.1600 14223460.2700 12326201.5100 14998597.0200 59388.7144 55123.7890 2981477.9900 3301956.5880
10-Hydroxydecanoic acid 10-Hydroxydecanoic acid 8691231.8860 9509834.7230 19467338.2400 19750170.3700 7158463.8490 4784082.3110 1022672.8120 1324809.3740 5017288.6320 4298143.2900 1114522.7080 1127729.2210 2020013.9930 1580329.0540 12228794.0800 10757237.0300 1919405.4560 1345039.3640 6540069.3100 6093579.7200 27123122.9200 24383404.7800 8292050.8510 7554967.4500 18637863.0200 18785079.6900 12691781.8900 13428847.1100 13897922.0300 11561232.0900 12440295.5200 10198211.8400 11297124.2700 12109268.8600 47667.4048 330806.6747 321614.2631 363041.4865
10-oxo-8-decenoic acid 7383624.6240 7814434.7590 8329952.6640 8208851.1450 11146338.6400 10973608.9600 7261678.9400 7184021.7890 1297782.1180 2942908.7440 1341886.1580 7095536.2850 9552287.5190 144469.7526 239708.3480 2414448.4170 224365.8682 5165657.0250 7266669.3890 7508581.5780 15305824.6600 30744798.7000 4624293.4720 2638316.5220 1829205.8880 1857890.6540 43298442.6400 24925565.0800 15877195.2300 13588479.3100 3839303.5370 4769367.8270 4812122.3710 3827700.3650 442552.1663 2397942.7210 6437876.1690 6482125.1880
10-oxocapric acid 54672312.0200 62777462.3500 88357629.6700 91708415.4400 66109026.1700 59486071.2800 10481422.7600 11060784.3000 33219438.6900 34627295.8500 10088010.9100 11222617.3400 9571906.2950 8690673.9460 50971272.6100 58412059.1300 33100604.8700 26462206.0500 48548430.2100 50555091.1000 176512682.9000 171307136.2000 46117897.8600 43986906.9900 130608530.9000 128881852.3000 89489532.1800 83108080.5100 80271207.8800 62957883.0100 67284130.6400 59354324.6800 56227804.7900 69374314.3900 2463370.0680 113295.7944 127887.0997 3580205.9590
(10S)-Juvenile hormone III diol 911012.0623 931316.0159 1309643.6280 1600273.1750 1148659.1250 1099801.6930 978639.8143 1033915.6770 1467883.8390 967731.5772 1360743.5520 1457995.8670 2168152.7290 1867323.7020 9867836.4140 8257560.6510 620533.5958 483792.2369 2280181.1620 2187850.5930 1856486.9810 1732191.9740 1979454.7920 1768152.4620 2056020.4010 2134195.7840 1235310.0730 1364187.7450 3727133.6330 2763041.6560 2440621.3060 2506371.1190 2298230.6700 2509373.1370 70544.2213 140274.7116 187331.4604 210327.5798
11-Aminoundecanoic acid 11-Aminoundecanoic acid 3477347.2870 3513417.4220 2673191.6240 2653299.0170 4064244.3740 3678056.6900 2512185.7960 2581419.6660 3639000.0770 3657524.9870 5806116.0070 5457983.3480 3144254.2470 2521857.8110 72365.6848 2687191.3750 4832034.4270 4091457.2280 3844951.6650 3676506.8700 2714816.9680 2654312.8550 1965340.9470 1776595.1380 1390900.7530 1400893.4140 1692702.6650 1869607.5630 2004287.9080 1544881.5390 3604862.7830 3158183.6670 3207049.0220 3573961.4740 43010.9563 40054.9431 41595.0146 38319.0849
(+/-)12(13)-DiHOME 12,13-DiHOME 3569102.3580 2890723.8750 3035078.7240 2916020.9530 3525234.9710 3013549.8910 3267542.7500 3209208.9600 3326826.5600 2957896.5310 1562613.2190 1595951.1730 2419285.6450 1843325.2780 3215416.2390 2628828.1220 2064690.6790 1916854.9360 3601869.9950 2964986.1170 3680081.7270 3528031.7410 3661432.3960 3062408.5410 4411501.9320 4573434.0580 7485623.8710 7644947.3000 3964821.4240 2974068.6360 4114175.8100 4756723.5610 4683902.2040 4129712.4060 79196.6822 151542.0754 153863.1161 232113.6896
12-Epileukotriene B4 12-epi-LTB4 317160.8427 314544.0460 275438.2449 386421.6114 1489383.2290 1481378.4540 1785625.9980 1718226.8110 3597518.0130 3266826.0140 1896170.8100 1959248.0070 683598.9974 491805.6025 2846890.2860 2306158.1360 2180239.3470 1985552.8610 447657.8017 520402.9910 304947.9446 381717.5008 112806.9289 122075.7911 227807.1289 168507.9618 170867.1459 178623.4919 355644.1489 243105.8295 1233748.7930 1145098.2680 1203499.8260 1213341.6650 33750.9571 27527.6926 26233.0325 27862.6493
12-Hydroxydodecanoic acid 12-Hydroxy lauric acid 5761852.1810 5632391.9110 5921556.5650 6342208.1050 6433848.6770 5889620.2280 7481857.1300 6547366.1470 4957469.1010 4763230.6770 3660396.9840 4400338.7070 5000309.8160 3887652.2880 5976783.0080 5507297.6380 5757911.9620 5563289.7550 5318834.9500 5196507.4930 7618958.7880 6221909.7170 6591079.5370 5469093.6700 7479342.2780 7488774.2720 6475433.9510 5770721.7890 7436230.2640 5842103.2400 6806328.7840 7270670.1430 7438239.9910 6730859.4270 263248.2844 282859.4276 330592.9516 376959.3168
13_14-Dihydro-15-keto Prostaglandin A2 13,14-Dihydro-15-keto-PGA2 2439660.2180 2282013.9500 1324177.9820 1052413.0310 627375.4336 460015.3183 2866159.9340 2864435.4330 1493491.4180 1415601.6010 8448482.7220 9765884.9170 482266.7978 396750.3411 927457.2904 1005521.0100 4905943.5700 4570059.6820 1869693.7260 1497764.9230 20845847.7700 18294012.2000 29998746.0800 24950718.1700 32391982.8000 28985673.0100 13253755.8600 12646566.1400 15239298.2700 11413675.7200 8347625.9020 11358942.2000 10959959 8469488.2280 66301.7231 75306.3100 91855.2306 63225.5206
13_14-dihydro-15-keto Prostaglandin E2 13,14-Dihydro-15-keto-PGE2 5943874.9350 5081572.0640 6594893.6330 6247828.0640 5218633.6670 5418316.1620 7451636.1940 6672099.6240 4672380.8940 4116588.3290 1738652.9540 1979249.5070 5411808.1860 4700072.4980 7408819.6590 6937644.8150 1427229.1040 1188091.1970 3544168.2150 3559649.2140 5431299.7450 3447968.8490 4960499.5110 4728414.4290 2065315.6350 1975617.5620 4487529.9350 4452833.5660 4468414.0290 3833421.6890 5486857.9460 6376910.0380 5578867.5200 5758534.8250 69948.6677 63836.2669 57330.6871 58110.0396
13_14-Dihydro-15-keto Prostaglandin J2 6712221.2600 6887238.0760 4040273.4320 4356354.4620 27407844.2500 25805389.6800 21535037.8700 21481211.0700 57226512.6200 53980253.9600 19487508.0300 20547003.3200 16416373.8600 12653393.2700 27387454.6200 24524611.9300 30556142.2300 26875084.3100 6046637.8000 6114830.6540 6158394.3870 5730977.1970 2617640.6140 2519854.6760 3861705.2140 3660655.1020 3000687.2040 2912364.0450 5489211.9120 4047814.0350 18113633.3900 18869481.2100 18918872.2100 18074529.3400 150111.2011 133352.4618 133763.2557 141561.0665
1-(3_5-Dihydroxyphenyl)-12-hydroxy-2-tridecanyl acetate 964719.3641 996370.3472 718415.4719 693284.6376 1782016.3160 1529469.0320 2914559.1900 3053710.3680 13453336.9000 13468842.2400 11335526.5900 11833464.5700 624886.1093 452834.8941 2723668.3340 2701601.1770 19156218.6800 17073001.5000 121501.0232 144025.4882 197168.4403 190433.9707 225550.7808 197723.1522 198028.2471 170342.1613 393771.3772 244282.0709 219315.6099 123310.1233 4334511.9320 4659048.0130 4371286.2550 4425037.5120 41247.6902 34908.6377 36451.5410 41264.1098
1_3-Dihydroxy-2-propanyl (6Z_9Z_12Z_15Z)-6_9_12_15-octadecatetraenoate 64269.9347 87281.0060 110585.0860 74073.2262 549090.7931 474238.2905 744712.1565 772070.8059 2204409.9800 2070412.4160 8204299.9830 8683206.6630 526488.0481 386428.8615 702665.8180 641633.1171 5140197.9600 4346290.2500 125206.9295 88557.4664 65117.8066 69208.7585 70168.3753 68923.5045 59544.5284 62056.3437 68192.5284 75838.9813 79869.8010 67226.9455 1467837.3200 1541249.4610 1531336.4610 1470131.1330 49716.0294 41217.1179 44507.3541 47695.7774
1-(3-Furyl)-1_4-pentanediol 9778583.4160 12981728.5700 9959991.0660 12875742.3600 10298600.8900 9712571.4090 10466535.2000 9587906.7970 9890009.8850 9449318.4190 10109596.4800 10715510.5700 10831562.4900 10763668.3400 15899297.1400 13436392.7500 10991800.4500 10106725.4700 10406044.5000 9641721.0640 9716113.2700 12215795.2800 19965202.5500 9421972.4830 12818365.0500 12684153.6600 14833704.8200 12255768.6000 9875774.1110 8460837.8990 8966715.5820 8256159.1320 8337232.9580 8932178.8870 5500720.3020 6091673.4040 6879782.5680 7138665.3640
1_3-Nonanediol acetate 2032325.1230 1950484.2010 1875246.6210 1751120.8760 2145607.8930 1833204.2690 3433156.5500 2982360.9990 1532593.9300 1632934.8830 246170.8332 337371.3838 563629.0357 407905.2869 1033027.4750 1198959.4940 518419.8750 429558.7050 384365.4014 549613.6734 1954925.9810 1940774.8050 2843180.6800 2438236.1280 3660012.4280 3748815.5020 2040911.2160 1864042.9410 2120125.5680 1708588.9580 2263528.3550 1739412.9700 1929721.9780 2199821.5460 250516.0540 198746.7795 190701.8700 261929.5935
1-(4-Hydroxy-3_5-dimethoxyphenyl)-1_2_3-propanetriol 1899797.0230 2010911.6100 9995435.6380 10582597.0200 2363119.6240 1843322.6990 5263411.2760 5354054.6590 5999922.2770 5896144.5690 412686.7023 79202.3481 6201438.6120 4945385.1800 86176.3730 102424.0237 853434.9095 533452.7644 3194168.7170 3012816.9880 6655725.4970 6265057.6960 1964319.3820 2558414.3490 5523028.6430 5399101.6850 4343411.5110 4309120.6370 6255549.3070 4589003.8970 4612752.1460 4748591.0060 4029077.1330 4913888.3690 252333.4232 218930.0838 315524.1507 30908.3371
1_5-Anhydro-D-erythro-hexo-2_3-diulose 29678010.6300 31261287.3300 110471047.8000 111524538.2000 44907271.7200 58234719.1900 56617904.7400 55716950.7700 44679706.6400 31751484.5900 40127625.7600 31151051.7600 349996.6820 2987358.8520 1818586.6120 3089960.0120 3576948.7050 4754663.1330 5112237.0320 2168330.2140 21124132.2700 22990499.9300 21959712.9500 23158975.8200 17707696.8200 18329906.3800 3842893.2620 3662817.0280 3192843.9480 2396837.3290 34993811.3600 39330089.3800 35102794.0200 2863356.5460 1070448.7580 110550.1497 1122501.1370 1157744.4600
(15Z)-9_12_13-Trihydroxy-15-octadecenoic acid 2465903.5400 2338747.6370 3325170.6570 3073561.8960 4933854.2720 4379403.6940 4624539.4700 4525704.3500 5896027.0530 5578548.6060 2748844.3260 3323324.6430 3969136.9790 3367431.2090 6045222.4110 5328696.7760 2204613.3910 2100665.3290 3809106.3490 3605953.4520 4676723.0900 4875814.1150 3680967.2120 3751285.8910 4907067.4070 3870468.6990 6316721.5840 5956460.5640 4240830.5080 2655416.9190 4722011.1230 5279127.7360 5038238.7270 4795672.6870 496007.7469 599734.2247 529755.2956 799233.0277
16-Hydroxyhexadecanoic acid Juniperic acid 13910059.8700 14258569.3500 20462566.5800 20843001.7500 16250442.9100 14082379.7200 19246726.8000 17902239.2100 19201906.9100 17302061.1200 9694075.1990 9805668.5930 11949716.8900 9877403.7700 20504031.8300 19059939.3000 8996492.7240 7464691.3330 14102690.0400 11716523.4500 19271841.9900 16523282.3600 13124429.3200 13954048.3700 11696094.7500 13096638.5600 16111644.7500 14226038.2300 15124806.0700 12206556.1400 17762437.3000 20302915.5600 19267992.3000 17995777.6100 92308.5717 172531.3437 341544.1072 283205.2961
1-arachidonoyl-sn-glycero-3-phosphoethanolamine LPE 20:4/0:0 202038148.9000 210340969.2000 199498812.9000 201652502.7000 217580329.4000 148933177.9000 293382207.2000 242313958.5000 259768128.3000 203735441.5000 305017242 230570776.9000 210435051.7000 187158700 233386639.1000 178241673.7000 212267256.1000 213813276.2000 299046164.9000 237804752.5000 141609258.4000 128927805.3000 196486416.1000 173769751.8000 189953408.7000 156591132 257824710.7000 225358318 212456151.5000 171653222 217667367.5000 300093345 252868451.3000 233440355.5000 7943632.3310 12722081.9600 18723393.0300 19612995.5600
1-deoxy-D-altro-heptulose 7-phosphate 1-Deoxy-D-altro-heptulose 7-phosphate 49572868.9400 49422604.7000 57100402.2600 60021680.5100 49063662.2800 47037492.8800 48184603.0400 50843038.4800 50018223.4200 47638109.1500 95230588.0500 91638268.4700 142815392.4000 87451510.3600 89721862.7700 80342728.6100 114987459.1000 106959128 68740294.6300 114780033.4000 46343786.1100 43661951.7400 45569875.6300 40042436.4000 41335346.2400 34566406.6500 39115623.6600 33601798.8100 45755846.8900 39908220.5600 63404995.6300 56451876.3600 58406121.2900 62050516.4900 122089.2881 113609.3906 122111.7246 188799.9174
1-Dodecanesulfonic acid 900856.5041 431682.1387 194444.0886 220101.2039 153450.6113 263335.0312 340484.2727 1130599.3680 321125.8822 268293.6505 181442.9140 206477.2144 357780.4766 191369.2588 216777.0551 195003.3353 193166.0808 215288.7866 4433801.0930 3611076.1460 3935548.6230 4844123.3430 8217222.8390 7011727.8880 37532659.3400 22174618.5500 15182856.5000 17862899.2800 3130714.1490 181257.6769 4949519.7650 5888713.8350 5045178.2920 5244004.2590 216559.8905 177851.5751 192314.8510 220502.8219
1-nonanoic acid 9244027.0380 10131926.3400 13659660.9700 13959286.6900 2898531.0760 2210307.2370 180905.8395 520965.2556 2233090.2340 1989022.2030 727725.7114 709741.0787 2628677.3870 95612.6881 6655146.6520 5468658.7290 2611917.9810 2466428.3750 3875023.0240 3721512.2990 10399521.8100 10069893.2800 1735184.8700 1395474.1220 8968093.7280 9474162.6400 10909736.7900 11663285.7200 4385963.3590 3712161.5070 5289029.4070 5155984.5900 5009777.0950 5317613.4190 61306.6174 2939880.6260 2879440.0200 2629983.8130
1-O-Phosphonopentitol 58958725.5900 58085196.4300 62203239.8000 60044168.6800 73131233.3500 52064297.6400 73171447.2600 69996226.0700 72284790.0400 63643552.0700 40350672.2600 39332867.7800 70707029.3100 53714571.5000 82289051.8800 73883527.1100 27690523.6700 26955166.4800 48311802.1800 43339396.1800 46762924.3700 45559943.5800 52487584.6400 39583845.9900 47510092.7500 49983444.0300 51831754.6600 49989186.6600 55831933.4600 41557518.3900 53606325.1600 46899123.3700 46182864.9800 53166667.6300 73184.9592 61780.3885 115851.8599 187795.6098
(1S_5R)-5-Isopropenyl-2-methyl-2-cyclohexen-1-yl beta-D-glucopyranoside 6222747.7200 5583334.1490 5450228.4900 5875091.0380 2716475.8760 2744432.2960 2958516.2690 2975479.9380 4235676.5430 3618526.3040 511117.1945 498631.7304 247146.8982 303823.9799 6237752.2450 5363667.2890 381201.3706 425257.3931 4839266.4530 4606256.4400 920048.6470 172391.5774 1333458.1490 789463.3136 217901.6508 290068.5280 434534.5758 279505.7675 155135.7593 653952.9996 3050332.7980 4270640.7590 3499956.6710 3227081.9000 51323.6134 276052.0907 344230.0427 476331.8818
20-hydroxy Leukotriene B4 20-Hydroxy LTB4 4302081.8750 4688457.8660 7095720.2970 6743426.4810 7369601.8910 6983291.5350 6071559.7440 6600642.7480 11467735.4300 11328511.6300 1592343.5470 1306058.5100 4463115.7620 2594520.3590 7648027.0690 7694986.9330 1679372.3130 1485593.5400 1574851.2930 1952977.7560 3294833.9640 4271552.8820 1315568.5000 1534172.0210 1363251.2710 1348634.3250 2399065.8150 1893813.2070 1898812.1080 2648578.9570 4582411.0460 4013441.2450 4081629.5440 4526197.7920 63234.9450 45896.6104 48062.0051 49856.9820
2_3_4_5-Tetrahydroxypentanal 681352.5191 1290276.9300 2656913.3570 2753440.7290 581191.8872 688001.7556 1447392.4400 1439314.2440 2553394.0480 2724750.5030 1366586.2070 1577586.6980 1565427.7850 1318602.3890 2596617.1320 2364223.0530 8432297.5610 7148282.2660 1220400.1380 1572588.9710 1970425.9420 2247498.0160 1917449.7230 1547813.3840 2296579.4070 1900903.9180 3910646.1950 3649577.2140 4786970.3730 3153531.2790 2039181.8200 2021722.6500 2366279.0860 1949374.6620 85176.6628 72349.4953 119411.6761 113622.3190
2_6-Dideoxy-3-C-methyl-beta-L-ribo-hexopyranose 3099455.8520 4059597.1790 1876839.3100 1823369.7500 2901183.4740 2849391.7350 3481064.5450 3463095.1270 2024054.6280 2585820.2140 4616125.3110 4476650.8300 2916133.3650 2879799.6580 3847519.8290 3968719.9300 5989740.1750 8400594.0090 3541361.2880 3515742.9590 2224678.0250 2369979.1230 2141871.4950 2236343.3850 3259634.6870 3193375.4370 3395682.7690 6338616.0490 5086469.2070 4619571.6890 2468834.5470 2323011.5260 2300391.1170 2456720.2720 200467.8458 192610.6143 178436.5587 174165.0133
2_6-Dideoxy-3-O-methyl-L-arabino-hexopyranose 7631467.1940 6658833.1050 4090964.0660 3642407.3780 5633101.6000 4207400.7220 5670120.4630 5129197.1090 3839880.6040 3435039.0080 9104819.4460 9174391.1140 6703423.6780 4972361.0590 7490576.7680 5659203.3160 534360.9281 359278.6187 8224331.4550 7300452.1450 4645201.6960 4459053.0430 3896912.1890 3627643.8320 4032542.2260 4468347.8510 3393021.7510 4595713.0950 4017722.9820 229039.7322 5969403.6850 5604043.7770 4899613.8690 6111211.0230 69355.8133 55327.0587 184381.9578 160436.1317
2-Acetamido-2-deoxy-D-gluconolactone 27499792.9000 26682843.9300 26929182.3700 27443435.8800 31726099.7800 27658725.4200 23934877.7100 25177343.9200 24048740.2300 20082007.1900 417840.6652 13220198.9300 16905421.6000 852152.2173 25849655.0400 24495584.9500 982277.0069 889063.0838 19330288.0700 20122281 22419767.0100 21965524.1200 24108322.6800 21946879.4700 18191353.5500 18174922.1200 1220188.7810 1092790.9720 1191887.6730 841645.7832 25661524.7000 26365681.4100 25066629.3400 26106536.5500 269232.0837 342479.6677 28385.6029 277942.8162
2-Acetyl-5-hydroxyphenyl hydrogen sulfate 14545511.3500 14440029.0200 19381811.4800 10129017.8500 7807436.4410 6768643.8490 24996062.4200 13823514.9900 23481300.9700 26073322.2500 16048224.4000 17820137.0100 7733427.9410 6132186.1090 18162680.1100 17405832 15331568.3700 12350086.2800 11900079.2900 8969664.3630 14522997.1600 14677736.5800 15322380.5300 13347175.6300 23812361.9700 23058500.9400 37373249.6600 34885788.0300 23408097.4400 17591332.9400 20860029.4800 28589167.9400 24262142.2900 23257522.0700 70235.9667 50854.1800 48628.2799 37139.2817
2-(acetylamino)-3-(1H-indol-3-yl)propanoic acid 4535828.1610 4531765.2700 3922986.6370 3936711.2290 3410660.7350 3088736.7160 3271040.6000 3096793.3280 4243511.0180 4110959.5290 4434349.8680 4400025.7430 1612984.4980 892441.8290 3024448.7730 2623091.7930 4167174.7810 4391434.3220 4945869.9000 4281309.6380 3403735.1230 3238719.3460 3587863.3570 3185838.4310 2847637.4290 2854467.6030 4431017.2910 4031330.4110 2902998.3960 2056997.2090 4335961.9080 4306810.4160 4552391.6850 4261463.9800 60116.3731 101830.3490 104852.3040 84447.2331
2-(Acetylamino)hexanoic acid 19603501.6100 19308404.4800 16703916.4500 16786324.1800 25242015.5800 23584208.6700 16266542.2800 16147865.7800 24489177 22957658.3800 12178286.7900 11549066.6800 14255379.4800 11930168.9800 19665868.6600 18726848.7200 11485227.7400 10140762.0900 13928671.4400 13290097.2400 13732004.8900 13343405.6200 12862856.6800 11371887.8800 11067413.9200 10522329.6100 19963838.4600 19265984.5200 16405169.8500 12559804.9900 19341532.0100 18602328.8300 19368308.3400 19090455.9800 158208.8929 191927.0520 186393.4593 30243.8316
2-amino-2_3_7-trideoxy-D-lyxo-hept-6-ulosonic acid 2-Amino-2,3,7-trideoxy-D-threo-hept-6-ulosonic acid 5519516.2010 5605927.7290 5229177.6290 6097485.1190 10276130.3300 9407101.8390 6201723.8650 6332878.0180 6484039.1830 5959662.1470 2731262.0820 2525185.0280 5029191.9670 4193772.9180 6630708.9190 5646006.1030 290900.6852 279848.9609 4397619.9480 4572687.7780 3737248.9510 3187181.5000 4402788.9090 3616996.5210 3019022.1390 3219298.8470 4747373.7230 4704748.0210 3583369.8300 346634.0436 5578906.7120 5503949.2010 6172160.7520 5338519.0440 133418.8363 176107.0658 93885.5390 127779.6951
2-Aminooctanedioic acid 7650368.1840 8068867.2810 6426331.3550 6683753.2180 7946929.0080 6568245.3270 6057285.0930 6024695.5590 9003868.5010 8412413.6620 3944532.4240 4055541.5220 4627194.5160 3947222.9160 6308070.8990 6073988.2860 3861488.1020 3065835.9830 5503533.4110 5579569.5190 4925024.1160 4648805.0650 5450820.8670 4532501.2550 3726037.2130 3960486.0730 6770938.3780 6340952.8770 5485954.4120 4176777.7470 7239515.6470 7788576.5340 7037829.2460 7490844.2010 50585.3410 32197.6428 32780.9612 32540.7066
2-Deoxyhexopyranose 71771594.9000 69782729.4900 60613726.4600 66636681.2100 44694134.5100 47110028.4200 52689887.6200 54699055.6200 71322720.5200 73268248.3400 85730761.8200 85155271.2700 70105350.0800 73596172.1600 62615974.7200 71333697.5500 97087521.5300 98031781.7900 74263298.4700 84279926.5400 88839377.4400 94505448.1000 69417364.8300 68605591.7000 70895301.9000 69291740.4000 66082015.4400 70353128.4100 72874621.3400 72114957.3500 78150934.4200 80416733.9000 76659590.3600 79416506.5800 1076823.7600 942269.6041 893933.3006 1172782.7220
2^-deoxymugineic acid 6072014.3310 5208024.0410 9659074.4540 9252054.2290 4920821.0020 3812828.9620 5169739.8320 5706275.8030 7504882.7360 7213378.9200 4735812.0480 5023416.2810 5858617.0350 3237497.4360 5863231.7410 5221044.5730 457779.8871 338870.2423 5903601.8430 4982428.0930 6265982.5630 6770867.0230 6849758.6000 5474314.6760 3394196.2540 4019329.2290 8536325.1710 7257383.4070 7360539.8360 293700.8641 8758555.4840 8805056.0310 9059005.6680 8671404.9020 56990.7944 65934.7448 48173.4226 79310.2971
(2E)-3-[4-(Sulfooxy)phenyl]acrylic acid 1768235.3300 1810580.6220 4725924.1160 4863190.3350 10341499.1400 9581026.6130 7930440.8540 8916447.2150 11574830.1600 9913201.8570 8370583.1790 8062835.0670 5267030.9360 4177196.6250 291136.0573 174878.5733 1749227.1850 1534530.6190 5771373.8730 5734873.3920 108572174.4000 106869939 8301915.3290 7530709.6770 10166997.3000 9891852.2500 117949768.8000 124188340 9249821.2890 6669652.2770 28580577.0900 29759082.1600 29516093.3000 28615776.9600 35717.8371 34345.8895 35871.3105 36569.2122
(2E_4E)-2_4-Heptadien-1-ol 58850318.5700 55644476.2400 100637703.7000 61162950.0300 9290792.5190 8286517.0700 2792969.9900 2963973.2640 9943804.8880 8968469.8620 2597981.6040 3161950.6390 3444935.2870 2709264.5940 29344621.2500 28081364.7200 5065787.7270 4453958.4430 11202505.3600 33745665.1100 86620380.9700 85074009.1700 43168531.9300 37471597.6200 61096120.6200 65899216.0400 102994635.8000 65329161.7400 70977126.9800 62838882.7600 63612821.8700 65946664.3600 61666785.4000 65075730.4000 8369928.8320 6166493.0190 7022637.7260 182534.2852
2-Ethylhexyl sulfate 562582.8295 669067.1918 254509.3906 287943.8343 699996.0819 555029.3380 670336.8425 680668.7640 79069.3909 230528.0669 169158.3343 204737.1376 323426.2857 226776.5178 679016.1013 583824.4998 341559.6758 287044.8405 501103.9881 692514.5197 10616453.7700 9949968.8780 69243130.5000 62243264.2900 79934.0254 1426078.4700 2864487.1200 2572382.8170 1115412.7980 744080.1666 80297.4241 7450136.7800 7426965.6760 7450764.5870 235752.9808 42840.5583 81620.0169 55119.9545
2-Hydroxy-2-(2-oxopropyl)succinic acid 102897469 107109019.3000 84806574.5000 88750044.1300 77253600.1400 72423759.5200 103020537.9000 105387262.6000 109591188.5000 102487924.6000 106476954 101215569.5000 116681942.7000 841551.8852 103970196 99395371.4300 692807.0910 658342.8559 102492640 102065537.8000 121273285.8000 117401189.1000 107100902.1000 567923.3369 87908514.0200 94011225.7600 1217282.6450 1055833.5600 612212.6496 795518.4018 122883337.9000 127512681.3000 124231386.7000 123937086.1000 225942.1691 233839.8967 37983.4416 186447.0440
2-Hydroxy-4-(4-hydroxyphenyl)butanoic acid 2039582.7810 2403949.5460 2610973.8730 2408327.5460 3466397.8740 3133681.5890 3172124.7180 2706405.2740 2892192.0490 3312457.6030 2334254.9320 2473790.9620 2156929.0280 2088273.8200 2111702.3020 2095341.2570 2152308.3070 1706893.9830 1609656.2890 1674740.3640 3972281.9920 3906299.0690 4135432.7550 4291465.3620 3944476.8650 3944768.2150 3466620.9740 3508509.8840 2969773.3850 2913885.2750 2763584.6220 2679031.0010 2747384.2580 2740499.4700 89624.2321 266835.4919 339317.9618 105074.7089
2-Hydroxy-4-oxopentanoic acid 260232.1711 856414.5474 1689206.0390 389399.4924 1173439.8370 3132180.3020 1194972.6780 1290759.1930 699250.1117 2453917.4380 1560800.7080 1708258.7080 560687.8088 1920310.8340 1408505.4240 621789.0225 1142801.4180 1502762.5200 1086157.9800 2303743.1450 30326562.2900 26209308.0700 2386722.1020 3212218.2960 840473.6102 2826893.8890 1843675.0320 1201187.4850 915046.6000 2280606.9740 4052719.1390 3947084.4180 4212300.7120 3963960.1270 89463.5815 153376.5570 2095047.3750 2109304.6630
2-Hydroxy-6-methoxy-4-vinylphenyl hydrogen sulfate 1117576.0200 1182157.7930 8189245.9120 7411152.3260 718560.6852 738177.8083 12532689.1300 12203624.7800 1358821.9100 1239658.8100 8996391.2790 9004198.7890 6388783.3330 5124345.7570 1268935.0050 1269901.4250 637105.0832 555600.1755 3346357.3050 3294846.2010 10247254.7900 10228248.5000 6776465.3220 6345079.4120 13064452.5400 10704544.2100 5604284.6560 5663719.1310 7387464.4000 6054465.8780 5389477.2400 5441298.9660 5752751.2830 5276985.6440 33770.1576 32527.0193 99080.2086 176486.4468
2-Hydroxyhippuric acid Salicyluric acid 3290119.8730 3222535.6710 1385940.8730 1477465.4850 1894182.6820 1806119.1050 2361167.5320 2194419.1670 1271062.1500 1330887.3980 1067785.2850 1062985.1880 988927.0333 812894.7495 587351.9723 616420.8493 1352104.9930 1105615.4000 2306532.7710 2323359.5030 19270204.7500 17158847.0100 7007023.4800 6063589.0170 6302504.7860 6764762.8560 15823485.1300 14811552.0800 14201876.5700 11203155.4700 6314327.6130 6149801.5710 6418731.4160 6224127.0530 82551.1370 128251.1862 126566.7077 147016.1234
2-Hydroxymyristic acid 2-Hydroxymyristic acid 9564303.3520 9930128.5740 12636515.7400 12563569.3300 11213476.4700 9835136.8280 10757593.4700 10959609.3200 11800648.9200 11652513.6800 6113493.1160 6482150.8190 9351352.6570 7498631.9270 10177370.4900 8979315.5060 6572058.9620 5858243.4950 8401721.0510 9569826.1440 13272922.7600 13091918.4500 11467267.5800 9907918.5820 7604158.6960 7897785.1490 12524228.3700 12480814.0900 13842277.1400 11003631.4900 13037383.2800 14494985.9300 14012440.3700 13177951.7400 118171.3259 187232.3964 199157.6764 160590.4951
2-Keto-glutaramic acid 2-Keto-glutaramic acid 3794078.4270 5281043.4260 11352368.8400 5345637.0830 6052002.9750 6042606.6970 5549156.7830 6038448.4640 7529517.4170 6752024.7390 8221553.6910 6345566.5230 11677089.4100 16639366.8800 7982193.0990 5683356.5060 8500431.3590 6520102.0680 11611086.3000 4748724.6120 5083599.0110 4176306.6470 5109232.5180 4186644.3570 4177195.8820 598389.7670 2621155.1660 5223019.0960 6230232.7620 11774061.8900 6954587.3260 4317783.5030 6357385.8570 6189889.2280 910447.8745 278262.0697 496697.2853 305788.3139
2-Methylbutyl beta-D-glucopyranoside 789721.4098 762135.6843 963231.4507 872529.4621 1580195.7600 1198499.0800 1555363.2810 1427780.7970 1103902.6870 1059711.8660 763790.4079 781617.2841 720387.2798 633654.6103 737223.0925 698558.4164 1047710.3740 1127648.0900 575711.6025 538000.7235 2774551.9820 2401383.3590 1832011.7420 1670959.0680 1501715.1950 1556680.7970 4009461.8130 3953840.1730 3650196.5280 3355911.6940 2146654.7400 1947070.3780 2041138.7790 2119222.5530 416456.5065 323066.7021 354325.9849 293278.0336
2-methylcitric acid 2-Methylcitric acid 100871733.4000 100318863 112281830.7000 103623657.5000 62111024.5200 71945961.6700 82758272.5500 87559832.1700 102822062 96429608.2200 45922183.0200 47973194.1800 36666453.3500 52355385.6900 75407648.3400 85267451.3500 48798142.4900 55437927.9200 51588597.8400 53407715.8000 90465298.3000 84054344.6000 118589720.7000 144926115.1000 96132280.8400 92202062.5300 108031711.7000 112099227.5000 187535840.2000 149746024.8000 76395161.2400 87688701.4900 80330032.4100 78187938.3400 194665.8312 269583.3310 411841.8458 169259.1233
2-(Methylsulfonyl)-3-(pyrazin-2-ylamino)acrylonitrile 662611.7198 2589091.7210 673850.1040 2796824.7650 406998.1963 2123901.0320 533654.3060 3424097.2610 379379.9138 2410657.8950 468740.4243 3076706.3550 364242.1030 2808799.0580 369901.0404 2268409.9230 426771.9453 2865257.6400 702069.0145 4395173.1720 581435.1146 4004106.5320 393391.3412 2499359.9280 537922.5921 2685142.4870 644365.1536 3577296.1570 438105.3370 2043315.5880 5823529.2980 7916332.5490 6761826.2360 6311007.3590 488594.7537 444234.1837 327699.7467 331856.3609
2-Naphthalenesulfonic acid 17332699.6600 18798720.2800 888804.9821 77947917.5700 58594159.4300 52762502.2700 278731.5299 65374727.2800 70798340.1800 68332814.9900 32752195.0100 32619791.6700 83751419.7600 69499628.6700 162236908.3000 148576485.8000 694097.9930 135104.3359 50145349.7100 48148170.0500 21776155.5700 21093875.0900 27867799.5600 25096887.3000 31152999.4300 30805082.1100 54909047.7000 54264475.1200 67442385.9500 56267579.0900 76906970.5500 75783549.7900 75411908.4400 77071511.6800 189771.1703 350316.9617 1511685.1590 1370555.8970
2-Oxo-1_2-diphenylethyl hydrogen sulfate 92111.6319 89146.0320 1135040.0240 1141815.8170 87749.4071 85886.5713 95434.2537 109987.3260 129483.3544 89800.4230 1661963.9450 1661397.4610 88611.3777 80417.5494 142039.7155 91514.8527 186774.9760 161865.6910 625896.2013 656480.8108 14598079.9700 14455969.3900 17363505.4000 15060179.5500 45626055.7800 43171104.7900 17288675.6600 16540917.3100 5850125.2780 4920586.5810 5871790.3910 5478069.2010 5470096.1680 5860441.9160 66691.0837 52089.0064 55133.5704 58174.0809
(2R)-2_3-Dihydroxypropanoic acid Glyceric acid 30960542.8700 15537614.6200 11948198.4700 35245500.1200 5670357.1680 14065120.8600 16473311.8800 8941953.3360 9059871.6330 10543520.1400 18965775.0400 18387977.8300 32593890.9000 13392293.2900 7177465.9810 11042000.7800 12187095.8800 5690994.3750 26160602.1900 25973802.8600 11917905.7200 35016701.3500 7184136.7030 27369840.9300 13652209.6600 11825213.4700 9171059.9110 11237880.3000 14511211.6000 13323264.8500 22247239.1700 22084800.3400 23662886.6600 21590712.3300 1387193.8510 1467054.6300 1466293.4680 1704410.7010
(2R_3S)-2_3-Dihydroxy-4-iminobutyl dihydrogen phosphate 20544971.5300 18408887.1500 15507607.8300 23747765.4100 26376773.5600 21135358.8100 17467789.9800 20744117.8300 32121675.1200 18762050.5300 14410961.8100 14772227.7500 15253576.7100 11856889.1100 13017303.1600 18997141.3400 18870461.1800 17702140.7600 15428085.5400 18808423.8600 23980607.9700 17262266.7900 16247591.9900 14451919.1000 20180327.1300 14598440.0200 18373492.6900 16558442.2200 17271798.5800 14605157.0700 20843361.7400 18410165.3700 23948617.4900 19133260.8400 89137.2359 74136.1206 66341.0554 59152.0991
(2R_3S)-3-isopropylmalic acid 6199190.2840 9550950.2050 16872060.0500 16926383.1500 1303178.0710 2094456.6790 6204683.6890 5967271.1070 4830780.5180 5077629.8490 4180478.5510 4348383.6130 2116432.3950 3817976.7400 4846187.7490 5238938.2310 7336263.5810 6347066.0320 3194301.3720 3877980.5180 5459333.9270 4713938.5580 6062937.6960 5602183.8090 11216168.0800 8315946.4930 11787747.8000 12247296.2300 11619883.3300 10997580.0100 4320977.9370 5513954.2310 4817429.6840 4752187.2290 1255414.6500 923719.0477 58105.5504 47826.9245
(2S)-2-Amino-8-oxodecanoic acid 1874087.7710 2024925.3960 1846726.6880 2414359.7400 5608863.0490 4734081.9650 8178340.7260 8113550.6210 4596759.6290 4531302.2410 4652158.9200 4942715.5180 7424398.4470 6451074.8000 27234315.5600 19121734.4700 15540069.5000 13943496.0200 3757283.9280 4573118.2560 1190509.2180 1001131.8920 1041687.4060 781414.8684 179688.8433 215144.4086 1597629.9720 1696811.3070 2504733.8540 1070785.4940 5501951.5030 5338234.7490 5494071.4790 5449757.7640 45627.9802 55350.9588 61546.9959 45070.6047
3-[(1S_4R)-4-Hydroxy-2-cyclohexen-1-yl]-L-alanine 4026619.5400 3838749.0370 3066540.0740 2698416.8750 10088049.2000 9756284.3650 10277555.8300 9921149.7380 6732554.7070 6268072.4420 4661285.7010 4784805.7270 5569890.6450 4536799.9560 16497580.9800 14881296.9200 13348235.6400 12069301.3900 3844770.2730 3360719.3290 3452882.5130 3289337.8900 3914431.2210 3282904.0090 2897210.5300 3040933.9670 3850826.0150 3761975.1600 7058591.5210 5260232.7530 7105064.6730 7367683.2750 7371180.9310 7097116.3130 30454.7463 106857.2133 122827.7100 131340.8935
3-[(2Z)-1-Hydroxy-2-buten-2-yl]pentanedioic acid 1466005.7200 1281280.3210 3082587.2750 2727513.8960 1258311.3930 1013916.3750 3298778.5670 2658460.2130 2443044.6800 2131988.6970 1416629.8570 1318380.8560 557736.2414 440998.1585 913541.8683 744281.1156 1539816.8010 1247259.9920 599590.4749 766329.9643 2295528.8600 1915770.5980 1564892.5020 1292284.1490 3263518.4670 5304585.2140 5325002.6670 2970783.4320 2248001.9210 1792690.8670 3055503.1290 2018080.1300 1761838.7150 2750086.6820 92276.5752 128428.3908 996280.5250 148572.2197
3_3-Dimethylglutaric acid 1024568.4560 959443.3601 6071470.1160 7301077.9130 1827558.6510 1773514.5390 3687395.5500 5073466.9040 647254.4554 560176.3392 1508240.4830 1611405.6720 6431028.2850 4999909.6020 11365364.3200 10402798.2600 921243.6759 683247.2528 1188492.7870 896753.9322 26816175.7600 25187172.8300 10669710.9000 8774617.8880 21898156.7900 21986736.1500 14847797.8600 15106059.7600 28484604.7800 20470761.0100 9826530.2070 10255939.0100 9896313.7520 9943070.8120 154416.1498 401240.3072 197264.6096 1701405.5960
3_4-Dimethylbenzoic acid 3,4-Dimethylbenzoic acid 6401230.0750 6987299.6010 5186745.8690 5253699.1990 7434321.1380 6588780.2030 7282228.1430 8214394.2450 5072084.3060 6052244.6020 2719230.4620 2263353.9440 4770987.6030 4210673.5910 9386349.6950 8603639.2100 5539515.0840 3469785.8820 1968857.4230 1571904.5930 4422481.0500 3857589.9580 6953871.7200 5255853.1640 7756785.7090 7925579.9450 8067799.7720 5897719.8260 3004320.2980 3657701.1180 5902086.0760 5567480.8720 6585093.3650 5560193.7000 559844.7182 620036.5417 683901.5086 552348.4675
3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acid 9304203.5350 10587391.7700 7559685.4060 7102233.3960 5493919.7770 5921669.5000 2704428.3180 2533442.8980 6396632.1150 5446835.9780 7330192.2270 9232485.4530 3369974.4600 3163215.6590 2303152.5740 2270435.0350 8642256.6320 7949540.1780 4396990.6160 4281289.5200 7785568.2180 7948945.5970 7260423.5880 6059102.5510 3154566.2550 3043805.0930 3234674.4990 3259269.0180 10788626.8700 8377015.1180 7599721.5060 7613846.2040 9085739.3690 7119883.8730 669017.0464 411587.5263 661150.6373 802157.0267
3_4-Methylenesebacic acid 17062825.3400 18019160.3500 21996777.7600 36166687.1700 21020161.0800 22192497.0700 15614492.6000 10067180.4400 9368985.5780 9553434.3580 24594512.8900 16460217.1400 27579731.3800 21829195.4100 17016543.5200 16115682.1800 10193254.9500 10102505.0600 16937979.7800 21463496 40214586.9200 41283472.0200 58048616.4100 40261697.6300 17205340.0100 25066714.5600 12369982.8700 13247281.8000 24118747.8500 11589719.6400 41580057.4400 21493595.4000 28645321.0300 37808218.2800 10893400.8000 6593236.6800 8928128.8320 10599901.3800
3_5-Dimethoxybenzoic acid 561077.3278 539452.0634 611902.9333 707369.3311 519626.7988 495072.2348 678379.5755 745358.1256 605003.8484 546818.5956 692819.6266 699338.1954 302761.3645 298107.3875 309286.8342 319298.9235 272532.3015 217505.7242 591592.7375 565079.2631 3885730.3670 3832279.1900 2926341.6110 2460839.3700 2401651.9050 2275746.0030 3285807.0480 3187164.1010 4027105.2740 2906450.4500 1506772.6370 1878485.8530 1686648.5440 1570134.0360 219955.9856 181942.9900 209170.6210 239672.8940
3-Allyl-2-hydroxybenzoic acid 2898033.3640 3074380.0420 2530181.8460 2566973.5880 2452785.7950 2357233.2460 2983473.8220 3068509.0470 2284841.7430 1838213.1790 1693505.3900 1881014.6070 1668116.1620 1893709.5710 2074845.5470 1962775.0330 2144643.5430 1876964.8180 1510640.0900 1284252.6250 3080477.8370 2992263.6980 3030101.4300 2567454.4680 4402210.3080 4081583.0750 4018622.4140 3524277.2670 2966585.7270 2212716.3400 2454573.4700 2590529.0410 2360617.3230 2532006.6930 1272655.4160 1359234.7760 1398749.4150 2002116.3770
3-Hydroxybutyric acid 3-Hydroxybutyric acid 115354088.6000 136155343.2000 101095964.1000 92713947.5000 94719492.4400 171216947.5000 80852224.8400 98698100.6800 128243761.3000 159388933.9000 45201198.0300 38873573.4900 134194764.9000 181546146.8000 200571896.2000 313641969.2000 198042311.7000 247512514 72840465.7800 55611465.4300 9205728.6090 14373383.4000 9724702.9490 147855696.2000 15232859.5000 149843444.8000 223800345.4000 241091007 231850156.2000 171576217.8000 4643982.3650 55858202.6600 84348609.3800 47739244.9300 93569.6278 350757.0505 4398692.0280 6680849.9920
3-Hydroxynonanoic acid 1619885.4170 1567336.6530 1448617.3720 1406114.5350 1570872.2760 1709211.6540 3915695.3830 3823375.9390 989342.5235 1049810.6330 507205.7426 557726.4598 412174.8018 375753.8750 359346.0361 548326.4335 422431.5182 555309.0356 436419.6464 478404.3970 1884647.9000 1816310.7280 1648628.9190 1717706.1670 2438370.3440 2549447.8140 1704159.4940 1745274.4360 1460651.2460 1222962.3080 1861347.9020 2027479.2890 1935303.5420 1900198.2510 582535.0562 652092.3352 610069.3490 705897.3296
3-Hydroxyoctanoic acid 3-Hydroxyoctanoic acid 4483522.5550 4721861.0750 4420848.7850 4581975.7570 3429188.8750 3206562.6560 522393.6343 410719.3770 1229437.2290 1184949.2230 658598.7538 640028.1171 815178.1930 625110.4549 6409915.0770 4659644.8440 1699106.7550 1587962.2980 4245196.1770 3616679.0460 9834972.6170 9803743.3860 2301682.8980 2289082.1380 6188102.7660 5521192.9490 5992317.3860 6642042.9380 7896697.3700 5155733.2260 4621545.8900 5345958.6720 4150092.4890 5039823.8760 542678.5325 34709.4106 881487.5697 1165464.2090
3-Hydroxysebacic acid 3-Hydroxysebacic acid 9138407.9720 8456403.1300 36232924.0700 33709892.3300 4581813.7050 3903582.0790 4509020.4020 4412272.0480 6552767.2950 6779473.3830 3281006.0160 3243710.8200 4693548.5540 4042758.7780 11327496.7400 10049120.7200 3796388.4660 3589251.3170 6293096.5660 6176209.4990 30501869.6700 30148348.5000 14101211.3900 12796824.7600 40874963.1700 43742203.1600 21077723.3700 20090545.9900 30532317.1500 24407818.4500 16565871.9000 17100365.3100 17240669.5700 16519384.1600 470738.7485 325897.1484 25394.2355 416641.0987
3-Hydroxysuberic acid 3-Hydroxysuberic acid 1833891.5830 1547732.5690 519659.4833 787586.5326 573014.0464 594744.5966 837928.1603 826366.6993 269391.1526 348963.9948 2802296.1460 2966335.5690 623748.3004 656391.6074 47896.8751 735700.1111 813255.6826 718938.7251 215186.3080 151212.3608 1815754.7260 1758060.4940 3193418.0060 2413053.9320 1447854.2970 1421484.5940 2940078.8540 2677171.4350 6272754.0280 4201845.6420 1767770.4070 1912268.4020 1991577.6300 1763951.3770 593633.8465 31275.8262 64070.6296 25908.7559
3-Isopropenylpentanedioic acid 19069483.5100 17724431.4600 39537172.7600 39847243.5800 2704296.4810 2519286.0380 4771078.0750 5837825.8530 6295465.0440 5288044.9360 5243158.0750 7565373.2030 12517397.8500 9028235.1580 22376065.3500 23465331.4100 4396584.6590 4233472.4190 10769334.7600 10021702.4400 24513390.0600 25819777.3500 24441069.6400 22012819.4600 32190727.2500 31716908.5700 20166998.9700 20232278.0100 29792577.7700 20383098.2900 21641545.0100 18859571.1900 18629384.5400 21760323.8900 1235763.6740 1892339.9280 399081.6401 2121544.2440
3-Methyladipic acid 3-Methyladipic acid 33075078.3800 41845514.3100 42064648.9100 41838695.8000 26794278.0400 26318268.7700 28849349.6000 27492397.1600 43126471.3100 42723136.5800 22842530.8600 15412117.5800 20561620.6600 18422049.7800 24429576.2700 29319451.4300 19490764.6800 18662763.1100 23435607.0900 20628656.4900 49695526.2400 60733885.6700 63525387.6600 55715998.6600 58889411.7000 58538006.9900 68478451.8300 64941113.3700 50250170.4500 36633244.2900 48245489.3700 46377103.3500 45746164.9700 48608836.0600 503019.9353 581455.7783 681923.1102 1148301.8400
3-Methylazelaic acid 1037671.1600 1028638.9600 1867146.7430 2367114.4480 734279.2030 681475.9028 1030573.5520 1108751.7320 1331146.4440 1929654.7290 764410.8199 921169.8387 1139149.9260 862490.1197 1328865.0200 1235979.2150 475054.7224 553128.6962 872798.7380 1129358.3250 7750007.6670 8213104.6980 7572810.5690 6631210.0870 9698861.9450 10915396.7900 3077585.0790 2582391.6890 5186016.8730 4217897.5810 2532250.5930 3731481.8690 2330153.1740 3015908.0200 449134.5315 28222.2532 28225.0342 477903.1770
3-Methylglutarate 7740698.6040 7648978.8200 10984660.8900 11445388.9800 4591926.5110 4442174.2250 5758215.4650 5025477.8640 3289242.4940 3608116.2020 3058634.3130 3401144.8340 4817215.3580 3568905.5340 5497953.1910 4326911.3200 4202366.9820 4395870.8910 2340801.8010 2439691.7640 13807364.3900 13189646.3000 9219030.8090 7908120.0360 11604662.2400 12647985.4700 17612112.7800 13329098.2100 22653533.2000 15315573.3400 8586398.2300 8318342.4100 8078127.0450 8667564.6540 134565.9513 294507.7446 92911.7196 2617632.1300
3-Methylglutaric acid Methylglutaric acid 133045550.6000 119284120.9000 111551773.8000 154428413.4000 49301381.0700 52608022.7900 68296893.7900 67881445.8900 71954822.8600 67558450.4800 85408364.6800 73263585.3100 88656407.4200 80109423.7000 102466562.2000 107553015.5000 91960573.8700 87988920.1200 117012823 92979132.0300 166621219.9000 198844516.4000 164895998.6000 143270624.8000 140494101.1000 142404457.4000 179308286.5000 171350855.2000 148650093.8000 147664135.8000 90366082.3400 86629899.9500 88896997.6100 89620161.0800 1378456.5500 1898726.6280 1994187.5340 1737531.4900
3-Oxooctanoic acid 26358554.6000 31958150.4700 36247010.5700 22887307.4900 266887994.9000 228028892.6000 179689667.2000 175238316.5000 15605474.6700 15120722.4100 4757104.8780 4721843.9490 5570402.9870 6056244.2130 9422606.0610 9243875.3750 9073759.4120 10097101.5300 15684468.4800 16412484.9100 41472488.3600 42735147.8500 12053552.7500 9393769.5840 27426213.2000 30328882.8100 34595203.0700 28633594.9200 26131853.2800 41217462.4900 35428524.1200 52305331.2400 39391751.9900 38919963.5700 8058091.5530 9106283.1130 10155303.2400 11465811.3200
3-oxopalmitic acid 5967833.2730 5030896.6400 4187664.5640 4176306.2340 6558844.4360 5068299.7960 4229562.7570 4189893.1110 2402313.6750 2308514.8210 1389104.0260 1469120.4460 2247753.3480 2095840.4780 3737660.4620 4315719.0060 1507401.7890 1186588.1960 1848686.8900 1744439.7750 6700825.0830 6229465.6240 6126881.4420 3491848.1610 3408691.7100 4624159.2130 4183392.2370 3735233.1960 4130450.9590 1997486.1990 3792934.5160 4678725.1450 3243427.6600 4290229.9960 199486.8004 362580.2130 436130.0787 659205.3722
3-tert-Butyladipic acid Sebacic acid 39015787.7600 42222563.5500 50574735.8900 53019461.5700 50056831.8300 46709683.2300 45478393.1800 45180818.4500 44452818.1100 42710619.4100 31160128.0900 32488607.7400 32417340.5100 29070855.8100 44997963.0300 42032846.6600 33923045.7700 26228129.3200 30394959.6000 30176675.3000 62939900.0800 59874358.6700 58918955.8600 53936051.4500 59524529.3300 61277201.9000 76792990.9600 71794880.8000 65790585.9600 52849829.4500 57589964.7800 60823754.9700 55564682.1800 59356061.8100 1858837.5770 2267631.5450 2378289.3940 2782201.3900
4-(5_6-Dihydroxy-6-methyl-1-hepten-2-yl)-1-methyl-1_2-cyclohexanediol 2617979 2831778.0060 2869081.8270 2864139.4370 3347333.0700 3004265.7830 3095746.9880 2785218.8810 4078228.7730 4334501.8930 1991160.0830 2060691.2380 2551378.5970 2026006.6020 4076203.2090 3652712.1540 1882318.4580 1577688.4320 2694423.3960 2555211.8490 3919670.2000 3828559.3100 3435558.7480 3658680.5000 3971636.0690 3830242.8620 6129866.3280 6037706.0880 4389368.0330 3093689.2690 4068585.5130 4406317.7240 4323525.3800 4090931.0500 332925.7897 244587.4011 252275.5508 276438.3413
4_5-Dideoxypentonic acid 597625.8865 696247.4836 862277.3537 854399.1112 441197.2278 424642.0158 1011192.6700 1119654.0940 1010969.7580 645952.5132 1033789.7400 1308310.2370 2258750.7380 406612.6632 331434.3301 330997.8071 31319174.3100 21152649.2800 926590.3885 509258.1828 954578.7064 481660.0558 270367.2664 558449.9640 581312.7025 904266.7211 4889344.8240 4689639.5640 6963731.7610 2885378.4410 1137921.1520 1789504.6000 1021148.3740 1127606.1570 805985.2609 716626.9600 753983.7071 762571.6252
4-Hydroxy-2-oxoheptanedioic acid 4-Hydroxy-2-oxo-heptanedioic acid 102897469 107109019.3000 84806574.5000 88750044.1300 77253600.1400 72423759.5200 103020537.9000 105387262.6000 109591188.5000 102487924.6000 106476954 101215569.5000 116681942.7000 109325524.9000 103970196 99395371.4300 115852425.5000 273230.1579 102492640 102065537.8000 121273285.8000 117401189.1000 107100902.1000 97954090.1100 87908514.0200 94011225.7600 127091428.9000 132124757.4000 117956971 102663385.5000 122883337.9000 127512681.3000 124231386.7000 123937086.1000 149464.2764 161471.4530 40262.3757 182228.3222
4-Hydroxy-4-methyl-2-oxohexanedioic acid 15501941.8000 16354632.6600 13859641.7000 12285266.1500 11159994 9808723.8460 17351483.5900 18191016.2200 15292330.7100 15315590.5000 15326694.2700 12587450.2600 12570885.5700 10330669.5600 10714166.8600 12727780.8300 1518389.6690 618077.2604 11538297.4900 12192467.0600 15327660.0400 15843341.7700 13654061.2400 14227674.7400 18538026.2900 14447350.4000 19785926.0600 20451453.3300 16005007.8100 2087687.8520 15695259.8400 15226564.4300 15118813.0400 15736224.9800 340351.7366 73954.0006 70042.9569 69552.0584
4-Hydroxy-L-threonine 4-Hydroxythreonine 2279808.4770 2241533.3680 1638945.6320 2456932.4650 2927423.7110 2587190.2750 1833221.1840 2273646.9500 2502122.9300 1881252.1650 1962012.8950 1672729.1170 21176906.9300 22654870.7900 2639189.1710 6583075.9590 19582553.0300 18908947.9200 1749032.3760 2120341.4200 1597567.8900 643079.4579 9551533.4940 2789184.7780 5372247.3150 8281461.5310 22459491.5000 22750650.4800 23172001.3300 19533707.2300 6838366.1390 9203658.7890 6687498.9540 2323712.5240 42798.7466 46213.6706 46330.3618 60269.7924
4-(Hydroxymethyl)benzenesulfonic acid 24525656.4200 24185713.5200 17254523.1800 16617191.7400 23998794.8700 22309736.6200 68084320.9400 68527624.0900 158703458.4000 147948821.4000 42859717.6700 43069918.1600 9725699.3590 7873385.0960 7771829.4830 6920732.5040 18066394.2000 15179476.9800 121612866.8000 114157089.4000 14693252.7800 13512481.9200 13124236.9700 11551791.7800 18757196.1600 18252515.6300 15855337.8400 15609022.3600 21198306.2000 17263360.4900 46111849.0500 46954145.9000 46763378.2600 46132783.4400 40421.4883 35621.3246 36237.7474 38968.4513
4-(hydroxymethyl)benzoic acid 29319612.8800 28111571.4800 20403477.8100 19455791.0800 12470614.4900 11935018.9000 66571322.4400 67076525.1900 22446880.4700 22177871.4600 31216172.8800 31836367.9300 10519558.8400 8280451.6100 11497147.5500 10902475.1100 20166839.8000 18366028.3500 19195529.9100 18597764.2400 24781935.0600 24301571.9000 32297725.8100 30312641.9900 20700763.5200 19492677.1900 45104453.9600 43862077.0100 42985337.5000 34377887.7700 29467788.3300 28381903.6500 29764751.2100 29013668.8800 277666.8455 30220.5565 309752.8336 302245.0296
4-Hydroxyprolylleucine 841057.8906 869604.8666 1154531.3950 1071058.1880 1120859.2570 1087313.9360 847576.4137 788477.4583 2249887.0900 2107400.5450 1653617.4720 1795289.2470 2765339.2980 2330847.0430 1777886.8330 1667269.1660 2261814.4360 1899533.2910 1660428.2250 1492186.6120 1069515.6490 1034553.4260 1532033.6320 1363163.9150 2235577.6640 2309817.1770 807857.0140 822668.7159 1968257.3460 1519951.3310 1473307.3300 1544277.1090 1692259.5180 1425370.9520 27752.1986 26333.9264 24928.9222 26250.6714
4-Hydroxyprolyltyrosine 41919967.5200 42502805.3500 43039661.4200 43052998.2900 43491009.1500 38786933.3400 31463186.2400 31097176.9400 57516358.2700 53314507.2300 60748875.1200 57283732.7200 100335061.1000 78672400.1200 50513622.0800 44840998.4400 40365238.7900 33509259.5500 56260983.5200 52892830.1000 76759499.4000 74913082.7400 65780395.5800 57923272.2900 52580924.8900 52330186.0300 72225415.7200 68895526.6300 87174868.9900 69500392.9300 59800246.4400 61620338.5000 59170123.7200 60614920.7600 35412.2717 34817.7251 101478.4871 36692.7141
4-Methylene-2-oxoglutarate 2-Methylene-4-oxopentanedioic acid 54556615.4300 73158341.8400 74112321.9600 83282897.8700 45610015.0300 44332010.3200 63912381.3100 62287506.7100 83541460.0600 54293938.3400 15561091.3700 17937878.2900 48964786.4100 49379164.9400 25739269.2800 23039634.3100 28771792.8000 29818741.5300 31459253.7900 36268703.0500 63276533.5800 65948955.5400 59542856.2300 58406354.9600 44935820.3300 45421607.6500 52449101.8300 59530965.1900 99853711.1600 70111497.8100 72745043.7400 66871863.3200 50449166.5400 79716760.6800 115570.9347 114965.3286 122093.3699 124246.7471
4-Pyridoxic acid 4-Pyridoxic acid 2531996.5780 2337822.2830 2287749.6290 1977800.3230 1605448.2620 2126180.5660 2896842.9440 1971131.7270 21512721.1900 19829682.5600 10631570.0500 13194232.9900 7815972.6630 6682201.2990 14965368.5900 11181692.8200 1889476.3100 1851886.2560 8014684.5840 8186651.9400 13509778.0200 11967897.2900 4247407.5820 3595015.1030 3905717.7460 3699794.4930 5040638.3210 4748156.6960 3870130.9720 304210.0279 8053245.4720 9844910.0190 8766810.7870 8317616.8430 99383.2465 97769.3264 285786.5198 101008.0170
(4R)-5-Hydroxy-L-leucine 6461901.7880 3449891.4480 23045981.8700 14295516.8700 11064523.1200 9295409.1130 10217721.4700 11218248.4500 16280538.6900 11982302.6400 12274627.4500 10832821.3700 9643519.5590 9788225.4420 6895869.6890 7792000.9230 15587811.2400 14434438.1400 11576607.2000 8222730.3470 9565303.4680 7210629.8520 7241470.6610 6022799.2980 6910123.2880 6020513.8990 10708509.0600 17899685.9100 12992954.6800 12984467.0500 6534554.1950 12581185.3300 5722478.2900 8965609.4480 423065.2169 139548.4630 120909.7684 109928.4672
5-[({(2R_4S_5R)-5-[1-Methyl-3-(2-thienyl)-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)amino]-5-oxopentanoic acid 161145.7030 71984.9459 110541.9248 91193.9499 126929.1938 102416.9788 128385.2802 558576.1204 125401.1144 68787.6868 113913.4549 101749.1564 189956.6405 101552.2034 138586.1120 81363.3698 264527.4040 183302.4806 110225.6192 74234.6313 4099740.4460 4089495.8340 8243000.8790 6349354.1040 3400778.5500 12461512.7100 6141327.9480 6239853.0910 2424104.9710 1768440.4890 2035350.8190 2232263.6260 2035000.3290 191641.7766 58150.8239 69872.7729 137058.1469 217378.0466
5-Aminovaleric acid 5-Aminopentanoic acid 146174088.5000 146184407.9000 125948134.3000 135814719.2000 130409058.6000 90622592.3100 182069257.6000 110808079.5000 205015743.3000 164498567.9000 118632054.6000 158057411.1000 82789316.3200 156797798 96604655.0200 71384759.1400 54906323.8700 49395141.9100 160344147 163398233.6000 111840554.1000 151830063.6000 125093724.5000 75803705.4900 79913185.5800 81795001.5700 162053558.1000 116787045.1000 135480534.2000 200565508.7000 151647334.7000 166152966.2000 151758622 156662637.3000 70979.4256 902629.5865 912203.1315 794833.6840
5-Hydroxy-DL-tryptophan 5-Hydroxy-DL-tryptophan 8515225.9770 7873701.8300 6435103.2210 8917951.5530 3851781.6110 3785041.4410 9894551.9270 6424959.4340 11921950.8100 11175225.9600 13615837.7700 16720855.8900 5903885.1910 7418664.6810 14482026.5100 10036942.5600 21156747.5300 17646658.0700 20232016.0700 17724451.6200 2582868.4270 4012161.8620 4775606.2370 4352991.9330 5780564.7890 2808444.4720 8800771.3330 8688343.4510 8073929.0240 6157014.5000 11360840.9400 10700969.3800 7159831.4310 12163734.5400 182107.3050 76401.4421 103026.7303 119313.6907
5-Hydroxytryptophan 5-Hydroxy-tryptophan 3722805.3280 5787540.4870 3956694.6690 5554410.4480 5593714.3670 5301159.9400 5479161.5780 5330201.4540 6866778.8030 6095410.5670 5266739.8920 4658021.8650 4073027.8660 4035517.2000 5159555.7480 5549235.0990 4825721.6590 4346012.4760 5755078.0390 5939565.2410 5799619.0910 5096042.6050 5477820.4260 4978229.6910 3096942.0990 4996517.3400 6036966.5120 5823524.1660 6250271.6200 4959455.2250 5838836.4230 5872418.2720 6074797.3320 5782522.8890 41685.7759 37680.0199 36853.2005 33828.7831
5-Hydroxyvalproic acid 3902617.8240 4351392.2140 9321000.7660 9411740.2080 2033703.5670 1999933.7020 1772881.3840 1561306.3030 2088909.7910 1828093.0270 1085944.2500 1047392.0340 1408111.9270 1349348.8670 4036231.4010 3398916.1720 1746161.4200 1459681.7530 5329698.7870 3513045.0890 19003418.3200 18062059.4700 5133628.7450 4438819.8700 13137210.9600 12447715.6000 7732840.0780 8102982.6860 13391852.7500 11250131.4400 6488428.8740 6683110.2210 6732297.1500 6469573.3560 203765.6023 296043.2125 264026.1793 447423.2550
5-OxoETE 5-Oxo-ETE 130592.3410 295581.7764 114908.7411 112823.9982 119465.6447 125041.0541 137071.5606 146678.9824 133869.4334 139330.8863 183366.6137 128343.2849 208371.5221 119318.3629 169839.7816 269161.0348 151748.6052 288429.0553 127869.7140 302712.8465 2814951.0370 2599299.2850 2863755.4270 2427762.1310 4339120.4900 5437335.8250 2110904.0530 1775891.1860 1678214.0750 1306438.1500 792723.7177 1044458.5620 932269.9576 829291.2489 80508.8550 68368.8197 84896.3269 81335.2146
(5Z_5^Z)-5_5^-[Disulfanediylbis({(3Z)-3-[(2-carboxyethyl)imino]-3-hydroxy-1_2-propanediyl}nitrilo)]bis(2-amino-5-hydroxypentanoic acid) (non-preferred name) 404366.9079 405883.8477 779004.2342 714083.3606 1042359.7590 921600.4246 1586536.8220 1567619.6570 570352.4178 520426.1377 4514817.5400 4703575.6720 4749108.9500 7508866.5690 2767302.4400 2419155.5350 4063003.7960 3370241.0600 4101122.3140 4208963.1450 1132195.6670 1022994.2080 858852.8784 760214.6034 2635557.6420 2640507.0070 527051.2339 477102.6096 664113.6578 523637.5671 1849294.9070 1918701.9340 1823690.3910 1880269.0630 25037.9152 25932.7856 26668.1127 29628.4294
(5Z_8Z)-5_8-Tetradecadienoic acid 14298522.9400 13488115.0800 17563803.5900 17058406.8400 9464144.1780 7979209.0030 10286584.5100 10418850.4000 17150789.3000 14746877.8900 10918407.3200 10145256.9500 12470941.2400 10134241.9000 13805858.6800 11021649.4700 8330515.0350 7536865.3380 15905965.7600 14648177.8800 15477590.6500 14335220.8200 18731036.4700 15683237.2700 10601318.2000 10889497.9200 6685631.4940 6632769.4920 17229573.2400 13607363.2200 13959394.8500 18473560.7400 15425042.8200 15005873.7400 25311.5462 28849.9976 29876.9355 26478.8294
6-[(6-Aminohexanoyl)amino]hexanoic acid 9492937.6680 9405453.9250 224814.6277 187526.3717 10180155.6400 9416756.0250 173393.2696 191117.7453 225414.3204 381218.3252 319167.3767 311450.8744 10809980.0900 8743451.5900 17396164.3500 16157601.5800 153542.4168 447590.0321 137868.0919 292220.4022 14436614.2700 13972700.6200 14953159.6900 13778516.0500 140772.3012 346888.3079 214029.1207 127682.7794 323657.4627 151917.1596 438721.4416 134461.3175 17519866.4600 17519866.4600 38218.1451 33272.1368 32046.9341 31192.2482
6-Deoxy-D-arabino-hexos-2-ulose 83540064.5200 111250579 279857010.1000 273497710.7000 67954881.2200 81026638.6600 71634266.8700 71285001.0800 78762908.7200 72553748.6100 3156261.5750 2986486.9290 115384108.6000 101747576.9000 140729389.2000 173299524.3000 110028585.6000 2470294.3090 3583112.0240 115154158.4000 237461112.4000 279448341.1000 205078290 188737443 178522217.4000 170182019.9000 201922399.9000 190310819.6000 225658880.6000 172081387.7000 199405778.8000 202284180.8000 195858201.4000 201562758.7000 1140248.7690 641303.4931 1232077.3930 1317795.8740
6-Hydroxycaproic acid 6-Hydroxycaproic acid 8465478.0870 9045483.3600 21275184.9300 18613676.2900 9014978.7900 8867128.1510 13658281.7700 11624412.6700 16209628.5300 15740996.5000 4180089.6830 3455262.5380 3246490.5560 6178037.8330 9040929.6590 8283154.3620 3817652.6260 4085717.5640 3536535.5530 7526737.8470 14414942.9400 18566691.6800 9687115.1470 9453954.1500 17119120.6700 18615981.3900 12520252.9000 12623397.9200 14040304.9700 14515663.1300 3834273.5940 12234451.1700 12866038.0800 12256278.0600 3435839.5780 3384746.6370 691864.7444 987095.2222
6-keto Prostaglandin F1? 2903169.4490 2939220.7630 5213946.9020 5414262.3130 4748467.1450 3659907.2140 2538122.6640 2077905.2640 2189374.7720 2165576.1670 1673861.9500 1592028.3790 1562292.8170 1758019.5440 2902020.4830 2605210.7410 1343384.2990 1249926.6900 2158257.7930 2048704.9110 1563898.6300 1885145.9820 1879329.5820 1714057.3260 1115291.6620 1027171.8600 2199247.8100 1854819.6310 1492630.7430 1271188.1770 3209254.7210 2473224.2260 4462630.5850 2594449.8860 93273.3747 60037.6995 60855.4206 60896.4190
6-Oxohexanoic acid 107568778 154237409.3000 68997791.4000 71746867.0300 105816755.6000 91047281.8400 75954318.9900 78056002.6100 84081663.1700 82524940.8800 95545415.5300 99663850.8100 120639379 103398341.3000 76436716.5000 74051194.9000 131299002.8000 124101710.1000 103254586.5000 98056612.3600 227824868 172912078.9000 126828185.5000 110239694.1000 109130507.8000 111805375 217400121.5000 194169581.6000 132535607.7000 121181970.3000 161082789 165907646.4000 192091196.2000 148777109 11353103.6800 14713709.9200 16808636.3600 20242640.0700
(6R_8Z)-6-Hydroxy-3-oxo-8-tetradecenoic acid 1952295.1260 2432824.2220 6680285.0370 8329234.2390 2697318.1100 2328641.9090 3434897.7690 3689482.7020 4600969.0990 4636396.4850 5427570.7560 4342456.1130 4828010.4950 4563362.3510 15945504.7000 14806928.6500 1901869.8260 1326079.1810 5339005.9650 4105722.1490 5722752.6200 4412437.7660 5727855.1030 4822892.2330 6087788.5410 7749619.9260 1931665.7020 2050525.0580 10596101.6400 5506711.4110 7558161.2220 5547261.8900 8209336.9460 6630049.6630 408044.7615 245867.7446 250482.5932 289935.6138
7-Mercaptoheptanoylthreonine 213464.9303 276337.7062 103172.3332 249499.7380 350244.3190 208614.7973 245721.5789 220418.9140 220313.1257 195782.0086 83221.3739 139758.9085 314934.2254 55398.3590 271052.5564 269787.4651 147958.3204 125526.0463 150034.1955 106909.9457 3673185.9010 3437717.0350 182867.6794 230476.8539 218241.1297 132064.5293 5157521.3210 5119134.5640 9026239.6320 7065810.1720 2054855.6620 1964639.0480 1751993.6850 2126313.9230 189813.6787 116354.3099 121263.8929 187280.7822
7Z_10Z-Hexadecadienoic acid 7Z,10Z-Hexadecadienoic acid 3515444.6540 2799465.5960 3361929.0490 3301441.7540 2990766.6430 2129023.7520 3326714.9570 3057711.4030 4351747.8190 3344688.5140 2133281.1730 2079351.3200 2666413.3940 1792442.7890 2888930.5530 2007962.9980 2240016.8550 1990514.2310 3500388.4110 3084645.9810 4348243.2540 3742187.0080 5389889.8970 4403856.7100 3815018.5630 3583628.2360 2782976.4350 2317846.3510 4462325.9430 3167287.6820 3456037.0900 4337821.8960 3981246.4760 3560342.2930 11989.3873 13477.5488 15147.4801 14900.4102
8-(4-Sulfophenyl) octanoic acid 1364527.2250 1740739.9230 6434489.2510 6470757.6260 4827725.0040 3988675.0170 2092162.2650 1406304.4680 6149356.6770 6249483.8270 2016014.4730 2189984.3770 1676307.8240 1527625.9640 8743158.3970 7696279.2480 341692.9382 562935.7544 2640343.4180 2415382.9690 1147145.9960 1272128.4940 3512793.1150 3433793.7040 893792.7463 1400958.5270 845648.7916 1186017.6040 3113077.2100 2186557.6100 4517425.8470 4803596.9810 4471538.2470 4625305.0490 53004.1461 45380.2286 47647.8363 51647.7776
8-(5-Pentyl-2-furyl)octanoic acid 2340328.0980 2243729.1520 2592664.4260 2510105.8520 3317991.3580 2708090.0110 2380625.3350 2362898.1550 2052577.7350 2171818.6400 1386312.2170 1550476.8450 635395.9037 686744.7095 1884936.5930 1812170.3700 1004864.5570 720805.2443 1008499.6390 1133077.6760 2043157.0610 1194344.6260 379843.3630 86806.8997 358263.5293 71754.5944 1076550.8560 1049827.3170 843322.3624 107107.2653 2041282.5310 2330104.7000 2320831.4180 2050386.3660 60861.1027 53500.5827 45185.0872 50228.8929
8-Amino-7-oxononanoic acid 8-Amino-7-oxononanoic acid 2770116.0470 3133621.3840 6154669.2050 6476221.8900 5214016.4190 4663547.1390 6303715.4270 5644378.4630 3690092.1890 3363087.8510 3321857.0940 3455261.7070 6820717.1790 4662150.5160 12840330.6200 11281070.9500 12525907.8100 9336507.6130 2304294.9380 2333642.9130 2712572.4490 2326639.8860 9677059.0840 11024657.1100 9826738.2080 9990344.3430 17477491.3900 17044066.3200 5481606.9260 3955158.7020 4523912.2840 4517558.5900 4617237.8990 4489066.4990 33674.5682 49826.1121 331101.9127 358597.7564
8-Hydroxyoctanoic acid 8-Hydroxyoctanoic acid 6250074.6810 6514403.6970 6477560.4100 6581921.5990 171739644.1000 153289053.9000 134533239.5000 129939793.1000 7391434.7710 7082606.9870 4486625.3270 5231154.9760 4399628.7740 4205173.5320 5427839.9390 5188352.1400 5287593.6350 4754604.7000 4759464.3460 5027565.7910 4349247.0840 4611418.1820 4939369.6580 4464046.9330 5230894.4350 5478665.6960 4179720.8820 4411910.8190 4853219.7610 3826801.6720 21617460.1900 21626612.2900 21530763.0800 21649584.1200 1100489.2390 1270695.4600 1506852.5370 1497625.4080
8-Iso-15-keto-prostaglandin-F2ß 324843.5854 317109.1693 436315.2626 299373.4823 237258.9764 300442.2870 254465.3965 378941.9747 340323.8804 237595.6317 683885.0556 792789.5732 342542.1764 282911.7098 263833.3521 415643.6840 575453.6509 496028.3080 603920.1261 536526.3148 4403294.0210 4280199.8560 7068335.6200 5597668.0930 9449788.5300 9065152.0850 4450095.7580 5077129.2340 4510614.9220 3182863.9350 1928112.8060 1989319.8870 1721434.7290 2015160.2610 117642.9697 102222.7023 89822.0272 96724.4411
8(S)-Hydroxy-(5Z_9E_11Z_14Z)-eicosatetraenoic acid 8S-HETE 5000813.3140 4524456.4400 7559209.7180 5901477.9730 4503259.8240 5724536.0810 5773428.2480 5648721.3970 7073406.3460 6258799.2930 2657072.4750 2649502.7930 4676508.1910 3675227.6480 4752283.5080 5266651.2200 2172900.4960 1961638.5100 5218082.9730 4523965.2870 4242005.9110 4363408.5120 3673409.9400 3324241.9480 2512126.4030 2558678.8900 3498849.9110 3261340.3460 3816438.7420 2715862.0270 4937909.9600 5891908.4200 5673655.2680 5030671.6250 53546.3554 51253.3337 54868.4199 63087.7980
(±)9-HpODE 9S-HpODE 842441.2169 611029.2067 816981.4313 697856.3476 577946.1738 359381.4735 443327.9792 425949.9051 526251.0567 521295.2119 790283.6945 761037.9320 884727.6263 658592.7833 1123139.0540 1090439.5610 403405.7757 334309.6179 1392145.0630 1289898.6900 3687306.3880 3595904.1730 1795064.2710 1618412.5230 903212.2459 908074.4657 1216630.6730 1327618.3630 1110973.4620 715870.8794 1188634.0050 1379026.1390 1302001.8710 1202458.4850 47200.9321 47909.5854 48680.7251 56656.9287
9-Hydroxy-10-undecenoic acid (S)-9-Hydroxy-10-undecenoic acid 9744860.8270 10147600.8500 15382424.8800 15287434.9900 4333012.8560 3740125.0540 1251944.5730 964333.3266 1231094.6440 1522444.6820 967987.1217 738630.1920 1235122.5740 801158.5773 10226456.1400 8816898.6310 2658162.8700 2589066.8910 4346555.0090 5037420.3830 19060227.1400 18471131.1200 5130096.8690 4026568.6530 19948543.5800 20557122.2000 19813480.3700 18453218.4600 11766121.7200 8535075.8890 10274912.6000 10967446.3400 12077533.9700 9765267.1990 593636.8195 716112.5382 850139.0406 934058.0847
9-Oxononanoic acid 9-Oxo-nonanoic acid 24185908.9300 44100331.7900 60350222.9700 47901030.5200 43647323.8500 39920838.0500 29159908.4500 49042405.0800 45928134.5200 42398100.9200 36997850.1800 16712011.5200 28752418.7700 27016434.3000 31349053.5300 28418612.8300 24121217.0800 60724709.0100 32609785.2400 29512383.6800 47192567.7300 44513257.8200 37154119.9400 12853549.1800 48232387.2100 43549963.6600 17072389.4900 35166309.2900 35221297.7400 33004656.3600 30586819.8200 44547631.5200 26095817.3200 37235332.9300 21942938.2400 23047366.5100 24221294.7300 26085075.8500
A-12(13)-EpODE alpha-12(13)-EpODE 124132.3252 118742.2632 104585.9403 99232.3694 102976.7511 116804.5403 113762.3674 123054.5155 123478.0860 125001.2435 112745.0890 108546.1608 275023.7186 95582.1913 216269.3834 108755.4367 156987.6239 121864.4189 109674.7862 100630.1334 98357.6427 95844.1656 104033.5819 104220.4416 102269.8590 99270.4214 6296747.5830 6498245.8330 117933.0166 201532.9273 532283.1262 965229.3102 716835.2877 647315.0614 64228.7453 73266.1921 99073.4308 88446.0397
a_a-Trehalose Trehalose 8350683.1710 8173295.4550 5493894.7060 5452142.0270 19731132.0700 21043974.2700 15045778.7900 12880108.1500 28359922.6200 28238587.3000 9777174.9910 9572022.9450 7729796.5350 12637955.3900 2608883.2960 3007899.9500 8442978.4460 8668351.3700 7643573.5050 8633549.1380 26835981.2200 26401156.7100 20798272.9200 20056991.9400 34495469.7600 32534951.7800 43163943.6300 42986871.4800 41744705.8800 45638293.7100 19525632.0600 21920719.7000 16924344.4300 21243585.6800 388871.9245 317518.4243 333541.6696 409852.2366
acalyphin Acalyphin 570415.5698 4116469.4440 4691281.0150 4901426.2250 3026939.0080 3936289.3140 5475651.0420 5037762.6720 4641669.6830 4397966.1470 6273760.4980 7855166.3440 5432206.5830 5368519.4490 4642373.5940 2432475.4800 1974698.3800 1748434.1200 3179212.5970 4514416.9050 4576488.4150 3940674.9230 4327861.5480 4237998.9920 4724450.0790 4919965.8060 6517363.1700 5599153.9930 5800906.4150 2759157.8750 4966797.8340 1270172.5220 4278492.9660 3747184.4740 42925.1740 35601.9544 30214.1553 27140.9390
Acamprosate Acamprosate 1669713.4890 1693251.5170 4115812.4370 4621914.2750 12035492.6200 10985277.3000 3650014.1160 3763094.8140 2679934.0850 2397114.2280 2048027.8720 2146037.1850 80954.0448 736583.0232 395253.0236 877005.4167 2813841.2780 2434632.3700 1125654.5660 1013891.1760 9225073.5020 8662176.2170 4338489.7470 4004854.9560 6242100.1870 6435351.7920 9646085.0410 8606927.1990 3663782.0350 2612385.0300 6076710.0550 5987394.2720 6126376.9760 6030440.9440 72825.9539 67053.3273 87473.3440 58692.2819
Aceglutamide N-Acetylglutamic acid 12086244.8900 13027408.0200 9664783.1400 8483912.3330 13313438.8600 15144467.8600 7144684.4210 6309178.4110 6226832.1810 4971217.6500 3935958.2680 4445805.6990 8410826.6780 8822315.2490 12098557.5000 14799671.6300 2867479.3440 3940194.2510 4996228.2620 5624616.6730 12758711.8000 10884202.1100 8533677.6170 8671903.8350 9380026.8230 6412445.8530 10082643.4100 9842125.7410 7001637.3650 8444521.0240 9642682.2900 8884928.9020 11285928.0700 8747710.2870 172742.8012 146899.6994 179049.8530 187433.7007
Adenosine Adenosine 677112343.7000 684849634.7000 757078516.5000 767800860.3000 713934799.8000 673563966.9000 662262322.5000 674881722 681400088.7000 654743426.5000 936295950.1000 936270080.3000 851337418.7000 571871443.3000 676141070 622511401 801240171.4000 742305371.9000 907828766.1000 854241778.7000 984045536.5000 1012042613 807786063.5000 740144217.6000 721593930.2000 710585044.3000 641536274.4000 631670726.2000 967786928.5000 855001610.8000 881351585.6000 877758992.9000 820707028.9000 902745625.2000 358657.8475 375346.8342 341022.3629 376795.7072
Adenylsuccinic acid Adenylsuccinic acid 370670911.2000 354962364.7000 371617980 366373387.1000 1859438.6280 191809757 145004700.7000 148603495.1000 484849231.3000 459115602.8000 8916002.4370 3239211.4260 927028.7598 370382.0162 2263530.7950 179082671.3000 286995.5659 243000.6805 204408184.8000 196984816.9000 340944093.9000 385666079.6000 8763632.9190 290012768.2000 283644675.4000 279188998.9000 276048.4268 286842.3962 272938.0936 290228.0456 345935669.5000 363888150.9000 345985734.2000 3355437.2710 163915.2834 148035.4681 145848.3944 143786.1749
Adipic acid Adipic acid 103423439.7000 106248897.5000 108441097 150017955.6000 46502177.9300 4586376.8070 4615142.8750 4526566.3930 6595361.6290 5446819.4690 50980087.3300 51514137.1900 51006265.9400 77352597.6900 99038563.9700 6799485.0160 5290564.3650 4983904.9780 67179000.9000 66754492.9800 112448091.2000 21295390.7100 8973351.0330 7910354.3590 7169016.3550 8094153.3440 8267342.7530 7624751.0050 8254236.3430 6488968.6990 87430803.3100 83726573.5900 86033733.1300 86668349.8000 119775.9899 2325215.3170 2623289.1970 480701.6764
AI8940000 242133.2845 686483.7257 5607444.4060 5147668.4670 667353.4307 351711.5291 5889755.1780 5538174.1710 807552.1580 574328.5893 5549973.4350 5143530.6940 3901749.1540 3071053.5360 991631.9211 742867.3485 315583.7177 348621.2334 2507441.9130 2433932.8470 3209941.2660 3465832.0250 3789759.6760 2965107.9290 3758627.9780 4604805.3760 3311205.3190 3002992.5370 4144614.2590 3124080.9170 2920213.0660 2504260.2210 2871821.5590 2797071.9580 695634.7820 28093.7366 710335.3192 707133.3992
ala-ile Ala-Ile 9500312.2650 9826023.2730 7716979.0180 14642298.2800 5846652.2090 5060515.8650 20526653.5900 10719037.5400 10886125.8100 16260635.1600 13082762.5500 13213211.2000 6203919.3090 9661434.4580 7884534.4420 6733869.6000 22632284.3900 17804020.5500 8965727.1980 9525760.3490 12949381.4400 12082038.4900 6533890.2690 13502911.5800 8856445.3260 25226977.2700 10827877.6700 10494551.9900 11972975.1900 7603643.4700 10074300.3300 8313411.9890 9487729.8740 9545873.2220 68341.5981 53379.5307 46291.3277 102689.0088
.alpha.-Aminoadipic acid alpha-Aminoadipic acid 20300003.4400 14849301.5800 25161875.8000 28380230.2800 28917517.4300 32944677.4900 24328328.4900 20335407.9400 33155628.1900 31158659.5100 12362903.1400 15407536.2000 25030317.0300 27609013.6800 31454189.1200 21407576.7100 36824545.8600 20772923.6100 25004300.1600 23360637.5700 21274221.1700 24211810.8400 19388947.6300 10148571.5000 20009146.6100 23404184.8700 24521399.3900 22440741.2000 18765493.7100 2418088.2160 32260605.1700 23265398.9200 27656218.8700 31052936.2500 427654.3869 452703.6750 415833.9366 59566.1772
alpha-ketoadipic acid Oxoadipic acid 30350261.1000 32013184.4800 108967141.5000 110020092 46856565.0600 60842093.8200 4726902.6270 4633289.6250 43490668.8000 31166421.4800 39718352.0800 30878669.0100 26968985.6800 28331385.2300 13656082.7200 14066318.2800 59791032.7800 55846868.8000 62912216.2300 51025737.9000 21574249.8800 23830530.8000 22792334.6600 24116681.4900 1270761.6730 20005854.1800 41394162.6800 48935083.3600 32738190.5700 48755176.7500 32438482.1400 39364638.4200 36191067.3500 33585569.3600 952527.1895 106359.9776 97205.2056 93937.9768
alpha-Ketoglutaric acid 2-Oxoglutaric acid 1424405371 752073542.5000 791157340.8000 1119217190 1271975609 422164604.4000 2083945483 483886084.8000 1073640230 664066333.8000 382748451.3000 344305047.4000 683172914.1000 551026610.7000 794019136 704164849.3000 256459949.5000 215830259.3000 729108008.1000 619441236 357792049.3000 902577789.7000 685267604.8000 973846195 1317619317 1319864175 320698644 835133222.5000 185578625.9000 577563358.4000 846073282.4000 802668345.4000 798858159.8000 857170234.8000 292203.9081 422593.6188 1356959.0060 809580.4261
.ALPHA.-TOCOPHERONIC ACID 4842186.5920 4494410.1000 2802567.3660 2908679.4120 4653735.5310 4379104.9000 2056895.1570 1919766.5370 6170308.9430 6854106.1730 1838258.0590 1968885.6700 2554852.5120 2507216.8570 1864773.6210 1796970.3500 4138847.9410 4051170.4690 3154376.3580 3170520.5280 2603566.6930 2765375.3300 3121365.1860 2872502.5420 2041191.3160 1967370.9410 3297742.5170 3227919.0910 5104701.1650 3864729.7290 3697020.4040 5559931.0210 5099027.5160 4013233.7140 76348.5102 187094.1755 175171.5777 295796.2348
Aminohippuric acid Aminohippuric acid 18324371.6200 18648902.2400 7931773.8990 8228081.0680 19815664.8800 15528119.0400 25017067.7200 24117779.3300 7164948.5470 6717506.9130 13953415.7000 14280533.5300 7010201.7940 5885763.8350 11335174.8300 9989624.0560 6080135.1210 8376706.6240 9510732.9490 9954370.8860 12370589.0400 11751592.8000 11971332.7600 10802885.3000 8993034.9470 9002351.2500 20178340.2500 19931503.2600 14270222.9800 11456855.8700 14675802.0300 14905156.8200 14944676.8900 14659305.6700 106595.1996 68131.5677 77226.3234 47314.3425
Arachidonic acid Arachidonic acid 582040135.7000 446660377.4000 562804397.4000 448735831.7000 633589349.8000 553390013.1000 633466504.3000 567438016.2000 585247046.3000 564987345.2000 418274485.3000 477393387.3000 556545314.3000 564352737.9000 685898531.8000 486561073.1000 424312894.8000 384209513.4000 477491197.3000 488743756.3000 549175849 492974697.9000 565368971.8000 479527400.9000 413361577.6000 342852843.2000 505537410 505357130.7000 467065850.5000 135197366.4000 557404975.4000 569438760.1000 590223192.7000 547682716.1000 3425180.6890 20624947.8500 32455114.1700 27242160.2800
asn-val Asn-Val 9781590.7610 9613958.7320 14043335.2500 13802684.6400 18205515.2800 19418314.5300 6295312.0130 6671473.9030 19532976.5200 18774958.7300 16270132.6900 17049414.4500 11394884.2200 9519444.8700 15176247.9800 16708484.2400 58903982.0700 52088610.0300 9889599.4920 11680128.5900 8685523.2450 9390542.9040 6008109.9870 6433125.9760 4403804.9500 4003469.9830 12784734.8400 11626557.9100 11211568.6500 13507755.9500 14085726.9600 14613974.7300 13559499.1200 14435374.8300 53924.8568 49842.3877 47180.8951 45420.6942
asp-asn Asp-Asn 27835862.8900 25614202.0100 38074195.2200 34046786.4400 21097851.0800 20946651.2000 28310884.0600 28405330.6400 38533179.1300 37185637.4300 34768454.8400 33843402.6600 23798491.2600 16694645.7700 16400047.7800 15329995.4600 24704598.5000 27615530.1100 28644826.8500 22367313.2500 23815177.1200 18696409.8800 19327911 17700115.4800 20369407.1900 28590765.0200 32262426.7800 19871263.4600 22104506.5000 21357201.0800 31391202.4000 25988342.1700 17762044.3200 31268699.1600 169916.3648 1370630.7450 86892.9093 71950.5526
asp-ile Asp-Ile 7912143.7900 7643930.1460 5302195.5630 5606607.5540 5821631.4860 5520179.3050 6055231 6186215.9110 7147958.7070 8344754.9950 6555400.4550 6238805.0640 10481673.0600 9390116.0110 6484317.2860 5537880.1220 6077789.6330 6118930.5330 6858747.8650 6094390.8490 8356250.2310 7815570.5810 6522406.2330 6609868.5780 5835333.2460 5845945.5470 10539631.4000 10210025.8600 8453790.7380 11730942.7500 9342837.9180 8279618.5800 8511716.0970 9290221.5750 75264.9894 195080.6796 203729.8369 278129.1985
Aspirin Aspirin 606001.6438 620488.1584 651767.2857 630747.4619 670218.0774 740832.5359 2970662.2810 2719985.4620 626112.2915 486820.1982 184878.6051 159050.5832 3217843.3420 2586919.8310 8082038.7130 7260957.5830 281393.7797 294543.2917 6090537.8090 6338563.4840 1457379.8380 1290784.9980 538443.8955 566649.8500 1095439.6410 848884.3074 1993142.5230 1877266.1750 872492.7503 650510.8743 1684830.7160 1894343.1650 1765046.8920 1726162.6800 48412.5205 337263.4272 280732.1363 60417.1266
Azelaic acid Azelaic acid 2604823.3970 3492053.4370 8382836.9510 6909531.2020 1797331.6710 1734986.4940 3800003.8530 3784845.1550 297385.4938 426697.3296 4517264.0250 4506114.6760 2601820.9340 2239157.2760 3381988.4250 2425140.4110 4780394.5660 4559356.3900 2920094.8720 2913479.1450 5735603.4600 4684648.6110 8356968.3660 5726382.0100 4569630.5600 4708515.8840 8730721.4210 9751656.5550 9101744.5680 5028614.3570 6469068.4800 5746751.6340 5465541.4060 6478630.1810 37130.5121 833924.8694 795292.8288 858533.5791
Bicyclo prostaglandin E2 Bicyclo-PGE2 3679502.9650 3454445.5370 5129653.1590 4275706.6400 6512442.1580 5379712.6730 6877053.4420 8213268.4970 8327521.9290 7258536.2470 13543372.9200 14590954.6800 8402899.8110 6967038.9840 4545595.7160 3618037.5300 10348435.4100 9019813.2020 2119783.9790 1899671.5490 4072764.7890 3006840.8690 5084204.7870 4582207.4130 5032477.5560 4577631.0420 2434348.2120 2041561.6440 3126203.9090 2382432.2560 7150107.9910 7503220.8240 8699439.1530 6709415.6940 73894.1258 69907.8829 71581.4404 78669.0028
Bis(2_3-dihydroxypropyl) 2-hydroxy-1_3-propanediyl bis[hydrogen (phosphate)] 6496593.7450 7093104.7650 14101825.8800 14503375.6400 11024071.4000 11785390.5400 8645809.1310 8450530.6050 11536702.6400 10876852.1300 13809339.2800 12750989.4400 8718967.9920 8960313.5600 14066597.1000 16306759.4000 13708188.5300 13679211.3300 7953692.8320 8426210.6990 14677748.3800 14958560.3300 11184930.7000 11963346.5300 9880020.2780 9074664.4650 12008148.0600 12483484.1100 12337257.3600 11412335.6100 13116842.8700 11937057.3100 10859000.0300 13229822.3000 41149.2058 31870.4777 27646.8310 24275.8416
Butabarbital Butabarbital 1269658998 1268147051 836112566.9000 823469447.5000 694880370.2000 625968820.9000 881276600.1000 895636673.2000 41527735.3900 26060055.1000 1138161169 1189872924 1252449691 1098583076 832471548.6000 733592832.2000 1935143930 1803355907 963467506.3000 970097030.1000 1599319004 1550973299 1289386203 1188876557 1146175568 1117052427 1714999618 1681830659 1423512119 1186553037 1352801190 1530441919 1462918533 1381976942 7437839.5800 9388680.6390 13038921.1900 14450091.1800
Caprylic acid Caprylic acid 66174270.4900 57210276.6000 58042145.8800 56302122.0500 55061516.3300 60795799.6700 51225077.7200 40774601.0300 46191935.5400 44116563.7300 49433834.0400 58119686.3500 62556142.6900 43984349.1400 61733581.6600 66590963.2800 64637003.3300 52253348.1700 55122630.7500 56494946.3500 66560633.4800 61647522.9300 54752565.1400 45537537.7200 66316007.9900 68971690.6400 62678272.9300 53522936.2900 59166818.1300 42124232.2600 27287089.4200 30575885.7000 31418495.5700 26845462.9900 4476243.1080 5557291.4510 8743675.8680 8739943.7560
Capryloylglycine Capryloylglycine 6062789.9490 6012253.7000 11658064.7500 11649191.2400 298639977.2000 269140738.7000 247583365.5000 252126893.1000 11705297.5700 10070468.8100 3705678.2090 3646349.2810 5271799.4790 4168713.6820 8037744.7610 6929603.3580 3092468.5540 2307440.4960 5574294.8970 5476515.7830 5482888.8410 5332343.6610 3975027.7720 3728247.3910 3364765.2750 2932869.8630 3773153.4740 3526813.1870 4969044.0340 3459783.2780 33227089.7000 34072753.2800 33440863.5900 33430003.7700 72100.2226 55324.2460 67145.6466 69615.6721
CAPSO 36604899.1900 36508101.2600 6907148.1110 6289274.9150 7113975.5360 12192084.7600 22187906.7200 21981726.5000 14434593.9200 13452331.0300 3950919.5840 4739385.5400 9322373.8300 7753877.1830 3904881.7450 3682778.1330 4701911.4720 5503662.4580 6391914.9620 8539848.3090 11297130.4800 11351877.2400 8480375.3270 7269376.2230 11269257.5700 11813780.1400 26258392.4800 26477493.1800 18659422.0600 14938316.9200 15708988.7600 15090809.3100 14811787.2300 15802760.9000 86975.2678 94186.0362 112658.6294 78089.7985
Cholic acid Cholic acid 4121500.4440 4385701.1970 2265549.1420 1753559.2770 805321.5217 371131.6949 1301030.6890 394259.9392 1811054.7660 1561937.2690 63928729.9900 64756393.9500 1396475.9570 1214098.3050 3660042.8150 3129085.6620 7036031.5630 6419147.9440 49361113.9500 48957611.6900 63280690.0700 56832005.2200 135901630.6000 114570452.8000 65705915.8000 66036080.9700 63190416.7500 59356417 38790103.3500 31633461.0500 37124857.1500 44858618.2400 43982353.9500 36917911.6200 166107.3482 181038.1617 228484.5334 189239.9796
cis-4-Decenedioic acid 4Z-Decenedioic acid 10882880.4500 8629889.2540 19567861.9100 19631030.2600 7119011.4570 6120158.2380 6679287.5460 5369876.5260 8023913.2870 8179751.9520 9181338.5600 9126311.4350 9470486.6160 9490257.9000 12420889.2300 11934481.0300 4723205.3590 5290252.5870 8588150.9230 9646457.3220 25691695.1200 26355540.1600 18636668.9800 16893157.5900 20891777.5700 20715394.1400 15860338.8600 9527454.9490 32055975.6200 24340579.0600 13536807.4200 14397779.1400 14650587.2400 13436162.0500 1438049.8670 1226286.5000 1496962.1450 1706822.0610
cis-4-Octenedioic acid 3564457.2370 3517730.3210 6512866.2160 6423037.9570 679101.7702 499064.1032 1369850.3890 1578051.8810 3553614.6230 3419376.9520 3302416.9860 3218407.3030 2159893.1810 1723968.6790 8440657.4780 9169985.0660 2380123.6510 2408588.8640 1583286.9160 1574427.2280 1780111.4260 1837880.3990 2591423.9210 2493446.8590 4799386.0940 4533695.0560 3336889.5090 3354910.8320 2764542.8230 2435511.5970 4977392.8690 3789258.3980 3276606.5580 4914611.0670 1238567.8720 1322698.5360 1317922.5390 1195262.0610
cis-5_8_11_14_17-Eicosapentaenoic acid EPA 66871.2340 64471.2599 281811.7664 250000.0975 2469361.8170 2239107.1180 994163.9414 914881.0835 3183534.1500 2871961.8030 11823829.8700 12126836.4500 612602.4506 512725.9656 189955.9982 163049.0713 1139477.1070 1064074.6580 209008.0610 191926.4469 70297.8130 70263.8834 83566.7850 82786.1704 67866.8533 81161.5783 66301.8706 69296.8254 71619.3685 61136.3669 1806504.3500 2023541.2110 1854663.2910 1860611.1970 63929.5194 40602.9254 41692.3013 46305.3277
cis-7-Hexadecenoic acid 2992895.4550 2130756.5220 4535322.8890 4662768.4380 2909253.6350 2548188.5590 4387234.3250 3505144.4250 2113921.0150 2215914.0150 3114536.5320 2663481.5230 3126069.9320 3052891.7510 6634565.1750 4132550.1300 2459209.6380 1911879.2430 5198790.9180 5244128.7800 10271861.0800 15379851 12746668.0700 8433937.7610 5815462.0250 5428566.9450 17244103.8700 6445452.0090 10975635.8600 6464510.8570 5871098.6710 5207981.1240 5585467.4550 5901736.7650 13529.9735 159633.0171 22857.9333 230333.0346
Citric acid Citric acid 1430662682 849572852.2000 643636304.5000 1119771727 1155989089 955687390.8000 2115586890 1413031705 1097832575 617321895.2000 381679839.6000 393663356.3000 532411238.5000 551142092.3000 782996790.8000 683603299.2000 231109365.6000 211376984.4000 797807502.2000 631683257.5000 639432984.8000 919078631.2000 685769142.6000 856138895.1000 1336438026 1328140033 440231308.8000 652538519.9000 510429888.6000 571158267.7000 861206411.4000 905497245.6000 851189681.7000 877872629.4000 540482.3854 835075.8146 872217.2395 319692.5400
Clavamycin E 13316923.1300 8589051.8750 20547055.3400 12138944.1800 10331578.5900 17409675.5800 17021567.8700 18259601.4400 18430044.2800 11769155.9000 10895962.1900 11559238 13710175.7200 12334923.4100 13221212.2100 14355141.4100 3325873.1380 3844019.4580 9867873.7980 8719482.7550 16537330.3600 13192947.1900 13798532.0400 8174611.7920 10838672.8500 10644423.9400 13655006.3900 8197026.5130 11213235.5500 12081406.4600 14987226.2100 13471597.6400 11679889.4800 15359721.1600 98702.7984 78430.1802 74122.7654 67446.2410
Creatine Creatine 42863957.8000 51270837.6700 33683273.2300 31384617.3100 54681833.1900 38768694.5000 34434320.3700 34427433.5300 41637160.3100 31013667.1900 159093306.6000 198360973.2000 44337278.5400 51391099.4600 83010269.8900 90226746.7700 186033671.8000 194097603 46409287.5500 38313457.1700 33710772.9100 33878428.8000 55883222.5000 49766768.5900 37270242.1200 56512546.1800 33749471.4100 33504587.9800 37347834.5000 38828092.2800 63481640.8400 66238894.8300 67626327.1300 62683092.0400 227195.2431 226803.2841 215395.2459 268719.0816
D-(-)-3-Phosphoglyceric acid 3-Phosphoglyceric acid 36976632.7500 36223056.4900 32192140.4400 36837046.0200 30135308.2200 29982735.2900 25985778.3400 25598244.8200 41135377.9500 42113001.4100 9629038.6770 12991288.1000 12573304.5700 9702020.5330 21487201.5800 19371044.4600 8464371.2180 10374660.8600 16594441.6400 18434101.4300 23751029.8800 27317405.5100 30583914.6500 27807561.8200 16373121.4600 17400186.0400 27547207.8800 30186020.7200 39168769.3900 38504571.6200 23876514.6700 23100316.0700 30608264.0300 20958909.5900 36045.6507 34677.9861 37178.1412 38113.1230
D-4-PHOSPHOERYTHRONIC ACID 18494301.2900 15871243.2500 21036415.9500 19389899.6300 18832351.5700 15188900.5400 14987346.8500 14423360.2800 21721371.5800 16612565.8700 17294770.2300 18844773.1400 23825906.7800 18952283.2100 19428419.3500 19081380.4900 9027164.3480 8598211.7140 23541405.9500 19298999.8700 23556074.8500 22480152.6400 19185128.2500 17194390.7300 17980030.6500 16369066.6000 12482239.0100 10861884.3700 11292733.2600 8615603.6140 26973571.5900 22315963.8800 23893102.8500 26674429.2500 83957.9949 44167.8371 44449.9399 46455.1026
D-a-Hydroxyglutaric acid 262976615.4000 257934127.7000 345685593.3000 386364766.1000 171139922.2000 198245737.6000 195036272 191445481.9000 185574112.8000 177532370.1000 214111297.4000 193685272.9000 232860666.8000 263349243.9000 245441628.9000 265302459.5000 254249171.6000 199589160.5000 285750098 295306549.8000 398910603.6000 392199977.2000 282931690 294867754.2000 297612494.5000 282915799.7000 512906964.4000 337095248.7000 536878065.2000 364668292.8000 307638268.6000 374405764.9000 356993361.6000 316129632.2000 3125457.0880 2646734.9040 2668080.5840 1633456.3310
Decanoic acid Capric acid 10527755.5000 9423862.9620 10682386.0200 10344626.7500 9874890.3360 9144823.9750 11422852.0200 3531900.3130 10661972.3700 11137106.1800 6814599.1770 8702227.5000 7574339.3180 6675622.9480 9264813.0310 9169172.0950 9249044.9650 8764027.9330 8966295.7690 2668517.2810 11380303.6100 11394264.8600 11447127.2700 9552337.5620 14622799.3700 15192397.6100 10555015.6300 10506142.1100 10111810.8500 9021216.0290 10084901.7900 12195829.7500 10717306.8400 10565921.2100 2234123.8340 2544580.4890 2432462.4540 2578779.8190
Deoxycholic acid Deoxycholic acid 13206923.0300 13496960.0100 5308771.5290 5239873.5870 9807165.4070 9943003.7950 13455086.5800 11549544.4900 9121202.7540 8888899.7140 27895466.1500 26932295.4800 3654762.0340 3392658.4710 4985392.9790 4117463.6510 4799519.9200 4514157.1250 1632065.7090 1496173.0320 19649585.3300 17900186.6700 41952209.0900 35276642.7300 32202651.5700 31434674.3200 26699388.4700 25806743.1300 36010923.2100 28794536.2900 17952269.0500 17616532.1400 18818408.6600 17542917.8900 149327.8912 130358.5610 131596.6508 152596.3423
D-(-)-Erythrose Erythrose 1198443284 1563779029 1491351202 1719007057 1677010288 1664746198 1893647011 1500779331 1651924555 1607208337 1490124290 1137983756 1671400424 1819361003 1703125457 1799831392 1580650245 1855120093 1406084155 1480982812 1515604449 1667846000 1094819913 1189682979 1052748761 1070555050 1277978435 1208104694 1214915362 1918998708 1696040524 1780170789 1877693313 1650075038 194748332 144627342.2000 112807629 107205731.8000
D-Gluconic acid Gluconic acid 66544592.1800 78223440.1300 96708286.8000 96663808.5300 69509398.3700 67192962.3300 65016540.7200 49029580.7900 65117632.9300 78695544.6200 60777515.7200 42609988.4200 68055322.5300 69353850.8400 47602369.8600 69914206.7300 35567071.6500 69601433.5600 61444110.2500 45396628.2800 62010352.4500 63219620.9700 77302626.3900 69164832.8200 27790723.3300 59843306.2900 72393831.7000 70871732.5100 54451300.2900 67828032.8700 71897371.5600 35555400.3300 72512118.9100 57576157.3700 645132.6050 460633.2312 1043761.7700 406577.9063
d-Gluconic acid d-lactone 14935132.9800 14323780.3900 14772451.5100 12765152.3100 17001375.3000 18046365.5000 13913292.3400 13838676.1600 14026233.8600 15062404.8000 6959022.3990 8835316.2940 10194028.0500 10239765.1200 17200269.6300 14331134.7800 9102358.3310 7971762.3380 8809970.0490 11044365.9800 16506448.0900 19620719.7400 13688702.3300 14117437.6000 9974714.8500 10461744.4500 13741001.8600 30259883.6600 10190337.3800 22626628.0200 17064380.8300 14627636.8000 15305389.4000 16914723.9500 461762.9730 77707.5131 442377.1932 40152.7011
D-Glucono-delta-lactone 45106438.0500 46877087.8900 33624541.4400 34253591.6000 41597747.7100 34411376.9600 35511682.7800 30981692.9600 49272623.7000 52400287.4300 38393020.4700 38023270.0100 38372448.3200 40582345.9600 43857294.2900 43756469.5400 47907244.1500 56017194.1000 38993704.5100 37116597.7400 61316275.7500 61519514.1600 48042053.9000 45585242.6200 47814525.0600 49681968.3600 46739878.6200 53777898.5900 45472219.3600 45705008.2600 51561148.4100 45975882.1500 47078051.9800 51102280.8100 2591479.0270 2567423.3610 1151386.2380 1155060.0110
dihydroxyphenylalanine DOPA 12823535.3700 13684410.9400 14800852.4800 14091868.3700 9951457.6630 11868148.9800 11728666.9100 11696304.4400 14431061.1300 15172463.4500 8643800.1260 7349191.2880 13099640.1600 449188.5616 10059006.0700 8550730.6840 8643422.3580 12473026.2300 11143505.2800 10478315.7900 13402716.6200 10863048.6700 13197711.2100 11107022.3000 12139395.5700 13203015.5900 2894428.9570 14569671.2400 18486689.5100 7587533.7110 13591098.9600 14257276.2600 12083735.1200 14318580.5600 198966.3436 237901.3478 271382.1861 270136.3270
DL-4-Hydroxyphenyllactic acid Hydroxyphenyllactic acid 5098912.6120 5320299.2180 3420522.4080 2941855.9300 15438986.7900 12445868.3700 6099814.7270 6120232.3170 9023852.1870 7391985.0980 4286709.6320 4155020.0560 3177078.6310 2460796.2060 3888433.2000 3935249.7400 5806617.7790 5291101.9730 2632151 2728043.9540 4787960.2900 4604004.8500 6306425.9450 5817472.1560 6142773.8330 6242560.1050 21851917.2900 20320053.0300 5567944.1510 4400497.4850 8376140.8550 7964810.9710 8294068.1780 8267114.3990 53464.1060 603581.8954 630155.0913 51567.1389
DL-5-Fluorotryptophan 17818672.2200 17793681.5900 204360.8886 205453.9156 2626431.1470 2598135.2870 315194.9017 4106802.4050 4501932.7430 4125950.6820 298534.5052 235938.9199 3994194.3530 2729303.3520 2356336.9850 2068132.4470 3462882.2590 1851375.3010 9739273.1220 10013989.8200 9583378.2990 9519865.4670 626761.2388 564140.2388 691461.4328 840390.8396 1937075.8010 1919097.7520 276810.7826 152149.7891 212453.6498 6348774.6920 6184746.8960 6352733.6030 73115.5235 72472.6502 107023.1228 88720.2299
DL-a-Aminocaprylic acid 1248440.7550 1169490.4940 2262740.1000 2199400.8350 50516298.8600 41638709.7200 38940170.5100 38394905.3400 2002942.0400 1991182.9300 1036270.7910 1161980.3610 2662769.0900 2169602.3340 3103994.0940 2896931.9850 958001.7225 749446.2332 1410448.8400 1391768.7630 1834568.4840 1810631.6140 1647026.4620 1640552.0520 1071091.1980 991820.2000 1093609.2940 1058789.1780 1566308.6990 1260556.0220 5569693.1800 5159634.4390 5187873.4280 5578175.9120 32460.7379 29976.9635 29738.5961 32074.7933
DL-Alanine Alanine 36043135.2100 37976641.1600 34001200 33603258.8700 37822998.4300 34014861.9500 31891999.9100 32518513.9000 41116732.5000 39329955.4800 62377802.4000 81590528.6500 34396940.2400 30844597.6700 46385742.2900 36413232.5000 69368586.1700 70032207.3400 29594046.7200 34316291.8500 30200746.9000 29926174.8000 37204468.4600 35690280.1000 34749159.3300 29333865.9000 35234853.1400 35783582.3500 33454233.7500 30883936.8100 43783241.3300 43897733.8100 43301747.5800 43978920.0500 129539.6888 1294163.0810 165978.0605 127953.0707
DL-Glutamic acid Glutamic acid 657945898.4000 592359248.1000 453395514.2000 775638164 601450124 619084899.1000 592166269.7000 470910430.2000 504179957.9000 391112106.2000 479524804 770022956.9000 671356594.8000 516718794.8000 481595225.5000 549746135 139491779.4000 48879379.6300 500469272.7000 657756689.5000 667411804.7000 646477951.1000 679768127.8000 601776743.7000 549821353 494294341.4000 389349139.5000 402968925.4000 486209799.1000 46899425.6900 554070785.7000 513523234 485085997.9000 566855776.3000 7073534.1580 260664.5245 2800485.0900 8147290.4110
DL-Lactic Acid 3038632459 2988081775 3616105371 3698566698 3003887434 3469470750 2632966579 3756706103 2885982307 2908491894 1891019001 2240065991 2860735846 2795803227 3671967194 3756916802 2665368884 2241111100 2600500905 2798588846 1994425843 1966044626 2207095592 2474440032 1901720113 1479989966 4047562628 3815680736 2681346154 2179378932 3355366891 3159472555 3818408295 3145954348 11350926.6100 15018838.7500 15258276.6000 14508936.3600
DL-Malic acid Malic acid 805950573.1000 978831635.7000 1242906851 1101929247 822545235.8000 1185214189 930657482.4000 853450096.2000 1145801912 1115036308 692261102.8000 678727226.5000 759800683.3000 832692651.9000 1005289462 947792842.4000 469622088.1000 609697327 715685998.9000 710827307.9000 1214167346 1129884837 973760009.7000 1006549899 1336418740 1229078453 1213306105 1183475933 1369449065 1213392870 1071538777 937042008.6000 935072972.3000 1085930102 56072219.9300 13645504.9800 6643661.3860 9937754.3360
DL-Mevalonic acid 5313235.4930 5120454.4770 1223865.5810 1106428.1200 3368052.8820 952422.4719 1327001.7410 6081489.2420 1248131.5730 1226075.4460 5064236.2320 4017992.9240 1928373.8290 2457298.1540 1691900.2680 3348599.3880 2886996.5650 3601194.1040 1596739.5820 2033930.8960 4194840.1870 4778736.6120 4199518.8050 147396.9500 969475.0233 4701978.8850 7246010.7960 13900868.2000 3042567.2470 9056023.4100 3412968.8680 3539830.3090 2659910.7140 3689128.1140 259820.1733 62660.5359 58189.1866 267743.7621
DL-ß-Leucine Leucine 2692276879 3017230681 2005427840 2241998465 1693245949 1856256856 1048655121 1023927343 2373512666 1975397029 2310627543 2586412528 1165953492 1094040070 1324456979 779589141.7000 1508000846 1383692336 2625818101 2438335898 1342263526 986902979.8000 1096640284 1708593051 2039942385 2119636576 1648457340 1229114894 1569370857 1698075175 1836415457 1421305977 2147927258 1591991809 2575526.2730 334740.9338 455912.0407 397803.3686
Docosapentaenoic acid Docosapentaenoic acid 6373538.7550 5456778.6710 9162571.6620 7965768.1090 9373054.9650 9250174.5440 8212870.7210 7064935.4480 12094345.6900 10866508.0200 5255331.0460 5617404.4950 7912406.8390 6868439.5280 14488710.5400 12072004.7000 5642900.1340 5214157.7970 7590126.4900 5325755.8160 23589556.2800 13937868.2400 17861492.7800 17218066.7400 19745526.1100 17553637 19337695.3500 17939682.4700 18196803.5600 13753311.2800 11693255.2300 14445007.7700 17377823.1300 10771004.6000 62709.9881 269452.3641 48159.7948 190485.8285
Dodecanedioic acid Dodecanedioic acid 2414829.4790 2225143.2630 3097909.0300 3052240.2610 2421404.4040 1796472.9940 248963.1233 245070.8745 2284764.2410 2160019.2970 1320613.8250 1377724.3860 1133123.3890 974386.3471 319230.4825 241225.9934 1441800.5490 1378828.0220 3358465.7200 3213275.8320 2061988.6480 1953483.8000 2467633.0640 1936153.9010 1428488 1410353.9500 1099907.6350 1200160.6410 1881199.2770 1308322.6440 2200632.7990 2293232.6540 2357132.0630 2173521.3250 223310.0552 177139.6379 216026.1432 261761.1963
Dodecyl sulfate Blasticidin S 1894088108 1765262522 340000986 294070402.7000 20142351.3200 21238725.1300 852636513.8000 762227446.3000 427606738.1000 351394875 997729969.1000 981349019.1000 1956516481 1564062865 83482602.8000 67277360.1900 1346372429 1002945108 1317183093 1309417475 2750308639 2501333270 1278969999 1102892092 1215678884 1279838258 2586191832 2183449119 899835048.2000 666562033.6000 1688597435 1572735883 1688156173 1650260821 32401202.5000 24240081.7300 25435009.4300 24871144.6200
D-PANTOTHENIC ACID Pantothenic acid 1173468049 1196280198 1748615964 1725888752 1393660648 1138941123 878361821.5000 885179203.9000 1455560172 1479857974 970567361 1006007948 1628874855 1184873480 1358589296 1297287123 954491957 834823381.8000 1299131777 1260760194 1602448828 1487198070 1489408902 1281838084 1068738737 1104456684 1342920725 1425483905 1505951301 1164165251 1581551577 1534658567 1625730769 1550085511 159308.3929 235210.6388 378065.2286 422244.9568
D-Ribulose 5-phosphate Ribulose 5-phosphate 78390797.0700 86918622.1300 93645500.6500 95718427.4700 94436002.9800 92725353.0600 82303603.8800 73080873.3700 122687578.7000 103051169 57495463.5500 67818564.5800 70098621.4100 72193182.5500 111938440.8000 80591334.2600 52932403.6100 56262736.7400 65374892.1100 61374478.5300 80733402.4000 93455277.0600 94052695.3000 62612304 66559099.2300 75902423.0600 77964376.0100 73044847.0500 75435553.3800 61151486.5400 68596571.4000 63942807.2900 62468220.9200 68986094.1100 89726.6297 93132.8473 78175.7248 74413.1369
D-Sedoheptulose 7-phosphate D-Sedoheptulose 7-phosphate 49288095.7500 48519495.7300 51581633.4900 52300576.6900 54660473.3000 47915305.8200 49092599.9200 48270506.3700 50467685.8800 44865491.0200 39118070.9800 38271677.4600 46524213.5000 40996255.1800 74416702.5000 65674990.6700 31623780.2800 29528247.4800 32763517.3100 32976649.1100 51339290.3900 42292624.7200 51524318.5900 42400380.1200 41715819.7500 41107463.1700 49487498.4600 45467365.5400 50936679.4000 38300679.9100 48068676.6100 43420859.2400 43844043.6100 47547577.8900 101452.9886 86519.7526 78674.9224 85959.6347
D-(+)-Tryptophan D-Tryptophan 932706280.3000 911922289.2000 864344019.2000 881593743.7000 1007278800 933551098.3000 915493793.3000 922061044.3000 1168635480 1065715030 963186847.2000 987949000.2000 856802709.2000 719900622.2000 938409880.2000 867808382.3000 927777976.4000 836148940.3000 860514770.5000 832307089.7000 860362267.1000 794333828.9000 844596930.2000 759755514.6000 717764726.2000 710446257.2000 943465700.3000 903503385 909478229.8000 753633422.1000 992521029.3000 984211255.3000 1014550009 982445892.2000 418758.7829 741760.5469 702904.4305 705603.3681
D-Xylonic acid Xylonic acid 5202290.1360 12762565.1900 8686009.3770 9495813.4480 3589749.1880 5728713.5870 13862749.0800 7547720.5800 8727023.5910 6275642.3840 8796290.2060 4760266.7550 6485192.5200 7782184.2100 1036148.3010 5501823.2300 8065035.9190 9634383.4110 7945221.8650 8876994.1190 4400204.2640 7310611.9260 5592774.7650 7177345.6180 8663769.4690 6242765.5970 9518025.0810 5580304.2120 11682807.2700 9713205.2390 6886690.2710 9560209.3070 8111087.3110 7698035.5880 168555.1066 127244.4375 164543.0122 202752.7710
D-Xylulosonic acid 15053852.5400 22458362.3100 14713784.7600 20446865.1400 20291775.7500 36937460.6300 19395977.5700 7660860.0970 15708034.8300 14904923.0400 17152692.7800 15236116.3500 32533951.3700 25661853.0200 31260447.3800 31462257.7100 8837728.6180 21403352.0500 7467537.0240 22665017 32345362.8100 12077053.2100 28536227.1800 36208744.8600 11643866 8849817.1710 33702150 24370005.1800 35831322.8400 35276355.4500 24091199.3700 17836996.3500 19220914.6200 27769155.1900 227547.9112 630005.4099 830121.6699 1480711.3500
(E)-Ferulic acid trans-Ferulic acid 1744400.2700 1807175.3800 3763985.1590 3220771.9920 2721506.3060 2446652.7370 4066722.2220 3756126.9720 2269289.1890 2218633.1730 641176.6506 613527.0898 1852550.1680 1620530.5830 1522039.0140 1475673.0580 661749.2064 481704.9704 1745887.1150 1655583.8230 2365816.5430 1973265.6990 1301827.7130 1101283.5150 918667.1046 927357.9926 2078751.0740 2165704.5480 1629092.1740 1329643.4140 2447485.3420 2205994.3930 2433824.0980 2371978.9020 242247.1200 187586.2536 278816.0505 196346.7055
Eicosapentaenoic acid Eicosapentaenoic acid 5314379.2420 4604458.4010 7897752.2960 6944145.1660 6827004.3550 4976401.4740 4894003.5500 4693254.2850 8312069.3520 5271619.9420 3589532.6510 3504313.2510 4699845.8760 2908903.6750 5520657.0170 3913985.1600 3233744.4200 3289837.0550 5328245.5010 4157918.0390 20491720.2400 18335921.5500 25287304.0300 20177724.7800 17600937.2600 15137212 17235598.9600 16177549.6800 13223294.6200 10346516.5600 10686138.8400 14167405.9400 13483672.2100 10982777.3900 45514.5323 19165.1610 25891.6029 32116.6259
(E)-p-coumaric acid 124429.4532 139107.6873 371276.0334 297865.9161 816949.8207 742251.4634 321969.9365 427955.2683 425483.6133 476215.7781 457920.1816 423795.8236 572920.8867 523723.8753 430939.6257 298385.8620 448405.8674 133573.4749 568542.7244 527025.9318 16753629.1900 16058697.4100 1071476.6730 1119614.0400 1271498.5030 1127522.7670 10790761.6300 10341031.0300 1130015.6540 862515.5454 3070344.3490 2924023.1100 2950548.8370 3060010.6740 326646.9152 266305.6978 283061.0446 266552.0911
FAD FAD 84090103.3400 88620789.1600 6574850.5970 5192682.4870 63912845.9900 52860249.8100 4684280.6540 8243882.6550 124992728.2000 117042494.2000 4013689.6920 2975010.3480 58972123.6700 39171763.5400 52559986.9700 49416102.2400 9517525.4480 16025900.4200 5964951.5080 63321350.1500 83949875.5900 66318508.9100 77775242.5800 71157931.2700 2941916.6390 24106156.6200 106799650.8000 103636574.7000 114748943.1000 89770613.0200 5642693.8080 74119692.5100 88228377.7900 75379920.9000 244942.0928 178362.1288 151303.4540 134348.2055
Ferulic acid 4-sulfate Ferulic acid 4-sulfate 4799057.9600 4778561.7620 683882.1829 831468.0183 6368340.9600 5484995.7030 4309991.7460 4443760.1900 15165341.2800 14362828.2600 7299301.4100 6830428.2290 3814611.5870 3085131.7540 642399.4360 506905.6548 2581447.7930 2124544.7860 4442601.7180 4410972.8490 53922872.2500 51303105.9800 10556469.2100 9320814.9240 8974523.3350 9097175.0930 68414370.6300 64733856.9200 8818643.5740 6916169.5720 17708436.0500 18006390.9100 17444145.5800 17895418.9600 34611.0948 33822.8231 32809.1257 32193.0108
Flavin mononucleotide (FMN) FMN 61300166.3000 60474054.7400 62810083.0900 64661130.8000 73232599.5200 63514530.9400 75413907.9200 74998892.2500 67984388.8600 62223009.0700 26568524.2300 25909594.6800 22646063.8000 18662565.9400 19934426.9900 18682835.4000 29073240.6100 26690577.9100 38840330.6300 35865155.9400 64036626.0500 58571920.7900 75727014.5100 68643634.7200 58776420.1600 56889121.0100 108844892.3000 108516529 70367377.6600 56674543.5600 46422242.9400 47369139.0200 46491519.3500 46705237.8500 54732.2303 82096.5333 142995.0227 43871.9019
furoic acid 2-Furoic acid 14032885.6000 13307626.6800 4555885.9900 3167225.5060 2951051.4480 4054154.4450 3120154.5030 5820638.0080 7396491.4480 7107944.7940 2187278.1020 4274963.2660 4232328.4250 3650457.5510 2891091.6910 4254665.2020 10470460.5500 7728805.2400 11790997.2600 11519177.2600 2681301.9980 4397782.8770 4360427.3650 3289612.5700 3671591.8190 3226191.0820 3502532.6480 3230324.2980 5095051.8290 2370276.0300 4983675.0510 4983354.7210 5914549.2090 4768657.5210 50906.0348 39919.2224 34363.1605 40923.5681
Galacturonate 1-phosphate 11130272.6800 13204372.1600 12283023.7700 12850187.7200 12668904.8100 13020957.2000 13173966.6200 10332477.0700 21314410.1500 22316154.4800 4183960.7440 4453369.2840 3416188.6860 3403873.0510 8486254.7750 8696201.6840 5673185.2180 5526364.4370 4273715.0400 4661325.3280 15586601.6900 15898543.5000 15207471.6100 13729190.0600 9202113.2420 8379860.8440 13780219.2200 15545769.1800 16822724.0600 14323920.9000 12631233.2600 14275321.8900 12211938.3300 13349255.1100 638502.5465 80007.5341 53475.7504 56300.3806
gamma-Glutamyl-N~5~-acetylornithine 8768298.6000 9841525.6120 9489693.8500 12856152.4500 11119416.7200 10741658.0500 9588056.4750 9811757.0440 11574733.9100 9754145.6830 7594058.1010 9696769.5080 10820035.4600 9282553.1160 9318348.7180 10489077.6900 8877697.3080 10457676.3900 11066828.9800 7873080.2010 13725662.4300 13817619.2400 13716100.7500 10898432.7500 8874087.1440 10722376.8500 12815449.1900 11037960.0200 10427516.5000 9431642.3620 9052822.6780 14275009.9500 9339539.7130 10565936.4100 82951.1286 85469.5472 88316.1936 90388.3058
gamma-Glutamyl-S-(hydroxymethyl)cysteinylglycine 804964.7973 1051895.4050 1318718.7630 1549028.3040 1000481.4970 1372790.7050 1370780.1340 1807250.1850 1037326.5530 1248740.3700 2245662.2300 2323084.0930 1828412.1590 4196429.2480 1199293.2510 1574502.2060 5652565.7020 5639728.5930 2268190.3320 2725043.4530 1194306.8200 1515972.9810 1539733.8130 1189571.4970 1746130.0200 1751720.5160 2615528.6590 2907257.6070 2768365.2030 2473820.7580 1818466.3940 1951498.3930 2110778.9180 1766404.7320 49358.7549 45281.4102 42523.5502 42325.1782
gamma-Jasmolactone 582908.6693 610231.0891 573645.8572 530974.4051 767625.3959 640088.2080 95810.7475 404553.2446 425558.9208 459849.7620 283064.2522 147786.0107 177564.7591 821371.2549 644675.9996 315135.6643 197029.2912 211103.6378 601395.1168 516798.2919 4406518.4760 3635433.9010 895722.4821 757831.7156 1097005.5870 925080.7557 4603339.1260 4602789.9410 5548186.0390 3782468.6330 1283172.9700 1626113.9770 1530241.9860 1304047.3340 138295.9291 105946.4442 237865.9808 774685.6760
gamma-L-glutamyl-L-tyrosine 24718443 26828036.9500 33010073.3000 28247250.5300 24514729.5500 17832649.5500 25036629.1600 23844798.3500 34652371.8600 33524943.6100 32757214.9400 25337837.5600 49470375.4100 8414632.1900 21802539.8100 21412505.5400 15458484.8200 13364162.4500 39483026.2700 41093683.3400 40199193.6300 41264751.9100 38650398.9600 11244233.1000 34165341.3400 36532146.6100 16523360.0300 17228733.1100 17829675.2500 12460912.6300 39140016.0400 35104685.3400 42300576.9200 36807462.0300 217142.8958 104770.9133 143254.2122 88174.6049
gln-phe Gln-Phe 2881390.4910 3424840.6950 3204814.3230 2997117.4650 3459900.4530 3004780.1640 2564811.9860 2484780.3570 5090821.6810 4901303.4370 7035830.6480 6473618.2210 6361092.5260 3247608.7400 3831151.8470 4440470.9470 4517680.5850 3799446.1040 7007617.8980 6733846.9540 3389976.8840 2508804.8400 2273072.5770 3612395.5260 7047721.0530 5349315.0290 2904051.0800 2894664.9770 3571869.9050 3056675.8970 5176344.7890 5087845.8490 5999079.2790 4818371.8900 53827.2712 51840.0863 53209.3100 59047.0840
Glucose 1-phosphate Glucose 1-phosphate 112480416.5000 111399592.1000 117520981 119383514.1000 117833670 112509485 106697251.9000 110034824.4000 135002634.6000 125454225.1000 118113894 116147215.3000 113444233.5000 108954634.6000 142153184.7000 142676143.7000 113439987.1000 110314094.5000 85365527.3200 89824104.6300 113078377.6000 108576174.2000 105809965.3000 100284910.6000 96931230.5800 94367835.8200 106026182.2000 104264369.4000 109720137.4000 95123918.7500 118773785.8000 108966711.7000 106676785.8000 117973258.1000 129068.9269 126269.0933 89495.5942 78137.5004
Glu-Glu Glu-Glu 25616784.1700 23899222.2000 11962397.3600 10551232.2700 17225994.6600 19415664.6000 13413224.9100 16716154.5900 10583591.4000 13688862.2000 11719938.6400 19017015.7700 23100038.9900 106056948.2000 30265813.4800 27052198.0200 25679337.1400 17814248.6400 14546507.4500 12074858.5600 35132766.0300 15936225.4500 25552554.8300 15317630.1400 60759691.1200 41386034.8200 11189040.2000 61850139.2000 74455790.7700 55005952.6300 20780521.8500 20112111.4600 15249109.2200 23009972.6000 105686.9835 151903.1905 95970.2479 116495.0807
Glycerol 3-phosphate sn-Glycero-3-phosphate 987978096.2000 971251763.2000 1012987202 1035536028 1001251786 874724863.1000 1238490505 1150947123 1058728241 1056370915 626214682.7000 622148247.4000 929596164.9000 743679503.6000 1125494564 966262806.5000 505224324 465947522.2000 809132948.1000 754947980.1000 962795041 874069045.1000 959898158.5000 906708353.6000 864426008.4000 824823140.7000 1010147170 858773267.8000 927669144.8000 640903991.7000 945234495.8000 913906295.1000 954287499.4000 931523596.6000 183726.1204 322223.7876 273948.6179 440476.6760
Glycylglutamic acid Gly-Glu 7141188.2480 7775386.6210 6065419.0710 7005433.5400 6508681.6840 4724081.8590 2730034.9240 3587889.3620 7368574.5050 6832574.4240 4614812.7160 5775865.6440 11359614.1700 12664631.7100 10962686.1800 6371195.0800 1130026.0960 4097237.0560 5084568.0340 4641833.2320 4925238.5810 675471.8893 1206373.2460 7347129.1760 10367842.0200 9814529.8840 10313392.6900 5637310.6120 11175571.3600 9862068.9470 3780340.5250 3012303 3801720.9420 569646.8569 367636.6433 564729.0714 794930.8532 938047.0341
Glycyl-L-leucine Gly-Leu 2998719.3430 3991604.3990 3910316.4890 3633679.9810 1636245.3470 213736.3734 3535426.0690 2895132.2420 7621985.6230 5672878.7900 8255322.3670 8829348.2610 4919130.8620 212202.8354 609587.9136 206812.3348 183003.6982 162768.2399 12470953.2200 10898725.2500 3161060.5560 1014954.9160 942792.9867 276618.0159 4911597.1840 3554669.7670 994543.9193 252749.1536 277037.3597 267572.9776 5848015.9740 7109924.0610 5865665.1430 3229423.3130 62199.3576 63746.0158 52866.8240 51905.9575
Gly-Phe Gly-Phe 3536593.4720 4157992.4700 3365314.6460 3421608.2290 4880599.0780 4165897.8400 3387097.8830 3390037.4720 6578542.4010 6204043.4940 6911491.6700 6995842.5200 6784862.9320 5761812.4530 6284472.4830 5819919.4580 5444854.4930 5140710.6130 8122684.2650 7935139.0040 3932906.2500 3705511.2240 4012025.7190 3810614.6060 5727355.0700 5780106.7470 3661917.1580 3581175.4250 3727271.6880 3197284.5780 5464100.7140 5660406.3100 5718615.7410 5433386.4630 79339.5709 74356.9134 55890.7080 57490.8385
guaiacol sulfate Guaiacol sulfate 136945.6310 265618.2874 157189.7233 152187.8488 136918.5854 147789.2316 135992.5740 229598.6883 143293.6243 193129.0148 265893.9797 334829.6813 134324.7887 140410.4494 135215.2600 136921.2968 300692.3833 217211.2278 1898425.8370 1944240.7920 17618341.1000 14932729.5100 4344217.1400 3963455.8260 4756102.5170 4456662.8590 23826530.6800 23941261.1700 6418696.5850 5229207.5970 6739936.6990 6401557.0860 7455527.7330 6405355.4930 67345.4396 254753.0375 208727.1302 193708.2634
Guanine Guanine 6423011.1480 6118943.7110 7882284.4510 7658707.2110 6728372.3330 6357541.6860 8157626.3150 8045116.3150 10020244.7600 9622748.1700 9152485.3270 9183585.8860 12042522.5600 10506804.1400 4848968.7750 5339455.0230 8755350.4060 7003722.2350 11030416.9200 8403114.8120 9139361.3190 8569920.8130 6888239.1550 8268129.9380 8245366.2260 8949391.6030 8883903.4490 8573792.2000 10051586.1500 1273741.5080 6669815.4840 10268581.8200 7590712.2730 7758297.8410 107647.0768 116510.8466 130337.5743 70823.1278
Hexadecanedioic acid Hexadecanedioic acid 5190681.5270 5035404.0340 10906925.6700 11124665.4900 7967626.8470 6732914.9210 7193867.6620 7564003.2210 8363886.2540 8231574.5330 5012554.9230 5037132.1020 6426014.6630 4946154.9020 16006275 14920408.0800 3221626.5310 2681943.1020 7853391.0210 7600579.4140 6778311.7190 6897141.0600 5944341.2190 5177548.8330 5213074.4690 5355037.8290 6044887.9940 6015744.0920 6614413.1520 4658922.7500 8283391.7030 8620056.8150 8325261.5990 8382314.7780 121433.2910 119382.7787 93240.6453 88099.2604
Hexanoylglycine Hexanoylglycine 1896327.8420 1960589.5200 2094608.7720 1986251.6140 3310397.1660 2829235.8710 7296771.4710 6526293.4780 2355398.0980 2379539.2970 1207859.5310 1293870.4270 2147967.3220 1977064.1630 4557639.3120 4522677.5630 1255831.1650 1138117.7140 2027614.5420 1889780.3680 7951715.0850 7462243.8130 8224908.3350 7757921.0400 5480451.2310 5732249.1110 3217122.5340 3434092.0500 3516579.3470 2928697.1180 4072765.2400 3706429.1510 3640485.7090 4123443.0300 315953.9283 358819.1727 405492.4898 434105.2431
Hexitol Sorbitol 30818385.4600 29765187.8200 36930219.7800 32468157.5100 61696501.1100 60438871.9200 31123219.7400 31360282.3800 62133283.3800 65661187.2700 17630465.0500 18011321.3200 24741777.6000 26539760.3300 26678822.7500 31814415.3500 12104181.2000 11830551.3000 27320237.0400 27284695.9700 25084182.7200 27017752.5600 30040337.6100 28572385.4200 31327535.5300 27598206.0500 74437258.1400 73556338.9900 35435866.6900 27903916.7100 41448033.4700 45134581.3900 43585634.0100 41986004.9400 1580970.2570 856183.3218 1695987.1260 1753953.6470
Hexose Hexose 1727124950 1738204270 2032278576 1692046268 2287358378 1789022940 1616775291 1590955551 2783210577 2171713778 2014279560 2056148749 1438438980 1773366496 1989953190 2304124704 1606235072 1912172840 1549837602 1876500387 2000661778 2019197189 2622493906 1893844241 2383375767 1915403643 1632848327 2316244868 1895218047 1609784470 2402117229 1171125254 2439174709 1993147442 7554320.3870 11829169.5000 18183224.6200 19562050.2800
his-asp His-Asp 31225231.8500 31610517.8300 24947351.3200 36484863.1100 26820056.1800 13681785.6600 17751076.9100 20302515.0100 31969245.2100 21290032 46088857.9200 30315028.1400 78892741.0800 33141203.3000 50633486.5300 17006231.8300 104070172.4000 80752594.3800 42439703.5600 37300443.7600 43363731.8500 35883762.4800 36159357.7300 21708887.6900 20920988.5600 730025.3367 89878851.0100 77427118.0100 51254063.0100 31936728.9100 82911432.6400 84164311.2600 92058724.3800 81770048.1700 192572.1982 55580.0542 76546.0358 60795.7314
Homovanillic acid Homovanillic acid 3589735.9300 3710238.5030 2467520.3650 2277945.6910 2248625.9340 2026672.8450 4656836.0140 4719482.4650 3022953.6490 2855406.4590 1945903.5510 1710722.6070 1736647.3150 1553541.3280 2259648.0430 2194163.8720 1782131.3120 1806286.0950 1775075.7270 1641042.7920 3327828.6550 3186639.0040 3419700.1010 2620273.1890 3285267.3300 3493994.6700 5749877.2720 3269854.8900 5881011.7900 4023899.8210 3463152.1410 3354322.1440 3447176.2630 3434342.3810 188981.7988 132811.5653 176907.7248 181403.6092
Homovanillic acid sulfate 148228.7763 124108.1072 78632.8687 168431.8878 66358.9941 55280.0389 217247.6502 234421.8812 241012.6154 307692.2303 85007.7092 119423.6135 100351.9939 58025.8164 55608.4987 56050.0710 100285.5789 66842.3798 67543.7249 64724.5569 3259395.5040 3315017.7520 3132609.9660 2652696.7980 4149321.0350 3992134.1380 4088766.1190 4020509.1110 2181187.8510 1939293.6940 1106856.8670 812280.5054 1091496.0460 1000983.6920 49365.0444 39580.4576 35259.2364 32637.7818
Hydrochlorothiazide Hydrochlorothiazide 117917.1318 142809.0407 227497.4063 199366.4392 873158.2511 688138.4924 373050.7262 278223.2242 263726.1973 199862.6140 4311525.0660 4248878.2280 396547.6594 246669.9009 180515.5861 207352.2708 2151766.8310 1736808.0220 120244.1676 113137.8550 148430.2655 146658.9924 2898685.1660 2649577.8370 768653.4130 806663.1980 7218633.1990 7630308.6890 2548231.2790 2154771.2780 2047216.5690 1875544.2650 2037950.3470 1990665.8420 38473.9733 30826.8674 30621.4259 30503.0929
Hydroxy acrylic acid Hydroxyacrylic acid 37588372.3000 31848619.6300 53922666.2700 34213153.6700 29868104.8800 27751069.4000 21553945.7800 29688547.2000 55836130.4800 58194242.1100 23454175.1500 16809213.6600 22508385.1600 18639896.3500 18541437.2800 26802171.0600 35234377.3400 31252756.2300 35925376.8900 26001668.0800 39153417.2700 36132047.3700 27091653.5300 27300718.4100 68401991.4600 55458464.3000 39140763.7900 34294821.8500 41206884.5900 41936721.1100 35742291.5200 31517513.2400 29102606.5500 36392478.5700 1486188.1360 1439476.9730 125522.3422 1320998.9900
Hydroxycaproic acid Hydroxycaproic acid 14274800.4300 13982216.6300 24358777.4500 23661488.3100 18171619.2700 15395933.7300 22611795.6400 7066497.2400 14992866.6400 16006918.8900 5133577.8580 5073154.0600 10391344.7500 8652255.1150 22939468.0700 19078735.9800 7801124.0930 7580576.5100 10412729.5500 12382389.7700 32470326.3700 44918460.3700 20048853.8600 17732235.9700 22010127.0400 22101238.4400 15339375.7300 13554958.1000 21927676.6600 16961500.5000 23637403.1900 24421588.3700 20080438.4800 25778909.6500 141379.9052 527264.1154 614739.9660 831545.2208
hydroxycitric acid Garcinia acid 16476093.1900 11572553.3700 6998342.4070 5157938.6410 3179334.0470 23237283.5400 14223218.7000 23362056.4400 22153091.8100 2198081.9480 17633432.4000 15997410.3300 3136182.9670 7756984.7580 22377467.7400 16578073.9100 9839043.4360 1981873.0420 934857.1284 10215917.6900 4193860.5310 12876638.2200 30735434.7200 37967129.9800 50393291.7400 31888745.9300 3285797.5270 3844002.5100 14015721.0800 10102923.3700 4905430.2300 16559397.1400 3422585.9850 16559397.1400 111518.7312 129974.1609 152001.9602 194810.5824
α-Isopropylmalate 12846664.3500 11521401.5500 2398752.4370 2789065.3220 859713.2220 2959095.3720 6784274.1550 7792598.8330 3880549.3070 3889909.6040 10388601.9300 10526401.1400 1872344.3210 1793511.7740 1459648.7760 1423155.9840 3791499.2110 2856671.7860 2878025.5550 3698722.3120 12761583.3700 12407245.7100 27851322.9500 24142287.4000 8220197.3880 12393930.7000 18376994.6900 15905633.2300 23742282.1200 16842860.9200 8957718.4360 10813216.4600 9025853.6300 9473107.3950 1844634.8170 1761588.3940 2213077.0750 2275383.7040
ile-tyr Ile-Tyr 1767010.4370 1848431.8890 31964.9260 32449.5919 2287138.8800 1670495.1430 29453.0407 29009.1312 33309.1348 31865.7676 29205.1464 31206.3656 2013562.2790 1699826.1310 4565210.3650 4281658.4800 68756.5855 118517.6651 357087.8024 232092.4404 2899728.0850 2654868.6030 2388016.9700 2341809.5780 30103.0460 30814.5886 2541476.4460 2310610.9830 2141351.5230 1602206.5690 3533135.9930 33914.8822 3449615.0480 3563255.0420 16975.4299 17208.2354 18679.4567 20858.6150
α-N-Acetylcitrulline N-Acetylcitrulline 545046.5587 848739.6356 361289.4539 412832.0296 1039378.5060 131948.8893 1943802.9130 2537912.1240 2254452.8200 2241318.8590 222127.6631 207057.9233 2374988.4010 2041144.1950 1912835.4330 141717.9173 2528081.6340 2735340.4160 254073.5462 2659748.6780 343659.2621 169821.6404 163475.1846 2699201.1600 178688.1714 178842.5528 4245159.2930 4565227.6600 4087220.0630 3451929.0580 1121591.4780 1121591.4780 146102.4788 125977.0255 40273.8338 22140.2735 16791.0758 13058.3538
Indole-3-acryloylglycine 7351770.5600 7257563.4730 5021856.9540 105279.7577 91302.2751 7017417.6830 55666.0788 50513.5801 54981.8418 99190.3900 5338901.9520 5645452.7790 180942.5103 132208.4974 13911726.8600 12770356.0700 7155012.3170 6601456.7220 8573655.3650 8697965.5570 13287480.3500 13535261.8400 15638247.6600 13779851.8800 6955528.0700 7909317.6330 13737712.5400 20823057.5200 8400230.5040 9220438.6150 8086398.0380 10647889.5500 13591648.7400 4697238.0310 24974.2952 27334.5953 46063.1382 200833.6233
Indole-3-lactic acid Indole-3-lactic acid 2645635.5530 2424607.3980 1902588.8990 1781937.3940 2336721.0280 2182145.2560 3158847.5800 3388220.0060 4516724.9960 4330242.1720 2786422.0610 2625902.1390 1964104.8800 1335345.8370 2448556.2700 2215464.3870 2844322.1640 2319700.1800 1669261.6490 1700016.5710 2951064.4600 2972804.0720 4567986.3280 4015160.4130 3934965.4060 3742854.8400 5408049.1950 5165865.9140 3627201.0740 2726975.4090 3853744.7070 3772446.1380 3781277.1180 3848395.8710 553356.8595 551488.8141 625796.4402 526876.6299
IpA 80223.8188 92570.5881 564313.5204 528200.1157 476397.7105 388002.9010 80683.4467 98653.7564 1414019.4250 1290264.6800 936264.6715 998156.5812 726475.5751 691634.3070 3513528.2060 3075037.2820 1678179.2410 1497086.1920 2983466.5580 3065214.9050 13291184.9000 12846497.2500 10102960.1600 8954488.6930 5240234.4520 5180158.5140 17206130.7700 16601789.2300 15894996.2400 12736890.4300 6280220.6370 6465336.8740 6305576.2940 6331019.9300 135532.9144 44093.5663 44308.0376 50351.8733
Isobutyric acid Isobutyric acid 4632480.1760 5023254.4850 6190389.5370 6482846.9930 4433897.1020 3389868.6900 4877660.5130 3520327.9320 3746415.4700 3222887.2260 752167.6341 666028.0678 2674444.8780 1825061.2350 3947165.7100 2098766.8530 2077471.7510 1776446.4700 3953162.3930 6693593.2160 8263547.8710 8222928.6840 3819709.0150 2847421.0850 6504228.8280 6330787.5410 6036448.4270 5021094.1740 9630971.7390 3467979.6390 4290326.4570 4367012.2220 1698718.4580 4379749.7520 420119.3922 71929.5446 522650.9344 505157.8653
Isovalerylglutamic acid 33741780.2900 20037103.2100 22535463.2600 12797282.7700 11714970.4700 9602563.6620 16410602.4400 15406008.7100 16152989.9500 24471234.6700 10003370.9500 14479989.1800 10937061.5500 8876406.4440 18301434.9300 14156247.7900 15106370.5000 7856722.2390 21992773.7400 19283752.8500 24006167.1600 10372785.6000 13753313.9100 14721794.6600 13494030.8900 20537515.4200 18265731.1500 27521056.8800 20703252.0900 13830332.7100 26149395.1700 22743974.0400 20629673.2000 25921340.1400 148636.6877 120697.9524 60413.8844 50685.9521
Juniperic acid Juniperic acid 3852383.3020 2823319.9460 3784674.9330 2869896.5450 4070709.7640 2694973.1700 6210219.2230 5280066.6500 3534590.0060 2482052.0110 1037975.9970 1361932.1500 1183416.3200 1010129.6380 1752293.5300 1240190.1490 1139539.3830 1321378.6470 1257230.1850 1185526.5280 3993046.7580 4048358.4220 4071484.0940 3237869.3380 5673326.5700 5223066.0930 2804299.5430 3132688.9460 3469817.6170 2644403.8530 3221355.2120 3640717.8650 4008980.7910 3119561.7980 58171.8843 51288.1367 39194.9190 19617.9208
L-(-)-3-Phenyllactic acid L-3-Phenyllactic acid 2986609.0980 3119740.3910 1989109.0380 1990764.1710 11042944.0500 9691628.4140 7048948.8880 8182563.8610 9245440.5230 9134615.4410 4590327.4660 4419448.1590 990642.6924 792830.7361 1905869.4680 1833422.2590 951548.9355 730891.7118 2469937.1240 2249660.2660 3822159.8930 3337827.2330 4740577.9710 4460237.4030 9663897.4480 10096152.5000 16611517.8500 15813162.1600 7597332.6900 5631755.0710 7559280.3680 6919165.1880 7493051.4640 7365279.9900 255372.2057 217116.8462 232418.3907 248059.4375
L-Alanyl-3-{[(2E)-4-amino-4-oxo-2-butenoyl]amino}-L-alanine 4031600.1910 4338057.5330 3907915.5830 4405951.7050 3707208.3230 2466970.8440 2226027.8680 2164602.2180 2413844.4240 3703367.6230 2937339.4040 3817374.7300 9035885.4300 4471126.3800 4246663.8400 3257253.7010 13987637.5700 5012167.1010 6259221.4250 6229336.5860 7336900.6640 6697291.2820 4613061.0050 3862928.2380 3199756.6320 3462456.1260 11638301.9900 8189653.9820 8302456.6330 6691376.8630 9194015.3590 10205648.1600 8803406.4790 9663286.0980 121312.2394 95312.9177 104221.2209 98053.2711
L-(+)-Aspartic acid Aspartic acid 846124879.9000 909898672.5000 826218262.1000 868346342.1000 1153978783 1029541948 1076116853 1065057943 1205154429 1097188252 671003470.8000 732461960.1000 733753453.7000 1018895674 792785451.1000 792831967.7000 482303807.7000 430706270.2000 612751949.3000 451095088.5000 553408247 500492423 817650813.7000 680947682 652817301.5000 483362882.1000 755375539.4000 719424087.3000 831405780 693822356.6000 917996520.3000 866143087.4000 893142477.2000 909997601 16612903.3500 16437990.7100 2207053.8030 16423297.7300
Lauric acid Lauric acid 7867800.7720 7722374.7610 8305896.0570 8115878.4590 7894530.8500 7217732.2370 7200569.2820 7140933.6770 8070527.0770 7478966.2640 7514923.0850 6696908.5070 7241957.4860 6041274.6310 7460505.5240 6687362.0350 6679758.1190 6729229.5180 8001462.9280 7469373.4420 8502558.8670 8123585.2680 7767893.2730 7127349.6990 8158600.0590 7995579.3740 9078437.0550 8545694.0770 8213653.0290 6240528.1430 8194077.9770 9511301.7640 8239589.5130 8620710.6710 4460124.8280 3816252.7210 3331868.1500 3658611.2630
L-Cysteinylglycine disulfide Cysteinylglycine disulfide 2433868.3780 3175559.3070 3472702.6790 3940948.1300 3954495.3470 5721653.0410 3591047.6030 3617781.2800 6372964.6440 5047202.3520 10141360.8700 8809524.0580 47039032.4300 47119359.5400 22388166.9700 19809277.5900 10769672.6100 8607838.8020 10058990.5500 8053025.8300 2157307.8600 3042085.9240 4528814.0680 4751908.2440 3833061.5690 3936981.1230 2980103.4760 3338812.7700 23004279.6200 19031855.6800 3847893.6020 5152377.9750 4574839.7680 4048332.4930 47950.3711 41093.4473 122579.4330 241717.7129
L-decyline 1977690.4490 1496235.4840 2201982.3100 4009431.8610 2342781.1970 2342846.4010 2345820.4620 2378726.8970 4229066.7830 1208311.9860 2658460.1280 2926626.8130 2231230.7110 1903226.3780 1500053.4100 1518872.3530 2818017.6960 2833365.7380 1781386.7340 1606425.9340 974019.9183 981706.8412 977289.0528 823896.2559 702769.6198 645677.3210 924120.0694 1018192.4690 1097309.3050 858271.9226 1930911.9490 1439673.5350 2154911.9850 1692853.3640 36576.6428 36623.0953 36630.3896 36206.7290
Leucyltryptophan Leu-Trp 1348438.4860 1568523.9660 1247733.2590 1361964.0100 144096.4642 197451.8374 900770.2611 1016354.7030 2021755.4580 1824481.3350 2651345.3820 2679466.9350 1764817.2330 1080201.8800 1262912.6040 1120244.0090 2465427.3670 2426001.9050 3882766.8920 3798253.3090 2179175.6270 320080.8693 321398.7361 518225.3316 1458308.2650 1426448.5170 1375169.2910 1451548.9320 1616301.5730 1201369.0200 1908788.2020 2481201.6140 3159427.6340 1213874.7320 26818.2278 30425.8233 38003.8403 56503.2123
Leucyltyrosine Leu-Tyr 4533344.0170 4453606.3040 118144.1902 4117302.8660 2676398.5890 2459019.8780 112769.3592 97989.1788 245316.8207 4303172.0110 60151.8238 125999.3167 3436734.1850 3139743.5850 6033923.8220 5452246.0320 58617.9597 174145.1935 5913293.0420 6785478.5960 4518326.5090 4164159.7550 5055240.6120 4438864.7330 5281623.4140 5277360.3330 2697772.0290 2852165.7690 4140543.5430 3470155.7820 5237241.2320 4942896.2460 5263580.8440 5130773.9670 37532.8024 31110.8187 31851.8081 33065.6088
leu-gln Leu-Gln 2246469.4110 2260170.5120 2594031.8150 2568241.0250 2229125.7190 2732229.0910 2402528.0160 1740264.2810 4325418.7310 2999682.4270 4970545.7430 487802.7199 3794414.9910 4221437.6470 3661728.5970 3956782.2170 789796.5352 969686.2689 650294.0307 4309427.6300 2885810.4100 2911994.4220 2727765.5350 1213970.6780 2963574.0500 2822709.7180 3641802.0430 3327746.9090 5841048.9110 414955.7425 3325094.2840 3573619.7370 2696893.6570 3572000.6180 65789.8445 54138.6825 45691.3859 40858.0220
Leu-Leu Leu-Leu 11437238.6100 11629933.7800 122761.5708 201931.4603 9049602.1580 8755704.8020 11110374.2700 10653122.9100 16896474.5600 15342444.7400 371832.2622 475064.2214 11867032.9900 10629142.4200 16113780 15618072.6700 15145465.2400 13726096.0900 397370.4599 311702.2956 16148778.9900 16291794.9400 14808435.8200 13435655.2000 153105.3729 308918.7894 103855.7743 154768.4932 237750.6090 159689.7955 171180.4146 480302.3797 17122682.4700 17122682.4700 41859.1977 34343.7141 33179.2396 33576.8029
leu-phe Leu-Phe 23271670.7400 24829675.8700 31665126.7500 31839810.2800 91026.8428 142815.8845 30556950.0900 31032209.8300 44761415.3000 42337842.9400 41627695.6600 43363088.8500 90839.2122 75310.0493 193091.2866 9229336.4090 26863630.6700 25304317.2000 53196122.3200 54673280.6800 37356479.4600 161797.7342 67956.7598 116157.6874 35493853.0400 34697028.9200 26182980.3300 25760776.3400 21043361.4200 16872348.4800 41124537.4800 40603520.7900 41125363.9900 219533.8552 64270.3795 36717.4431 45663.0048 34355.7543
Leu-Val Leu-Val 5213759.3970 5358275.4690 7511159.7370 7459791.6470 70916.4799 84854.9352 8105803.2070 8261272.2120 9816240.5120 9398485.9290 11921568.1600 11768842.1700 7474492.8870 86955.5581 78836.4319 161930.4857 9038763.6120 7862481.3020 11601532.8900 11519255.8900 7039172.4860 6818892.2620 7694171.4700 7045423.8330 7848800.9750 7747683.4900 6215070.1750 5898409.2380 6484787.0670 5282977.5650 9614462.1620 9213826.1860 9591283.2480 81549.6079 49051.0238 40924.3204 37164.0686 34426.6547
L-gamma-Glutamyl-L-leucine gamma-Glutamylleucine 3354707.1840 3391792.8540 1410975.9720 1447782.9560 2622635.4490 2926701.1360 1749490.8870 111943.2046 131458.9511 2195589.0900 7886568.1840 7204601.1240 6306791.0110 130177.7894 5009254.6980 6178014.5230 125588.7519 145631.7723 8293458.2140 8317404.0240 2298066.7330 2090767.2980 2056422.6410 2330181.9850 109408.6552 98459.2508 3086272.9090 3104930.0140 6771935.5090 105279.7898 4568318.5700 5283491.2880 5670942.6750 4250679.0750 48482.5977 51259.5791 67657.1873 88038.1231
L-Glutamic acid Glutamic acid 114199909.6000 98581469.3000 1408152939 149701582.9000 1101081860 74478831.8800 73279067.9600 85110274.2600 841166910 922201311.6000 955755963.5000 1119314207 110791129.7000 80414121.3700 1028217744 1017237771 1270306254 1464830378 1178665715 1311161032 1239935783 139298421.7000 202276703.2000 95787258.6100 1380617452 1172066044 69410334.6100 52291975.4000 1168984025 88535114.2700 123001030.9000 1164966779 1164966779 82286257.9600 3548091.1360 5636604.9710 10456912.7700 11645462.9000
L-Glutaminyl-L-Leucine Gln-Leu 2362140.2440 2556121.9570 2491886.1030 2543541.7420 2557808.8800 2137470.8740 3405450.9260 3129063.8550 3424629.2140 3094636.2150 5014403.8970 4603671.0750 3525392.1980 1671151.9950 3501982.6180 3755347.5890 1125127.6380 2217507.3620 5205544.3210 5037996.6230 3156516.0100 3120938.6280 2966824.7120 2224593.2260 3654110.2680 3041580.1000 2272186.2940 559459.0731 626575.0062 1352001.2090 3979440.4920 3378982.7390 3849947.8060 3790272.4540 64932.0090 51584.6888 47014.9007 42379.6386
L-Glutathione oxidized Glutathione 1947368800 1884867670 2723743280 3151265610 1518061662 1677938511 1528926420 1583153422 1904506499 2049658342 269512540.2000 334149932.8000 719402138.1000 914214111.6000 1056493605 1193008565 437941580.7000 2101617.1830 27989812.2900 296901891.9000 2161589674 2316287120 2310660919 1891133478 1451946432 1367480592 2737547256 2791100350 2121374823 1822305369 2034946197 1844002651 1859021762 2027053660 128425.7529 138486.5432 188553.0616 170658.3142
L-Glutathione (reduced) Glutathione 18288762.1200 20893359.3500 31076426.1300 29946566.0200 16357215.4700 16996928.1500 17076334.5600 16735210.7600 18909393.3300 19487193.8000 15938976.7900 15065732.4400 6616974.7320 7775011.3570 9789545.8360 4252559.4080 1269426.6160 625757.2414 16233776.6500 16336962.7400 24572171.5800 23689202.4500 23064714.4900 23256346.9600 18334234.0700 13966764.1800 29134594.4900 29152365.2300 20722348.8000 18029516.8800 22027553.3400 19532100.7400 19634780.9000 21980564.2000 137095.0103 101348.2158 95600.8573 86598.4969
L-Histidine Histidine 58207739.1200 40507448.1600 67091641.3400 65230089.3100 67657839.6300 63139494.2800 53898248.2200 51031834.0100 50634805.8000 48858814.1300 47648219.4700 45040009.9600 47837579.4200 53335193.0900 48749006.3400 42425193.2000 41983886.7200 40492541.7700 49079212.6900 51891279.0200 44386462.3600 44282352.5400 51438034.6600 43479099.8300 39599288.1400 38288891.0900 45624857.6100 45820051.3000 43150960.9300 28513384.5700 49289202.2900 49207167.9600 50243091.4300 48945599.2300 925574.2101 142093.6144 904937.6408 348761.5925
L-Phenylalanine Phenylalanine 1501987891 1502887039 1677057663 1530034270 1707297233 1662114495 1457807071 1432663118 1790626200 1797989422 1670652484 1851929211 1578785171 1325089048 1507794782 1604133152 1377779823 1254664264 1562295643 1615445274 1594844762 1795866706 1527803461 1454312436 1459833410 1329715247 1561982771 1558399292 1775722808 1613110179 1929753974 1853528865 1968182556 1891545495 601695.8254 651247.6589 909839.8652 983877.1667
L-pyrrolysine 30006611.8600 28707795.1400 14273137.3000 14263160.9700 9362401.8590 8912351.5150 16946671.2400 17358219.7100 468712.4177 557099.4662 11746705.6300 11690986.0600 15411909.5600 12674824.1800 14480514.9300 13237427.7100 37324882.4100 31597853.7700 11746646.8100 11244615.0900 13830097.9000 13084052.9500 10014328.9100 9296707.8760 9682780.7260 9345446.7930 16171036.4200 16172062.2300 13522053.3800 11263186.3700 25951427.3000 28430170.5400 27831154.2600 26302960.9300 61542.1519 63753.5305 52900.8967 54897.9172
LT9970000 3450202.8020 3286681.2420 3456825.3490 3303476.3380 3641959.3160 3534772.5590 3023932.2570 3021347.3830 3247528.7510 2780768.9450 3715089.2890 3461295.2570 3509557.9430 3086096.2940 4271480.9680 3744511.3640 3802278.0550 3445900.5080 3530008.9730 3540026.7630 3531048.8670 3319911.4750 3681597.8080 4038638.2290 4338585.0160 4785563.7120 4091506.9940 3692656.4580 4231289.7470 3715419.2550 3066758.7670 4032612.9660 3046300.9990 3405513.3710 1609609.2650 1845502.6900 1796189.6230 1809455.3700
L-(+)-Tartaric acid Tartaric acid 126443911.8000 129195888.9000 36233171.6000 37773770.6200 395366606.8000 375019656.3000 490628810.7000 466163078.1000 539868932 543656853.3000 68865573.3700 73931411.3300 30135646.8100 25130212.1900 22014592.5600 20642503.3700 49107741.6200 44462790.9500 76436194.7800 74733749.2900 154493670 157901494.3000 143323574.2000 133209270.2000 64887763.0600 65151526.5000 518658278.3000 464563930.6000 385562429.8000 294924985 201205772.3000 235880500.3000 227419246.7000 203699390.9000 2648126.2680 2535186.3910 2797757.2960 58058.4204
L-Tyrosine Tyrosine 281592473.6000 371960388.6000 448307208.4000 438885396.7000 238807318.8000 461641130.1000 446502019.9000 384826860.4000 449551203 449723582.9000 398166355.8000 379418807.7000 401597087.7000 145042102.7000 183206700 306254311.2000 266804912.6000 249496257 315768586.7000 323648973.7000 279570549.5000 308349147.9000 303406071.4000 184176264.7000 344013858.4000 351828570.8000 579548714 674430760.9000 705968771.1000 482571136.9000 425543984.1000 310306034.1000 243557930.1000 383435953.1000 817777.7096 509243.1749 588886.4576 458514.6686
Matairesinol 94613.5843 94815.9800 86633.5974 87477.0824 114000.0657 109080.7153 153956.8070 148651.0579 82310.6515 81886.7910 63465.3121 85313.7122 22114645.2300 17986012.8300 150550.0230 105598.4411 60865.4354 56673.7024 71098.3720 70352.5670 194182.4457 154152.7350 376907.9474 366970.6520 122954.0179 128817.1093 672297.7642 714904.8206 295822.2831 394531.0827 944959.0936 985922.6477 1025051.6270 925593.1358 44106.6050 36191.2114 41772.6195 48949.7598
MBP Monobutylphthalate 1832363.8830 1847712.0560 2791895.0670 3328790.4650 1358060.7600 1283379.2300 1630101.1980 1506002.7310 5578795.9610 6120182.6080 1787268.3100 1799693.6850 1961817.2700 1653116.1880 3860662.6400 3981015.3060 2333493.7320 2117725.6140 1842519.1230 1869488.9650 2064170.8170 1963975.1150 3114137.4990 3028432.0340 4607554.0110 4322040.8040 2393391.6690 2287009.6310 4549409.4920 3372752.4470 3969458.6820 3694214.4460 3643378.6840 4002988.1960 74170.5154 138100.4062 199373.5721 172122.9622
mephenesin 1352115.7480 1045318.3950 5305537.5340 5275068.4270 1292003.8120 948081.6586 738354.1939 844662.1249 972538.0898 798787.9014 1221748.6090 1405157.2510 1365197.6050 1434607.7960 2339942.6310 2133070.5920 2507487.6290 1956049.4800 3388717.7370 3019222.2050 8146805.3690 8228155.4340 3805678.3950 3607314.0650 4931323.4240 4547194.7430 13350325.4600 14448262.6800 10302441.1000 7448490.6100 4834167.3390 5302396.0380 5174119.1710 4872554.2960 632833.0547 41723.5613 582050.6538 271629.7122
met-glu Met-Glu 11161230.9400 9578891.3810 161792.6813 337918.4499 10771063.8400 457784.5831 294810.6414 468867.2182 453191.0886 191895.1899 16760437.7400 15660511.5300 5717996.5590 363824.2794 16328993.2300 322333.5880 114692.6105 245460.0841 19971340.8700 13719715.4400 6829041.1520 3029684.7000 159569.5018 232150.5926 171433.2479 178164.8364 107985.5443 108448.0633 108245.4524 300886.8379 13576732.1300 14168199.7000 14624675.5600 13437912.4100 92108.5579 82887.2003 80353.4609 76809.7847
Methionylleucine Met-Leu 1000900.7020 1035564.4140 1370332.2600 1242086.8990 64746.9104 66555.5921 1504561.2810 1422790.9640 2306972.8370 2232981.5160 2917628.4610 2919290.2060 73308.9597 70684.8567 93302.9132 76459.9756 2139224.8240 2025485.9670 3137653.8650 3072396.6220 1712406.4000 1804543.1780 65075.7182 67622.8593 2491012.4260 2545910.3090 1253406.6770 1229255.9270 1244359.6010 1073369.5840 2129650.1940 2406169.4690 2129609.0390 109333.3144 31016.7960 30238.1690 28305.2397 29017.7788
Methyl 3-hydroxyhexanoate 6117186.8740 6189821.8300 5001945.7160 4770297.3390 7127082.3710 5675140.0420 6095432.6520 5941227.5840 7042833.0960 7290570.8360 5656576.2340 4883300.7490 4297648.3370 4348471.5410 5425498.3740 3585708.8680 5638737.3840 5096605.8600 4858238.0430 4462230.7680 8801249.5280 6948569.4630 7395328.7700 6839264.9240 7476532.5110 7379797.2900 7270952.8030 7215822.5250 6144379.7280 5826526.5270 5981401.9960 5682548.0260 5518683.0910 6037359.8810 2044818.8160 2019862.5560 2214207.3390 1902316.1760
Methylmalonic acid Methylmalonic acid 4226514692 4033323917 4404502287 4442221362 3661926875 3566382125 3369065371 3267710220 4842515882 4423746459 3533603317 3474511458 3772277380 3080467381 4264349799 3784864670 3196506875 4652034725 4411930065 4335195345 4434501821 4085867561 3689631761 3282407768 3394761670 3390433985 3699073709 3523195522 3689450158 3130111406 4657228334 4907562754 4719479505 4711881898 21090591.7600 17586015.9700 20029877.9800 137966574.2000
Methylsuccinic acid Methylsuccinic acid 153449203.5000 144553629.3000 187850892.7000 182830370.1000 114537012.3000 94867004.2300 115284372.3000 116519960.9000 83269235.7900 79509321.7300 110825069.6000 114614578.1000 107484392.6000 6906779.1130 86742115.7900 75261111.9200 4779716.8360 2913869.9960 143477300.4000 148952018.2000 282589871.5000 238117826 174082993.2000 3600408.9590 5500672.3310 7845706.4030 5719471.3460 13531189.7900 7574177.7940 18655805.8200 232717381.5000 250865278 240750559.1000 236008759.3000 4502638.6130 70414.6761 93361.4137 5008550.2930
MFCD00059633 2797079.7340 2390074.1620 3685986.6000 3540742.4050 3081822.5830 2545296.7810 3930594.7960 3712059.4260 3413156.5900 2745649.8580 1276363.8340 1360105.8940 1320388.9120 1113676.2330 2576761.5920 2140186.3630 1605060.1600 1387174.8900 1818978.0480 1675284.9820 3325320.2600 3237998.5600 2993089.8920 2812508.2390 4394678.2060 3756987.9180 2910209.1650 2565131.6990 3383663.7380 2550759.6580 3046838.9790 3522986.9610 3109085.4810 3176568.0890 107036.1479 100403.6047 76397.0341 96809.4955
MFCD00137562 6064352.5790 5452474.8540 6030632.1760 6348396.3320 5369401.1920 4593064.7050 6314481.6700 6248030.0280 6733065.2780 6084315.6540 7207873.0910 6396009.5860 4796949.0110 3354487.6750 8893022.5340 7212886.3000 7774421.5770 7038961.9670 6354788.0390 5605156.1600 7763354.9100 7114389.2900 8927965.6560 7839541.9860 12370967.9800 13594215.3000 8120607.5510 7414820.8130 7870223.5740 5890853.2020 7035674.0890 8890727.1690 7988016.6660 7347078.8900 32784.8204 46342.0681 31669.7797 25646.2792
MFCD00672375 23816904.4700 24527012.3900 17222746.1000 22154957.9900 30643700.4400 28989813.1700 19582754.6600 16194200.5200 15796501.1900 12277494.3200 6977122.7220 10088090.7500 19897308.9500 17690745.6600 21332321.4400 26942139.2100 7942725.8350 8180393.8810 13201786.6000 14875459 34899711.7700 32692529.8800 31122672.7600 37280606.7400 23956621.4900 28006905.2600 17285790.4300 20649095.6300 27915551.2100 23655307.8600 14522086.3300 19128238.6600 25193784.1500 8634802.2310 49369.8789 94713.5288 314353.7192 382422.5233
MFCD03548046 9485728.6000 9682050.9550 8064649.9130 8383534.3080 14657110.8400 10920828.1000 5343141.2450 9234881.7300 6730335.3610 8460590.2570 8119026.0440 7801830.3600 16911463.2800 13474390.2000 23526129.1000 16710867.7400 10292988.1900 6677218.0630 8418521.6600 7810643.5180 14197636.4100 15170931.3700 14599938.7300 16129712.2900 11947155.1700 9159013.4500 10094163.6000 13131885.4000 10923231.9200 7541434.4990 11697005.6300 10072747.2900 18785997.9400 7684302.4490 55089.5755 61118.8700 69648.8901 84348.7918
MFCD12546417 961545.7594 969638.6611 677919.3588 651063.1288 1660962.4030 1359970.3660 3215406.8420 2864801.0480 1747042.0050 1705529.1890 493287.5208 568779.2137 543036.0826 293678.4181 264347.1973 210130.3388 256059.1343 228175.1057 1906773.3450 1754738.8290 14253997.5000 13215459.2800 3767375.6030 3038709.4710 4619682.7890 5555875.8310 5608746.2010 5929911.8850 6234068.5260 4717912.2570 3509877.8940 3753068.0920 3759348.1640 3508949.9540 56820.0912 50902.0760 49781.3272 48408.6127
MO7700000 1197878.8040 1267920.3630 3066722.8990 3195376.2350 867108.4967 748645.8990 1756256.1160 1584019.0430 85383.6483 798632.7437 1860096.0400 2095965.0500 1244136.7770 931528.8034 1367288.9510 1331722.2090 2116672.2420 1692763.1610 1346337.7520 1380878.7380 2647695.2270 2563150.9720 2728202.7730 2274137.1800 2146618.9260 2121213.6420 3671846.3770 3540263.8470 2815862.5040 2113741.7590 2088895.5930 2453226.0050 2415267.4440 2127961.3180 36454.2556 779417.9346 781699.3495 27935.5189
Mono(2-ethylhexyl) phthalate (MEHP) Monoethylhexyl phthalic acid 2399693.8510 2208987.7410 2573884.3660 2465772.5020 1511481.0390 1147739.9120 1203324.5150 1072727.9630 965118.8686 872024.4528 1619727.0530 1167327.7330 817075.7492 771223.2987 1195113.1990 1214913.7880 2344872.8790 2092488.4090 843493.0864 856555.2025 1895673.3040 1771890.1200 1629302.4190 1445623.0610 2827346.9300 3099086.7650 16220469.7500 16630378.9200 1742282.8740 1462237.8190 3284776.9440 3523231.5580 3564297.1380 3267941.9750 213901.3292 281752.5443 252467.7399 265306.0113
Monobenzyl phthalate Monobenzyl phthalate 214897.8117 211817.2473 921977.8088 900109.0606 281739.6687 188954.4610 947328.3479 835546.6943 1081630.3240 1057966.1390 378607.8503 411539.5412 373470.1929 287788.6158 632926.9635 529966.3781 363205.4095 387673.8497 540342.0253 586347.7483 50148641.2500 46355982.9800 657069.4572 519390.3190 718235.7000 727879.1319 8058522.1320 7613484.5010 845373.6615 694293.0285 4467804.4620 5053588.0020 5096296.0940 4446138.1630 53508.8675 44955.1213 49341.0522 54318.0498
Monobutyl phthalate Monobutylphthalate 7117931.0550 6366040.1740 14323513.5100 14377881.0900 7712357.8360 6365996.5780 15910814.8100 16095747.3200 14115749.6000 13873749.1100 7931976.3800 6838507.8940 12479566.8400 10387963.2700 17369139.0500 15164646.3700 8814760.6320 8084649.7830 11118116.5400 10562049.9300 154640980.3000 148097051.1000 11324896.4100 10204211.6900 12590408.8400 13030654.2100 151703902.8000 147565526 15084768.2500 11953715.5000 40728260.2200 42935320.6000 42798751.8700 40744429.3100 892713.0994 1495146.0990 1328457.1620 2861649.3510
monomethyl phosphate Methanolphosphate 278510003.7000 298297255.2000 237450039.2000 264017469.7000 228475623.1000 237014915.2000 234513836.2000 238447015.1000 240770508.6000 235119422.8000 261493560.6000 216069493.8000 338615801 285559916.3000 265010793.3000 266545446.4000 217546929.7000 222711741.9000 253617907.2000 265221774.5000 254559870 285574587.5000 239337867.9000 280393244.8000 249980626.9000 259307648.6000 270478994 250097539.6000 282069518.3000 248009797.8000 279991638.6000 291289254.8000 301718046.3000 274444303.4000 5179101.5370 5587509.1910 6610970.7970 7046638.2210
Myristic acid Myristic acid 7554038.8660 5857242.4140 8946792.5900 7651082.4500 8057959.6270 7136072.9880 10309827.0900 8621140.2820 7228061.1660 4392375.9570 3484160.6250 5723074.6050 3886107.0170 4565410.5850 9053536.4290 6674425.2510 4211187.6700 4830048.6280 5741981.7350 5934095.4080 8933794.5870 7970688.3010 7471200.7430 5054591.1590 6895346.5550 6240138.1160 6630301.1990 6076384.4920 7590412.9130 5842979.5840 7729067.9800 11645898.3100 8451017.0930 8793048.6030 252159.2860 262668.9944 257632.5602 255991.9479
Myristoleic acid Myristoleic acid 2148924.8200 1967807.7650 2878023.8010 2842263.5460 1554139.5660 1303688.4970 2070895.9250 1910615.0340 2605011.2910 2356627.9280 2159537.9820 2256327.2510 2384447.5090 1673656.7490 2752016.8470 2251843.4940 1598077.6970 1410658.1430 2526662.2430 2297334.1800 2881447.3810 2454277.5730 3082271.0980 2966953.2140 1435089.3900 1499724.7830 1129309.1190 1109580.8170 3141016.5770 2343842.2800 2383354.5800 3359767.4720 2817342.8130 2542493.1170 12228.6532 17700.8074 13229.9888 13883.6439
Myrmicacin 11408860.7500 11789277.7000 16049207.0800 15710179.5700 10561702.1500 8946981.1240 11429012.0700 11038017.3900 10161943.2700 9983509.2980 6993904.3540 7820607.3370 7688619.0010 6534088.2510 11538668.8900 10389946.2600 6938583.7850 6826820.2880 7945238.0160 8208180.1100 15784700.9700 14754896.3500 13392736.4500 11572692.9700 14103894.8800 14059245.3000 9807500.7080 10380124.9300 14883673.2700 11788572.2500 13665778.0700 13700656.1300 13140534.8600 13850706.4600 636162.4523 514996.3753 578922.5349 744392.7652
N-(1H-Pyrrol-2-ylcarbonyl)glycine 4332564.4980 6289575.8710 5309359.8300 6809552.6770 6858271.3550 4795923.4130 5647300.0530 8480933.6750 4396098.6970 3801290.3080 8862898.4360 8406455.1530 5504478.5220 4018356.4730 4260786.7540 3424523.7420 10124680.2000 9537827.1670 5229064.6370 5868318.1250 3686582.9880 2774558.8000 2944627.3900 3738619.9570 7516795.8810 5042049.0120 4359060.3230 2326682.2030 6166568.1460 14863839.0800 8261736.1970 5562616.3260 6155032.1630 7661809.2930 3112924.7430 2707148.0030 60956.7832 62774.1560
N-(2-Cyanoethyl)-L-glutamine gamma-Glutamyl-beta-aminopropiononitrile 4313880.6730 5126857.4450 5768872.5320 5161107.2090 5054761.1880 5518134.8190 6232442.4220 6440313.7650 4335353.7600 4740212.0880 3363038.9250 3167089.8870 6259548.3340 5957130.0040 8235457.6000 7034882.7260 2101701.2910 2083090.3720 4189522.9870 4127613.8560 4962771.3980 4781378.5690 4958081.2910 4549500.4030 3141570.4780 2664222.4170 4747043.8100 4130711.0460 4794330.4470 3471303.2400 5250090.8970 4999340.1360 5892294.4800 4929729.0170 73076.8859 80906.2631 75533.5443 84049.3773
N-[(2S)-2-Hydroxypropanoyl]-L-tryptophan 293995.4703 287724.1857 285248.6388 296070.6845 594429.6545 549395.8891 486882.9481 471212.6041 323637.4417 382038.9232 766083.5196 837582.8484 311492.4993 234501.0090 672280.0486 583726.8323 479457.6968 456495.9977 439305.6124 364543.1027 862103.1589 756332.5816 1030451.6010 996797.5574 597444.7667 624315.6378 1254730.7750 1199799.0470 3865301.0530 3079545.4110 989051.9808 1081357.3270 949623.6495 1033211.1870 39253.0997 26312.6499 47653.0144 36336.5738
N-[(2S)-2-Hydroxypropanoyl]methionine 43775891.0200 43865067.0300 3013820.3640 30340143.9800 2884918.4790 1913562.4040 1707254.4390 8513882.4560 5021602.9090 4737369.9600 396301.9131 341347.4569 14546164.6300 11436487.1100 5819324.9080 6704769.7730 5427659.6900 2999513.3780 28988380.7000 25908267.5800 31576805.0500 35281818.2000 3540900.9250 3282366.6280 3105143.6540 2762305.8500 3535427.0450 5622100.0440 2062749.0940 1646175.6450 16583335.9100 14112282.4900 15352105.5700 16152130 81992.4089 77096.6216 73775.3012 68754.3718
N-[(3E)-3-Heptenoyl]glycine 346098.5137 325808.7234 456926.8160 543155.3477 1024252.9490 999543.7071 968085.5169 848163.3689 915369.7351 956598.7561 759625.8245 844900.6391 422658.9685 377120.4329 436650.4010 359564.3309 349008.0964 261330.0870 301302.5298 272626.4311 720762.0771 708372.3894 537964.8533 571911.5969 874902.8334 887517.6251 3722599.0540 3803552.9130 1593014.1140 1226663.3400 1115504.6680 1170543.2840 959221.2456 1184200.6500 140872.1419 125834.3240 155839.8200 112716.3175
N-Acetylalanine N-Acetylalanine 5493311.4660 9706217.6850 18791976.8200 20785165.2900 9900106.0080 11335164.7400 6210411.9040 11580753.2500 11732119.2000 11825800.1700 7451917.4430 5109560.0540 10644834.1300 9872571.9430 5587671.5360 4851684.1660 5736772.0450 5189377.1420 9877515.2010 13099064 14040857.7900 11907729.7000 14327402.7400 9919976.2490 13926323.8000 14757909.4900 22040432.9800 21242112.4400 17805079.1200 14787532.3200 17362963.5100 14839184.2500 14936597.2700 16959331.8000 4673627.8230 3894203.7420 112711.1739 3437275.8740
N-Acetyl-L-aspartic acid N-Acetylaspartic acid 7936826.0020 6936808.5680 7949450.7870 6185835.3940 6143874.6140 6557657.2850 7371577.8580 6902463.2370 5942671.6370 5871016.3130 4635494.5180 5470304.2180 3975834.8250 9410523.5610 6564436.5480 9287358.3870 6332042.2820 6896405.2050 5402247.7740 5176483.9770 11875065.9700 20138931.1300 14083787.5400 3212126.9190 20471389.7400 21486971.7300 12558429.0600 8495937.6090 17812662.3100 30347558.8800 11875953.7200 12916746.9100 13074298.8000 11708229.1600 225101.0678 842721.4871 1715946.8480 1322942.1380
N-acetyl-LL-2_6-diaminopimelic acid 16379493.1800 16286860.1400 30268096.4700 30139527.8600 16452126.7900 10422682.7500 13884229.9100 14801235.8200 16690503.4700 17464215.6800 18318842.5800 18508629.1100 29873263.3200 780046.7297 17103935.4100 16477546.4900 724672.7884 817374.2173 19656381.1500 20035252.2400 25641676.6800 18345750.9600 19576371.9100 18939612.2200 19778506.5900 22154804.6300 786190.5907 966535.3813 755982.7772 712626.3835 24833395.7300 25670173.6800 23992218.0700 25375032.8000 64247.0183 57866.1738 51630.5280 46656.1313
N-Acetylneuraminic acid N-Acetylneuraminic acid 3011636.9250 6921418.0080 5805215.2560 6833593.9700 2973565.3440 3703895.2760 6515046.9980 7196537.9490 23039426.8300 3018971.1400 3998888.1510 3317087.3390 6329991.0120 4369038.9760 10272484.3600 7557470.1290 15390304.6000 8881913.2100 3065944.3370 6682226.4210 7016534.4770 5973085.7050 1938214.4130 1794341.6200 6234788.3920 9194861.6120 6946715.0990 5976726.9670 6510984.3540 2202777.2280 7055424.4730 11633825.5300 14324389.8100 7197332.1010 100966.6204 43755.1912 133408.0775 53290.6686
N-Acetylnorvaline 24002326.5000 20933153.6700 5776297.2450 5291147.9040 2050041.4050 1618269.7230 2169338.7830 2049735.3390 1596951.3680 1746910.5710 18480856.3500 9381794.7030 2089819.8620 1238065.6830 2679432.7810 2285308.7050 1816237.6690 1589995.2870 8091779.3800 6421826.5680 4662162.8930 4033377.9680 3823635.2790 3578772.0970 3737635.5270 3718043.0450 3863575.2990 3699759.8430 5931499.6500 4353761.3900 7950322.3410 7436125.6600 7496568.3610 7928019.3380 776540.6673 802282.9595 966275.5778 943904.8596
N-Acetylvanilalanine N-Acetylvanilalanine 3128262.5160 3178755.3020 2979932.4040 3161393.1330 2918484.2600 2605314.6610 2538244.6890 2430388.0340 4042381.8710 3490383.7880 1338552.4780 1361688.9310 1760301.5070 1582033.1150 3086235.5520 2606564.6840 1299848.6190 1148074.2420 2031782.8000 2326702.4040 2555526.9950 2528853.1540 2806754.5490 2286578.5730 2082117.5120 2271044.5430 3877821.4110 3658875.4030 2990802.9580 2238144.0220 3230186.5750 3026186.4470 3016910.5600 3228969.9160 31363.8513 267402.3965 330461.0473 325557.5766
N-Arachidonoyl taurine N-Arachidonoyl taurine 46414543.8800 42223479.0900 44213549.5900 45866880.6500 59218624.1600 40679691.4800 64639158.3800 58717721.5800 46824765.5000 35324806.1700 36155826.7800 34662631.7300 64869293.8200 42373561.5600 58027286.7000 42074243.9100 35424881.4900 23727924.5800 59911077.0800 57533975.0600 36620136.8300 43342164.1800 35445727.9500 37168598.6900 23499710.2500 27975312.4700 35718104.2800 32645175.3100 57420020.8000 34460403.1000 42224642.2300 48524514.6500 49687261.2400 41521341.9900 174299.5604 124974.5773 138744.5954 133219.3029
N-(Carboxycarbonyl)-L-homoserine 28364910.8300 28412751.1500 40949530.6400 42441035.6000 26464011.4200 24201844.9100 36435976.8300 37870709.5300 40787576.7500 46337779.2800 20111119.1800 20817335.0800 19982691.9500 17426994.0700 27536609.9500 23898565.5200 24169613.1400 21216382.0800 20055730.5600 21950527.6900 55113251.8800 38146995.1300 66596854.8900 35606758.3200 31091222.1100 32419294.0500 35779937.3600 35528505.8400 80069854.4500 40835018.5400 33214680.2600 31934848.8300 32239408.9000 33169183.8800 88947.8659 1165109.6240 1217976.6020 1294701.3940
N-feruloylglycine N-Feruloylglycine 15980911.5000 16652920.8500 9392759.2590 8960973.2100 17557435.6500 17053237.9100 16560815.0900 17731175.1400 2523322.8600 2250836.0330 6985513.2940 6951660.4350 5341221.1530 4644659.8630 11688739.9300 10595434.7800 3213143.3200 3173472.6010 6196473.2520 5729721.8320 5471809.1810 4553650.4560 1725763.5260 1585442.5780 2173263.1000 1864189.2210 8632356.8000 8370727.4680 9528911.6560 7039306.2940 9634793.8710 10259932.8300 9546494.4790 9863978.1360 33503.7083 46397.9624 283717.1996 277829.2585
N-Isovalerylglycine Isovalerylglycine 40047879.3500 36881772.1000 81802154.2200 78076237.8800 28379620.9300 24064749.6200 16425244.8100 16192116.9800 20271492.3000 17960736.7800 21491875.1700 22077887.3200 37419487.7400 23887696.8000 77740889.2700 66190117.9000 17033584.0700 14521419.2600 38772225.4400 47814745.8500 29628492.8300 35831993.2600 32833184.3900 26566769.0800 27079514.1200 26176939.6600 27154919.0300 22063644.6200 27386082.1300 22027038.7100 44569059.0600 39801896.7200 43695050.7900 43362555.5300 62590.9021 712377.1878 803168.2640 64404.6468
N-Methylglutamate N-Methyl-glutamic acid 10338516.5900 10629013.0800 19118240.1700 22904531.5000 11818922.3300 12458204.2200 13873012.6400 17078151.4800 20020856.9800 15881039.5700 2426125.6020 4331527.3050 13102233.0900 20581535.3200 9495556.5020 2981408.9220 9059023.8250 17132158.2900 10224402.9700 15668178.5600 23053120.0600 30571880.8200 24849313.1100 30229049.2500 14260235.4800 7692062.5280 37420311.7900 31609354.5700 39828396.1400 28755902.1500 16819286.8900 18735955.1000 16174736.4300 17653209.9200 248192.8902 290868.7106 293463.0259 355248.9228
Nonanoic acid Pelargonic acid 60718338.0100 69404256.9800 55469182.2400 66235391.1800 61974140.7900 61828532.8500 86586276.9200 90905676.7300 59340493.2900 53655688.1500 35553102.0200 40594473.9100 42599805.7500 45362816.0700 43184001.0900 45778842.6400 46187283.6000 48170202.3100 45407212.7500 49994247.9100 73344679.7100 65638886.1600 66708004.0500 61004678.7100 95330162.5700 18341537.6600 53872259.1000 59719109.8600 55590020.1200 47829065.8800 65511632.8900 78515224.7500 65801789.3300 69632316.4300 12843228.4600 14424471.5400 23528685.7300 23625261.6600
NP-008309 5941628.5400 5936194.2740 6408303.0510 6089851.2270 7049353.6350 6171121.1030 5694344.6370 5816701.8200 7933708.6030 7055922.0110 3984466.6630 3846679.0590 2743643.2110 2311088.4080 5585830.3520 4718313.0880 3585674.8020 3092097.6910 5504210.5300 5279538.8800 6330445.6680 6003690.6520 6038228.0020 5295604.8790 4510563.0800 4487485.1650 6764363.0650 6835801.9680 7220592.9920 5300705.5230 5469686.5650 5688558.3650 5291023.1780 5602699.3140 30675.9574 37073.3331 44712.3045 45446.8362
NP-012551 761092.9726 819052.8308 2284060.2160 2457299.4040 1197422.3250 1053850.5310 696642.7047 877178.4319 1057992.7940 981793.5795 3176237.7740 3193641.3450 967298.6474 786496.7521 1129300.3340 920738.3592 2739118.1240 2376983.5780 432675.9231 353339.5134 1889076.0720 2014769.8630 3793210.3620 3275609.3520 6371582.6150 6554460.2350 2248189.4750 2166744.6510 3038903.8380 2411306.5960 2006689.5590 2067164.8750 1983753.2080 2034707.4830 230112.2210 207099.6631 189075.6532 218606.1538
NP-018661 10273333.4200 10494889.8200 11354770.9700 11404541.9800 13642995.6200 12541667.6600 11511370.0700 11510841.7900 12482339.1900 13529150.6700 9352564.4830 10553735.2900 6749128.1690 5813248.8160 8172959.6530 7878803.7220 10049199.1800 9565850.4390 6414969.4850 6568645.7000 16620264.8600 15516703.3300 12606656.4600 12067726.7500 19809446.4000 19445904.5200 15215214.0600 15792840.6800 13075868.3300 11172056.7400 13223831.7800 12393628.2800 13257425.1200 12924288.9600 832214.6532 1154936.3740 1227397.1980 1258885.5280
NP-018716 2802432.4730 2776952.4160 5161096.0930 4562523.8530 563540.6403 490773.4354 435229.2913 433734.1747 2102143.6880 2364211.9860 109567.6856 164007.0038 178455.5260 164245.1941 2949160.3480 2560524.1590 352716.6592 121217.1830 838796.2419 920921.8091 195373.9379 162290.1534 540709.7165 445976.9919 765450.3972 1113678.2750 411399.9500 414938.5254 532506.8081 354260.1927 1240161.5370 1712986.2760 1296599.2670 1384012.7660 213097.9284 263764.4302 228462.0433 28187.7471
NP-021797 2624508.8980 2208339.2790 1976425.1570 2058478.6980 2081220.6090 1866340.0720 4066524.5620 3993065.0030 1762633.5660 1660332.4290 381876.1266 404225.1969 254900.4570 220643.4824 204659.1853 299644.5822 532118.2836 552382.4525 347252.8688 300260.3525 2331124.4920 1798149.4340 2437014.2840 2381282.8690 4464556.1790 4434728.2120 1867621.2970 1997100.1740 1822055.0970 1595912.6710 1529096.5270 1804422.2190 1699420.0770 1567453.5530 208340.3262 231689.3208 197701.1944 245731.5511
NP-022394 5914031.9970 5122719.2500 5312646.7130 4861731.5370 5318813.7630 4749904.1140 5534044.1900 5417369.5580 6646811.5110 5979259.9820 4804491.9830 4586487.8700 4816267.6240 3577480.3080 5519520.1760 4601973.2980 6131684.1890 5151970.0240 4804410.6140 4619944.0680 6121072.9090 5630179.5400 6041874.2920 4644694.0680 4928003.4320 5339291.0960 5000183.2470 4641433.2650 4601777.9920 3843265.9130 5784249.6320 6774253.7860 6355379.4900 5906841.7420 1789217.4770 2267986.9860 1976127.2470 1896146.9020
N-Phenylacetylglutamic acid N-Phenylacetylglutamic acid 1744016.7960 1700040.2620 3428326.7530 3183956.0440 595890.6437 683419.7048 2922479.9070 3207378.5370 1603578.6810 1567386.4260 1739986.8370 1593613.8520 645070.4449 483003.1490 533935.9623 408355.7261 1409321.1650 1344248.2300 2342898.9610 2360149.0040 2040922.2910 1898398.5630 4401359.1950 3902137.0450 1387995.5450 1445100.5740 3185008.3330 3088117.8700 2496154.0450 2054290.9800 2619542.0180 2536988.6840 2495325.6840 2631380.4670 32292.8907 173059.1795 27956.5448 27597.5939
N-Succinyl-L-diaminopimelic acid N-Succinyl-L,L-2,6-diaminopimelate 594042.4910 920248.5399 3411408.0720 811893.9839 1926293.6050 461401.7245 601906.3448 892026.2674 2848484.7720 783736.6657 13635190.8800 10454277.0100 46509610.8300 418538.5961 21607403.7500 512614.8975 481213.5060 349301.6791 10772854.8100 9065880.6550 591082.3320 560863.7085 3090497.3770 442243.8623 554839.2678 1480996.5050 695074.8937 638873.6956 627335.6501 565191.4609 2974724.1510 4025983.6110 3267967.5060 3290848.5360 77890.5923 62632.4730 54908.5715 49964.8931
N-(tert-Butoxycarbonyl)-L-leucine 395904.6658 504469.2443 845426.5685 776572.6657 620658.5036 518781.9789 1140376.0990 1227218.9540 1031983.7140 1016546.7960 329077.2596 361345.9913 821686.9775 672246.0765 890139.0315 829353.2132 524753.6901 397811.0380 1170517.4500 909050.4815 1184213.2660 1114282.5470 993374.3600 790420.0465 748142.3351 690413.2016 2669434.2160 2774735.1090 937955.0523 620826.2590 1239598.4470 1152690.0560 1149457.8880 1254784.9590 103731.4152 87518.2622 146601.7053 125198.1367
N-Tridecanoylglycine 160640.4341 100572.4945 83644.5696 84246.6005 264339.3740 380812.2562 115269.4212 98521.2042 185804.4762 168839.9274 506906.4493 410322.3291 696981.1166 566686.8757 1462280.4500 1168382.3170 774843.9531 445754.5034 1365343.5070 1195470.6900 272016.2465 298154.3873 798219.2290 407868.6198 8037252.1140 8159754.5160 402667.2966 414869.5279 421050.5821 262605.3302 4118485.3210 4279486.6590 3971012.0670 4221395.0020 69192.7857 71759.5120 72481.4924 75314.0930
N-Undecanoylglycine N-Undecanoylglycine 464576930.2000 470239299.2000 380944800 377944585.9000 516908264.5000 491226815.9000 1122160029 1130793374 352463782.1000 332638056.4000 66464417.8800 67217795.0300 128763892.3000 109734250.6000 244907716.4000 224332637.9000 83903675.8700 74729151.5800 163757373.6000 160151875.7000 574150737.9000 564557057.8000 674597283.1000 601223480.2000 844163067.6000 864176262.9000 397739709.1000 375027658 485513940.8000 382856194.3000 461997360 480218175.6000 474138903.4000 463900801.6000 8248667.2210 9514423.6920 9689667.6180 9772477.7690
octenedioic acid Octenedioic acid 2895301.1010 2540179.2220 6547074.6450 6454992.2800 2032131.8490 1602471.5540 3534596.1620 3626061.5140 6921002.5770 6103733.7070 4700651.2780 4959942.3650 2546472.8020 2097129.4260 8412600.6490 4365986.8850 3734806.7710 3342169.3770 2626026.3110 2668260.7790 2647584.4160 2463029.0750 2061891.9030 1878709.0680 2792670.1400 2606211.2120 2871605.2220 2980912.7890 4044817.0230 3175242.6750 4782215.0550 4216851.1080 3340956.3280 4894051.3800 1550860.3040 36337.4637 1397982.2460 1334737.6070
ophthalmic acid Ophthalmic acid 15586562.4800 14273531.2600 39767928.7400 40190090.2500 12906400.6100 14574514.5100 14800475.2700 14890425.6600 13524315.1500 12371445.3100 11149905.8800 9807020.3350 1620735.5070 4201850.8930 21364967.5900 23566571.1800 1684562.0320 1842556.6900 9923565.7250 9947362.6780 15840994.0200 14346617.4000 11798108.7800 13862829.6700 13116938.2500 11995811.1000 15394908.3900 15419629.4800 2669571.6400 4316663.6100 20734313.6700 18230303.4900 18176028.2400 20905874.4400 68009.0271 67834.8125 70973.8170 69629.5435
pentahomomethionine Pentahomomethionine 3950211.3210 3816291.4040 5438806.9690 5687681.0070 162138.0658 153641.3783 160164.1693 156497.5699 131508.4189 167675.3087 189500.4056 196733.9875 233007.1323 192890.0779 9938518.1090 9000526.4890 3558406.6840 274523.3224 174324.4852 274197.6915 2757195.5550 2950703.5470 3966488.8020 3692203.3980 5416954.8550 4710651.4430 2888451.7030 2935969.6570 2260404.2250 1836085.0540 3568400.5600 3830882.3860 3186051.7420 3788861.2560 64465.9120 54046.5411 59848.4062 67024.4688
Phenindione Phenindione 7003367813 7078557946 7309553355 7550797606 7013134813 6113344170 7286676051 7538059125 7589736812 7285029809 7793685708 7783099036 8020876511 6651136186 7682807458 6711550729 8399251375 7598901956 7855648373 7753045721 7088834377 6911251547 7404668098 6482343822 5894047920 5903865653 7102894353 7080590249 7063309147 5825851230 8236452653 8560035891 8854609318 8138999647 1574398.4790 2999066.7460 3603226.5760 3862120.0090
Phenylacetylglycine Phenylacetylglycine 351303618.7000 361765899.7000 546520875.8000 549669375.7000 122656382.6000 112505916.6000 680569474.2000 694302964 246546388.5000 232144420.7000 278013841.2000 276968708.6000 142026580.8000 123946342 119551364.4000 111806539.8000 292646396.2000 262225427.5000 467594579.9000 449649045.8000 257366043.1000 241360427.6000 671915510.3000 623547266.9000 243665832.5000 248038486.6000 574459597.1000 575448266.8000 504529944.5000 414129001.8000 434579858.8000 417785192.7000 417339227.4000 435021267.1000 127923.1042 153613.1407 281885.4401 303127.5844
PHENYLBUTYRIC ACID Phenylbutyric acid 7921937.5360 7939291.1500 8622511.4460 8124811.7560 7674521.3360 7593951.2880 7947688.0230 7642572.4250 8453324.3950 7804529.2740 7252663.5740 7353057.8390 7468087.4410 6216061.7700 20254980.0100 18010512.8400 7548672.8210 7442543.2560 6952258.3410 6618592.2730 7263685.4470 6976109.3380 7445102.4290 6962406.0370 8220710.7940 9000002.0250 7902478.0940 7814719.6400 7613846.5660 5739729.7960 9564835.1920 10544473.8600 10484959.8000 9565460.8550 1493269.7650 1643377.3030 152052.1197 1551750.0970
phe-thr Phe-Thr 5873101.2560 5067852.8690 7442353.3820 6852071.1350 5909662.7090 4633756.4230 6053240.3880 6163868.1610 8855410.4030 9528672.1170 10131452.6500 10523833.5400 9877816.2100 6956847.9830 8346907.3720 8333090.6610 7737615.2790 6534474.4070 11063377.9800 9764772.1260 9292086.6430 8931619.9460 6518707.0470 7432107.9700 8587705.3630 7470671.7170 6944755.2830 6955190.7130 6417488.4700 5540997.6770 9926173.4470 9811454.2560 9333636.9420 10065477.8600 117842.3066 75494.1686 114426.8912 66484.2033
phosphopantothenic acid 13788752.5800 13835543.9800 15633416.7600 18543416.3300 20109148.9500 485176.3748 35954528.8400 30587824.6100 13657638.8800 10402957.1900 9133480.0890 7382617.7840 1159516.8910 9203559.8300 957626.3680 1934090.0900 1105567.7080 1496045.2420 11201955.5200 1049435.8770 7446343.4480 6784421.8320 10835631.9600 9099316.6520 6404378.6310 8951047.4310 823672.8528 1354856.0900 1257150.2000 537661.1979 13277089.9700 14982613.1200 13212047.9600 1207862.4190 133654.9617 154087.0561 162556.1822 209403.2226
Pinolenic acid Pinolenic acid 8100550.9040 6643754.9040 7670667.2930 6611349.5660 8793566.2610 5543549.8190 8670308.1760 8687824.2860 10722496.9900 8408584.5700 6264726.0940 6209981.4180 7338496.3890 5252326.2120 6485141.7010 4419185.4740 4662273.4940 4525644.2030 7900383.5110 8543616.0360 7231081.7450 7699371.3620 12017190.5300 10227371.8300 5119194.0260 5477429.0320 6293575.5100 6208350.2110 6798952.4500 5952749.0810 8630601.0690 10460581.2900 9865782.9530 8730599.7370 14727.9508 14517.9334 14781.3620 14864.7844
Pivagabine Pivagabine 4943200.7450 4715659.3750 5995552.4870 6315875.5010 2069726.1350 1878565.3420 4120382.9810 4857660.1620 252627.7574 260351.8983 5066047.6380 4889007.2190 5838241.2480 3569914.4570 3781398.5850 3611111.9980 7553294.1860 6073684.2370 3978310.3840 3906599.1880 8650945.0470 8377960.7080 9840543.7090 11225203.9100 9762180.6410 9936532.2340 17445977.0700 17033885.5000 10223458.0200 8942710.0560 7787769.3320 8055742.1390 7758693.6770 7882874.5390 355464.0325 48790.1367 352913.9656 391437.0330
Pro-Glu Pro-Glu 506461.6408 5307255.0370 6543965.7120 8043957.7500 472393.0262 5162044.8360 6695497.6190 5106277.9990 8683769.7710 8562434.9070 2173875.6460 2660757.7890 5457372.4980 5906795.4500 1222092.3990 4992828.4610 6249832.6020 6369497.5540 3322832.0400 2500824.9930 7983105.2270 10870307.6300 496434.6783 9754642.0330 8115863.6780 9441999.7030 11180907.7800 11874298.8400 13593215.2800 12186040.9200 8298927.6060 7947531.2590 6886492.9740 8488974.6300 97622.9260 80731.6197 66717.6473 57478.8124
Propylparaben Propylparaben 231455.9160 220442.0630 1933176.7000 2014226.9220 284803.0427 319260.3557 373279.1011 161371.5077 112075.4105 123762.1539 285323.6969 385479.2757 274696.8744 342711.4085 258363.4189 304097.0489 379011.5131 466661.7549 480807.1354 671536.8707 1814497.6920 3355713.0740 443214.5916 276128.3126 10191216.6900 9372130.2750 490510.5566 692575.2457 467948.7560 379451.3438 361649.0514 459386.9376 585198.8885 349309.5061 1762373.8000 5009575.6210 5009340.8150 4472052.5950
Prostaglandin K1 PGK1 414814.5257 491824.8744 733750.2816 787105.4266 673667.7563 548436.5134 813164.6305 743065.4654 1035735.5910 738608.4825 336740.9847 411148.1588 390262.7241 319835.4212 6846044.3000 6046529.2610 915005.9710 728922.8773 603601.9901 498699.0309 6257318.6230 6180896.9040 7469211.1310 6521191.3570 4697561.4100 4576698.4720 9020167.4770 8750873.9890 5797550.6150 4515477.6010 3726520.0410 3967753.9920 3857599.3730 3759126.1920 52697.0808 41183.5385 44971.1615 50741.0487
Pyrophosphoric Acid 70839986.5000 66003860.1000 63154651.2500 60696956.3100 60568244.6400 56961455.2000 60600935.3000 59753735.7900 80174731.3400 81094252.2100 46975319.1600 45935951.6700 79698389.1400 71609713 68023741.3900 63204626.5100 44352442.0700 41653753.4600 49863185.2500 52315940.0800 54087438.3000 48202338.8600 52655072.3400 45975540.5000 45062277.8700 43685548.9900 47577194.2600 46352999.3400 64506730.4400 53980831.2300 57168684.4300 62381297.4900 62331918.4900 57523747.8700 117810.5513 69279.4554 56219.9150 55725.7498
Pyruvic acid Pyruvic acid 287473085.4000 293655895 223367795.8000 252255760.6000 207238664.4000 191997294.3000 206127132.2000 269862146.3000 290353684.6000 287379401.5000 130590824.6000 121628349.4000 220021869.7000 200194609.5000 139786140.5000 149784617.8000 161305352.2000 170844237 184836879.3000 180084018.7000 246011359.9000 226942065.7000 236454808.8000 242181736.5000 203316427.8000 189967041.9000 161212019.3000 156453896.1000 216342969 247240218.5000 141138762.6000 130554714.7000 149092249.8000 134583417.4000 6629339.9650 9347082.7810 9803853.1400 294790.9852
QV1MVO1R 46493112.2800 42318005.7700 22356675.4300 20204933.5900 14023534.7400 10962500.0500 83175323.2700 100146676.7000 11129085.2000 8194662.7630 39036781.0700 39502892.1700 8738478.0810 7557331.0460 14937593.8700 12440327.7600 22212647.5700 18754433.6900 18990883.4800 19337762.1700 19595356.2600 18775308.6500 29314190.1900 28217717.6900 20788196.9500 25117946.2900 53038406.7500 53930222.7700 45214729.8500 37700779.2700 33398141.8900 30012100.1600 34197953.6400 31991690.2300 96650.6699 91484.9222 62893.1663 57898.0460
Resolvin E1 Resolvin E1 972523.8194 1228155.1520 3886475.1920 4301936.1940 247635.4471 221547.6533 1460299.5640 1044262.2240 909014.2537 909644.0551 5201309.7070 5562630.5180 2514209.6680 1947004.2670 1475649.6170 901158.5375 5400009.8880 4949554.2260 5709806.9510 5710815.5040 6447335.3150 5807931.7660 6846328.7410 5805753.9820 6803278.9260 6385403.3220 2860336.2590 2648340.1150 4298248.9840 3290249.2160 3738400.0380 4523977.9300 4220307.9760 3848584.7300 82297.9523 71554.2157 75812.0226 125747.3284
RH0365500 142246.8372 168362.1844 345109.0661 328904.4015 8504145.1520 7383688.3550 7215532.9260 7494461.7140 376028.0266 405292.0283 276278.6188 262812.9542 255475.5719 166037.9012 246529.7968 277778.9758 215409.5493 302535.0279 183021.7193 174672.5729 150624.5056 135519.8745 94095.0854 75722.0826 99278.4311 106316.9950 91113.7046 97348.9264 112472.2415 87661.0571 981420.4138 976952.3985 1042839.9490 960096.8835 42844.7844 31949.5939 34359.2959 37900.1763
Riboflavin Riboflavin 2505090.6690 2178743.1660 3093531.1390 3069961.5130 3179998.2880 3177049.2500 2546016.8740 2459712.0230 2905812.3750 2682567.1220 1662186.7680 1536343.8460 2764143.4930 2055800.1350 1848322.2690 2141815.2580 1944458.2560 1781823.5690 1786299.9050 1789132.8300 2730353.0260 2934548.0860 2674694.7510 2512885.4640 2323053.3720 2359663.3550 2859698.7890 2813459.4650 3294472.6340 2633856.5880 2526066.3660 2625016.1530 2646225.5990 2517331.8740 47428.7680 39782.7186 90119.1776 43855.5828
(+)-Riboflavin Riboflavin 4980159.1580 4792130.1410 7008252.5090 6908790.2540 5428810.8520 4635264.7440 4828078.5040 4723418.9480 4808525.2480 4657553.3140 6060317.6490 6079700.4280 9409206.1110 7058384.5010 7670321.9720 7027145.6390 6193901.3110 5389023.0300 7555514.4560 6933859.1520 4386960.5790 4327362.9440 4843079.6240 4309873.7900 3669985.1510 3569371.2870 5673191.9050 5374902.8650 6151008.7440 4722594.4320 6880122.6150 6635562.1310 6926072.1730 6786323.5630 61915.6782 60533.8144 82087.2778 86818.3955
S-[2-({N-[(2R)-2-Hydroxy-3_3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] ethanethioate 5647541.1700 5202308.3550 4320590.8970 3857990.8080 5132509.3270 4191235.5520 6751318.1670 6896901.0240 5591403.0890 5087571.2750 2394788.7360 2395261.2610 252044.6737 118162.5661 2374214.1320 2134540.1760 1717329.4460 1597172.4260 3309868.4630 3203572.9540 3845837.6050 3336499.5960 3526095.1900 3258374.4220 2521769.6590 2326204.1870 6063481.7220 6021013.3820 334127.1134 354886.3518 5418274.5860 5188942.3690 5250487.6230 5402126.5070 33154.0128 222474.2390 151283.8485 87657.5254
Salicylic acid Salicylic acid 17971838.5200 17412670.1600 9107352.0510 9066823.4610 17142912.4100 15504031.7100 21955026.9000 22016729.6700 16584028.0400 15128024.3900 8822564.2770 9903492.2350 7036309.2040 5594654.9770 7170720.8270 6727075.3590 11255277.5800 10398064.4300 11076156.2000 11720613.5900 95112469.4900 92577789.9800 50504566.9100 45086977.0900 45844609.0300 46949219.2900 85508794.0200 85151986.1900 69515967.6100 54613928.0300 39514690.6200 39998627.4900 40560414.1700 39302729.6100 545846.7890 572760.0840 592127.2162 663039.2133
sedoheptulose 1_7-bisphosphate Sedoheptulose 1,7-bisphosphate 13245669.8600 13992601.6400 9147663.5320 11573681.8100 8572114.7530 9978232.7800 7840123.4690 8043807.9020 16962250.5100 17921761.8000 5519823.6440 5849563.2430 3664217.4720 4117111.4710 6636165.0560 7925247.5970 6518553.5150 7735974.8140 5027015.2440 5254444.0560 7516823.2610 8644561.3930 9129896.5230 10278065.1000 5419949.9320 6004818.5280 10511994.4400 11595532.0700 12888001.1600 14676189.2300 6754640.3080 9609183.6700 9444783.1890 7648149.8230 111135.2385 82643.9653 51129.7872 43627.9819
Spaglumic acid N-Acetyl-Asp-Glu 286011809.6000 259943834.8000 284769313.3000 290703675.2000 324505672.2000 289341110.1000 331243779.7000 291058839.3000 307309070.4000 276233960.4000 326552160.5000 316801303.1000 450709307.3000 344740484.3000 316567354.4000 284829280.6000 123663431.4000 124110802.1000 93179717.6800 291782112 364192136.7000 348032121.6000 348643445.7000 265776746 272149335 271207862 211187869.9000 194466733.7000 231788083.6000 158854067.9000 338775980.9000 336836852.3000 324628056.9000 343128789.7000 171894.5890 245030.5405 159285.5913 160428.5097
Suberic acid Suberic acid 113611662.1000 113161169.2000 159107962.9000 162693488.7000 50446801.7300 46814029.0500 19583514.9500 18493107.0100 39277684.7100 38583293.3500 30468151.8000 35217973.3800 23136046.7100 2719222.1480 129335839.8000 116953346.1000 71738126.0500 64436487.0500 105680623.9000 102941660.7000 240900051.5000 231672656.5000 93592538.6600 77014179.2700 278603574.8000 282078058.9000 248196718.8000 239580904.2000 187154336 146856038.4000 139570805.4000 135025946.3000 138368697.8000 138507091.5000 249687.5150 804492.1351 589299.9125 1120291.7810
Succinyladenosine Succinyladenosine 111619100.9000 112309791 103652611.1000 109869388 102653427.3000 93073075.4500 71373368.9600 71137318.0600 149093738.4000 145351141.6000 81394800.7700 79424018.9100 116257863 93340560.7300 155704111.4000 142632511.2000 88000178.5900 75340229.1900 98265414.9700 96127511.4300 158905383 151981394.2000 90998215.6300 81327490.3500 99799170.5400 94092951.5000 137409636.6000 131872799.5000 141139209.3000 112003036.4000 143447484.2000 142439902.3000 138233257.4000 145007533.5000 37714.5131 37072.8274 34168.7651 35205.3205
Sulfosalicylic Acid Sulfosalicylic acid 9242687.4870 8316323.8660 4441299.7380 4408166.2190 7357446.9030 5514780.4320 11209717.2100 13035319.1800 17016945.2400 14952772.7200 5925717.3950 6689159.3260 4989549.8200 3283013.7010 6043793.6480 4956627.4800 3744653.8970 117700.9441 5304630.6280 5657168.3840 23184554.2200 17869353 10191013.6400 9026570.2790 12424097.8200 11651335.1600 42193361.5100 42139909.4500 14925546.2500 24022019 18135173.7000 18465698.6900 19280277.0400 17881594.5900 71651.9842 63158.4587 69227.4828 58450.0605
Sulfuric acid 126693096.8000 180767623 166012274.4000 332675453 243872624.5000 389832113.8000 166678435.9000 174542853.5000 335270496.4000 304551045.4000 101816028.1000 101560184.5000 191805608.1000 221009348.7000 197117336.8000 452326690 197750698.4000 203353254.6000 206634382.3000 225498138.6000 147622338.4000 557984221.9000 201353823.3000 186517940.4000 81320288.1200 224905900.3000 384035864 444352197.3000 464434444.3000 541844550.9000 267401186.2000 196188615.1000 203383743.5000 293434856.9000 2507010.5790 7499207.6740 11804168.5200 18491954.7100
Taurine Taurine 200241003.2000 245106296.6000 297273251.7000 288585398.1000 244343110.3000 213547804.4000 756279316.7000 368361086.1000 212272902.1000 285453551.6000 170295761.4000 239907540 365740778.3000 393871096 123997659.8000 145565493.3000 31452443.9900 101452626.5000 318366412.7000 300579819.1000 94762830.3300 255627443.2000 140382647.2000 426299139 76956253.1300 183920072.7000 166497976.5000 164811775.6000 201947073.1000 207973163.9000 238625405.9000 343811826.4000 126133896.9000 305726287.1000 212634.1562 239225.9203 249598.1045 344431.9979
Taurochenodeoxycholic acid Taurochenodeoxycholic acid 25945163.2500 24936324.1000 5139019.4550 5383990.6460 24408549.0200 23486897.2600 8749733.6150 7882262.1690 35970744.4900 31924730.2400 17238895.0400 16077509.9800 7189332.7360 5444451.8640 20341748.0600 17018486.5200 26936997.7400 23682391.9400 567115.1656 705299.1307 5458533.6440 5123319.2900 12149864.6500 10472240.7500 6832184.5970 7395367.4240 7620350.5560 7386904.4770 7274315.4380 5499785.6680 17652782.9400 18174270.6900 16787674.8500 18126135.2500 304273.1211 237093.8091 390988.5792 125786.0901
Terephthalic acid Terephthalic acid 131654153.8000 126316503.6000 108401535.9000 112822580.6000 366262174.4000 330987720.6000 2056797472 2166928591 87979922.5700 88002973.3500 100995945.4000 106380888 1742575788 1302271771 3703256422 3150963451 174079664.3000 149758635.1000 2989586132 2824548233 69828552.6100 67118000.7700 84759857.6300 72206479.7000 174487029.6000 174476649.5000 109385846 104941736.9000 100047790.9000 74241234.9000 718124167.8000 712333863.8000 693294083.9000 725121453 8613544.4540 9421206.8640 10990130.3200 8995422.8480
Tetradecanedioic acid Tetradecanedioic acid 11026129.8200 11010368.4100 17013647.9200 18510305.8100 14512268.4900 14218944.4900 12932522.8100 13292162.4700 14543290.7100 15214583.5100 9499458.5240 9060471.6160 13552595.3100 11341247.5800 31004273.8600 28771142.4800 6013934.1980 5083171.8690 14235538.1200 14471245.9700 16243665.4700 16059202.5900 15402867.9500 13031093.8800 12244575.7100 12867716.1100 12397756.9200 2960535.8850 19986354.8900 17010363.2900 16790332.7500 18201179.3700 17932085.7200 16801856.4100 406415.8550 411407.0805 477165.9100 591068.0562
THREONIC ACID_ L- 379620290.8000 378559004.9000 472031238.4000 399612531.6000 268040637.1000 292721208.7000 395464082.5000 385902136.7000 295804839.6000 299880111.3000 340652953.3000 348158767.8000 309041437.5000 353969936.7000 623972478.9000 616558791.1000 453880436.6000 454622146.2000 387988924.9000 355647531.9000 474695856.7000 474867070.6000 499786390.1000 484355675.6000 503662334.7000 498657831.6000 447586188.9000 445751529.6000 1114538576 617968088.7000 375537861.7000 364419239.8000 346213638 380996178.9000 1957860.6260 2352230.7990 2615802.9010 889850.1122
Threonylleucine Thr-Leu 3069672.1380 3175414.8420 5402609.6220 6130011.6510 5919924.1230 2871914.9600 6275368.9820 6340265.7410 6190566.3540 6068330.0340 6532096.7910 6714086.3820 4063126.5910 2952686.6020 4580941.6220 3849694.6920 6280627.6470 3704822.5230 6881086.6990 7262490.4870 5288738.4080 4579425.2510 7086941.5510 5078014.4310 8154677.8580 8652311.0340 4313276.8120 3690418.8430 4960031.9610 3631555.1240 6698186.4610 6283000.7050 5675593.2760 6827444.7710 65379.9774 57702.3921 48403.4220 46191.6896
Thromboxane B2 TXB2 6290514.9920 6618902.2020 2831545.5820 3079476.2240 6674583.9770 8377282.0320 3328913.9410 3224390.0460 3096232.6360 2841751.6740 2047544.5460 1909525.9110 2139258.1630 1921994.1280 7674158.6930 4921577.2790 1148996.1910 1200269.6650 2834779.5070 3561418.2300 1314415.4390 1599194.6460 1948363.5740 1978445.8740 373342.2923 703636.7697 1624317.3230 1420628.7610 1408924.2770 1084823.5220 3166789.0210 4630504.3640 3745467.7590 3443047.5870 112311.7071 105813.1203 84341.4307 96148.6832
thr-tyr Thr-Tyr 3407838.5070 3624520.9270 5883208.1500 6965087.3830 2745072.8460 3500659.7640 4152993.3630 4040654.8660 8577654.8050 7993416.0900 3914870.1130 3940479.8520 3170763.9810 3538110.2220 3014941.8270 3752095.5450 5888881.3770 3511941.1720 5508310.0460 7793310.4620 5304894.9660 4369095.0090 6491216.4250 6558927.0490 7696014.6420 6406559.3440 3578375.1230 4534397.2790 4507820.2550 5753676.8190 6555232.0130 4688636.5590 5869897.0650 6064699.9140 98053.9343 69881.9845 43263.1655 40502.7187
Traumatic Acid Traumatic acid 3690067.3460 5513696.9150 3215786.3450 4199936.7090 2143427.6810 2531198.5630 2503353.7410 3504123.6130 1950308.3440 2213771.7830 3331629.9460 5914599.2970 2318992.5570 2229443.2990 1390137.8190 2026072.0510 3305400.4960 4708900.4360 1879076.5870 2759502.5410 5359477.1440 6344123.2160 6360033.8140 5391645.8620 6269456.8960 7182642.4870 5439096.2630 6486481.3680 7842771.5980 5809548.6050 11308118.2900 10052983.1700 11421393.8300 10816734.8000 1001042.4100 1587579.0420 2102835.2430 2415486.3660
trp-glu Trp-Glu 11161894.7200 11536179.3800 11560788.3800 11598573.8000 10219608.5200 9339465.6130 8884481.5580 9411562.9730 17263952.1700 13976534.5100 16078823.6300 16611723.9400 24408162.1300 20160589.9500 15726771.2200 14772326.4900 11459195.4300 10509558.5300 14156220.8200 13926945.3800 18308507.2300 17047429.7700 18353106.0900 15680607.4700 14290743.7800 14993348.2900 23185459.1600 21009907.2600 20588906.4500 16109898.9700 15457006.3300 16153992.1300 16371456.2800 15317999.1600 27838.7489 28227.3558 28507.7127 31995.5710
tyr-glu Tyr-Glu 8975725.4580 9733832.5770 7996578.2320 7912603.7270 8324584.5050 8022192.3710 7502835.5320 7340437.2610 11147190.2200 11560232.4100 9274018.7610 8503964.4630 18390862.8100 16364450.8600 10184279.3300 8954842.4810 19446408.5300 16896642.8900 10901969.1600 10909235.5100 14426445.3800 15004842.7300 13928391.9500 13398071.3900 12552346.1000 12704711.6100 17337916.3000 21882767.9600 19010051.8500 52712936.7100 12399976.1500 12319860.5300 11695358.7900 12603685.4300 44159.0893 39042.2381 37460.1079 58617.9062
Tyrosylleucine Tyr-Leu 674643.7555 685730.2717 982771.1631 859959.0821 49247.0296 50366.3942 824838.0041 798445.9296 1259097.6050 1224694.2020 2459064.7090 2377636.1710 58283.3258 53614.9018 50027.7074 46884.3626 1824943.6050 1592978.7750 2585126.4350 2553428.0740 1156774.0930 59447.4649 58004.1790 55654.9959 1010479.1340 1036199.2160 1079061.6370 969128.3959 757243.3617 631299.3422 1628270.7240 1542005.2270 1625344.7000 74502.2630 31877.0437 28842.1144 29247.8497 26357.5321
val-glu Val-Glu 78170154.2400 29269726.6500 42357030.4700 49283218.0100 76778410.4600 65797422.7700 37030173.5100 66236775.6000 25525290.2500 15323125.8400 56549595.8000 80128115.0500 74369986.1800 77692501.5800 79894937.3600 41705159.9700 22728736.7200 36759113.0500 62301830.9300 55310767.4200 66286614.7000 26327586.8300 50109137.3200 59702002.5500 12619971.9500 15764199.8600 36366015.8600 56029284.9700 49891897.1500 38352513.9900 91304657.0100 35987666.0700 75157779.6800 77610269.8900 520678.5220 298447.6044 158900.3578 149037.4214
Val-Leu Val-Leu 17208631.8200 16501178.5600 483622.7990 394458.2713 16401995.5400 15019216.1400 559879.2516 502821.5837 273384.9334 749427.0220 272106.3767 1793303.8220 21298385.0700 18129838.7800 19486708.1300 18712867.6400 212452.3587 2091992.7480 665966.7868 794246.8731 20253472.0900 20398326.9500 23279838.8300 20635545.1900 1436699.0860 298471.3177 283743.8201 544081.9192 285201.5237 15890587.3100 522787.4405 811439.3811 26331562.5500 26331562.5500 64012.3867 44956.8432 39972.5598 32741.6234
val-phe Val-Phe 3568366.6160 3656992.0010 4630979.5590 4695216.6250 4709438.0760 4224067.9100 4077337.2530 4040037.9790 6249822.2280 6471141.4530 8820024.1010 8561603.6940 5505204.3830 4614349.3570 6308296.8300 5753097.2030 7164185.9410 6218770.7370 9672809.6590 9001343.8630 5909054.0610 5531531.2070 5873648.4930 5443680.8730 5817724.9250 6044189.1220 5049957.6380 4793093.7710 5263119.7090 4133819.2870 7190201.1150 7221187.7100 7061717.4240 7243122.6650 88372.6443 30754.0595 29720.9923 113317.5712
Vitamin C Vitamin C 10862575.6900 10335775.3200 41134307.3000 39089825.1100 10918632.8200 11974228.3200 32418852.0500 32538700.0100 7874059.0980 8345813.3960 26157355.2500 29319007.8300 4761747.8600 5877848.4160 28969454.6800 35323719.4200 1317767.8640 1495027.4690 15059844.8300 14911442.9200 43089495.6300 51891539.2200 51343107.7300 51893884.6400 35639030.5800 34939850.8800 56788605.2100 61487736.7900 100155266.3000 97194268.7600 33469194.9400 29928996.2000 29815626.7500 33737730.3800 1193428.7240 1357776.6550 1293866.3200 1385257.2190
Xylenesulfonate 45556155.6100 42510147.0300 129300444.3000 124717906.4000 21832003.8300 20238305.8300 163042654.8000 158696845.8000 607488643.6000 566015249.6000 21964155.8500 22643419.9500 50765347.7100 43190075.6600 35047441.5300 32041068.7500 40706688.6200 36074466.3600 101941150.4000 97374809.8400 54788670.8900 51922461.4200 117435962 102518685.9000 46547032.3100 46897969.2100 731438720.8000 703963301.1000 40086762.0200 29635574.2100 226944317.9000 226582859.3000 234410193.8000 224200518.5000 167933.3334 210754.5012 172215.2459 184166.4775
Xylitol Xylitol 15648002.0600 14767513.1900 17649339.4500 15822397.9400 17084344.1800 16691235.4500 16846578.3000 16219646.4500 16496642.7000 16449506.0200 8276529.0960 8568545.1580 10992212.7800 15158021.9800 22746822.6100 29615206.1000 7507866.4410 8579761.0650 11017948.8300 11462857.6600 12871956.4600 11795071.6200 12435821.6600 13789348.0200 11894666.5000 10483459.0900 15158923.4600 13110783.3900 15201425.6600 13337900.9400 15310241.1500 17826861.9500 16776226.9500 15481995.0900 574607.5588 605210.3729 657856.1088 118083.9046