Metabolite_name RefMet_name L-KO-1_POS L-KO-2_POS L-KO-3_POS L-KO-4_POS L-KO-5_POS PLC-KO-1_POS PLC-KO-2_POS PLC-KO-3_POS PLC-KO-4_POS PLC-KO-5_POS L-WT-1_POS L-WT-2_POS L-WT-3_POS L-WT-4_POS L-WT-5_POS PLC-WT-1_POS PLC-WT-2_POS PLC-WT-3_POS PLC-WT-4_POS PLC-WT-5_POS Factors - Genotype:circLARP2-deficient Genotype:circLARP2-deficient Genotype:circLARP2-deficient Genotype:circLARP2-deficient Genotype:circLARP2-deficient Genotype:circLARP2-deficient Genotype:circLARP2-deficient Genotype:circLARP2-deficient Genotype:circLARP2-deficient Genotype:circLARP2-deficient Genotype:Wild-type Genotype:Wild-type Genotype:Wild-type Genotype:Wild-type Genotype:Wild-type Genotype:Wild-type Genotype:Wild-type Genotype:Wild-type Genotype:Wild-type Genotype:Wild-type 10-deacetylbaccatin iii 553.4749 1032.6729 4947.6290 146.1376 427.3049 4610.6732 10920.5511 850.2560 1151.1101 1027.7600 10-formyl-7_8-dihydrofolic acid 29977.3936 34837.7284 36424.0517 26171.3432 29642.5703 38386.7052 36084.6872 47074.1120 44518.0418 53393.0027 1-[1-(1-methylcyclooctyl)-4-piperidinyl]-2-[(3r)-3-piperidinyl]-1h-benzimidazole 4466.7093 5975.1148 4385.7311 3832.5376 4958.2347 4943.1674 5753.2739 5684.9495 8704.2854 5721.3278 1-(1z-hexadecenyl)-sn-glycero-3-phosphocholine LPC P-16:0 or LPC O-16:1 415642.5943 580467.6789 543519.3827 316839.0572 469983.2388 492508.9654 487761.6000 559541.1816 656092.4374 625385.2268 1-(1z-octadecenyl)-2-(4z_7z_10z_13z_16z_19z-docosahexaenoyl)-sn-glycero-3-phosphocholine PC O-18:1/22:6 29515.6995 57376.6740 46800.5015 28552.9467 137325.6026 25640.0413 85025.7866 40829.1445 128888.9419 60658.1298 1-(1z-octadecenyl)-2-(5z_8z_11z_14z-eicosatetraenoyl)-sn-glycero-3-phosphocholine PC O-18:1/20:4 23504.2196 51424.2469 36166.3891 17035.0818 125213.0842 24750.2992 102381.0366 35181.5699 168888.4391 75069.2286 1-(1z-octadecenyl)-sn-glycero-3-phosphocholine LPC P-18:0 or LPC O-18:1 50284.1387 92640.0820 58490.0081 27202.6266 52870.9539 65599.0698 44739.7593 87929.6067 132341.8914 186145.4722 1_2_3-Benzenetriol 1,2,3-Trihydroxybenzene 16643.0297 28782.7311 22626.8525 18177.1495 20108.7295 29918.8828 37322.1007 13430.8578 27134.7970 40660.6608 1_2-bis(heptanoylthio) glycerophosphocholine 12367.2710 16306.7169 9535.3155 24956.1591 17719.2034 10324.2611 6837.0102 10105.2510 10673.2087 11321.7318 1_2-diamino-2-methylpropane 289054.5483 283592.2698 318297.4814 263315.6498 326830.1250 215532.5898 257218.9798 295900.0681 277458.0147 289555.6736 1_2-dilinoleoylglycerol 136007.8009 278989.4077 203135.5865 113921.8064 255470.7808 142003.0164 210086.6477 156693.1789 316701.7211 179842.1632 1_2-dimyristoyl-sn-glycero-3-phosphate 3785.0652 1505.6305 2107.7101 2203.1665 1971.5240 2135.8175 13028.9215 3450.7916 2151.6071 1946.9209 1_2-dioleoyl-sn-glycero-3-phosphatidylcholine PC 18:1/18:1 627428.0314 1330453.2130 803443.7190 514004.2370 2324906.0790 656695.1346 2174348.4970 1119435.4230 3339655.9620 1927544.1600 1_2-dioleoyl-sn-glycero-3-phospho-(1^-myo-inositol) 2525.0020 4925.3749 3292.8282 2199.8819 5234.1882 4013.5135 6145.5572 4057.4122 8033.8231 4530.2414 1_2-dioleoyl-sn-glycerol 267748.0393 589264.0159 438284.6367 218642.9728 597087.1205 485909.3428 757719.7840 495294.0134 884272.7217 589670.9037 1_2-dipalmitoleoyl-sn-glycero-3-phosphocholine PC 16:1/16:1 118240.4522 202309.7495 137891.1015 93518.2380 265691.8262 66694.4372 145727.4471 93521.2544 250934.5537 133907.7041 1_2-dipentadecanoyl-sn-glycero-3-phosphocholine 23504.6001 69336.4878 45017.8076 17598.7560 60359.6495 27929.6035 82729.6254 50446.4081 141674.5265 31127.0239 1_2-ditetradecanoyl-sn-glycero-3-phosphocholine PC 14:0/14:0 11353.4240 14353.6980 10801.3916 9814.5667 12408.0228 11058.0320 13731.6596 11475.8922 20555.9307 11847.8198 1_2-dithiolane-3-pentanamide_ n_n^-1_3-propanediylbis- 54523.5864 58132.9382 57932.2569 58256.5381 57826.0803 57704.9587 50699.2086 58617.1845 61581.7599 66058.4902 1-(2-pyridinyl)-4-piperidinylamine 16305.3682 16371.5852 18142.2958 16375.7592 13509.7166 15951.9464 14198.5028 17620.2556 3127.6819 17482.6343 1_3_4_6-tetra-o-acetyl-.beta.-d-mannopyranose 96164.4445 103888.2358 111447.4322 89614.6407 115224.0497 75231.2025 76852.7908 94382.1853 101242.0965 107817.2038 1-(3-chlorophenyl)piperazine 10573.3526 5461.2446 14282.0568 6576.1858 14911.9467 5152.0507 4411.9814 1920.4512 4962.9200 10162.2857 1_3-diphenylguanidine 7477.6569 8843.8735 25138.7468 9914.8649 3540.5534 25661.9887 6465.8471 6574.1614 260526.3738 7620.6796 1_3-propanediol_ 2-amino-2-[2-[4-[[6-[(7-nitro-2_1_3-benzoxadiazol-4-yl)amino]hexyl]oxy]phenyl]ethyl]- 2814.0393 4442.1964 3691.6418 3238.7733 3245.0391 2301.7709 6452.9091 3699.3272 6487.6236 3147.8114 1-[(4-chlorophenyl)methyl]-3-[(1_1-dimethylethyl)thio]-.alpha._.alpha.- dimethyl-5-(1-methylethyl)-1h-indole-2-propanoic acid 8498.1474 8688.6635 10833.7552 4939.2784 8637.2477 9999.2392 13934.9689 13604.6063 16510.6639 16761.3978 1-(4-piperidinyl)-1_3-dihydro-2h-indol-2-one 37347.8656 38887.0701 29265.3686 36299.0217 41467.2332 64111.4865 64754.8607 74300.6020 69582.2084 78331.8638 15-deoxy-goyazensolide 93949.8568 31835.5301 62229.3859 101902.9965 55050.1263 48109.6526 145602.3775 46047.3358 123025.2295 47972.7844 15(s)-15-methylprostaglandin e1 24931.5713 25706.9944 24181.9395 23469.6644 24281.9687 17675.3098 16830.3134 20760.1676 13056.5558 20705.1764 15(s)-15-methylprostaglandin f2.alpha. ethylamide 6867.3187 10590.3902 8068.4602 8617.1347 7371.0220 7477.0813 5910.8525 10129.3176 8232.0784 5954.5393 16-oxocafestol 2635.6049 4143.3472 3758.7011 2031.5259 2371.9891 1934.0111 5663.9377 4037.4955 3240.1784 2703.0161 17alpha-ethynylestradiol 10434.6880 31897.2071 24258.3574 10599.0947 8991.3270 6980.6803 9687.1689 30786.2155 7112.1390 5949.0298 17-trifluoromethylphenyltrinorprostaglandin f2.alpha. isopropyl ester 24633.2732 26548.2662 12665.9205 26555.8876 19797.4398 28109.8610 22625.4016 21955.0611 17213.3885 12643.5860 17-trifluoromethylphenyltrinorprostaglandin f2.alpha. methyl ester 14782.6003 16105.2869 21264.5587 19054.2051 26186.0365 17694.7761 16848.5047 22026.8221 23824.8796 17657.4948 19-noretiocholanolone glucuronide 7205.2594 5563.8258 5550.6197 4489.7240 6916.1444 5669.3668 9038.4111 7310.2012 6947.8740 6537.1845 1-Aminocyclopropanecarboxylic acid 1-Aminocyclopropanecarboxylic acid 830279.2074 843114.3282 916311.3608 837883.8497 857294.1418 774523.7989 999137.7686 1002884.4840 1063970.3010 1002130.0990 1-decanoyl-2-hydroxy-sn-glycero-3-phosphocholine 8272.4742 14996.7457 12033.7371 5764.4415 6725.1312 19071.2490 10749.1957 13454.4496 11105.5926 7568.6877 1-Eicosatrienoyl-sn-glycero-3-phosphoethanolamine LPE 20:3 1781.1712 5032.9633 1641.7043 1405.5427 7483.3324 2495.0229 7624.6424 1217.0045 8418.9625 1660.3086 1-ethyl-4-(4-piperidinyl)piperazine 6770.3517 9104.8751 10990.9351 8881.8664 7033.9103 6206.8566 7239.5544 10818.9840 5584.7635 12293.8237 1-heptadecanoyl-sn-glycero-3-phosphocholine LPC 17:0/0:0 6262.3820 12034.6370 14424.4838 5528.3827 8226.5279 10739.8964 8982.9250 10260.8793 15334.1596 15835.6103 1-hexadecanoyl-2-octadecadienoyl-sn-glycero-3-phosphocholine PC 16:0/18:2 687130.9219 1306336.6930 862178.8940 540985.4719 1988041.6510 500376.2409 1393720.4760 760279.8008 2140308.6630 1165612.6810 1-hexadecanoyl-2-sn-glycero-3-phosphate 1876.4352 1610.1915 2060.6318 1933.6064 2132.4373 2927.1479 3291.5705 3388.2941 3240.3478 4507.8278 1-hexadecyl-2-(5z_8z_11z_14z-eicosatetraenoyl)-sn-glycero-3-phosphocholine PC O-16:0/20:3 64445.3541 109111.8413 83606.4976 66637.1454 212673.3883 46690.3631 117213.5255 61004.9612 170045.4548 91122.5508 1-hexadecyl-2-(8z_11z_14z-eicosatrienoyl)-sn-glycero-3-phosphocholine PC O-16:0/20:5 26500.4084 59011.0893 44564.2639 19676.3156 126443.0220 25571.2707 95057.0280 40390.4100 159310.9584 74703.2629 1-hexadecyl-2-(9z-octadecenoyl)-sn-glycero-3-phosphocholine PC O-16:0/18:1 164661.8187 343207.2114 213618.9996 166156.7392 473230.8873 139622.1463 392925.5943 190071.9536 642962.1450 322143.2468 1-hexadecyl-2-azelaoyl-sn-glycero-3-phosphocholine 4144.2745 4832.0608 3591.1372 2244.2672 3213.9038 2292.1916 3886.6330 5402.7149 9086.1029 5339.9761 1-hexadecylamine 1-Hexadecylamine 79062.9286 44696.3214 69985.1135 47796.0343 93710.0898 51456.7643 51625.8956 75251.9097 42125.5807 54793.4903 1-hexadecyl-sn-glycero-3-phosphocholine LPC O-16:0 81914.1994 223507.8507 91170.5248 12315.3557 133253.0294 161956.8316 111581.0871 121748.0345 155441.0197 466805.0111 1h-indazole-4-carboxamide_ n-[(1_2-dihydro-6-methyl-2-oxo-4-propyl-3-pyridinyl)methyl]-1-(1-methylethyl)-6-[2-(4-methyl-1-piperazinyl)-4-pyridinyl]- 6668.7895 14720.3798 8960.9104 6755.1600 5481.3173 7597.6717 6063.8726 6301.5865 6300.6460 4961.0564 1h-indazole-4-carboxamide_ n- [(1_2-dihydro-6-methyl-2-oxo-4-propyl-3-pyridinyl)methyl]- 1-(1-methylethyl)-6-[6-[4-(1-methylethyl)-1-piperazinyl]-3- pyridinyl]- 1677.1957 1548.1102 1945.1626 2334.7376 1969.4303 3751.7062 10407.7184 5810.4614 3003.1203 1728.5148 1h-indole-1-pentanoic acid_ 3-[2-(2-chlorophenyl)acetyl]- 4622.3520 5568.0082 5176.7675 6230.3980 7296.0419 6490.6416 6156.1662 4375.9966 4336.7094 5550.2332 1h-indole-5-sulfonamide_ n-(3-chlorophenyl)-3-[[3_5-dimethyl-4-[(4-methyl-1-piperazinyl)carbonyl]-1h-pyrrol-2-yl]methylene]-2_3-dihydro-n-methyl-2-oxo-_ (3z)- 889413.5322 842422.6460 832915.4334 839981.5610 969288.5209 423617.8693 423203.0903 559537.6591 534092.8877 511543.3651 1-methyladenosine 1-Methyladenosine 65464.8459 55953.8472 35175.4029 83712.8238 83862.1468 10479.8780 33740.8049 56146.6333 57903.4139 58311.6879 1-methylhistidine 1-Methylhistidine 1132865.7240 1267871.0420 1048293.1450 1074594.4390 1124933.7930 1494599.5780 1473955.9240 1680900.6030 1640895.6620 1663039.3680 1-methyl-l-histidine 1-Methylhistidine 613576.6418 698438.1566 735317.8420 279300.6815 310069.6699 828760.1876 353047.6216 1031549.7840 1061063.1680 1138308.7250 1-myristoyl-sn-glycero-3-phosphocholine LPC 14:0/0:0 351518.6878 473925.6890 408320.4214 308877.9948 393818.4819 375298.8109 208985.1529 284226.3782 291975.0086 473701.7739 1-octadecyl-2-acetyl-sn-glycero-3-phosphocholine 1522801.1810 2065399.4440 1910196.2890 2000736.8940 1892469.0080 2653893.1350 1818067.4530 1475177.6320 1757700.6110 1449930.4030 1-o-hexadecyl-2-deoxy-2-thio-s-acetyl-sn-glyceryl-3-phosphorylcholine 120087644.7000 124475393.4000 128563753.5000 116548080.1000 137073652.9000 97434380.7700 116466368.5000 126461998.7000 132160943.2000 172973241.6000 1-o-hexadecyl-2-o-(2e-butenoyl)-sn-glyceryl-3-phosphocholine 80794.1450 115696.9157 114399.4475 72232.2498 92133.1570 108856.3857 119843.4923 126230.2626 183418.9429 138095.7765 1-oleoyl-2-myristoyl-sn-glycero-3-phosphocholine 2315914.4710 4375173.2800 3960864.4280 2106307.3130 5687104.1090 1838056.3730 3942184.2490 3606367.7980 6697407.2260 3546841.7460 1-oleoyl-sn-glycero-3-phosphocholine LPC 18:1/0:0 6678376.7540 9277625.6870 7517854.8800 5591147.3130 6240988.6220 8053942.8550 5151564.2720 5448813.6370 6794489.3720 7201785.4490 1-oleoyl-sn-glycero-3-phosphoethanolamine LPE 18:1/0:0 153527.7471 226379.1127 182496.7644 113801.0255 184166.6141 123498.3340 128249.7180 124224.8679 205016.7065 177567.3392 1-o-octadecyl-sn-glyceryl-3-phosphorylcholine LPC O-18:0 19389.3595 23443.8238 22797.0057 7939.7722 20820.4997 23320.5286 16052.8201 17185.6297 26866.6937 51159.3944 1-palmitoyl-2-arachidonoyl-sn-glycero-3-phosphoserine 3306.9036 7676.4490 4797.7869 2673.1460 8059.3939 6479.6169 9817.3982 4930.7093 14579.5482 6642.1688 1-palmitoyl-2-azelaoylphosphatidylcholine 30452.1332 76181.0253 34266.1232 20472.8656 46285.2881 15869.0732 35071.3061 51704.4956 86057.5117 50361.4024 1-palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine PC 16:0/22:6 163070.8529 462803.9206 219524.4627 143918.7842 534593.9486 106672.4490 268247.0274 150015.5001 414023.9952 226597.3228 1-palmitoyl-2-glutaryl phosphatidylcholine 1816.1951 5464.4021 3121.3999 307.0172 626.1140 3713.2595 2774.4817 3095.9449 7004.5097 3906.1537 1-palmitoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine LPE 16:0/0:0 52592.6936 79183.1481 64512.5100 42748.4158 64075.1223 41542.5261 40306.3001 44165.5217 65601.3547 54631.4070 1-palmitoyl-2-lauroyl-sn-glycero-3-phosphorylcholine 73153.0908 150161.7352 88200.9506 60768.1390 151414.3319 66521.4876 133442.6753 96138.5385 264125.7641 120167.9066 1-palmitoyl-2-myristoyl-sn-glycero-3-phosphocholine 101179.7680 213987.7656 125246.5698 71209.9552 270751.2404 94816.0991 258522.4878 144235.7943 449490.3067 193756.2083 1-palmitoyl-2-oleoyl-3-linoleoyl-rac-glycerol TG 16:0_18:1_18:2 119573.1010 249764.8796 180413.0898 97517.5379 239348.7486 177658.6876 263751.5029 187531.9299 371745.7791 226141.6002 1-palmitoyl-2-oleoyl-sn-glycerol 31235.6817 54049.9996 48467.8901 25617.5584 48436.4434 30811.2677 72100.1261 36369.3132 74037.3239 49352.4257 1-palmitoyl-2-stearoyl-sn-glycero-3-phosphocholine PC 16:0/18:0 140612.3037 271101.1078 190309.0259 103105.3004 467363.8721 125113.3130 354768.6846 191734.2288 556873.1281 309111.7816 1-Palmitoylglycerol MG 16:0/0:0/0:0 9733.6413 14462.3804 16790.8326 1561.1640 2811.5895 12573.0017 12277.8192 8120.6004 13071.0163 8726.2239 1-Palmitoyllysophosphatidylcholine LPC 16:0 18847.4541 20493.5739 18160.1848 17288.6450 20054.3675 18713.3147 18354.1224 18319.7347 27775.6437 20933.0614 1-palmitoyl-sn-glycero-3-phosphocholine LPA 16:0/0:0 5333937.0880 6462279.1830 5758163.1830 4485754.6970 5728777.9280 4828133.7300 3175840.4660 4145567.0520 4729685.3280 6294601.5580 1-pentadecanoyl-sn-glycero-3-phosphocholine 117540.8513 161114.8724 126392.2273 102248.7945 96539.1912 87930.2211 68356.7743 75524.9811 116985.8287 47541.1582 1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-(1^-myo-inositol) PI 18:0/20:4 7221.8647 16588.2330 11425.6575 6087.6354 17760.2569 9699.1038 17070.9375 10726.0066 23849.1058 13136.5670 1-stearoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine PC 18:0/22:6 21725.1440 44037.6526 31594.7387 16170.3465 94771.4467 18214.1479 64749.9520 18414.6970 95655.7790 47001.2369 1-stearoyl-2-docosahexaenoyl-sn-glycerol 55100.1269 165343.6711 98017.3220 47872.3508 178786.6325 92855.5421 166731.6330 96403.5216 231959.6903 128588.4342 1-stearoyl-2-hydroxy-sn-glycero-3-phosphocholine LPC 18:0/0:0 596339.9543 743481.4394 574478.1686 700987.9278 738506.8626 489829.0064 474330.4280 386555.8326 574142.8729 478129.5917 1-stearoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine PE 18:0/18:1 3552.1343 10735.4004 8792.9964 6873.4768 19520.4600 7803.8023 13903.2606 5078.7450 8608.8028 8964.4503 1-Stearoyl-2-oleoyl-sn-glycerol 3-phosphocholine (SOPC) PC 18:0_18:1 37309.1149 60189.6195 46864.9964 30321.8414 128669.6825 22848.4254 68065.1237 38821.7922 107816.3698 49844.5014 1-stearoyl-rac-glycerol MG 18:0 2919113.3150 2927992.4230 2878736.7630 2085542.6040 3284613.7660 2889026.4750 2799956.3020 3030103.3110 2279469.4940 3081206.5290 1-Stearoyl-sn-glycerol 3-phosphocholine LPC 18:0 134500.2371 135867.7849 111829.2987 119888.2906 139835.7438 157386.8754 55231.0708 85505.5827 99660.6441 99338.1227 21-deacetoxy-11-oxodeflazacort-3_20-hydrazinecarboxamide 42789.3114 41015.2942 43009.3484 37533.7618 46462.9555 43011.1139 38247.0705 50001.2718 47190.0272 54707.4277 2(1H)-Pyridinone 2-Hydroxypyridine 25584.3982 56325.6537 38890.7193 84684.7401 51273.6090 46405.8316 59872.9955 60175.6713 28809.6242 43701.1466 2_2_6_6-tetramethyl-4 piperidone 34426.4662 51131.3931 72716.7137 40562.8408 33849.4438 36936.0516 81603.9964 38070.6421 23331.5893 35844.4764 2_2-bis[hydroxymethyl]-2_2^_2^^-nitrilotriethanol 4293.2906 4620.6290 3908.4743 261421.9919 336894.0946 3933.7979 4899.0401 5198.2169 4414.4393 3742.7925 2_3_9_10_11_12-hexahydro-10s-hydroxy-9-methyl-1-oxo-9r_12s-epoxy-1h-diindolo[1_2_3-fg:3^_2^_1^-kl]pyrrolo[3_4-i][1_6]benzodiazocine-10-carboxylic acid_ hexyl ester 4647.9937 4552.2621 4497.7240 3189.2688 4678.3927 3594.6917 5563.2920 8680.6387 7283.6339 9421.3212 2^_3^-dideoxyadenosine 71032.8574 74659.7251 85524.3251 56586.3817 65855.6041 90236.8228 77762.2408 79456.7203 77000.9857 81526.0527 2_3-dinor-8-isoprostaglandin-f2.alpha. 2,3-Dinor-8-iso-PGF2alpha 124436.8913 134532.7869 129933.9574 76514.9539 164432.6570 138926.0270 156440.5298 71974.0445 134788.1732 110301.8607 2_4_6-tri-tert-butylaniline 4313098.3650 3259213.0980 4307126.4870 2761323.8200 3564774.6580 6640945.0610 4726021.6660 3738301.4770 2852853.4820 3333408.1750 2^_4^-Dihydroxyacetophenone 2',4'-Dihydroxyacetophenone 2535.8951 11260.7249 12486.6714 89.1252 499.2180 5519.6475 7515.7664 9248.2138 9239.7406 10441.9192 2_4-thiazolidinedione_ 3-(2-aminoethyl)-5-[(4-ethoxyphenyl)methylene]- 26765.6781 27868.2359 30463.5055 28665.3164 34526.2260 29977.9395 25799.7515 27700.5949 29600.0757 26254.0579 2-(5-oxovaleryl)phosphatidylcholine 7776.6879 10872.3834 11546.4956 7942.5872 11104.8298 10239.0660 13245.4729 9881.4388 18401.6692 16382.3346 2_6-di-tert-butyl-4-hydroxymethylphenol 3909737.9270 3942408.0690 2961552.6410 2404794.9090 2936573.6510 3525085.7250 3867692.9010 3995858.7120 2701990.5780 3623116.8520 2-[[7-hydroxy-1-(4-hydroxy-3_5-dimethoxyphenyl)-3-(hydroxymethyl)-6_8-dimethoxy-1_2_3_4-tetrahydronaphthalen-2-yl]methoxy]oxane-3_4_5-triol 36355.9040 36546.2373 41777.0196 27166.4483 31170.5583 28084.5083 30216.0321 36295.9046 38597.2677 43130.7947 2-acetamido-2-deoxy-3-o-(.beta.-d-galactopyranosyl)-d-glucopyranose 3836.8543 4219.4148 4631.7427 5425.5036 2820.2338 7798.2378 3581.9896 5073.5063 2852.8525 3742.1419 2-alahhda [dmed-fahfa] 11278.0812 25701.3055 19154.7720 10306.3205 24910.2511 23568.9004 36263.3240 23233.6286 35778.7442 27546.3544 2-amino-1-phenylethanol 2-Hydroxyphenethylamine 1016051.2810 2173975.4560 4895274.6110 347754.3377 487433.4974 8313630.9720 8167495.3420 3764536.1770 4198237.4000 3877440.8720 2-Amino-2-methyl-1_3-propanediol 38153.5763 48055.7274 54532.9752 43974.3169 53211.8830 70125.5921 60606.1287 58999.7329 50613.2377 71697.6251 2-arachidonoylglycerol MG 20:4 9170.2782 14194.5670 11623.0663 8278.8092 19250.9363 9275.0423 17163.7588 7479.1700 27142.2880 15030.6226 2-benzothiazolsulfonic acid 1396.9746 1510.1713 1263.9959 1549.2811 1621.9793 1847.9658 2003.5257 1838.7579 523.1507 1880.0993 2-butenamide_ n-[4-[(3-chloro-4-fluorophenyl)amino]-7-[[(3s)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)- 22622.7509 22443.6129 26166.2634 13232.7215 23236.3953 21445.7054 27023.2268 30639.6693 33511.2526 33359.4400 2-butylaniline 6180.7521 2985.2153 2086.3155 3517.9822 4800.2583 1893.5284 7674 2157.3806 12331.0332 13736.7975 2-dhahma [dmed-fahfa] 380299.2678 873548.7384 570114.7187 328400.2610 951652.3060 407284.8627 653768.8938 495548.0068 1234520.2250 613082.1838 2-docosahexaenoyl-1-stearoyl-sn-glycero-3-phosphoserine 15469.0123 41723.8968 24811.0443 12230.9804 47768.1771 27144.7790 52441.4083 27017.9585 75215.5977 35675.1542 (2e_4e)-hexa-2_4-dienoic acid Sorbic acid 5880.9668 569.0348 2411.3829 1281.5419 1577.8029 2659.0853 2107.6235 2558.8640 2826.8665 2140.9031 2-epahpa [dmed-fahfa] 13342.3648 26901.7968 26103.1889 11357.3448 34344.6836 67669.0387 37181.9530 22790.4940 43080.2814 27448.2263 2-epahpda [dmed-fahfa] 23859.0238 47608.3205 35565.3271 20401.6965 51758.3895 29187.7071 43717.0627 29297.2009 62507.0676 34548.4397 2^-fucosyllactose 6245.8031 8103.3623 9777.9527 5657.9481 9008.9532 9740.9911 11246.7079 12805.5135 14055.9579 16193.4067 2-hexadecanoylthio-1-ethylphosphorylcholine 7124.1934 4601.1491 8000.2173 4577.6772 5576.4809 5536.7314 9893.1459 7755.6508 8887.5037 6383.3822 2-hydroxy-4-methylbenzoic acid 3359.4395 2531.1147 2582.3347 2564.2760 4368.2802 1917.1611 2523.5209 2465.7275 2500.3155 2767.9671 2-hydroxyacetophenone 21099.3069 37258.0962 21110.4040 23450.6482 27074.7031 23947.0286 24254.1431 31099.4664 19542.8463 39590.9110 2-Hydroxyadenine 2-Hydroxyadenine 15089.2716 12149.3595 18423.2832 18345.2417 13501.0760 23337.7625 27162.8750 22853.3945 17474.0128 4967.8834 2-hydroxybenzyl alcohol 2-Hydroxybenzyl alcohol 91947.2606 87848.6472 39599.0564 119717.1142 60193.8526 166543.3341 164176.8923 174427.1281 66357.1366 173261.7418 2-hydroxyphenethyl alcohol 38239.2648 36865.4296 34594.8845 40098.9102 40752.8258 13623.0592 15025.0099 23136.7545 15612.8349 23648.3404 2-Methoxybenzoic acid 2-Methoxybenzoic acid 7935.7285 8364.9080 7690.9158 4925.9174 4018.6695 11325.1793 8957.6538 8484.4790 9315.7159 17742.3989 2-methylamino-1-phenylbutane 84588.0772 64523.2985 299519.7965 62376.8895 89847.8788 251731.7185 65657.9560 66714.7677 61344.2402 99872.8666 2-methylbutyryl-l-carnitine CAR 4:0;2Me 2532079.6890 2549502.7060 2723880.1620 1371065.0480 2105494.4580 5883918.4850 7774449.7990 8836347.0240 8409232.3350 10021782.1900 2-methylindole 2-Methylindole 3559.6190 3852.5441 10023.9875 11949.9240 3846.6694 20692.5009 10135.1648 5354.9923 6675.9965 5007.3483 2-(n-ethyl-n-m-toluidino)ethanol 16055.1913 16981.7880 37893.1425 20666.8494 16260.8535 14082.5357 26292.8112 12603.4022 26514.3188 21251.2751 2-(n-morpholino)ethanesulfonic acid 2-(N-Morpholino)ethanesulfonic acid 19548.3529 23392.2565 17004.9570 15655.9725 20783.8632 16749.7325 13527.3448 12009.8762 30867.4789 45288.1196 2-oleoyl-1-palmitoyl-sn-glycero-3-phosphocholine PC 16:0/18:1 1866275.1460 4520730.5710 2783897.6130 1617066.7530 7629090.3840 1597745.4750 5639916.3280 2632286.5420 8954258.4320 4410563.4050 2-oleoyl-1-stearoyl-sn-glycero-3-phosphoserine PS 18:0/18:1 94097.4619 215939.7946 147716.4372 82058.8254 437139.8096 63393.9966 218920.6698 109578.2096 354043.5767 175807.7293 2^-o-methyladenosine 2'-O-Methyladenosine 20104.5781 16230.7348 18611.6313 21776.6584 13885.3099 16962.4094 8773.8749 9576.5403 9877.1136 9759.7961 2^-o-methylcytidine 2'-O-Methylcytidine 28067.8549 29781.7812 16947.6916 21455.2280 31436.8585 11248.8407 9963.9070 12526.0732 10208.4925 10683.3025 2-o-rhamnosylvitexin 1211.8821 910.9574 1158.9847 943.6610 835.6295 781.6484 781.6567 798.3603 552.1499 1075.9540 2-oxiraneacetic acid_ 3-phenyl-_ cyano(6-methoxy-2-naphthalenyl)methyl ester 540.1409 624.9373 1719.6763 1647.7995 1618.5933 5829.6267 2292.6628 1254.2765 967.7645 891.7554 2-palmitoyl-rac-glycerol MG 0:0/16:0/0:0 1984733.4230 2085759.2680 1371697.6280 1461362.7640 2628660.8550 1578566.1390 1661252.8060 2324189.6290 1713275.0870 1979640.0020 2-piperidinecarboxylic acid_ 1-(3_3-dimethyl-1_2-dioxopentyl)-_ (1r)-1-(3-aminophenyl)-3-(3_4-dimethoxyphenyl)propyl ester_ (2s)- 16692.7557 21999.1004 13352.2439 16057.1012 14496.2531 15661.7649 20052.9971 14170.8609 17364.7455 11780.6736 2-pivaloyl-1_3-indandione 4305.3987 4214.1861 4184.4964 4210.5797 3948.2351 4161.7159 2503.3469 4103.5605 2465.7201 2225.2156 (2r_3s_4s_5r_6r)-2-[[(2s_3r_4r)-3_4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[4-(4-hydroxyphenyl)butan-2-yloxy]oxane-3_4_5-triol 1059.2451 926.0042 826.9720 917.9139 1142.1826 2333.5150 1297.0972 1386.4789 993.6669 912.1517 (2r_3s_4s_5r_6r)-5-[(2s_3r_4r)-3_4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-(2-phenylethoxy)oxane-3_4-diol 4298.4773 7642.7031 5525.9158 14019.9744 15291.6922 3177.8028 9004.9682 6026.9187 7495.5563 12657.3831 (2r_3s_4s_5r_6r)-6-[1_7-bis(4-hydroxyphenyl)heptan-3-yloxy]-5-[(2s_3r_4r)-3_4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)oxane-3_4-diol 28413.5102 31387.0374 33577.9326 25466.5748 28653.9229 30377.4130 37368.4304 38545.6996 41220.8574 44198.5194 (2s_3r_4s_5s_6r)-2-[(2r_3r_4s_5s_6r)-2-[[(3s_6s_8r_10r_12r_13r_14r_17s)-3_12-dihydroxy-4_4_8_10_14-pentamethyl-17-[(2s)-6-methyl-2-[(2s_3r_4s_5s_6r)-3_4_5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2_3_5_6_7_9_11_12_13_15_16_17-dodecahydro-1h-cyclopenta[a]phenanthren-6-yl]oxy]-4_5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3_4_5-triol 13064.1809 12684.8665 13728.2460 13746.2843 11236.0929 11028.2571 17944.2640 15629.9001 15038.3627 14977.6173 (2s_3s)-3_5_7-trihydroxy-6-methyl-2-(3_4_5-trihydroxyphenyl)-2_3-dihydrochromen-4-one 793491.7267 832383.0914 845295.7152 750850.9913 824499.7582 619574.0158 794562.0808 822615.9690 917886.8381 1005308.2550 2-sdahma [dmed-fahfa] 7162.7352 13739.2045 10372.0431 5989.4075 12750.8724 9097.2941 12338.9358 8961.3716 19917.2624 9849.2265 2-sdahpda [dmed-fahfa] 6199.5609 10839.9680 8315.2975 4757.2973 10648.5925 7281.7539 10770.8814 8124.1104 15388.3000 8637.8686 3-[1-[3-(dimethylamino)propyl]-5-methoxy-1h-indol-3-yl]-4-(1h-indol-3-yl)-1h-pyrrole-2_5-dione 4772.4736 6827.3350 3437.3429 4487.7690 3391.9808 3817.4830 5333.6783 3252.7473 5372.9654 2973.7607 3-(1h-indol-3-ylmethyl)-6_18-dimethyl-12-(1-phenylethyl)-9_15-di(propan-2-yl)-1_4_7_10_13_16_19-heptazacyclotricosane-2_5_8_11_14_17_20-heptone 18061.2956 31181.4597 17045.6130 18919.4257 17099.3457 10317.3322 15594.6409 13341.1541 12565.4007 13270.6857 3-(2-Hydroxyethyl)indole Tryptophanol 12683.1610 5374.8957 13774.9492 5870.3504 15463.5628 13225.3373 12212.6092 13059.0318 10398.3628 9783.9866 3_5_9-trioxa-4-phosphatetracosan-1-aminium_ 7-(acetyloxy)-24-carboxy-4-hydroxy-n_n_n-trimethyl-_ inner salt_ 4-oxide_ (r)- 228943.3218 230851.5942 248927.4394 256323.8323 302113.9270 298639.6083 399272.8152 451240.8654 469142.8880 425406.0833 3^_5^-cyclic damp 25698.2357 30941.7956 38685.7380 43208.0479 25497.0710 40135.5467 34661.8413 39961.1214 21898.6945 40013.9741 3_6_9_12-tetraoxatetracosan-1-ol 28598.9807 34707.2761 11815.0174 38892.5784 23512.6197 23844.7672 32937.2936 29895.6836 55776.3377 24846.5737 3-acetoxypyridine 30909.3576 28360.7317 92797.8735 28734.0220 36425.9641 28611.0630 38849.1598 49068.0597 60480.3359 43011.3342 3-alahpda [dmed-fahfa] 16778.1438 35037.1029 26804.0965 13634.6495 32046.1799 24743.4396 36113.7986 24889.4749 48867.0830 30004.4695 3-amino-2-(4-chlorophenyl)-2-hydroxypropanesulfonic acid 693.5744 2887.8059 4035.1532 318.8011 204.0563 1394.8072 804.2240 2140.5829 451.6131 1912.8796 3-aminoquinoline 3-Aminoquinoline 51215.2134 51047.7410 38203.3189 46842.1865 50868.7423 45109.7443 128133.2879 78441.4578 33229.8014 72055.9670 3-deacetylsalannin 21379.1888 21841.0827 21680.5399 14401.6568 20380.0809 12906.0102 23075.2404 15044.8581 19267.8951 18409.7351 3-epilupeol 8065.7663 8731.6330 6711.0179 7352.7789 6144.6592 7573.8880 6359.9071 6775.0755 6635.1920 6047.9351 3-hydroxyanthranilic acid 3-Hydroxyanthranilic acid 2056760.7580 2034750.5460 2140152.0690 2099195.3630 1919446.7730 2513159.9730 2770041.4650 2906569.8960 3067257.2880 2618701.7010 3-hydroxyhexadecanoylcarnitine CAR 16:0;3OH 3109.2232 4427.2247 4140.4935 4034.7383 2835.8018 3800.4490 4478.7707 3755.6907 5312.6335 3856.9476 3-hydroxyisovaleric acid 3-Hydroxyisovaleric acid 3430.6335 12767.1673 8242.2710 11512.6060 13700.1030 3556.2417 17761.4409 4997.1794 3523.7341 5386.6815 3-Hydroxykynurenine Hydroxykynurenine 18568.5527 17926.7527 4743.1230 18707.7710 13219.1478 4332.8692 17331.9345 18492.4420 16010.2790 14820.2007 3-hydroxypyridine 3-Hydroxypyridine 97287.8715 106710.8193 100923.3902 85256.4921 111189.5727 143731.5843 123396.6011 163075.6062 181201.1572 196735.3780 3-methoxyprostaglandin f1.alpha. 1476.5830 1447.1740 831.4862 2204.6639 1313.2174 1612.3834 1793.0249 1468.0057 1779.6169 1731.6676 3-methyl-2-buten-1-ol 3-Methyl-2-buten-1-ol 117587.2191 101526.5859 68075.3929 132503.7869 128028.7400 35808.5641 69862.2383 119442.3670 122516.6777 120171.1478 3^-O-methyladenosine 3'-O-Methyladenosine 11180.3172 17664.6878 19096.8103 17709.6091 7856.7517 30574.9253 17327.6006 20039.6385 16438.5477 18243.0587 3^-o-methylguanosine 3'-O-Methylguanosine 46753.3377 47062.0455 39798.1657 43543.6515 47045.1763 5725.5002 9500.4380 10973.5848 12683.8528 9216.2130 (3r_5r_6r_7s_9s_10r_13r_17r)-17-((r)-5-methoxy-5-oxopentan-2-yl)-10_13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthrene-3_6_7-triyl triacetate 3247.7587 6735.2918 4035.1125 3976.2340 4456.7870 2839.1599 3966.3359 4479.7375 2890.4839 3417.0929 3^-sialyllactose 3'-Sialyllactose 8717.9724 8258.7067 9644.6760 8977.8037 10068.5923 3508.8135 4043.2129 5165.1967 3774.1770 4338.8983 (3s)-vestitol 16890.1986 25974.4755 28081.5141 19072.6030 24577.7129 4768.2501 5012.1106 2453.8107 4620.5948 2250.4433 3-ureidopropionic acid Ureidopropionic acid 25869.5939 32972.9934 24728.0900 24888.6111 24281.4676 12338.1760 14135.3804 25722.9384 12190.3737 17972.7954 4-(1-piperazinyl)-1h-indole 60074.0116 76667.1986 64862.2155 60667.1898 68064.0704 151394.7563 152707.3362 103822.6053 107770.1828 122994.7610 4_4-dimethyl-l-glutamic acid 22162.2876 22268.1385 22637.3169 30195.7541 20892.5730 22788.0921 27669.2450 27368.2076 26175.8140 33924.7609 4-acetamidobutanoate 4-Acetamidobutanoic acid 1790.9856 13307.8581 3193.3722 12885.1622 10425.8610 4190.7252 3436.4929 4133.6704 2846.5102 3231.2847 4-acetoxy-n_n-diisopropyltryptamine 272742.4814 252733.9754 234329.7091 215007.1236 144760.6835 612537.7343 672943.8591 438972.2974 171755.4020 330370.5170 4-Aminobutyric acid(GABA) 4-Aminopentanoic acid 143826.7533 156989.0002 161983.5333 136603.5058 164187.0332 149453.6616 153032.6450 157815.3782 159942.1836 178156.7516 4-androsten-17.beta.-ol-3-one glucosiduronate 15556.1163 15563.4819 16372.5551 14231.7363 15984.9618 12517.7724 36245.8187 16837.6207 17490.9839 17711.6102 (4ar_5r_6as_6br_10s_12ar)-10-[(2r_3r_4r_5s_6r)-3-acetamido-4_5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2_2_6a_6b_9_9_12a-heptamethyl-1_3_4_5_6_6a_7_8_8a_10_11_12_13_14b-tetradecahydropicene-4a-carboxylic acid 14887.8420 17526.0589 15713.6872 12178.8836 15393.9620 8013.8805 15771.9626 13929.6610 23355.6549 16889.2044 4^-benzyloxycarvedilol 7076.2884 1396.5199 6481.6841 1693.6030 6607.7936 1587.0089 1574.1459 4296.4939 4593.0152 4750.3452 4-deoxypyridoxine 8773.5746 6901.8621 7784.1680 8921.3148 9011.8101 1852.0107 2123.2155 1758.9123 1828.8850 3491.8695 4-fluoro-.alpha.-pyrrolidinobutiophenone 10726.8205 12993.6191 9162.1958 6726.1053 9072.8792 9990.2399 7623.6641 13694.7125 5176.7919 15775.8047 4-fluoroamphetamine 2093.1071 1722.9013 3385.0545 1431.2019 2681.1034 2699.3433 2114.2924 1511.6252 3076.3462 2359.5339 4h-[1_2_4]triazolo[4_3-a][1_4]benzodiazepine-4-acetamide_ 6-(4-chlorophenyl)-n-ethyl-8-methoxy-1-methyl-_ (4s)- 3625.6480 4324.0528 2947.2260 598.7347 929.1700 3941.8028 3618.1381 4063.1688 3275.0036 4464.5733 4-Hexen-1-ol_ (E)- 14315.4083 15449.3544 15106.9838 12825.1846 540.7638 10268.8972 20244.7719 14581.0140 20073.9971 16993.3550 4-hydroxy-1-(2-hydroxyethyl)-2_2_6_6-tetramethylpiperidine 416833.3303 299834.4968 333769.0767 366712.7128 300078.0672 357922.1893 373638.0136 420706.4651 315093.9059 409509.9422 4-hydroxy-3-methoxyphenethyl alcohol 71114.0580 67866.9610 60639.6985 51290.7133 67512.6184 27289.0945 66408.9247 78136.8686 73391.0576 79819.8921 4-hydroxydebrisoquine 45094.2838 48164.0404 52760.0461 47201.3614 54956.6708 56223.4871 63174.0173 75831.5277 75336.3547 75774.6906 4-hydroxy-l-isoleucine 104480.0945 120842.6530 113037.0117 114047.2107 119790.7110 82157.9941 83516.0274 91092.2045 99225.5510 99214.1571 4-imidazoleacrylic acid Urocanic acid 21944.8763 36501.8020 12909.9383 31230.8638 11407.4001 36788.7651 32525.4470 25498.3646 29578.7328 26118.7158 4-ketopimelic acid 1988127.1710 2187779.6070 2401114.1590 1914513.5130 2188951.7000 2055723.1050 2042074.5430 2355036.8810 2291041.3490 2603372.5250 4-(methylamino)-4-(3-pyridyl)butyric acid 287513.6480 186588.3763 217440.8338 320381.5234 270501.3233 255169.5890 217745.4711 156649.6223 220821.8225 175910.8494 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone 5776.1415 6702.7744 6275.2530 3172.4762 6508.9969 8132.0183 8584.3943 10938.6414 11587.3260 15997.3453 4-methylumbelliferyl .beta.-d-glucuronide 11903.5369 11900.3845 11418.2096 12918.5327 15317.1841 6906.1852 9390.4961 8289.8369 12518.6632 11003.3379 4^-o-.beta.-d-glucosyl-5-o-methylvisamminol 7496.5020 8703.5577 9529.7075 5306.5010 7893.3613 8058.7364 4870.1868 6727.8144 6943.1319 10761.8815 4-picoline 57115.6911 74183.6704 65164.6116 52988.8029 54532.0307 2301.8885 15335.9707 8388.6240 21459.1496 20176.0259 5-(2-hydroxyethyl)-4-methylthiazole 5-(2-Hydroxyethyl)-4-methylthiazole 112829.1777 134749.1119 150045.3261 84848.7657 108257.1479 365479.3185 119047.4602 127630.0412 125463.8578 139228.0935 5-[[4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentanoic acid 15037.4093 17165.1896 16560.5200 11958.7582 12894.5364 8731.5744 11091.1306 11890.9142 12805.9409 12260.9169 [5-acetyloxy-3-(hydroxymethyl)-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] 3-methylpentanoate 15931.8196 16481.0134 15549.8023 17799.4520 19850.9627 11385.3882 7351.5380 6378.7441 13529.5699 19264.9942 5-aminovaleric acid 5-Aminopentanoic acid 26238.1827 29045.4027 23475.6891 22853.6736 32085.6961 49900.6775 51636.0254 63084.4037 50141.2019 50893.8344 5-aminovaleric acid betaine N,N,N-trimethyl-5-aminovalerate 861616.8541 922705.6069 981473.1475 842845.9521 992444.6331 905205.2003 1145469.9890 1221069.2690 1218154.4150 1283991.8200 5-azacytidine Azacitidine 8369.7340 5240.8093 5779.1661 4616.0133 4296.6694 7206.8853 4468.1578 6195.0738 6017.8515 7438.9470 5^-Deoxyadenosine 5'-Deoxyadenosine 6292.9857 7395.1787 7969.4799 7552.9702 5489.5077 13671.5745 7401.0578 7647.3079 8963.8017 13032.9224 5-fluorocytidine 120573.5703 103558.4704 55297.2072 113265.9066 144761.4413 59274.2259 67404.8892 81475.9643 87354.8327 48458.5193 5-hydroxy-3-(4-methoxyphenyl)-7-[3_4_5-trihydroxy-6-[(3_4_5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one 5873.9964 5103.2293 3472.3279 7339.4390 4574.2287 4519.9641 4368.0495 3995.8688 3781.9994 4044.6474 5-hydroxydopamine 5-Hydroxydopamine 13493.6526 16513.4751 9225.4455 23392.6973 3139.2540 31181.1671 23486.6289 44135.2213 11519.1991 20496.5595 5-hydroxyindoleacetate 5-Hydroxyindoleacetic acid 3723.3809 4593.5104 11624.4070 4630.0416 30208.5201 2493.4383 4146.4448 4965.9778 3553.1856 3894.3550 5-L-Glutamyl-L-alanine gamma-Glutamylalanine 361493.5102 352394.3585 407930.3552 209388.1452 452556.4736 210009.2565 194063.2740 170837.4531 267537.6400 358822.4035 5-methylbenzotriazole 1340995.7600 1297390.4070 1257509.4880 1337333.9170 1208827.1340 227349.2572 730883.8514 949533.8819 552894.8247 789302.9525 5-methylcytidine 5-Methylcytidine 45120.0334 40836.6669 41149.6332 73347.1568 37861.3641 54552.0759 49224.9338 71847.0241 62370.5603 46416.7391 5s_12r-dihydroxy-6z_8e_10e_14z-eicosatetraene-1_20-dioic acid 20-Carboxy-LTB4 15543.2139 17628.6953 17081.8918 14841.9263 16808.6812 26344.2165 22311.0959 27226.5553 27260.9555 30931.5817 5(s)_14(r)-lipoxin b4 42559.5169 38478.5666 39969.8953 31858.0068 33277.2640 16362.3916 47414.5484 34512.4956 24310.8965 32110.8378 6-Benzylaminopurine Cytokinin B 34941.8111 37358.0473 38598.1588 83565.1742 25009.4795 66706.9649 55282.0298 31950.1295 58586.8573 97969.0853 6-formylpterin 27969.1795 18913.1962 21747.4426 22172.1921 44103.4321 88510.9240 20827.6477 24500.1668 18193.6346 25683.2581 6h-dibenzo[b_d]pyran_ 3-(1_1-dimethylheptyl)-6a_7_10_10a-tetrahydro-1-methoxy-6_6_9-trimethyl-_ (6ar_10ar)- 8207.0027 6368.6449 6851.8717 16059.9647 48088.3312 6508.1175 21629.1698 5577.1329 15499.9266 10134.9662 6-sialylgalactose 2289.9582 2918.5344 3805.1289 1781.1394 1355.1030 8676.2091 11081.1507 8062.0211 3064.9375 4952.3586 7_8-dihydrobiopterin 7,8-Dihydrobiopterin 113666.8256 108226.9004 62670.2194 159402.4087 153592.4868 7967.0771 117972.2859 135849.7939 153364.9384 155636.3662 7_8-dihydro-l-biopterin 16514.3826 10178.7405 12011.9494 15119.3745 10502.6194 14571.3273 13296.1025 12554.4309 5414.6084 12715.9468 7.alpha._17.alpha.-dimethyl-5.beta.-androstane-3.alpha._17.beta.-diol glucuronide 11964.2151 7248.6562 7300.5798 6050.4733 7400.7245 4620.0614 14381.6722 6793.4560 7248.9575 8360.9436 7-benzyl-11_14_20-trimethyl-16-(2-methylpropyl)-10_13-di(propan-2-yl)-17-oxa-1_5_8_11_14-pentazabicyclo[17.3.0]docosane-2_6_9_12_15_18-hexone 6632.4696 8092.9306 5496.4244 6469.5726 6461.9620 2046.7081 4336.2978 3945.3433 6474.6477 4658.6101 7-Methylguanosine 7-Methylguanosine 798.4846 944.3497 435.9725 1753.1686 2070.5776 2077.4495 497.6992 560.1658 719.1645 385.4569 7-(triethylsilyl)-10-deacetylbaccatin iii 536.9600 1684.1682 10637.5496 261.5729 321.5131 16192.5931 42124.6681 267.1392 323.0824 751.6437 (+-)8_9-DHET 8,9-DiHETrE 274.4758 7399.1413 8001.1037 6584.8410 207.4639 6298.9869 6520.8911 7429.2650 483.7306 6640.5527 8-iso-prostaglandin a2-biotin 3358.9913 3357.6522 1563.6350 2085.2599 2679.9170 3981.7643 14162.5739 5539.8548 3238.6635 4767.8779 Acadesine (drug) 22337.6893 24886.2745 23600.0859 22734.7872 27802.1887 26252.1495 41386.4408 20696.7581 23147.3330 34864.9876 AcCa(12:0)+H CAR 12:0 8109245.0340 12601277.4100 14465365.9500 12115721.1800 20412633.4500 18701864.2100 24908536.3900 24241457.1500 25266020.8900 19029967.7400 AcCa(12:1)+H CAR 12:1 536847.4596 5597228.5990 3448118.2280 4847682.0050 411075.1491 2678024.8670 9683987.8470 6467615.8670 7937089.7710 7539693.7360 AcCa(13:0)+H CAR 13:0 2078447.2080 3566756.2220 3652603.2070 3473572.5720 4951372.3330 4432094.4430 5476325.3860 4815017.8230 6571830.1070 5620199.1720 AcCa(14:0)+H CAR 14:0 147354116.2000 191177221 127199919.1000 202486883.7000 181600784 276105053.4000 322158169.6000 235378001.9000 306955447.7000 196595624.8000 AcCa(14:1)+H CAR 14:1 11667460.6500 13325927.8000 15276262.7100 16951123.6700 14409109.3400 20578143.8700 19918269.3700 16941209.4100 22567329.2600 19617957.2300 AcCa(15:0)+H CAR 15:0 26131452.3700 30576217.2300 33415878.7600 31419368.0300 23021286.3800 40128425.9700 38422659.8600 34979558.8000 46269594.5800 28689520.8300 AcCa(16:0)+H CAR 16:0 501031399.9000 864854097.4000 667972973 592842298.2000 492504312.5000 1028192441 880193371.7000 743952363.1000 969137152.8000 622991079.9000 AcCa(16:1)+H CAR 16:1 96704732.8300 147294964 112627925.1000 147620441.9000 103196013.4000 226198337.4000 230451456.6000 185452671.2000 229906802.1000 170962595.4000 AcCa(17:0)+H CAR 17:0 23711223.6200 27689876.3100 16312429.4600 33120007.4600 23044502.3300 36583096.6800 32963173.6000 24819911.5100 35595912.8000 24844131.6700 AcCa(17:1)+H CAR 17:1 12473856.5800 13984651.9700 14111256.9300 16537787.0800 13784693.1300 23764187.3500 20953425.9700 16585436.4700 28107347.3000 24087084.4400 AcCa(18:0)+H CAR 18:0 56347449.6900 56571947.7900 54123440.2500 41083168.6400 56120773.3900 60215940.0800 50323451.4500 47356434.5700 59851350.9000 41804603.2200 AcCa(18:1)+H CAR 18:1 345611536.7000 422438264.6000 454653469.4000 448887398.7000 384096833.2000 630574430.2000 603926538.2000 487765959.6000 595291552.2000 471546915.5000 AcCa(18:2)+H CAR 18:2 9647541.5540 9533849.2260 11386636.6100 10971989.4300 9945888.9730 15740246.0700 13540001.6300 13001850.7200 18890731.2100 11964442.4200 AcCa(20:0)+H CAR 20:0 3968658.8770 5676962.4520 4140266.8280 5599266.9240 3933993.8080 2937893.6670 3345830.8450 2536596.9470 3150881.3370 2224548.1500 AcCa(20:1)+H CAR 20:1 14876417.2300 16738691.6700 15686955.0100 12521276.0400 15960952.5900 12250095.9700 12221766.9500 11529729.0800 14464022.4600 10847527.7100 AcCa(22:0)+H CAR 22:0 3539412.1890 4025567.2640 3145022.7930 3028534.9740 3763794.7460 2876835.4970 3279808.0780 3108987.5930 3735017.2900 2110327.5320 AcCa(22:1)+H CAR 22:1 4345785.1630 4725364.2390 4548802.2900 3839731.3250 4460764.5300 2485568.0230 3346676.4370 3010494.9750 3677995.7710 2436217.2490 AcCa(24:0)+H CAR 24:0 14940871.3100 19016271.3000 15917590.1100 15073693.2500 19380188.3500 15768498.9000 18028254.4300 20779536.5600 23862518.5600 7467995.8930 AcCa(24:1)+H CAR 24:1 14937732.7800 16124970.2300 13006032.0600 12892302.4200 13667590.8300 12899225.7600 16275430.7400 15665819.6400 19025415.2400 11695356.6800 AcCa(24:2)+H 2046057.8100 3209191.3940 2562930.2700 3160383.4620 2652381.7020 1556619.1410 1467197.9500 1490458.6300 1774456.5490 1505516.6920 Acetohexamide Acetohexamide 3275.5161 1595.2665 2063.4940 4604.0567 6424.6881 824.2050 1732.4703 2259.8376 2517.2589 1053.4960 Acetylcarnitine CAR 2:0 673934.7353 1130104.2330 1444385.5840 415627.2607 492354.1930 865909.3040 1170524.3650 969284.1200 959493.5848 1175345.9160 Acetylcholine Acetylcholine 7906.7496 10001.9233 5375.8933 9511.7135 6897.9456 6941.0427 11130.9588 13713.4499 12880.9242 12190.9108 Acetyl coenzyme a Acetyl-CoA 29779.1962 41685.9852 44132.4370 28765.0193 52727.6220 22015.3560 21447.1724 30746.9407 28962.7497 42518.8999 Adenine Adenine 3648933.2740 3322274.1490 3287313.0700 5452266.3710 2879265.1200 3312182.5930 1440052.9800 1206912.6760 1613644.5680 1071460.5920 Adenosine Adenosine 41895593.1400 37261330.1900 41397356.5100 53971497.9200 35137142 30159880.8300 12922869.9500 16064220.0100 14415333.5300 15388737.9400 Adenosine 3^_5^-cyclic phosphate (cAMP) 37955.2772 28322.2480 36655.2629 50727.3849 32688.6072 36376.0584 12763.6864 18610.9115 11039.8092 16853.4803 Adenosine 3^_5^-diphosphate (PAP) 108472.7015 106303.0634 122488.8332 86106.1851 143504.5672 4090.6855 5744.2056 34929.3482 16632.0612 114701.2795 Adenosine 5^-monophosphate AMP 5212897.0850 4455343.1120 3992743.1710 2575811.5270 3496597.9440 7300515.0420 17612281.1900 12899150.4500 7147223.3980 5418306.4330 Adenosine 5^-triphosphate (atp) ATP 176039.8652 181855.4277 197213.3764 182826.3786 218313.8626 173602.3317 143411.5827 169643.1754 184761.5551 203723.9475 Adenosine monophosphate (AMP) AMP 357698.1238 1268889.6880 136072.1687 262549.3793 239160.6362 498390.0918 1352446.9650 500496.0678 3058300.1880 644131.3772 Adp-ribose ADP-ribose 30721.5343 19036.3787 17613.4578 17825.3160 30195.2125 12158.8908 13728.3933 14832.8456 21198.3217 18955.0838 Aflatoxin g2 49991.3190 26834.7099 19583.5838 34714.8390 54798.9372 17013.0894 6052.3579 25242.6217 11761.3196 23056.1811 Agmatine Agmatine 8992.1862 8208.0258 9040.5336 8157.8905 8282.7075 4023.8506 8353.3123 8174.7937 8819.1230 8097.1877 Ala-Ala Ala-Ala 15666.1783 28198.8379 55311.1990 7263.8272 4647.0023 112414.1150 141222.0180 43916.6388 43899.7850 46136.2440 Ala-Arg Ala-Arg 57886.8240 54591.2706 51810.1424 43815.1633 52521.6008 35047.5254 28402.9184 30878.6646 31133.5340 45386.2764 Ala-Gln Ala-Gln 496.4744 2049.5907 5937.3569 242.0925 641.8791 1624.6587 1432.3118 1075.5313 12349.0682 16843.9291 Ala-Glu-Arg Ala-Glu-Arg 42838.0490 52922.6126 52198.3137 38864.4975 56985.1277 45250.8202 50015.2596 50197.3040 53037.5825 62866.7381 Ala-Leu-Arg Ala-Leu-Arg 16973.2953 22280.8984 15288.7902 16161.5673 23261.4902 27954.0893 36962.0754 19214.2746 26034.1329 17742.5807 Ala-Phe-Arg Ala-Phe-Arg 7051.9037 6752.5790 8211.7291 4070.0752 5988.6033 5165.3997 10585.8090 9010.3510 7262.2814 8829.6450 Ala-Pro Ala-Pro 28063.8048 32584.9443 31627.6124 26991.8518 31550.0633 30588.4025 34502.2163 36825.3639 38162.5841 42811.1263 Albiflorin 1731.3546 1877.7415 2062.2029 1672.2369 1878.7564 1878.4882 2573.2812 1862.7957 1570.4244 1784.7094 Alfentanyl 12622.3526 13942.8316 9646.2075 9670.5055 12867.5015 13045.3196 15069.3684 19437.8958 18794.6907 21778.6207 Allantoin Allantoin 44917.7088 40384.8729 50702.5723 49679.5912 52230.3573 36317.0856 38728.3935 43549.2687 42689.1382 46093.0186 Allocystathionine Allocystathionine 48694.1739 41619.2276 55823.1366 39638.4082 63946.6891 74538.1178 49628.1742 58859.2662 247561.2288 59865.9616 .alpha.-cyperone 62004.3747 43868.3087 4128.4772 35983.0962 18401.4668 7616.8854 8322.1810 7941.1934 6660.2501 9399.5640 .alpha.-guanidinoglutaric acid alpha-Guanidinoglutaric acid 2004.5165 2420.3924 57830.1304 2969.7356 2706.2691 2790.3040 2379.5925 3044.4296 2623.9840 2464.5943 alpha-Guanidinoglutaric Acid alpha-Guanidinoglutaric acid 3809.8726 3677.8222 3721.8155 3298.2302 3762.2492 3771.6937 4184.7641 5073.1644 4578.8227 4989.3829 .alpha.-L-Glu-Gly 455391.0857 440812.7402 491346.1020 282773.7751 403718.1075 653056.5307 865951.9904 733832.4429 953163.1047 895541.7308 .alpha.-L-Glu-L-Asp Glu-Asp 119982.4203 124386.1318 126370.3868 118134.9168 131352.2994 117773.7043 137883.9304 159617.1285 158587.6276 154413.6861 .alpha.-L-Glu-L-Tyr Glu-Tyr 192620.3908 200122.2141 182287.3419 126171.0575 199649.5837 248232.9903 338857.2830 359558.0036 385707.4793 375386.7612 .alpha.-methyltryptamine 42349.4832 47317.3457 48423.8332 35336.2463 45068.8919 41035.6912 50694.6667 45902.1296 42165.8169 46437.8899 .alpha.-tocopherol nicotinate 9579.5700 17408.2863 14215.9982 10579.1059 17860.3270 13127.8468 19313.8444 15823.1155 34540.8566 16653.4964 Amikacin Amikacin 40788.0311 22417.1109 30174.7139 27035.2982 25611.4534 53280.5286 120923.6803 60000.2203 48157.0857 59048.9931 Amphetamine Dextroamphetamine 6202.6940 6931.2848 3259.9074 4797.3400 4877.1546 10286.6337 4148.2374 9134.1287 5006.4256 4931.5250 Ampicillin Ampicillin 31782.5612 93402.2845 90611.9485 60586.0705 110111.9641 25102.8098 20116.3518 26890.3073 22631.9504 33513.3380 Amygdalin Amygdalin 8461.0919 8343.1690 8752.7568 7151.1350 8305.6855 7273.0559 6618.4633 9794.8006 9590.4328 9951.1224 Androstan-3-ol-17-one 3-glucuronide 911386.1800 950613.2472 892188.0698 877450.1845 1058997.1640 516259.5974 617746.4218 696287.6251 733413.4812 822747.8403 Androsterone glucuronide Androsterone 3-glucuronide 6184.3352 5698.9215 5794.1441 5234.3425 4585.5685 6822.3182 15473.6452 9877.9608 6744.6299 5157.1627 Angeloylgomisin h 31086.1011 32657.7041 161466.3096 26795.1301 45917.9385 184028.6502 27272.3830 25107.6659 79221.9711 53855.7698 Angiotensin iii Angiotensin III 2255.4036 7430.5206 4474.4194 1932.0683 8039.0334 4545.9046 6903.0923 4428.8886 10453.3616 5302.5045 Aniline Aniline 132901.6972 136400.2694 138187.3180 58523.0085 130411.2141 34912.2516 40334.1853 42943.3415 46656.6539 50183.4393 Anserine Anserine 8517.9324 12454.6093 8467.7490 10310.6333 10969.3221 9126.8220 9305.2925 10313.9185 11818.9730 11605.4035 Arachidonoylglycine N-Arachidonoyl glycine 1297.2703 3570.4519 1167.7209 2594.3311 3051.7372 842.9289 1845.4362 889.7334 1210.1962 751.7907 Arachidoyl ethanolamide Eicosanoyl-EA 399336.2912 408674.9716 449662.4573 653003.2517 1424937.1570 469381.1176 403887.4559 428675.4975 296280.7549 376657.6614 Arctiin 1187.8523 1507.6222 2553.7323 1167.8543 6436.2171 596.8487 8572.8589 2445.3606 5096.3204 2381.3303 Arenobufagin 34336.1149 38495.3876 36717.7735 32786.4239 37866.0261 42125.1788 53079.0909 59304.0257 59885.9449 66253.1652 Arg-Ala Arg-Ala 98489.3582 67529.9776 83256.4760 76328.6177 61192.5693 70671.2383 207713.5318 100182.3259 108855.3342 98650.5871 Arg-Asn Arg-Asn 23505.1350 20726.3528 23948.9993 17841.6935 22140.5760 17983.8902 23726.2031 21887.8118 23547.9063 22765.5378 Arg-asp Arg-Asp 84731.8202 101098.5911 85077.5173 92024.8048 90132.7193 86119.0947 83193.3241 76480.5396 77024.0957 96016.6332 Arg-glu Arg-Glu 127095.2616 127155.4980 122406.5613 177844.2988 271917.2570 123726.6222 103036.8119 205835.6130 229760.9597 285550.1671 Arginine Arginine 73380.7506 76196.2640 75771.7535 27964.7514 48691.3408 70663.6760 98828.1359 114786.1679 111001.1981 121480.4710 Argininosuccinic acid Argininosuccinic acid 39598.8096 45087.8985 50890.9457 38784.3622 47380.9777 83399.6514 78222.8497 98288.5878 92340.4084 114384.2978 Arg-Leu Arg-Leu 86503.0244 62577.9464 58911.5337 67970.8524 75991.8694 48531.8737 202226.6558 114636.2844 81261.2551 104414.3625 Arg-Met Arg-Met 6329.6012 6083.6233 6860.0486 7214.4058 9355.1641 6108.6017 6912.4879 6164.9968 8514.6119 8422.6683 Arg-Ser Arg-Ser 3608.3656 3946.7273 3403.2301 3922.2248 2744.5002 2731.3744 3230.3838 3710.7141 1616.8328 3254.6480 Arg-Thr Arg-Thr 22425.3124 19571.1247 22287.5989 19468.0254 21934.0401 16963.0832 29267.8975 22976.2555 26821.1628 23923.1335 Arg-Tyr Arg-Tyr 6299.2595 5589.4387 4624.4073 7977.6330 6711.3467 5183.4478 10258.0540 10166.7813 7245.4562 6162.2764 Arg-Val Arg-Val 49337.8248 59910.1834 60359.8897 46554.4419 50509.8927 56883.4831 58069.8681 52539.1311 68772.2058 38370.2085 Artemisinin 204306.9856 207641.2002 223777.0890 207086.9820 204746.2751 210810.4317 194754.1440 174484.8088 198955.8094 221478.4136 Ascomycin 10073.5871 11155.2144 8438.4802 8656.6539 9166.6166 6803.4873 13884.5254 6569.2931 4677.2870 5764.6704 Asn-Ala-Arg Asn-Ala-Arg 2033.4698 9056.1430 19898.9604 249.0814 594.6363 7156.4153 15058.9035 14808.0052 6461.1972 5692.3587 Asn-Asn-Arg Asn-Asn-Arg 15618.9691 13768.8465 16080.0951 11423.7217 16548.9223 15611.9163 19754.4747 16289.5286 13418.8954 23071.9776 Asn-Asp Asn-Asp 37985.7418 37649.5655 36255.6459 36502.3612 38170.6100 37600.1295 48489.0473 44775.6990 47148.1382 46707.8171 Asn-Gln-Lys Asn-Gln-Lys 11717.5100 9297.5817 9780.5543 11769.7635 12797.5137 16435.8069 27026.1262 17265.0061 12077.9134 17168.1951 Asn-Lys-Lys Asn-Lys-Lys 15964.7523 12390.6955 12701.4751 13421.9638 12201.4276 3054.3806 6661.9935 10192.3766 8285.7563 11030.3659 Asn-Phe-Lys Asn-Phe-Lys 1129.9532 921.4327 743.8064 512.1552 879.7711 1218.8608 903.9723 1007.5887 1247.2262 911.5239 Asn-Pro-Arg Asn-Pro-Arg 20330.3031 19819.4164 20405.1200 15732.1133 19935.6159 18098.5193 19696.0139 23379.1034 23780.4067 26574.6950 Asp-Arg Asp-Arg 856.0460 750.8621 1279.7159 888.9900 858.7045 1902.1305 1609.6568 592.2697 1818.3877 1905.3962 Aspartame Aspartame 33663.2545 36567.5603 37251.0462 26423.2941 35295.1186 77645.3205 100022.7387 92526.9003 111986.3994 82036.7738 Asp-Asp Asp-Asp 92198.8781 83866.2458 100761.0572 76525.7053 94677.1268 68609.7862 87627.3133 84583.2884 101327.7128 109705.8375 Asp-Glu-Arg Asp-Glu-Arg 11146.2218 10704.5232 12295.9110 9826.1529 9929.6070 11209.2985 12059.3145 11964.2633 12836.8826 15715.9022 Asp-Ile-Arg Asp-Ile-Arg 15032.4822 17779.8940 17828.8970 15702.4622 19609.9929 12893.7578 17052.0954 15249.3467 16637.6642 19673.0821 Asp-Pro-Arg Asp-Pro-Arg 63290.5566 63471.8798 62155.0866 57089.4912 71000.8005 44011.9615 50288.3308 63580.2203 62809.9002 65298.0821 Asp-Pro-Lys Asp-Pro-Lys 57597.1534 55512.7249 52844.8250 51278.2605 65011.1796 43832.5161 53163.7548 53643.0778 54130.6200 70029.0019 Astemizole Astemizole 7154.3763 9111.6426 8560.9220 6852.0604 8658.9694 9084.1229 12261.5570 11583.6157 14184.1929 16171.7567 Astragalin 105317.4104 94611.3785 83715.5414 121565.7256 134211.4522 30843.8107 44737.2600 60678.3843 60653.1776 76030.8976 Astrasieversianin xv 4858.4987 14068.8367 8207.0648 4150.6102 16526.1783 5603.5560 11822.3956 6466.9851 25394.2670 10068.9531 Atazanavir Atazanavir 6853.4014 7341.5168 5370.9455 6753.7189 5936.8103 3511.4778 2592.3197 2834.3722 2019.4108 3636.5594 Atorvastatin Atorvastatin 12170.7607 8353.7587 9044.0498 17489.6456 15957.0556 7066.0908 13813.8571 6505.6266 12475.7978 7159.7636 Avocadyne acetate 10001.1967 3500.1331 42183.5404 14728.4508 3195.8083 83125.2579 22023.3074 11979.7743 10917.4209 5401.6446 Azocyclotin 7325.0492 9476.8654 8041.0697 6986.1480 5831.1024 13513.5768 10194.8412 13094.2459 6988.2216 5705.9879 Baccatin iii Baccatin III 17382.6734 12715.9280 13546.8788 11272.3503 20330.8743 9472.8450 11401.2585 10731.6223 9959.5007 10744.7873 Bacoside x 3137.1273 7231.3910 4433.5396 2699.5229 6413.1373 3614.1496 5982.4634 3811.2414 10231.6629 4593.9384 Batimastat 4980.3179 4988.5210 5395.7249 4626.4312 4913.7078 2598.9483 2294.8899 9823.6929 7003.7204 3886.7309 Beclomethasone Beclomethasone 49219.5803 42937.2702 37090.0746 47811.1467 39835.6501 33428.1447 45924.7378 42480.7649 62050.3530 42868.4287 Bendiocarb Bendiocarb 677583.8059 610039.1391 597292.0759 741483.5171 661208.7027 279911.7162 272980.3753 379641.6895 234385.7815 383822.2716 Benzalkonium chloride (c12) 28340.0372 134499.0511 28067.0810 29429.5233 39580.2055 21518.0214 55251.5257 61813.1712 27480.1068 18472.7074 Benzamide_ n-[2-(dimethylamino)ethyl]-n-methyl-4-[[[[4-[4-(4-morpholinyl)-7-(2_2_2-trifluoroethyl)-7h-pyrrolo[2_3-d]pyrimidin-2-yl]phenyl]amino]carbonyl]amino]- 5302.8723 4020.3403 2908.3646 3306.3267 4082.3483 6196.8457 13360.7461 6221.7154 4996.7943 5021.6424 Benzeneacetamide_ n-[[[4-(5_9-diethoxy-6_8-dihydro-6-oxo-7h-pyrrolo[3_4-g]quinolin-7-yl)-3-methylphenyl]methyl]sulfonyl]-2-methoxy- 1507.9386 1284.8488 1248.2637 1139.6459 1682.5055 4710.1237 3026.8808 1757.5868 2252.7616 2055.5030 Benzenebutanamide_ n-(4-oxo-4h-3_1-benzothiazin-2-yl)- 5340.5161 13070.2782 9920.7192 10732.2857 11805.0528 5659.2506 7135.6466 4069.4285 8047.9329 9836.4200 Benzenepropanamide_ n-(6-chloro-2-benzothiazolyl)-3_4-dimethoxy- 86601.3484 60048.3802 24247.3332 61540.0705 87622.3758 47718.8234 97477.4074 315393.0012 227059.4434 380341.9019 Benzenesulfonamide_ 2-methoxy-n-(1_2_3_4-tetrahydro-3-methyl-2-oxo-6-quinazolinyl)- 40.8279 595.2724 787.4306 1069.9530 292.9641 7683.2108 5022.4842 516.1928 307.1308 218.6725 Benzo[h]-1_6-naphthyridin-2(1h)-one_ 1-[4-[4-(1-oxopropyl)-1-piperazinyl]-3-(trifluoromethyl)phenyl]-9-(3-quinolinyl)- 4061.8999 8686.2587 7990.9955 8177.6627 8948.5927 2550.1086 893.9030 2119.9932 1484.0209 1612.7498 Benzoic acid Benzoic acid 53022.3227 68058.3527 67961.7712 26131.2403 30303.2974 84327.0834 103650.7842 93890.3607 98683.7292 100779.6795 Benzoic acid_ 4-[[(2_4-diamino-7_8-dihydro-7-oxo-6-pteridinyl)methyl]methylamino]-_ methyl ester 1790.6290 2213.3890 2820.9090 1514.3131 3341.5028 2123.2307 3548.4597 2607.0015 1876.6901 1981.7874 Benzoylhypaconine 3989.4839 4415.5952 3012.6869 6395.3339 3002.8699 6530.5463 10566.0086 7151.7333 10638.6588 6099.8413 Benzoyl-phe-Ala-arg 7480.3645 10268.3003 11191.3775 13657.2886 8618.5805 13737.4515 8592.3666 6868.1648 18924.6299 15241.7594 Benzyl alcohol Benzyl alcohol 55058.6509 54957.4777 52877.4623 40689.5209 44312.8848 27258.6742 53994.0274 61982.0245 48836.0425 59181.9309 Benzylphosphonic acid 7662.6708 6435.9975 8004.0497 6566.4858 7630.1367 2282.7895 4413.5494 6493.9534 6657.1196 6018.6159 Bestatin Bestatin 226.3144 986.5529 3281.0103 1612.7070 59.1170 2592.5287 2770.1712 746.8578 756.8460 976.6243 .beta.-carboline-1-propionic acid 90483.8616 42875.8777 56044.0127 104497.2081 63772.6341 43956.7086 49377.8462 59160.8468 53892.0223 47959.2769 .beta.-chloro-d-alanine 34623.1922 35798.0958 28317.9086 25510.9824 32974.0438 34585.8837 22234.4822 25132.6195 22027.6647 23753.6251 Beta-estradiol beta-Estradiol 2814.5719 539.9421 2684.5527 667.0755 1302.9433 2551.6561 928.5454 2919.3052 3469.6770 3736.0114 .beta.-estradiol 17-valerate 244778.8251 257709.3475 245133.2984 221416.8563 264523.0465 179419.7378 211074.3193 236341.8307 233322.2325 276641.9703 .beta.-homoproline 4643.4683 14559.3337 28417.8919 2053.0367 2854.7218 50210.7485 37154.5280 13355.7785 14674.2246 17128.7260 Beta-hydroxybutyrate 3-Hydroxybutyric acid 236821.6626 272553.2839 267094.9001 228944.4475 262869.1227 258690.6151 263664.9147 294429.1601 284737.4312 308934.8135 Betaine Betaine 3800103.2200 2422833.4280 1421872.9160 7224000.1340 6980716.4870 2179266.6850 832085.9183 3050924.4690 2740229.2370 2819688.3360 .beta.-nicotinamide adenine dinucleotide phosphate NADP 58663.3691 62448.3042 64014.0271 62759.0057 79888.8868 55971.7268 60667.2432 68663.6773 78520.6671 71690.1480 .beta.-nicotinamide adenine dinucleotide_ reduced(NADH) 99977.9113 83975.1599 51184.5623 67498.5732 68529.1372 23409.8784 12117.3350 9770.9485 13459.6519 42802.1462 beta-Nicotinamide D-ribonucleotide 150.7959 95.6153 310.6424 93.4538 24.1622 92.7323 206.9026 181.8642 244.4765 113.9778 Bicuculline 7429.7739 4485.9847 7309.8230 5056.3677 3439.6170 17943.0342 11026.9206 10027.7121 9522.6981 6896.4389 Bifenthrin 32896.4269 37185.6126 42745.7623 29599.8936 40605.6711 28662.0653 34842.0732 32792.4753 36426.1787 43812.0788 Bilirubin Bilirubin 4748.7261 7136.6045 4493.2784 5218.6403 7675.1233 5994.2205 5042.9320 5290.1270 5407.1492 5601.6768 Biliverdin Biliverdin 12602.0454 10852.2161 11953.9271 2133.7746 2506.5136 5571.1369 12773.1477 12449.1418 11308.1992 12155.7425 Biopterin Biopterin 68240.8170 170406.1581 314653.0514 12408.2018 44991.6946 156193.8215 229298.7473 167289.2744 166578.4605 181654.7527 Bis(2_2_6_6-tetramethyl-4-piperidyl) sebacate 2502.0171 5127.8256 3852.0333 1718.3222 4641.6346 6430.4348 8429.4555 7553.5107 15139.1853 6793.1247 Blood group a trisaccharide 8274.8056 10262.7832 9481.4848 9191.9389 10573.7269 7594.9358 7258.3556 8857.3743 8832.8440 10454.5617 Blood group h disaccharide 14142.8498 4230.8388 2129.5699 15637.3160 14478.3356 3868.5372 1732.8596 5756.9807 5572.7608 6931.1456 Blood group h trisaccharide 3690.8088 3865.1954 5923.3197 3828.0621 5122.0961 3602.1882 3983.4165 4906.5350 6162.2610 7510.4671 Bombesin 24983.1888 10115.9055 16765.5825 29375.4032 21102.8286 11947.3343 53015.2804 23510.5518 39829.7590 11878.2192 Bosutinib 4554.8150 3673.4879 4578.9723 2061.6897 4923.8232 4714.1447 5083.8687 5977.7200 7163.0380 7611.1127 Brompheniramine Brompheniramine 5558.3118 5046.1526 4234.4336 6175.2798 6479.7366 3363.6519 5114.4450 5881.4429 6217.5112 3803.3074 Bulleyaconi cine a 7411.4220 5533.1542 4804.9708 5524.9058 3075.8701 9405.3357 15927.9413 8773.9198 8725.2622 8792.6394 Butafenacil 1198.3988 2253.6637 2043.5098 858.0324 656.1143 3254.1254 5603.5315 5813.5979 2052.5862 3845.1954 Butyl 4-hydroxybenzoate 90608.9630 88939.6475 92842.5433 79878.9779 77819.8879 96545.0979 87653.6707 89113.9898 64939.7342 91172.0423 C17-sphinganine C17 Sphinganine 137941.2334 218413.6911 133568.1453 149025.6330 191424.3697 98769.6605 104020.5481 105811.0679 141287.6997 134257.5554 Cabergoline Cabergoline 41407.4681 45003.2849 42494.7960 39417.8177 40194.3548 58701.8257 66077.3727 70574.4101 83838.0279 74709.7008 Caffeine Caffeine 20919.0535 17807.4182 17245.2904 19190.5505 18251.0787 40105.5107 50178.8428 53380.9826 52900.0792 3599.0480 Candesartan cilexetil Candesartan cilexetil 2153.3129 803.9461 713.7727 10173.7221 7332.5651 7876.7431 2251.7113 555.9051 685.4484 369.1763 Capsaicin Capsaicin 16002.9955 19135.6744 19113.5706 15315.1812 21075.4849 13353.2778 11691.4277 12949.7467 16495.6705 18341.9719 Captopril Captopril 324906.6916 339580.7497 288962.2089 359742.5881 323066.9654 329919.5069 361587.4980 467880.5640 412453.6259 449054.7016 Carnitine Carnitine 39592.2104 60234.6310 37179.2749 36480.9512 44905.7924 57808.2698 63100.1431 74362.1561 78307.3940 123098.6120 Catechin pentaacetate 6483.7199 7720.3269 9583.6976 4995.6463 6246.6333 6897.7101 6131.2742 7979.3538 8329.1873 10739.2181 Celastrol Celastrol 12805.9192 5414.7228 6783.6884 8132.7029 6010.8829 4917.3482 13882.1134 5488.8087 4260.5154 6955.7666 Cellobiose Cellobiose 390857.1615 428532.1520 453597.1651 442775.9824 499639.1552 218362.9169 128033.7631 232753.4142 229308.1591 246868.9518 Cephalothin Cefalotin 5127.4652 5087.2503 8351.5980 918.0255 1553.8697 6067.1914 6256.6844 8186.5364 5129.8670 6235.3364 Cer(d12:0_18:0+O)+H Cer 12:0;O2/18:0;O* 13863192.7000 14237018.7500 10861753.8400 8591769.2160 9945680.7120 16238080.3900 12808995.1100 11911782.3100 8419391.0730 11639663.3000 Cer(d12:0_20:3)+H Cer 12:0;O2/20:3* 3893301.8680 4295658.6980 7344962.6700 4859800.1710 4115188.9670 5185688.9290 4452592.0890 7009432.4200 5902749.6410 3646754.7590 Cer(d14:0_18:0+O)+H Cer 14:0;O2/18:0;O 4595625.1080 4920944.3850 4299767.7690 3254474.7580 2595479.9090 5211040.0960 5484110.9140 5246403.4940 3705714.6250 3591491.8850 Cer(d16:0_16:0)+H Cer 16:0;O2/16:0 1849680102 1689768127 1626257801 1801855544 877794541.9000 1364019366 1956685212 1927966251 2500012674 1286052228 Cer(d16:0_17:0+O)+H Cer 16:0;O2/17:0;O 1343835.8060 855499.5165 793458.9503 483023.0864 1380335.5910 1307025.3460 2658520.1340 1492272.0020 1152826.6990 946232.7453 Cer(d16:0_18:0+O)+H Cer 16:0;O2/18:0;O 43881996.1800 49973093.5200 36695631.5800 47761668.5800 35601503.4300 65217206.4300 64785958.2100 67459201.2200 42173112.1500 39969387.5800 Cer(d16:0_18:1)+H Cer 16:0;O2/18:1 52115157.9000 35750950.4400 39243407.6300 41195808.1300 39072996.8200 48971167.3300 48798744.7700 54667470.4300 43792963.5900 44650884.8600 Cer(d16:0_18:2)+H Cer 16:0;O2/18:2 4189311.9660 3944178.5560 3278717.6180 4118352.3580 2732695.1670 4729721.7280 7012534.8040 4477646.1920 3689110.1730 3667280.8130 Cer(d16:0_20:0+O)+H Cer 16:0;O2/20:0;O 38613010.6300 32956147.9600 30660172.1400 33421459.9700 24877714.6400 53460431.2800 32758961.3900 51714168.5700 35758561.4900 33807729.9900 Cer(d17:1_22:0)+H Cer 17:1;O2/22:0 8196452.3260 8772050.0660 6911668.1910 7846754.9620 8077003.7880 9267739.2500 8181720.6370 7846606.4980 8657477.6990 6032492.1940 Cer(d17:1_23:3)+H Cer 17:1;O2/23:3* 92690075.9100 90680407.1300 88568112.5900 91032987.7000 88620738.1600 79932552.9700 86255991.1600 89572627.6900 107090296.9000 73120961.9500 Cer(d17:1_24:0+O)+H Cer 17:1;O2/24:0;O 10676099.8000 9699781.3770 9685459.0060 10288050.9000 11805574.3500 14569002.9700 9754499.1460 11909681.0200 15916192.9000 8436785.2330 Cer(d18:0_16:0)+H Cer 18:0;O2/16:0 36374554.7000 34087128.0800 31491333.6600 27972740.3800 44466368.1000 35725457.6100 29880848.0900 45576166.7100 36511435.6300 26090183.0500 Cer(d18:0_19:0)+H Cer 18:0;O2/19:0 5344081.3630 8262826.6990 5780183.6030 7287518.3660 6534080.9020 6972807.4240 6574613.7290 8163489.0890 9544377.4790 6810543.8990 Cer(d18:0_22:0)+H Cer 18:0;O2/22:0 36788347.8800 45646764.2900 37558166.0900 35977062.6900 40365821.2400 33075181.2400 30028978.9100 52753133.2200 36701191.4300 27342894.2100 Cer(d18:0_24:0)+H Cer 18:0;O2/24:0 49413518.6700 54836134.3600 44188748.2400 53163397.5800 48979246.6600 52617153.3300 53062251.5300 66892519.7900 61179564.9400 44850623.5300 Cer(d18:0_24:1)+H Cer 18:0;O2/24:1 46457922.4300 43411490.2300 43458892.0700 38767287.5400 43179882.8900 51919978.0100 39712107.0300 56188482.4800 58574424.0600 35076934.4700 Cer(d18:0_25:0)+H Cer 18:0;O2/25:0 5206784.7230 5744298.4970 9287559.7850 8842244.1880 5594728.5700 3821802.6750 6170210.9050 5391659.1850 3396035.5860 3829454.4320 Cer(d18:1_16:0)+H Cer 18:1;O2/16:0 7617936.1360 11344751.7200 8283636.8590 8339494.6220 9369203.9310 19687099.4600 15927600.1700 22107781.8500 25358623.5200 14627424.0100 Cer(d18:1_16:1)+H Cer 18:1;O2/16:1 14901476.4400 16622672.7500 10452888.4500 15779800.1100 15467914.1900 28121528.4200 24005008.4000 29982873.4200 34044276.0200 18166175.8200 Cer(d18:1_22:0)+H Cer 18:1;O2/22:0 74621071.0300 29191453.7300 74381181.8500 80177794.4400 33618709.3700 59603537.5700 74650282.8900 51687753.5600 124201349.3000 95097834.1100 Cer(d18:1_22:2)+H Cer 18:1;O2/22:2 21843931.6500 24773552.3100 20906251.2200 24433505.5300 25748961.2000 21079335.1500 25030092.4300 26362775.7800 29227434.5700 20234644.3500 Cer(d18:1_23:2)+H Cer 18:1;O2/23:2 7351752.5580 6112204.1240 4823148.2700 6044865.2280 5756932.0990 9516774.7680 8065166.4130 9486473.4600 9195486.2210 5513811.5150 Cer(d18:1_23:3)+H Cer 18:1;O2/23:3* 101604304.2000 101849600.6000 92621855.1700 91311784.2100 88346996.7400 109138839 115874463.5000 121729494.8000 145607683.3000 89576731.3500 Cer(d18:1_24:0)+H Cer 18:1;O2/24:0 54075168.7100 58466765.0200 65192367.5500 49677149.2600 62654597.1000 94196516.2700 81148489.5100 105040974.1000 114030939.1000 69960157.1500 Cer(d18:1_24:0+O)+H Cer 18:1;O2/24:0;O 14719256.8600 14954557.2000 12872177.6900 12572305.5800 11932725.0100 14730147.6300 15836270.6800 12571179.8100 20142963.5200 11808898.7700 Cer(d18:1_24:1)+H Cer 18:1;O2/24:1 17411350.5900 13446771.5200 16057028.5700 12347583.8300 13940997.0800 32465213.1500 34073241.1000 41549228.3800 49014497.8300 32746565.1900 Cer(d18:1_24:2)+H Cer 18:1;O2/24:2 69647364.9900 78466345.0400 65460563.9000 75109604.3300 71436451.4700 66315761.3700 63825388.2600 86871516.7000 86039222.8800 59025410.6100 Cer(d18:1_25:3)+H Cer 18:1;O2/25:3* 8024805.9880 8344486.9350 7755174.4600 7798506.4780 8797685.3390 13035193.8700 10771153.5900 8686589.3890 11540345.5600 8236049.5190 Cer(d18:1_26:4)+H Cer 18:1;O2/26:4 17284196.9700 15984613.9600 15161590.8400 15493405.3600 17197703.5600 16594112.7500 17323431.0900 18151257.8400 23598680.8300 14345504.7100 Cer(d18:1_26:5)+H Cer 18:1;O2/26:5 298475152.5000 328138273.2000 271538439.1000 349510264.4000 343612493.8000 373988610.6000 384091183 421504791.3000 386217980.5000 325681616.1000 Cer(d18:2_16:0+2O)+NH4 Cer 18:2;O2/16:0;O2* 1187926.8380 53406818.5800 10165420.8400 18279089.3900 2585292.6770 1140152.8920 7843540.2760 3511390.4090 24153138.1100 7360965.4720 Cer(d18:2_16:1+2O)+NH4 Cer 18:2;O2/16:1;O2* 359653505.4000 349891688.7000 342323354.5000 332111927.9000 388822468 470219735.2000 372675706.3000 484045450.9000 534416909.9000 327961165.4000 Cer(d18:2_16:1)+H Cer 18:2;O2/16:1 8683839.1610 8277075.4940 7447253.3810 7594760.3520 8474426.0320 4615077.2580 8724927.5300 9647005.4210 10750156.6900 8354165.3350 Cer(d18:2_18:1+2O)+NH4 Cer 18:2;O2/18:1;O2* 182899023.2000 201963205 173452553.7000 187589786.4000 184462418.6000 226583933.8000 201144049.5000 230519894.7000 257566488.7000 173020743.1000 Cer(d18:2_18:2+2O)+NH4 Cer 18:2;O2/18:2;O2* 174263613.1000 178101484.7000 153731545.1000 168698065.5000 191422115 243275898.5000 210250668.7000 253167605.4000 278314349.8000 195453007.9000 Cer(d18:2_22:0)+H Cer 18:2;O2/22:0 20963072.7600 22580739.6800 18669787.6100 19851860.6600 21219745.5400 23972177.2700 26679233.9200 27301219.6000 33234231.1400 22673093.2400 Cer(d18:2_24:1)+H Cer 18:2;O2/24:1 21850202.1800 16970208.7200 17552923.7200 18525690.9900 22702645.9300 31799134.9000 26952443.4600 30414078.3500 36187484.9900 23721177.2000 Cer(d19:1_23:3)+H Cer 19:1;O2/23:3* 273674402.3000 315131463.6000 252568961 314292850 312808747.2000 282801817.4000 316058985 293115341.9000 374045687.3000 251485094.2000 Cer(d19:2_24:1)+H Cer 19:2;O2/24:1 19523315.7900 20032930.5600 16525423.8400 19198009.0400 17569220.8300 17584794.0900 16887295.6700 22036152.6100 22198392.9200 16637046.6200 Cer(d20:0_18:0)+H Cer 20:0;O2/18:0 361346404.7000 237082674.7000 337753237.5000 382240125.1000 180710430.8000 265523843.5000 436613549.4000 462043575.8000 549948281.6000 421093277.8000 Cer(d20:0_24:0)+H Cer 20:0;O2/24:0 33084039.7900 33311615.4100 29674107.4400 30005470.6200 26814831.4700 20003149.8300 17335774.3000 25702141.7800 22044830.8000 17483538.9000 Cer(d20:1_24:0)+H Cer 20:1;O2/24:0 10449469.9300 10571351.9000 10418921.1600 10993518.5800 12542995.6700 6659795.1040 5713743.8120 6650048.6670 10019534.8900 7273876.5130 Cer(d20:1_24:1)+H Cer 20:1;O2/24:1 11129636.8500 12130857.2900 10547158.3100 11772749.8900 10423200.1800 9547070.4760 9629154.9770 9910108.7960 12484846.3000 8737008.8800 Cer(d20:2_16:0+2O)+NH4 Cer 20:2;O2/16:0;O2* 37263029.7600 20316594.9600 40563225.1200 37738026.0900 41485371.5100 28353413.8900 22007917.7500 32457517.3200 41561117.7000 25628675.8000 Cer(d20:2_16:1+2O)+NH4 Cer 20:2;O2/16:1;O2* 40644371.1300 44178584.1300 48109102.3700 54023402.8600 45589424.4100 61242850.6700 43038724.5300 63064203.3800 64563331.7500 45636328.5400 Cer(d20:2_18:2+2O)+NH4 Cer 20:2;O2/18:2;O2* 17717154.3700 20135846.1100 18565978.5000 18984682.8200 16448780.5900 20746928.3100 15526472.1100 17504949.2500 20847524.2600 15692107.7000 Cer(d20:2_26:0)+H Cer 20:2;O2/26:0 4260863.8470 3398151.1850 2888700.8460 3542248.2800 2159739.2540 3149969.4910 2618466.3200 3316209.2520 3656525.3840 2876006.0080 Cer(d22:1_16:0)+H Cer 22:1;O2/16:0 32113401.0300 18522084.0900 29376849.5700 31586695.0200 9912152.3200 21879717.0200 40555923.2500 36028256.9900 46960928.9400 37147038.4600 Cer(d23:2_18:0+2O)+H Cer 23:2;O2/18:0;O2* 10300023.1800 12580431.6800 13174370.4500 10946445.7900 10851283.9300 11281871.5200 12033865.4200 13012628.7600 12091110.6300 10791072.4800 Cer(d24:0_18:0+2O)+H Cer 24:0;O2/18:0;O2* 6847511.0010 7382966.3560 4555152.5080 7506216.6420 5755593.4150 10379454.4700 8167095.9260 5630741.4180 6695840.5430 5384151.3270 Cer(d26:0)+H Cer 26:0;O2 1996823.4070 2015341.6450 1955084.0440 2074811.6080 1114607.2220 1649570.3550 2462601.6950 1788766.3880 2013604.9700 1684567.6070 Cer(d28:0)+H Cer 28:0;O2 118624595.1000 113250240.8000 87102530.1400 80662066.3500 88534914.5200 140261330.4000 139495584 159731312.3000 102821385.7000 91415115.6100 Cer(d30:0)+H Cer 30:0;O2 151297469 135103376.2000 137620351.5000 120264887.2000 90608714.6700 136146297.4000 243315650.3000 192805862.4000 199546318.8000 118944219.9000 Cer(d30:1)+H Cer 30:1;O2 2466937.4670 2719589.4930 1690252.5800 1572219.6430 2000607.5000 3586198.6590 2697448.6420 2630566.9570 1435201.0740 1793884.0540 Cer(d31:0)+H Cer 31:0;O2 9140858.8080 4519313.0050 5103144.0320 5179835.5910 3690857.1390 7536622.2570 12500068.0900 7481356.3570 10102157.6000 4133579.2610 Cer(d32:1)+H Cer 32:1;O2 5546706.0630 4547606.5500 3246330.7330 4538195.1770 3649014.5600 6118062.0520 6350483.4760 5483799.8900 3981944.5600 3765085.6740 Cer(d32:1)+H-H2O Cer 32:1;O2 21016119.2500 18364237.9600 16922697.6500 16893457.0800 21920689.9100 23600395.9800 12976898.3100 23630172.2000 26173848.8600 15047862.9600 Cer(d33:0)+H Cer 33:0;O2 15801672.4000 18905143.0100 11684968 10259038.9800 6891861.5990 28646759.7900 12694403.6800 15762626.8200 19260077 10932286.3500 Cer(d33:1)+H-H2O Cer 33:1;O2 9954574.2050 14099566.1100 11936578.6800 13514073.6800 10911717.9900 15668674.3500 13757814.6700 15872611.2300 17673126.6100 11350525.4800 Cer(d33:4+O)+H Cer 33:4;O3 22327639.1300 23899348.5500 27232719.7400 20450724.8500 13878563.9000 24852486.5500 39110804.1800 25625837.8000 21949880.1400 20895894.5200 Cer(d34:2)+H-H2O Cer 34:2;O2 19513130.2200 26812787.2500 15058783.2900 21472639.6400 17471023.3600 23940499.4300 24777786.0100 30108048.8200 42805479.1100 28727509.0100 Cer(d36:0)+H Cer 36:0;O2 302786672.7000 220075324.2000 290246019.5000 288857538.9000 169660170.8000 284623444.2000 366955050.3000 395083062.4000 411125978.1000 318309353.4000 Cer(d36:1)+H-H2O Cer 36:1;O2 11559613.5900 8062892.1110 9007353.2460 8989365.1110 9845290.6110 11652008.8200 10875782.0300 9833545.7980 14569961.5500 15359766.4200 Cer(d36:2)+H-H2O Cer 36:2;O2 26440939.6000 30181190.8700 27001006.7100 26296667.4200 24733839.8200 20175908.5500 16053497.3700 20773345.2100 20550474.4700 14896369.0800 Cer(d36:3+2O)+NH4 Cer 36:3;O4* 1241554.1100 87971.3136 3499165.2630 1936523.9380 3122184.6930 2345933.3960 508476.0651 2807072.2810 6730857.4870 5443939.3810 Cer(d36:4)+H Cer 36:4;O2 1176761.5460 882050.7629 911716.0132 976127.5433 781019.9807 1105100.9450 1461656.0580 1095812.1330 728903.1402 759992.6708 Cer(d38:3+2O)+NH4 Cer 38:3;O4* 10571520.5800 5329563.5020 4584411.4290 6081426.2970 7647033.1340 11200885.6000 11684211.5200 16123322.2500 9220633.4250 10869694.1500 Cer(d43:4)+H Cer 43:4;O2 5062866.5830 6851706.6780 2361642.1730 246215080 113343574.8000 10653004.3300 107331997.1000 4472011.9380 110213441.6000 2086565.0450 Cer(d43:5)+H Cer 43:5;O2 5620656.1570 7371732.8580 6327184.9140 5807596.2450 6434237.4490 6346098.8030 7453979.3130 8619649.1680 11052295.3600 4851192.9400 Cer(d44:2)+H-H2O Cer 44:2;O2 23685087.7700 16632684.8000 23510117.9900 27545800.5600 12905934.7500 24850752.5300 24990775.7400 26476379.4100 22612403.5900 13159507.1000 Cer(d44:5)+H Cer 44:5;O2 633218726.1000 593002361.9000 468470633.6000 582254790.8000 442417684.8000 554289783.1000 523844425.9000 639262112 797492879.7000 499108744.8000 Cer(d45:6)+H Cer 45:6;O2 15026352.6700 13952112.3100 12308985.7800 13091613.7600 13497954.2500 21146600.1800 18841438.6200 21407305.8100 25106361.3700 16029210.5500 Cer(d45:7)+H-H2O Cer 45:7;O2* 5401656.1150 6208639.4130 5524577.7800 6048049.2110 5612974.0810 5791250.8880 4058904.9710 6913287.2600 6913265.6730 4384603.9550 Cer(d46:5)+H Cer 46:5;O2 2785956.2850 14394003.1100 8618973.8920 616273130.2000 68826252.8900 73983196.5000 228608713.1000 75743932.0700 92832485.3400 102330801.1000 Cer(d46:6)+H Cer 46:6;O2 15271369.9100 18615398.4800 15105934.4200 17712988.1500 16537876.3500 15907826.1300 18969123.1600 17806422.4100 21968425.5400 16290605.6300 CerG2GNAc1(d34:1)+H 186448938.1000 181745578 142747698.2000 143948853.5000 167351495.2000 136844008.4000 103462065 128644685.6000 237292147.8000 80504091.7200 CerG2GNAc1(d40:1)+H 77663123.8700 67051868.7200 63419831.0600 57987149.8300 61516327.3400 57631892.7900 36098347.9800 48371342.0800 56996532.1900 34518706.3400 CerG2GNAc1(d41:1)+H 24305609.3100 19609015.1700 18903329.9900 19465553.6100 15672477.3100 8648963.8490 20237260.2000 13844115.9000 14617781.7200 10996791.1800 CerG2GNAc1(d42:0)+H 11762512.9800 10093928.1200 8887206.8800 7885033.5090 7709498.3170 3779420.3980 4594799.5780 6766383.4750 4915266.3560 3689573.3490 CerG2GNAc1(d42:1)+H 264213729.5000 250307330.1000 210717603.6000 220861936.2000 225882697.6000 174661547.1000 171437019.6000 176182766.8000 214721272.3000 155746308.3000 CerG2GNAc1(d42:2)+H 258250889.9000 182078406.5000 171782218.8000 165009973.4000 204663868.4000 205237503.7000 144746415.5000 162890400.5000 206505287.2000 127966888.9000 CerG2GNAc1(d44:1)+H 12796686.0700 12835620.5000 10728330.5700 11483961.2900 10946692.3100 6501544.1780 5888808.2210 5435542.6590 6896626.4200 4768046.0600 CerG2GNAc1(d44:2)+H 17098633.0500 17769749.8000 14838477.7400 15069353.0700 16747012.2100 11904859.7500 12184505.5200 18325981.4600 15314182.9000 11814794.4200 CerG2GNAc1(m40:2)+H 17652330.6900 13643900.1900 14644906.4200 11352563.1500 12630111.3900 45521513.4800 9765373.2090 10775495.3200 59800706.5700 40975495.3600 CerG2GNAc1(m42:0+O)+H 37947328.3200 15376939.3600 13843301.1900 13253191.1200 13584662 39595963.0200 47192141.5600 54579063.2500 60981655.2300 40072568.5000 CerG2GNAc1(m42:2)+H 166500695.2000 57396289.6000 47124304.7800 46885449.2500 44728018.4700 69123994.0400 221998118.9000 318303961.4000 34351753.6800 188676460.4000 CerG2GNAc1(m42:3)+H 49964222.9900 69871931.7600 52251642.8600 39462163.0800 37098612.2700 31042569.8000 84848848.3000 115572049.6000 119160804.3000 16294763 CerG2GNAc1(t34:0)+H-H2O 151413340.4000 133994469.7000 105717373.7000 104954176.6000 135025364.1000 113927073.3000 84710692.2200 104184627.7000 143405365.1000 65934829.2600 CerG2GNAc1(t41:0)+H-H2O 25244586.8000 19565427.5100 18807500.5300 19262402.3800 15703250.8900 8724387.2450 19320850.3400 13854491.9600 14607807.6500 10941851.3000 CerG3GNAc1(d32:1)+H 1713760.9300 1953052.1950 1813930.3590 1740364.4280 1689733.3760 1793425.4450 3461224.5160 2505066.4050 2982642.6570 1753364.6750 CerG3GNAc1(d34:2)+H 5472164.6150 4181733.6420 3956751.4900 3951224.5670 4770515.3590 6072165.0110 7280674.8730 7767224.8160 7944015.5060 4746242.3250 CerG3GNAc1(d40:1)+H 60673274.4900 48041652.3000 42037089.5100 40216858.2000 50584521.2700 56415619.5400 54024325.1900 60899935.3000 69983446.3400 46852828.3000 CerG3GNAc1(d42:2)+H 177689888.6000 155121553.1000 150717636.2000 142244254.9000 172119268.3000 196569285.7000 184479990 220295160.5000 260798635.1000 187956828.8000 CerG3GNAc1(d44:1)+H 17519957.2200 13650566.7500 10829097.7700 10092723.7000 12025957.8300 16131252.4500 14659753.8100 18435923.8900 16690334.4400 13633312.9900 CerG3GNAc1(m42:2)+H 26396344.3800 20664895.3200 18255815.5600 19162777.1000 20077664.5300 27859865.9100 28202104.6200 32709127.9400 34989166.5700 24057146.2800 CerG3GNAc1(m42:3)+H 15155411 12676098.4600 12493977.2400 13569689.3000 14627970.4000 16011084.8300 16416960.6300 15839671.7600 21745684.1100 17025861.3600 CerG3GNAc1(t32:0)+H-H2O 1725428.0860 1959563.3330 1815755.1130 1749982.0300 1698552.5460 1808127.5960 3465590.5880 2629785.7880 2990308.4080 1762455.7290 CerG3GNAc1(t33:0)+H-H2O 1342710.4970 3486918.5070 1947121.6090 1001123.3460 279914.7573 821417.5802 3244133.3680 1484773.1260 2835922.4890 956552.9678 CerG3GNAc1(t34:0)+H-H2O 112447351.6000 108975471.6000 94374431.8900 88690966.7900 113802456.7000 154383269 113981170.5000 174168083.3000 188043332.2000 121181662.7000 CerG3GNAc1(t34:0+O)+H-H2O 2716736.0520 2985937.0560 3555763.7310 1779281.8050 2154977.8700 1342073.6460 2680444.3260 4287222.7230 5324013.8580 2786870.2270 CerG3GNAc1(t34:1)+H-H2O 4963219.6270 4181587.6360 3955121.7250 3950109.1530 5087104.6310 6086708.5580 7279782.3140 6872986.2510 7948852.7820 4745742.4760 CerG3GNAc1(t40:0)+H-H2O 60663348.8600 48040646.9400 42047744.1500 40221280.6300 50584846.1300 56417050.9600 54033502.7500 60903886.4800 69984157.0800 46848201.6600 CerG3GNAc1(t41:0)+H-H2O 13748508.3800 14137890.0200 7993316.6990 8421746.7720 11880216.6500 13257330.9600 12537684.8200 16534242.2200 16219921.3900 10352420.8400 CerG3GNAc1(t42:0)+H-H2O 263719939.2000 220034397.3000 192372506.4000 181604342.3000 209703390.1000 297107772.5000 280834395.6000 337028772 358392491.4000 244779053 CerG3GNAc1(t42:1)+H-H2O 65492621.1600 23786005.1300 38863951.5500 154237549 70194113.4800 6799873.1520 42800032.4900 14552007.9100 200447077 404530944 Cer(m17:0_21:2)+H Cer 17:0;O/21:2* 398327982.4000 396166788.7000 371206678.2000 359900717.4000 370544891.4000 461365760.8000 427705300.1000 417639118.5000 539564918.8000 379259975.9000 Cer(m17:0_21:3)+H Cer 17:0;O/21:3* 16931285.4200 76616536.8400 12883781.3600 11182370.9100 2966344.1760 4619308.4660 17582719.8100 6268000.2150 8709217.0680 57115672.6600 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33646071.6600 37367135.6900 46094734.1700 27725257.4700 Cer(m18:0_18:0)+H Cer 18:0;O/18:0 17464959.3500 18895751.5700 15011124.9400 17317751.8500 19508400.7500 14823527.1000 14779069.5400 16664551.0700 18390255.6100 13932536.1000 Cer(m18:0_20:0)+H Cer 18:0;O/20:0 13350529.7000 14036822.1200 13611734.9900 14871466.2100 12546459.2300 10752732.0100 9892832.4510 10305575.9000 12959750.3500 8804197.0790 Cer(m18:0_21:2)+H Cer 18:0;O/21:2* 269585171.6000 255981898.8000 235928897 234108333 220805831.4000 283826798.5000 266622984.2000 276521354.6000 341532738.4000 214193109.2000 Cer(m18:0_22:0)+H Cer 18:0;O/22:0 91483625.5300 104731047.8000 92122204.1700 95303116.3200 90022916.8800 103325490.1000 84733930.6700 95038764.3100 102378346.9000 69009579.9700 Cer(m18:1_16:0)+H Cer 18:1;O/16:0 8807223.3780 18966495.6100 14263480.7100 11989481.6600 12565797.0100 9343556.0200 10115635.3700 16962174.4300 10668047.9200 9119627.0430 Cer(m18:1_18:0)+H Cer 18:1;O/18:0 8478629.8130 7093327.0010 6016969.0340 7090639.1450 8769743.4840 6547426.9500 9699070.7220 9749021.8170 12974076.1300 8811073.8850 Cer(m18:1_20:0)+H Cer 18:1;O/20:0 16712274.1900 17572115.6300 16046774.6000 15512688.9400 17750497.4000 19809013.6200 21961642.9000 23710073.9500 23727818.4600 18461388.1400 Cer(m18:1_22:0)+H Cer 18:1;O/22:0 12163722.9000 17036991 13638169.7000 12863021.4200 14453705.7700 12149546.3600 12404639.0200 17820840.8700 14704221.3000 8493396.1030 Cer(m18:1_24:0)+H Cer 18:1;O/24:0 11797708.8000 13696639.4100 12958258.7700 17719935.0600 9228811.4520 8987673.6310 10071442.2900 13446998.2600 12778745.5000 7936861.2310 Cer(m18:1_24:0+O)+NH4 Cer 18:1;O/24:0;O* 21007030.5700 24864732.8100 24106842.1600 23875731.3700 22725998.3000 18341813.7700 26935473.4500 21904199.4200 28569736.0800 24284693.9000 Cer(m18:1_25:0+O)+NH4 Cer 18:1;O/25:0;O* 14782435.0200 15228404.2200 13025816.3500 13795615.6100 11685530.0300 13569889.5100 12454692.7300 13524399.2800 17611785.7900 9288883.2730 Cer(m18:1_26:0+O)+NH4 Cer 18:1;O/26:0;O 61567945.2800 80515077.6700 64914508.9700 73685903.2900 55231809.8800 56748483.5400 66265767.1700 60990723.7700 68796653.0400 53281449.4500 Cer(m19:0_18:2)+H Cer 19:0;O/18:2* 52773973.6200 36834645.3600 36229584.3200 37620493.6800 40601093.4400 61198635.9100 49290277.3800 56162762.9700 69399250.1700 45341071.1300 Cer(m19:0_21:2)+H Cer 19:0;O/21:2 151991806.6000 150043400.7000 126466311.2000 138147644.1000 138201760.7000 171251739.1000 152320008.8000 174823742 181923797.7000 137553866.9000 Cer(m19:0_21:3)+H Cer 19:0;O/21:3* 3213334.1990 476666.6366 9049257.4220 609178.9895 1685184.6060 4594996.1050 7911770.8730 18019266.0700 16562961.2100 9459517.9270 Cer(m19:0_22:2)+H Cer 19:0;O/22:2 75349016.4200 80985635.7500 70477848.7800 71511539.2400 68444999.4600 84117817.9800 81527428.6100 91370089.4700 111737444.7000 67163082.0800 Cer(m19:0_22:3)+H Cer 19:0;O/22:3* 24051390.7400 25861362.0500 19033037.7800 23589375.6400 22279709.0700 42290309.8500 36602805.2400 36337296.1200 49956757.5600 31700820.7200 Cer(m19:0_23:2)+H Cer 19:0;O/23:2 845568618 817987321.5000 753498180.6000 767805198.1000 703065848.4000 1121514426 1011515613 1122990566 1193494283 789187630.8000 Cer(m19:0_23:3)+H Cer 19:0;O/23:3 235323336 215688567.1000 217598082.2000 231421383.8000 265311834.3000 535780958.8000 479587376 608615968.5000 601088719.6000 422930985.3000 Cer(m19:0_24:0)+H Cer 19:0;O/24:0 5193657.6960 8664053.3090 7421636.7300 7535390.1530 4580906.8800 5146212.3080 9479817.2420 6802229.2090 8060327.8640 8212190.3950 Cer(m19:0_24:2)+H Cer 19:0;O/24:2* 25500259 15365366.3100 11392636.6700 14432459.7700 20297694 48498287.9900 29057056.9200 38952243.2100 40558851.6600 23824427.4800 Cer(m19:0_24:3)+H Cer 19:0;O/24:3* 11063401.6400 12062878.6300 11765999.4400 12123790.5600 10477651.6500 19154648.1600 17510004.2700 16799914.1100 23150808.3200 16615458.4000 Cer(m19:0_25:2)+H Cer 19:0;O/25:2* 599638429.9000 582300482.7000 509580424.3000 546374165.5000 505416528.3000 461615324 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21783200.7200 25015293.9600 39604204.9000 41619393.9700 42565045.3300 49213922.5700 36924551.2600 Cer(m19:1_23:3)+H Cer 19:1;O/23:3* 1091796011 1077436364 1023033507 1054169121 1071851011 1486161528 1375417725 1465862956 1709974113 1231814688 Cer(m19:1_23:4)+H Cer 19:1;O/23:4* 19080954.8300 26134247.5400 27237025.9700 21656938.8400 21530390.0200 43745440.1500 32356081.1900 36215496.7400 40508510.8900 43206477.2600 Cer(m19:1_24:3)+H Cer 19:1;O/24:3* 37598535.9000 33912520.5600 31216131.9300 32357581.0400 30215366.1300 47035298.8200 40255639.6400 46425207.9900 56560153.6800 32110167.3300 Cer(m19:1_25:3)+H Cer 19:1;O/25:3* 68621480.8000 72510969.0300 66532337.4900 72395651.0900 70236031.2300 78622420.7900 82150463.8200 72802062.1000 100509680.6000 67286418.1300 Cer(m20:0_23:3)+H Cer 20:0;O/23:3* 151547751.3000 152017304 140901527.5000 142556182.7000 142334610.9000 174943960.9000 159161814.7000 172083837.5000 202278958.3000 129987835.6000 Cer(m20:0_24:0)+H Cer 20:0;O/24:0* 12383260.1800 10625821.0800 9379189.2910 10974193.1100 10644060.8500 10265444.1600 9124246.6110 12791976.9500 12399296.7600 7256563.1760 Cer(m20:0_24:1)+H Cer 20:0;O/24:1* 9539668.7850 10970969.7100 9015475.3750 10772056.7500 8617191.1190 10845769.0400 10317779.0100 10399263.1800 11891531.7500 7607884.3200 Cer(m20:1_16:1)+H Cer 20:1;O/16:1* 36450366.4900 40366731 35628094.2200 34881583.1400 41998506.0900 36279928.2400 36792243.5400 44333146.2100 54575435.3700 26673140.5400 Cer(m20:1_18:1)+H Cer 20:1;O/18:1* 13537139.0400 6827558.6670 7092573.8800 2007747.4150 4275674.1380 8762684.9760 10290074.5100 14483332.8400 15498766.3100 8917870.2750 Cer(m21:0_23:2)+H Cer 21:0;O/23:2* 44313514.9400 38630029.6300 35415489.1600 35639850.5500 36154534.8900 39723217.1200 31663532.2400 35140277.2300 43917129.6200 27263831.9800 Cer(m21:0_24:2)+H Cer 21:0;O/24:2* 21556838.6200 10365904.8300 5947981.1000 3178713.9430 8781070.4580 7135529.2100 3372122.0870 7439403.4740 6460720.8970 4442135.3310 Cer(m21:0_24:3)+H Cer 21:0;O/24:3* 6683547.1030 6198227.8940 5399721.0800 5216313.9860 5070678.3230 4865392.2010 3882632.0520 4011544.4710 4956873.0710 3845049.6010 Cer(m21:0_25:2)+H Cer 21:0;O/25:2* 14901625.4200 12363151.7800 11380574.6100 9837646.2130 11343184 8731342.8390 8299670.7140 13139622.8300 11389025.0800 8193195.7420 Cer(m33:0)+H-H2O Cer 33:0;O 10649070.5100 11516956.9700 9942315.9000 9601789.5520 8447553.4680 8670383.1970 6893511.8380 7270062.6410 8725689.6920 5707417.7640 Cer(m33:1)+H-H2O Cer 33:1;O* 14109428.8400 10000693.0900 4891718.4120 7261709.1020 7902171.1160 22024033.5000 13336830.9600 12834518.4300 17942811.5100 11483733.9400 Cer(m35:1)+H-H2O Cer 35:1;O* 6301163.7220 5853286.1090 6121673.6970 5575995.5480 5181242.4590 8304620.8400 6767217.2920 7069171.7480 10473318.4800 6941513.3320 Cer(m38:5)+NH4 Cer 38:5;O* 12905165.0500 14568963.7200 19926767.4700 15193933.6800 10803656.5300 17708408.1400 14522022.7500 12681417.5600 19373530.1300 17545636.6200 Cer(m39:1)+H-H2O Cer 39:1;O 7065276.1120 8850320.4240 6965170.4630 6760550.5600 6977370.8990 6964545.3700 5368118.4140 7899399.3210 7499689.4690 4457095.0160 Cer(m41:1)+H-H2O Cer 41:1;O 13599257.6900 12978364.1000 11818176.7200 14080048.9500 10756270.3500 15125994.0200 17256087.3400 19928802.0200 21902462.5400 14309603.4100 Cer(m41:1+O)+Na Cer 41:1;O2 486950088.4000 536226939.4000 458209956.3000 500329360.3000 465584985.5000 513426263.1000 485653992.4000 558046477 706318321.2000 404770687.4000 Cer(m41:2+O)+Na Cer 41:2;O2 304315871.3000 268874926.5000 246594662.3000 262786576.3000 275657111.5000 318001491.2000 337920782.7000 353433620.6000 465639781.3000 248174685.4000 Cer(m45:6)+Na Cer 45:6;O* 91460042.6700 107129471.5000 102852400.9000 108669501.8000 90957002.7600 100373416.2000 52552396.6400 131123438.7000 124601517.1000 94052606.5600 CerP(d12:0_14:0)+H 2666890.7400 2964819.3720 2673305.9770 2586170.8680 3153478.9060 2929011.7510 3581096.6370 3365294.7380 3899940.0290 2414743.4550 CerP(d14:0_13:0)+H CerP 14:0;O2/13:0 9057021.0880 8719577.2880 7891426.0520 6976810.7310 9649774.5430 10043889.6500 10500174.3200 10166318.5100 11045779.0500 6427405.0220 CerP(d23:0_17:1)+H-H2O 19500881.8100 20313906.5300 20248659.6500 25036481.9300 20398018.1700 23898674.4200 30648466.7300 28167483.7000 32414989.6400 19490720.0800 CerP(d39:0+O)+NH4 196553841.7000 182524179.9000 165431579.2000 176359810.7000 200271996.3000 166135364.3000 146394689.3000 205390152.6000 188539571.7000 133302514 CerP(d39:1+O)+NH4 465530865.3000 334262310.7000 480290740.4000 278992442.8000 337236392.4000 431861459.8000 380244707.6000 471207679.6000 530437560 320728267.2000 CerP(d43:1+O)+NH4 275188458.8000 264030939.9000 246781047.5000 244361589.2000 261844543.7000 199493055.1000 175701976.9000 231575712.8000 250455003.8000 146676226.3000 CerP(m19:0_15:0)+H 7664377.0260 7821411.9450 5335259.4920 7086264.5680 6335434.7540 13056266.2800 12562258.2100 19999394.5600 17743049.6000 11605408.4700 CerP(m19:0_19:1)+H 10014127.0300 9149313.6950 9801493.2900 9739209.7290 9397291.9150 10866002.9500 11355436.7200 13315667.8300 14881899.0200 9027555.1400 CerP(m19:0_22:0+O)+H 10618483.2500 12144804.1300 13588088 13814742.7300 10443623.0900 10629187.3000 12930073.9600 16349800.2100 13796152.1000 11194249.3600 CerP(m21:0_17:0)+H 15287829.8100 18269127.0700 14603906.1900 18166823.2000 16369056.5800 14903447.4700 18479207.1900 16160935.3700 20837807 13882692.4500 CerP(m21:0_18:0)+H 134595701.3000 28134337.9300 70657853.6300 80453829.8600 119667247.9000 111046067.6000 50486610.9100 102321384.1000 96729977.5300 47962967.2300 CerP(m21:0_19:1)+H 56536064.2900 62922830.3800 55025440.5900 61770560.8100 76661957.5900 70837940.1600 61742665.5900 77435176.1800 90737309.6500 53622954.7500 CerP(t39:2)+NH4 114176350.3000 140430425.7000 130756962.9000 148361561.7000 132474103.6000 125702169.2000 125519217.6000 133773010.2000 155400145 120038807.2000 CerP(t41:0)+NH4 30218217.2000 24489507.4000 20388773.1100 24098514.0700 24278185.9400 43649052.3500 42011274.9600 35740342.2400 45240983.5300 43033743.2900 CerP(t41:1)+NH4 41012330.6600 33470206.0600 34279850.9000 30221958.7900 37792592.7000 52963819.8200 58221095.9700 44291732.7700 55224407.3300 52679861.9800 CerP(t41:2)+NH4 38585426.4800 38948957.1500 36194624.9400 34512871.5000 36681568.7400 23326272.4600 33912855.6300 25337901.2000 27424917.6100 21105521.7400 CerP(t43:2)+NH4 37765624.8300 34626585.3500 36888478.3000 36033038.4900 24902514.7000 26157746.4600 32878552.2500 29946244.1200 34126244.4500 26881348.1300 Cer(t16:0_16:0)+H Cer 16:0;O3/16:0 10334377 10448694.7400 11244985.3600 10597226.3300 7477160.7510 14710658.7000 15592958.0400 15609653.7200 10890548.1600 8145131.6060 Cer(t16:0_18:0)+H Cer 16:0;O3/18:0 109251975.8000 132556620.7000 73538002.2100 102376051.6000 75069209.7000 116629862.9000 119913681.9000 147672928 134784149.1000 85247290.0900 Cer(t17:0_18:0+O)+H Cer 17:0;O3/18:0;O 1658253.2280 1566122.3740 1221005.3740 1228827.1110 1377930.0580 1397564.5580 2618699.8390 2897135.7020 1307427.2070 875332.2839 Cer(t17:0_19:0+O)+H Cer 17:0;O3/19:0;O 8634518.5810 8230909.3350 7385609.2710 7174456.3830 5691029.7410 9610299.8020 10670798.8000 10806245.8900 6943732.6540 7621701.1050 Cer(t18:0_16:0)+H Cer 18:0;O3/16:0 13934974.0300 9225935.8670 10071919.8700 8080948.4400 18196086.2200 10346716.6800 10777669.6800 12283066.5100 12614299.5400 6792322.4980 Cer(t18:0_22:0)+H Cer 18:0;O3/22:0 16736438.4800 12546550.9800 10376363.8700 9622570.0040 12175079.2500 12080394.9300 11688838.5900 13198479.6800 14118005.6000 9366687.2560 Cer(t18:0_24:0)+H Cer 18:0;O3/24:0 67085818.6000 67844254.3100 56659031.7500 58998552.4200 60821477.2100 69848982.9900 59035981.4200 77419972.0500 74050302.6900 47054047.5400 Cer(t18:0_25:0)+H Cer 18:0;O3/25:0 2549034.6290 2434511.6400 2060875.4980 1995744.7060 852742.6064 2131057.0460 1527693.4960 1438570.5960 1971835.4230 2259198.4450 Cer(t18:0_25:3)+H-H2O Cer 18:0;O3/25:3* 587054665.2000 533240665.5000 431483952 504424528.5000 506043877.1000 492021581.9000 498744777.6000 556628315.3000 626095220.7000 418482018.5000 Cer(t18:0_26:0)+H Cer 18:0;O3/26:0 14625915.2700 9551374.7050 8940664.4600 8760622.7160 8805543.4830 9700106.3310 7846396.0580 9516277.1000 10037104.2500 8114009.7210 Cer(t18:1_23:4)+H Cer 18:1;O3/23:4* 44491670.7900 44443220.6300 42372172.4100 45006306.4500 46270230.6200 43730596.4500 38439971.1600 46134989.1600 41835083.5600 35454057.0700 Cer(t20:0_24:2)+H-H2O Cer 20:0;O3/24:2* 86571347.2200 91577924.0900 86327589.5700 91743746.4200 78311587.2300 74883933.6400 63781185.1600 86980362.4700 86532577.5500 53535047.9000 Cer(t20:0_24:3)+H-H2O Cer 20:0;O3/24:3* 1254783511 1456726304 1381283550 1469133558 1252830845 1353775096 1523257256 1763885039 1656924283 1281477064 Cer(t20:0_26:0+O)+H Cer 20:0;O3/26:0;O 7981109.6760 5395487.5880 5126395.3250 5342443.0270 5203481.2670 4806906.5690 5004004.7980 6570391.5830 6089069.3600 5013475.0800 Cer(t34:0+O)+NH4 213204686.5000 251363274.7000 207557630.6000 222264962 227037175.4000 266093011.8000 266275464.7000 293920701.9000 324026239.5000 226631686.3000 Cer(t35:3+2O)+H-H2O 2710021.2120 2772493.1190 3085202.7860 2478549.4930 1756530.7900 3206399.2000 3947678.8900 3001027.3100 2295768.1400 2255060.4440 Cer(t35:4)+H Cer 35:4;O3 6770098.7760 5616538.8350 6521143.5840 6229359.9700 3213828.2360 6338635.1260 9396638.7110 6272433.2810 6237072.3510 5747547.5160 Cer(t36:0)+H Cer 36:0;O3 34799044.1200 29841148.0200 32715877.9800 30801489.8700 23034028.0400 46301064.3800 40729487.9000 55797510.7000 34322816.6000 34427729.8200 Cer(t36:1)+H Cer 36:1;O3 1678660.0050 2154928.9410 1647983.8790 1854844.1010 1248472.3030 725853.6774 2959569.0720 1718514.2380 1275829.1670 3893539.8950 Cer(t42:6)+NH4 Cer 42:6;O3 224663294 184362619.8000 197503523.4000 209275058.1000 218244038 245047879.4000 280025256.4000 225850052.1000 304190354.3000 301514582.9000 Cer(t43:6)+NH4 Cer 43:6;O3 25555662.4900 23303226.5000 18683405.9300 21243544.2300 19471431.1400 36959228.2200 30588885.1900 32860126.7500 24976004.1400 29197386.5500 Chaetoglobosin c 1545.6989 1963.0479 1683.0087 1829.1257 1425.1051 989.5951 1008.9001 929.8620 1308.3198 1068.4116 ChE(14:0)+NH4 CE 14:0 24042985.8300 28460089.5700 23795976.1000 25428189.9900 26588975.8500 18891516.6800 12613689.5800 15384700.4700 17075540.4700 12073166.6900 ChE(16:0)+NH4 CE 16:0 54515717.1600 44716729.8600 44859988.1000 37624869.7700 51813223.4100 50215249.3400 46797142.6500 43557350.4500 43524244.7100 46086545.4900 ChE(16:1)+NH4 CE 16:1 176227669.7000 195720831.6000 199999235.4000 184265496.3000 190160899.4000 195357484.8000 150676149.5000 177730871.7000 205681432.5000 150357724.2000 ChE(17:1)+NH4 CE 17:1 10303650.6600 9745356.1470 9964680.8180 7816820.2160 8062035.1760 12764381.3100 7090425.4030 9303202.4990 11717815.5200 8262853.7340 ChE(18:1)+NH4 CE 18:1 1405523952 1351604003 1310573857 1289437687 1253479264 1640377751 1366432428 1219377781 1446962465 1265471120 ChE(18:2)+NH4 CE 18:2 177237529.4000 219794657.1000 210257306.2000 203979351.6000 186391222.5000 193841771 141371282.3000 173512417.5000 231131982.3000 198603643 ChE(18:3)+NH4 CE 18:3 9005748.8620 7989992.6320 7345402.0200 7092736.1820 6567975.9090 12191298.0300 6489818.0810 5102646.2220 9153148.0350 7823988.4650 ChE(19:1)+NH4 CE 19:1 39005079.2500 33766055.8200 40278642.0700 33548868.9800 33949531.8000 30535763.1800 21302788.4700 27578998.9600 39437239.3400 20927224.6600 ChE(20:2)+NH4 CE 20:2 99652134.7800 159721848.4000 115741340.9000 127159820 91736734.7600 87185234.5900 84068773.0100 77345611.5500 97679084.7300 98441152.8500 ChE(20:3)+NH4 CE 20:3 47258523.2500 54160816.6700 50666267.7000 54489962.0500 30242597.4800 43791717.5200 19349269.9400 34797872.3400 47304259.6600 38770919.4500 ChE(20:4)+NH4 CE 20:4 14742180.7300 14030752.0600 11574116.7600 14935606.4300 11483298.7400 12685189.8400 11131024.3300 5855539.1970 15628250.4400 12844547.1300 ChE(22:3)+NH4 CE 22:3 50484607.5500 46491673.7400 48246521.3300 45001151.4700 46161764.1000 46437770.5300 32155952.7000 30074968.0600 41679384.1500 33515066.7600 ChE(22:5)+NH4 CE 22:5 23574974.0200 23568956.1000 19118848.3200 23032951.1600 21872462.3400 26101329.6800 18678112.5200 21171035.8700 23360439.3600 16351594.1900 ChE(22:6)+NH4 CE 22:6 267861357.2000 282043426.5000 269041418.8000 256874476.2000 249797241.6000 342043179 287196835.1000 344111474.4000 410417700.3000 295847264.2000 ChE(24:4)+NH4 CE 24:4 124902228.2000 100508359.5000 107412333.1000 92266669.6900 112135085.9000 127536033.7000 84804232.9400 101538020.6000 143345242 101099840.4000 ChE(24:5)+NH4 CE 24:5 183672937.6000 213127169.9000 240807906.3000 172827119.7000 153736679.8000 261948754.2000 247568362.2000 215676175.9000 279729591.8000 200223639.6000 ChE(24:6)+NH4 CE 24:6 118473422.2000 106989265.2000 106656330.6000 92955841.6900 99081676.2800 112560628.3000 83736651.7800 90779191.7700 99004126.6200 62244854.0700 ChE(26:5)+NH4 CE 26:5 84188620.5200 68266350.6900 64567012.6500 59422034.5500 69147393.4900 75304215.0500 59142302.4600 69512549.7800 88640016.9000 74305797.4400 ChE(26:6)+NH4 CE 26:6 178628483.8000 199149187.8000 181325636.6000 168633127 163127081.9000 149311055.7000 135070836.3000 138868543.7000 158470537.3000 111641280.7000 ChE(28:6)+NH4 CE 28:6* 136338002.1000 125761715.6000 127504846.4000 119833728.2000 126201273.4000 102477610.5000 78568863.0800 99816935.5600 105620855.9000 66339671 Chenodeoxycholate Chenodeoxycholic acid 556417.8095 519417.5943 766920.0017 621074.4849 584633.4777 634895.3429 605608.7361 528815.7070 646494.8020 593091.1893 Chitobiose N,N'-Diacetylchitobiose 3617.1590 2082.4490 4029.1949 4087.0159 1446.7602 2510.5104 6493.6781 4439.0087 4370.4459 3501.3472 Chlorhexidine Chlorhexidine 12789.5564 16614.7643 12756.6053 13520.0524 7217.0380 18660.7506 22557.5512 24899.8995 9142.4369 17210.6767 Choline Choline 177355.5229 47983.2897 168282.9194 204548.7761 205735.4744 229774.6004 14432.1260 188433.0624 165908.2662 243046.0070 Chrysomycin a 20505.2470 51536.5643 15861.2034 4608.0506 6481.9563 107297.5973 42566.9095 112714.0647 96338.1245 124358.3609 Chymostatin Chymostatin 16471.2396 13420.9552 14308.5123 13647.5073 16414.9377 11257.4691 23596.4961 17887.1262 17307.4585 14713.4925 Cimicifugoside h 2 4241.5340 4479.1694 4506.9160 5042.7018 4312.7740 4000.7181 4113.2859 4238.3536 3475.9761 4669.8438 Cinobufagin 7468.6589 7636.3899 14050.9680 18976.9926 11628.0447 2730.9043 7705.7996 17277.1944 14067.8000 8427.9079 Cinobufotalin 4007.6059 4901.6023 7153.6971 4449.3613 8622.6491 5325.5204 3284.8749 10079.0994 10903.2633 15307.6119 Cis-13-docosenoic acid cis-Erucic acid 331616.1578 216711.9353 254354.6571 403741.0933 283397.2253 151668.8116 256674.4359 236317.5033 190536.0205 249802.7407 Cis_cis-9_12-octadecadien-1-ol 304837.5622 261305.1000 298095.2406 212638.9738 315963.7583 298622.7154 301660.2684 314027.1215 240553.6016 300088.5272 Cis-.delta.2-11-methyldodecenoic acid 7480.8523 7569.9203 6388.8846 5786.8767 6056.1213 5768.3194 8062.9699 6076.7493 6085.8456 5277.1372 CL(64:8)+Na CL 64:8 116406343.4000 98173396.5500 88029211.4400 92769643.7100 111735957.8000 120741487.2000 160376443.8000 161470203.6000 130665801.6000 161869575.3000 CL(66:4)+Na CL 66:4 13135950.2100 17668088.9900 14037576.5500 14392570.1400 11307108.3600 15862730.4100 12675106.7600 15010159.9400 18767491.4900 11802577.7200 CL(68:10)+H CL 68:10 8958401.7010 8977625.0130 8583117.7650 8023639.8300 9224161.9230 10293951.8800 7840545.7050 8896179.3430 10924377.8300 7164207.7560 CL(68:4)+H CL 68:4 419832892.3000 133727606.5000 203611287.8000 422060160.3000 528230656 394733287 153844295.1000 533301363.2000 519139035.7000 241668204.3000 CL(70:10)+Na CL 70:10 10077645.3300 16814107.4000 9866011.8230 16098368.5000 11405724.6200 11227890.8600 13684442.2000 23137178.5100 20937848.2000 16419528.1900 CL(70:1)+H CL 70:1 215588970.2000 227211900.8000 197601853.9000 222434848.6000 230004411.5000 583758865.1000 451331435.5000 536242174.9000 616175256.9000 423507092.3000 CL(70:2)+H CL 70:2 25503116.5600 13245975.9000 14286792.9100 9894290.8750 16207333.6200 32134967.9800 22362269.4300 53304665.1500 23872512.3800 17078511.4100 CL(70:4)+H CL 70:4 27336024.3900 26748983.0800 25495254.9100 31585397.9000 30561714.7700 44493369.4500 43135552.9500 40382429.5800 64996640.3000 37483869.8400 CL(71:2)+Na CL 71:2 16244794.1300 17474271.7500 14661170.7100 11516100.0400 13213751.8300 12825263.9800 11151207.4000 15788328.4100 8358971.3290 15767561.7000 CL(72:2)+H CL 72:2 181774573.2000 183438100.7000 161800117.1000 179944594 212221166.5000 390665034.1000 310741999 357706942.7000 436906757.3000 279992767.3000 CL(72:3)+H CL 72:3 1341035.5880 43156606.7600 31508809.5400 161381141.2000 1949943.4980 1578888.2730 69505412.4500 3038379.1220 3668244.1390 18574130.9300 CL(72:9)+H CL 72:9 27244304.7100 18068374.0800 20264555.6600 6467512.6140 24031533.1600 26179467.8800 7427390.7340 27666965.0800 30172380.5800 25370699.3000 CL(74:12)+Na CL 74:12 7344678.7800 10398951.8800 9114006.9510 12267327.1500 9464704.9080 9659648.9630 11908597.7800 13426252.6500 12691132.0600 9825843.7190 CL(74:1)+H CL 74:1 342021585.7000 338446698.5000 324719493.4000 342995380.1000 300461325.4000 565471057 498309544.5000 518250600.3000 679630236.1000 464696663.5000 CL(74:3)+H CL 74:3 222074485.2000 241475631.6000 212090824.2000 221923801.9000 248921558.5000 368771389.1000 345075261.2000 411542546.5000 474319986.5000 317495081.5000 CL(74:4)+H CL 74:4 179420589.9000 177868370.5000 145452855.2000 171505647 204857101.5000 287969932.7000 215779597.6000 293639833.1000 323621025.5000 169405513.3000 CL(74:6)+H CL 74:6 493923.6388 1584007.8300 464064.6239 2975757.7510 481549.7527 2654124.0730 1708491.9340 16548675.9900 2925237.5490 1387566.4970 CL(74:7)+H CL 74:7 13886010.9000 23503173.0700 20233501.1700 28283427.4800 26787091.8500 46853409.5600 29043340.3100 32748840.6100 40845187.9200 25131895.2800 CL(74:8)+H CL 74:8 670023.4191 1610300.3540 1265345.6780 4782774.5570 1354134.5640 2328259.5940 2200835.1840 1320505.8920 2304065.6350 645259.0879 CL(76:2)+H CL 76:2 79505073.7700 77074518.0600 71532672.2900 82502211.6700 63793148.4400 104579148.8000 82224140.3800 93308653.7400 133799566.4000 74292535.3900 CL(76:4)+H CL 76:4 37223101.2200 36943343.3400 30130525.5000 36294929.8400 35860526.5100 49310142.4400 52345495.3600 60227232.2200 64961661.8800 45957844.3100 CL(76:5)+H CL 76:5 257940207.4000 243470884.9000 206158784.2000 237143128.1000 265373494.1000 322638114.2000 261705590.5000 336796515 370919521.8000 225240222.9000 CL(76:8)+H CL 76:8 7101385.2870 12600175.4600 13657629.4000 11794923.1800 10311952.2200 17726146.6100 16290106.2500 16493952.3700 29385271.2800 15460702.7000 CL(78:10)+H CL 78:10 2617821.9540 1440222.4340 2613860.5870 4037355.3050 2527568.5260 3219954.4260 2859718.0980 5522499.4140 10204309.9600 7280008.3470 CL(78:4)+H CL 78:4 2941511.4660 5833210.6660 5225431.0670 5513434.5290 6679678.3140 6483651.1660 21193414.2700 4142062.7050 14947308.2600 16970877.6700 CL(78:7)+H CL 78:7 101364645.2000 103361159.2000 84424407.9500 113520288.6000 117717497.3000 86607457.2300 67166344.4900 97779759.4800 107719548.9000 79686487.1700 CL(78:9)+H CL 78:9 24583457.4200 29623362.7600 31043606.3400 25733776.6000 23182558.4400 27402764.2600 32618648.6900 28301253.7000 41083886.8400 27281486.2900 CL(79:9)+H CL 79:9 3232834.5730 3650748.1370 2922474.3490 4719403.2810 2983522.7460 3633160.3800 3435553.8840 4053773.5140 7136384 3864241.7180 CL(80:8)+H CL 80:8 20342377.0500 15814982.8900 11374696.9300 13027391.2300 17961761.8100 23158737.0200 14687901.1300 23355892.5200 17505602.9400 9633366.2870 CL(82:11)+H CL 82:11 1500010.0300 2501430.6990 1648647.4850 10648817.5200 1547689.9360 11283024.7000 13685808.2200 12123440.6000 7673758.0710 12547901.9900 CL(82:13)+H CL 82:13 1198763.1460 3728936.3390 1255031.9660 5338564.7360 728340.4435 6017676.8160 8269082.0240 4853818.9390 4561867.9880 4118166.7620 CL(82:4)+H CL 82:4 24662933.0300 8543268.8490 19712441.8600 16475191.7100 27416851.2000 34705778.2100 45997145.5100 48633561.7600 42153194.8900 40337814.8600 CL(86:14)+H CL 86:14 4336384.1970 5031183.6480 2624652.7860 7093601.1640 4662120.9520 6752894.9800 6545089.8090 7675767.3130 14060222.6100 5345252.9110 Clobetasol propionate Clobetasol propionate 1738.2772 1391.6737 1279.3615 1686.9858 1539.8920 4566.6655 2676.0347 3087.1307 1809.9489 1659.7021 Clomazon 3350.8640 1565.3371 3389.5258 2213.2924 4146.6501 3797.1942 5716.7902 4208.7451 4319.9065 4509.6149 Clomipramine n-oxide 51995.3164 42689.6013 49825.2997 30623.3161 38535.5686 65655.1097 47889.7570 59716.2444 54088.6977 65232.0737 Clorgyline Clorgyline 5596.5958 4826.9041 5693.3710 8863.8447 4460.7360 9679.6922 7699.7764 10268.7795 11780.8351 6194.2869 Cnicin 22298.0179 10341.7674 12044.9791 21384.5379 17988.5732 8487.8448 33746.3662 24881.6287 20865.6592 14475.9412 Cocaine Cocaine 1186.8258 1062.9744 763.1506 1071.5683 1055.3815 625.9594 933.2015 1121.0675 964.7229 1067.7079 Condelphine Condelphine 8002.1077 10674.7781 7062.4276 5311.2248 9300.4674 7231.4888 7998.6035 6770.4836 8410.8582 12997.3471 Conessine Conessine 2364.8494 3320.0283 2607.0511 2514.6499 3088.9567 4685.2979 5294.6040 5304.1162 6818.6319 5256.9077 Coniferin Coniferin 21346.3213 22046.7613 22057.1479 21472.0054 26657.3510 22659.4489 19391.5912 5455.6055 26370.1324 25181.6250 Co(Q10)+NH4 Coenzyme Q10 5197529900 5113093981 4942640016 5540440487 4828152571 5520549239 4637182793 5448412916 5982308732 3950780602 Co(Q6)+H Coenzyme Q6 42546397.3900 43853292.1200 44646851.4100 46299563.7700 40731438.7500 45646999.6800 38461068.9200 44569245.7400 49822357.3400 34708621.6200 Co(Q7)+H 42811215.8300 52498182.5200 44726843.8400 52130910.9100 49262106.0800 47775667.3200 54468623.8200 58380461.3900 58433107.1000 42603544.9600 Co(Q8)+H Coenzyme Q8 49362828.5400 49831439.6600 49837034.0700 56996761.5700 43876805.1400 52512421.1400 43349049.1200 50032229.5900 57254540.8500 38273292.6100 Co(Q9)+H Coenzyme Q9 13773918.1900 15782730.4300 14658099.9400 16455683.8300 12057719.4400 14520053.7700 10310409.0600 12429567.7600 13581214.2600 8178443.3720 (-)-corey lactone diol 49412.5670 39306.9955 32795.0139 38296.4194 35972.9542 17266.2260 12131.6037 86869.7477 37464.0835 41160.4573 Cortisol 21-acetate Cortisol 21-acetate 2749.4695 3505.3086 1977.2432 2947.4881 2460.5675 2045.0922 2554.0502 2333.6403 3166.5819 1754.6594 (+)-costunolide Costunolide 28647.3011 26529.2932 29689.5414 29019.6201 21271.3610 25898.7611 27502.3842 25764.1468 13607.6038 30955.5554 Creatine Creatine 8759178.1940 9560549.8370 10354423.4100 8145883.7720 8061730.7560 12438159.6400 12919237.0400 11926762.1200 12460400.3700 10990475.9200 Creatinine Creatinine 4969204.5160 4885732.5250 3865499.4360 4096420.6690 5049702.3140 2715446.3070 4453537.4630 5377469.0300 3949803.1370 6455894.9500 Cucurbitacin d 19031.0952 21673.0793 18714.9513 13497.5413 11812.6566 18949.4349 30414.8140 19783.0721 18066.0727 19061.7320 Cucurbitacin i 2936.1648 2455.0825 1668.3949 3820.8532 3900.0848 1752.7621 1275.0119 2008.4144 1337.4351 2235.3654 Cumyluron 7754.4516 6140.8744 6734.6040 6309.7471 6141.9627 5515.4381 4265.7746 7604.2302 8677.2397 7217.7778 Curcumin Curcumin 5588.0360 5574.9584 5660.1549 6584.4277 4666.5490 5744.6820 3728.9855 5105.5607 2098.5958 3088.3340 Cyasterone Cyasterone 49641.1638 54843.9775 49868.7031 44463.4763 60904.1518 25188.8883 29796.6385 33861.6350 38278.1251 32787.2128 Cyclanilide 17274.9626 16414.5565 16441.9794 14074.9404 18359.9152 52815.8610 30767.3836 32229.4062 33460.6278 34834.2787 Cyclohexanone_ 2-(ethylamino)-2-phenyl- 57472.0282 9378.4845 2717.6916 56831.9244 9795.6306 76391.1635 61943.2423 74203.7851 44176.6557 66034.2291 Cyclohexylamine Cyclohexylamine 9752.3651 12870.0189 10555.4288 3639.4580 3539.3141 11352.8719 14573.5171 14198.3282 15932.6794 19032.2798 Cyclohexylaminopropanesulfonic acid 61790.4632 75633.8558 20827.9983 35495.3098 43608.9886 30857.9363 32809.8219 31700.1436 111594.4786 299168.1809 Cyclopentolate 3681.3050 1473.4862 5191.0784 3314.0469 4087.5449 18187.9852 7473.8366 6776.2362 7927.3161 7573.2096 Cyclosulfamuron 803750.5366 860429.5162 900009.2454 574874.9877 804298.7814 381819.3984 334149.1965 409474.6581 388127.3423 470590.2544 Cyhalothrin Cyhalothrin 87489.3511 90732.6831 89325.9529 83729.9688 102828.8491 62107.5251 57225.4057 76736.1629 72750.8402 80421.6231 Cytarabine Cytarabine 11730.4415 9548.9366 9374.8956 2701.2159 4592.9254 10323.4483 7873.8196 7408.1084 30322.2243 13871.9355 Cytidine Cytidine 38470.0189 37520.1488 40095.3845 7882.4363 16520.2932 37374.8821 45174.1710 37720.6831 68563.0097 37120.8215 Cytidine 2^_3^-cyclic monophosphoric acid 2',3' cyclic CMP 23066.8702 18065.7036 22871.3278 14614.9540 23470.1883 12562.7975 4761.1041 4477.9989 5310.2774 4389.1109 Cytidine 2^_3^-cyclic phosphate 2',3' cyclic CMP 13961.3525 9273.9985 10412.6622 13693.8049 14964.3343 5230.4655 7494.5635 8395.7314 8514.6719 7302.5646 Cytidine 5^-diphosphate (CDP) CDP 6015.9467 5526.3255 5094.9986 5236.1319 4889.4503 5466.2518 12338.7525 10260.2625 9479.6577 5294.1122 Cytidine 5^-diphosphocholine CDP-choline 171052.4963 214905.0292 188429.5660 200396.1205 98105.7353 337689.7092 491252.6287 355930.4850 288900.4452 229262.3360 Cytidine 5^-monophosphate CMP 223770.3270 235542.9881 220106.2283 205853.3828 236510.3677 237047.9479 260210.9848 282790.4350 311267.5431 330242.1963 Cytidine 5^-monophosphate (CMP) CMP 7953.1906 10003.3165 4495.3003 9299.4802 9475.9111 1890.4458 6288.9397 4892.7729 9544.9578 7832.3517 Cytochalasin a Cytochalasin A 8415.7551 7690.9848 7328.2624 6402.4496 5608.6148 6021.9855 10529.8625 7861.0176 8449.7861 7763.7514 Cytochalasin b Cytochalasin B 64777.7657 64150.0700 52785.3053 59497.3539 69574.4470 24661.2448 38737.6743 38220.1746 36945.2408 41742.5716 Cytochalasin d 13749.1265 12875.1045 16885.3273 14098.4027 17858.1423 15550.9004 28046.1561 12234.7384 27638.1100 12948.0933 Cytochalasin e 11321.5384 11895.4114 13402.5423 11307.0285 11500.4705 10528.1971 10204.6517 12227.8636 10552.0593 12836.6063 Cytosine Cytosine 114117.8572 81242.6868 110212.1574 108764.3304 109275.6861 134916.3822 126211.0141 127686.3356 114010.7015 106412.6683 D-amygdalin 5181.2496 6806.1231 5774.5956 3905.1810 4201.2944 6951.7564 4200.8455 5714.5542 3779.6428 6419.2375 Dansyl acid 34525.0232 25314.1255 75804.7103 37443.2990 25584.2564 149307.4408 111779.8475 80803.8892 46618.2522 55562.7630 Dapsone Dapsone 8533.7929 10383.2996 9120.0652 16331.8640 11189.9923 18368.2448 14761.1814 16560.1962 19237.2074 17033.1584 Dasatinib n-oxide 28309.5648 28257.7864 28528.6263 31300.4307 33105.6253 18602.6517 20332.4629 20432.8168 23230.5609 20100.7182 D-aspartic acid D-Aspartic acid 137283.7902 135739.6808 137965.1345 118834.6244 147523.2439 151102.7433 165488.1126 183453.6221 173018.9066 209268.8253 Daurisoline 2879.6425 2610.0957 3701.9697 1748.1843 445.6336 1311.6222 4847.7375 2586.6609 1899.7079 3031.4783 Decanoyl-l-carnitine CAR 10:0 28875.9878 30560.5122 32287.5714 26386.3783 29145.9923 19083.4110 19871.7876 22706.1560 19240.0256 26577.2968 Decoyinine 13089.2889 13512.9066 14713.7218 8178.8213 11316.7617 16724.1239 14043.2713 12298.4396 12658.0172 13317.2289 Defluoroatorvastatin 5682.5111 4470.3207 5066.1245 3857.2714 3051.3532 4677.1192 11820.1603 2936.4834 2729.5698 7276.5169 Demissidine Demissidine 29369.7128 34887.9691 34495.8451 25193.7021 64587.7508 20378.0895 31575.8477 39063.9696 26790.0166 14160.6174 Deoxyadenosine Deoxyadenosine 5928.5096 1695.5862 4303.5970 4299.0813 3507.1471 1907.9034 4251.1364 3316.4847 4871.3769 4650.1747 Deoxycarnitine 3-Dehydroxycarnitine 7910069.3130 8177161.7200 8561724.8010 8483549.3710 8466512.4290 7919282.3730 9867514.5900 10300296.3100 11024086.8400 11816999.2900 Deoxycorticosterone acetate Deoxycorticosterone acetate 2966.9435 2829.5733 5641.8319 317.1530 367.6509 5690.4328 18622.5599 6987.1667 3029.8000 4063.5081 Deoxyguanosine Deoxyguanosine 54251.1835 53285.2772 44335.9247 51492.7176 67889.2033 16512.6630 18740.0934 12662.3381 13330.3753 21325.9854 D-erythro-imidazolylglycerol phosphate 295932.3363 244705.9369 140935.8187 326548.7127 231922.8135 297561.6865 722731.6865 971873.0218 1066478.5810 1486313.5170 D-erythro-sphingosine-1-phosphate Sphingosine 1-phosphate 3268.7888 2478.4297 7699.8972 3698.0062 3323.2798 1777.8959 3642.8464 822.1635 6009.4551 5955.8832 Desferrioxamine 45232.2852 56962.5181 44705.3235 36732.6757 49836.6391 28309.3126 46522.6768 40127.1139 49405.5464 41288.7321 DG(10:0e_19:1)+Na DG O-10:0_19:1* 9862268.4900 11935389.2500 10478450.2100 11333411.8300 8070646.6720 16808008.5400 13775565.3000 15212749.3700 18095844.6100 13958883.5800 DG(10:0e_20:1)+Na DG O-10:0_20:1* 5816856.6240 5167145.2200 5049286.2440 3178735.2060 6268397.3870 8104751.8530 10991993.6300 9982598.3620 9848379.0340 6676886.3410 DG(10:0e_23:1)+Na DG O-10:0_23:1* 261135698.7000 227729918.7000 248259535.4000 203629268.6000 229945241.8000 261149768.5000 207172591.2000 317184946.6000 294109920.7000 218827600 DG(10:1e_10:4)+Na DG O-10:1_10:4* 47457383.8600 55105129.7700 54515353.3400 60940360.6000 46799067.8000 57535939.4200 49098509.0900 55081556.0500 61370591.8100 40021474.4500 DG(12:0e_18:2)+Na DG O-12:0_18:2* 1800551.1700 302686.1888 370719.9494 766451.4731 569967.7911 667735.9140 305023.0332 932795.8161 674099.5445 571357.9683 DG(12:0e_22:3)+Na DG O-12:0_22:3* 66493807.2200 58400969.9900 51944581.2400 49964701.7300 70139495.6600 116913631.6000 70705689.8300 114179388.6000 116036829.9000 69802769.1000 DG(14:0_11:2)+H DG 11:2_14:0* 4651139.4800 1544276.6100 303297.1324 1345454.1950 3800276.6550 4144122.5160 3348381.8840 5284661.0230 5482622.4840 888369.9064 DG(14:1_10:3)+NH4 DG 10:3_14:1* 1267821.1160 1167478.3500 1559044.4360 1558529.1780 566841.1594 93146.1616 4532114.7690 2228357.4930 1679273.2910 2426232.5280 DG(14:1)+Na DG 14:1* 40222783.0400 43238029.3600 42121578.4000 26153307.9500 29421550.8700 39862029 40196625.4400 40660810.7000 26746810.3500 34581023.0400 DG(16:0_16:0)+NH4 DG 16:0_16:0 12613341.5500 21706048.0600 11636473.3200 11103534.0500 21638929.3300 16404892.8800 28173881.5100 33249549.8600 18031702.0100 25394210.7800 DG(16:0_17:0)+NH4 DG 16:0_17:0 2870933.9620 3165029.0570 3045244.7060 3205421.4100 2992744.3850 2907627.7870 5207727.9430 4314634.4110 3448342.9740 3112580.3830 DG(16:0_18:1)+NH4 DG 16:0_18:1 272838207.8000 328193499.4000 273229813.6000 327544026 313788050.1000 344666152.2000 383200406.4000 434606270.5000 404194207.8000 306642884.5000 DG(16:0_22:0)+NH4 DG 16:0_22:0 6644864.6960 7528714.6660 7141590.1850 7151296.0890 5945807.2860 12029367.6500 13778412.8200 12909708.7300 3600504.1760 11761928.7700 DG(16:0_22:6)+NH4 DG 16:0_22:6 9320355.8460 9814102.7290 5886991.7490 8526445.0630 13731881.4200 21996937.7500 16201883.4000 17694204.3000 17444219.5500 12596600.5300 DG(16:0_24:1)+NH4 DG 16:0_24:1 84800402.8200 189015636.5000 159110821.9000 150764833.7000 132193427.4000 77244337.2700 71947887.8500 113093207.4000 81735750.8900 55141888.8000 DG(16:0e_22:6)+NH4 DG O-16:0_22:6 148890456.4000 85656631.4800 167622814.4000 142556145.9000 168542778.1000 118226485.9000 122733907 168075890.3000 170153420.6000 96339301.2300 DG(16:0e)+Na DG O-16:0 30043155.1800 25117965.0300 24772903.0300 18073220.8400 25024674.8700 47376795.6600 25601700.2700 44097963.3300 23697179.9800 22890647.0200 DG(16:1_18:1)+NH4 DG 16:1_18:1 19247573.9800 21695257.6600 22273830.2400 23128908.4400 13331228.2200 36006806.9000 24779449.0200 32088141.6300 17028203.8500 24181045.3000 DG(16:2e_18:2)+Na DG O-16:2_18:2* 12569669.8200 9520832.0750 11992790.2200 14884724.4700 12427309.1800 29441861.2800 12906962.9000 15248262.9700 27794419.1700 10988805.5800 DG(16:4)+Na DG 16:4* 19202201.3900 15666677.5600 11198644.1300 9743491.3830 13286808.0300 31621507.1300 29095466.2900 24744822.5400 28422881.0700 28180417.3200 DG(17:0_18:1)+Na DG 17:0_18:1 51234054.4900 44046481.5800 32445133.0600 57552202.0600 61661073.3900 26458546.3700 30782081.9600 45136312.7800 38924785.1400 21509457.1300 DG(17:1_18:1)+Na DG 17:1_18:1 10482880.0800 9390795.7350 8024208.0690 8586608.2930 10222692.4100 12534050.1800 15737175.7400 15298398.2800 21896728.3000 13620882.4100 DG(18:0_16:0)+NH4 DG 16:0_18:0 17016610.1100 22840019.9400 18197557.9200 20499066.2900 18690596.5300 24688491.5100 26004979.2500 24447749.5000 8213381.5930 19043177.8600 DG(18:0_18:0)+NH4 DG 18:0_18:0 22061228.2500 21601847.7600 19139162.3300 17624221.9300 17694855.6500 28328875.0500 26148855.9300 24963476.5100 8899681.0570 21550357.1000 DG(18:0_18:1)+NH4 DG 18:0_18:1 88798505.8500 95331119.7000 90327073.1900 104720324.9000 101442478.3000 58450478.1300 55104606.4900 71570542.5200 69943786.9700 41531028.1300 DG(18:0_20:3)+NH4 DG 18:0_20:3 92956789.9600 101458099.1000 102416795.9000 105964017 81363256.4400 67709211.1400 73985488.5200 82709197.8900 95746786.9000 57876539.0600 DG(18:0_20:4)+NH4 DG 18:0_20:4 36104926.7500 46611127.2800 36497093.3200 31633751.1000 33867556.3700 44026720.7600 43317474.7800 48879321.7800 53144643.4100 36086948.2500 DG(18:0_22:6)+NH4 DG 18:0_22:6 25435862.2400 20398183.7200 20333848.5000 21780397.7900 26117238.8700 43003568.7000 43116931.3200 48700750.0600 61120223.0400 38245618.3600 DG(18:1_18:1)+NH4 DG 18:1_18:1 518111762.2000 602960114.2000 536252063.9000 553279816.3000 579765925 479391418.2000 547792131.5000 611925295.2000 613509450.9000 434481877.4000 DG(18:1_18:2)+H DG 18:1_18:2 196721724.1000 217059385.7000 206044128.9000 203534983.5000 195249714.2000 338535833.4000 364319067.2000 362387035.1000 211798225.8000 262295767.2000 DG(18:1_18:2)+NH4 DG 18:1_18:2 24347069.9500 28998619.9600 33225039.5500 34528698.7600 23868416.4700 26957281.8400 29684388.8200 37358260.9400 42904049.8000 34074592.1900 DG(18:1_20:2)+NH4 DG 18:1_20:2 12998501.5900 15477985.7500 14473278.6700 13246679.8600 10681987.6700 8792545.2070 7502530.9350 10764265.3200 10769017.3700 6803055.4650 DG(18:1_22:1)+NH4 DG 18:1_22:1 28879710.6700 30989655.3700 29753261.2700 31804135.0700 27555304.1600 15936556.8200 13873124.2700 16833873.4500 16462958.7600 12148578.3700 DG(18:1_22:2)+NH4 DG 18:1_22:2 22058232.9400 27656171.0800 20408259.7400 18739787.3900 23101549.7100 10673992.4500 12925026.2100 10636744.6900 13183688.9900 7262859.8050 DG(18:1_22:6)+NH4 DG 18:1_22:6 8111766.0050 13452759.3000 13338491.8300 10701300.8900 5123482.1960 17871303.4800 16061582.1000 18126670.7400 16568173.0400 11621288.6200 DG(18:1_24:0)+NH4 DG 18:1_24:0 34241949.7400 37746704.7200 34903956.8400 37193821.9400 36139590.1700 15783158.0400 16419527.9600 18926608.3500 21150796.1800 9938199.4230 DG(18:1_24:1)+NH4 DG 18:1_24:1 175489792 191053563.3000 174488228.2000 183342821.7000 187517871.7000 132829040.4000 108806636.5000 135648971.3000 135466398.8000 92860219.8400 DG(18:1_24:2)+NH4 DG 18:1_24:2* 40750097.9300 42430996.5200 38489522.7100 44320377.0600 38037933.9100 23236356.3900 19674255.3500 25095649.8100 25379495.0300 17302482.6600 DG(18:1e_16:0)+NH4 DG O-18:1_16:0 4781147.4350 5756737.8030 5240093.6030 4657445.6620 4868917.2270 9567845.5580 6636479.4700 8388330.0710 8763079.4590 4594209.0260 DG(18:3e_18:1)+Na DG O-18:3_18:1* 1345339539 1120636651 1090748165 885693726.8000 1513998500 1615152701 1492725985 2158336872 1897927070 1339529965 DG(18:4)+Na DG 18:4* 2289060.8160 2216489.8550 2046078.7680 1996013.4020 3011380.6100 6707468.7770 6428300.8750 3224223.5790 9173504.6800 7583827.7530 DG(19:0_18:1)+Na DG 18:1_19:0 16213310.8200 20819792.2200 16470779.7800 18558190.8500 17553124.3100 8183404.5400 9412067.6830 10817686.0400 10300622.9200 7206962.0560 DG(19:0e)+Na DG O-19:0* 1417177.3390 946296.7768 733641.8638 1367696.2840 1123579.5690 1492900.4100 1725938.6470 1135132.7550 1032281.6390 1504779.7890 DG(19:2e)+Na DG O-19:2* 2349751.6660 28822542.2900 20015534.4200 5202299.1420 1720550.5670 1095461.1710 12540165.3100 3723268.7690 4773750.7150 18069672.2600 DG(19:2e)+NH4 DG O-19:2* 26513722.4900 30576070.1600 33415043.0300 31419973.2000 23021554.1000 40127990.4200 38423448.8300 34980939.7100 46269859.3300 28690128.1400 DG(19:2)+Na DG 19:2* 3878671.3900 3012350.1650 43654.0862 88265.6546 3.1774 14214892.9000 3650199.1290 40298.3677 10419745.8000 8000476.9850 DG(19:3e)+H DG O-19:3* 35233111.5900 9846291.3710 7132967.8090 6376633.3180 8240723.7350 21819353.4900 24594809.6400 13165163.1600 16465349 12636997.1100 DG(19:3e)+Na DG O-19:3* 14900917.1200 3190100.9780 2474141.7800 1633360.2840 2651208.3650 6945928.4590 8941910.8020 4082831.4990 6318507.1860 1756851.8060 DG(20:0_18:1)+NH4 DG 18:1_20:0 141177778.4000 167272974.1000 143932197.1000 171707150.5000 141991086 75912069.3900 76576532.0200 99839655 100840347.9000 59293533.4500 DG(20:0_22:5)+NH4 DG 20:0_22:5 26275841.5900 2449485.6620 1639120.1090 537951.0666 3616890.7950 4393812.8610 7839676.5500 3508964.0460 6430267.8210 2212991.5890 DG(20:1_18:1)+NH4 DG 18:1_20:1 100916384.5000 121154264.6000 111460802.1000 125238442.4000 116422550.2000 55752344.0400 61809872.4800 63981839.8300 52730426.3500 39383943.5700 DG(20:1e)+H DG O-20:1* 1430231.3590 1468383.7600 707119.3701 1502524.1650 1057750.7210 1923587.8080 3010811.9510 1055311.9270 1160055.0130 1956515.2810 DG(20:4e_20:3)+Na DG O-20:4_20:3* 218.8307 1377285.0780 3117655.8940 2062160.6370 2034415.8210 1619180.4440 991805.1046 3118125.7090 4344895.3750 4177843.8660 DG(21:4)+Na DG 21:4* 1083183.9300 1355332.6410 1128399.0330 3498199.0160 841861.7326 12255160.7100 2400762.4680 4475160.2640 5929345.6710 1987227.2430 DG(21:5e)+Na DG O-21:5 29909191.0500 8456759.7770 5439948.6150 3506300.8630 6247604.5840 13678336.1000 20017899.5300 10452061.7300 14120394.5400 7910759.9950 DG(22:1_22:1)+NH4 DG 22:1_22:1 20654498.0600 24223094.3200 22213254.5100 23460961.4600 22064712.8600 17825424.3700 11839306.3000 15016992 15191355.5700 10542352.5600 DG(22:2e)+H DG O-22:2* 1399585.8550 887493.7271 933341.6509 268818.7657 1327297.9480 1058398.6670 326111.5579 1620867.2040 1871868.1260 1698322.0010 DG(22:4_12:3)+NH4 DG 12:3_22:4* 38695962.7700 40975235.9100 34375193.3000 24263421.7700 19400215.8000 31854492.7700 30690424.1600 27782135.7200 28735364.7200 31211863.3500 DG(23:2)+H DG 23:2* 10362386.6400 9586658.4090 10901829.9700 10748884.8700 11025285.1800 1299845.6410 1392344.9000 2440187.2710 2870657.2400 1503347.3490 DG(23:5e)+Na DG O-23:5* 43056122.8500 43604167.5900 43518762.4000 49475663.3700 39338832.2600 42632726.4400 39860365.7700 44072076.1900 43023921.1700 35363996.6900 DG(24:2)+H DG 24:2 2132706.7510 27648671.9400 2977282.4720 839858.2507 1366828.9160 862774.2413 2834672.0030 1463964.2320 1549766.8680 1171602.3980 DG(24:5e)+Na DG O-24:5* 37634675.9400 42305583.8400 36960018.8000 47450818.6700 35005802.4000 40079884.5600 38245842.6800 41047881.3100 44060622.9800 33864580.4500 DG(25:4)+NH4 DG 25:4* 18379724.2600 7138654.9430 7379465.1390 4734734.5570 45103571.4000 28315921.9700 8748561.2050 9000131.1820 15396047.2800 15416067.4700 DG(26:0_18:1)+NH4 DG 18:1_26:0 11004309.5700 17119574.4600 11491476.1900 11560496.6800 10988144.1000 5972909.2330 3901736.6440 5954436.4520 5426310.2590 3696325.9360 DG(26:0e)+Na DG O-26:0 57524942.8300 65648875.5300 62045134.9500 58370721.9900 58500365.4000 78224765.9200 65853598.4800 80957994.1400 82377335.9000 56618168.9800 DG(26:1_18:1)+NH4 DG 18:1_26:1 28815453.8800 29930301.0600 27132232.7000 26978693.1600 26431813.7500 19622865.9300 16242923.4900 18914521.4600 20699515.1200 12549860.6700 DG(26:2e)+H DG O-26:2* 29948300.3100 70066281.3200 74364915.6000 27467165.7400 42005428.1100 53623706.0700 66883036.3700 34679420.0700 35285773.9900 73723653.7400 DG(26:6e)+Na DG O-26:6* 16739737.9500 15122193.2500 15222005.2100 18453626.4300 14890844.5500 17713677.5300 13975513.7300 16549397.1900 18006938.1000 12692466.3000 DG(27:0e)+Na DG O-27:0 16833958.0900 18823071.1000 19763275.2700 16236816.3600 17440554.8500 26559631.3000 16136268.5100 22657488.7200 29876320.4700 20860630.3200 DG(28:0e)+Na DG O-28:0 610677636.2000 643907588.4000 662336526.6000 563183201 586588773.8000 805776013.6000 566202906.1000 782891091.9000 907819354.1000 647284003.8000 DG(28:1e)+Na DG O-28:1 10826226.3700 7618326.2230 7241966.0620 9919814.3270 11091617.3900 17872469.8900 15782313.7800 10328405.1600 12223292.9800 14388720.9000 DG(28:2e)+H DG O-28:2 269717819.2000 263585978 276604956.3000 233590982 258886343.7000 264232819.4000 191811007.9000 248203971.3000 288518417 192239280.4000 DG(28:3e)+H DG O-28:3* 7968107.7230 10998557.8200 8703671.0340 10711726.8300 8111008.4600 13917248.9800 14712866.2600 11048594.2400 15191842.7300 9812396.4460 DG(28:6e)+Na DG O-28:6 47922857.9600 49915648.8800 48603491.5200 54855440.0500 48894094.0200 53607512.1800 46019131.7300 53146516.8800 53833225.9100 38117047.0500 DG(28:7e)+Na DG O-28:7* 17537953.7800 18676973.9800 19390676.1400 21869070.0800 17540456.6500 20489049.7000 17301007.2900 18927067 22100252.8300 17677130.7600 DG(29:0e)+Na DG O-29:0 187204815.1000 216832792.5000 203171116.4000 197977470.4000 192594845.9000 262292112.4000 190364247.7000 266525873.7000 290702450.7000 214799097.9000 DG(29:2e)+H DG O-29:2* 78491372.4800 94031464.7500 85142125.6300 75512468.3900 76539777.6800 76199330.5300 62001896.3500 79066059.8000 86849896.4200 61545394.6900 DG(29:6e)+Na DG O-29:6* 38212395.7000 42790100.8200 47695834.9900 48144705.5800 36699215.4100 44023546.3300 41400089.9200 46155569.3800 48053520.7400 35990657.3800 DG(30:1e)+Na DG O-30:1 439557028.8000 513738626.4000 478978862.8000 443691877.1000 442999612.9000 781003061.4000 554404127.3000 796124602.6000 850314324.2000 645709820 DG(30:2e)+H DG O-30:2 267072141.8000 223133483.5000 212227122.9000 222048881.9000 196637909.1000 196954373 141355184.5000 161999764 200437035.6000 119992571.5000 DG(30:3e)+H DG O-30:3 47475990.3100 19083858.7200 46906181.1800 66608097 29024733.8700 26450004.5900 24509696.9400 19330646.6400 23365614.1000 18234610.3500 DG(30:3e)+NH4 DG O-30:3 6461013.9130 6193557.9910 4911530.8680 5606401.9150 6203719.4360 6199719.8550 6541580.6660 6960228.1070 8270638.6050 1407590.0080 DG(30:4e)+H DG O-30:4* 9667679.7770 7206453.8670 7495807.6550 9121619.9790 7618193.3530 17008372.0200 9330785.9630 12341567.9600 14818510.4800 15276001.4500 DG(31:1e)+Na DG O-31:1 41472918.8900 39051048.1200 36504084.8900 34533012.7300 36961183.4700 2306124.6680 26977684.9400 35030275.2500 46398245.9600 29028685.1600 DG(31:2e)+H DG O-31:2 312691896.3000 377499541.1000 357826643.5000 342255798.7000 330371243.2000 299813154.2000 255472510.6000 324818869.6000 337227768 253941301.7000 DG(31:3e)+H DG O-31:3 30706415.5800 36086579.0800 33323395.1300 30111120.4400 27143519.1700 35058247.9300 29207942.6100 35251390.5800 34403093.2200 24260468.1300 DG(31:7e)+Na DG O-31:7* 12304545.7400 15103430.5800 15319535.2700 16362686.0200 13198816.0700 13215078.8400 12944858.7300 14736958.6000 16322588.1200 13241815.3800 DG(32:0e)+Na DG O-32:0 13658428273 5539773042 4571060596 15518610263 11879471762 7186551209 12827600595 5359910730 5061245094 10950101146 DG(32:1e)+Na DG O-32:1 3031273563 3130755488 3092796073 2947366893 2924983669 4547736928 3720846545 4451244240 4774874679 3868163243 DG(32:2e)+H DG O-32:2 38354136.3800 43582793.7600 35062192.9400 38410076.9500 36801168.4100 64081367.7300 64608004.9800 63945289.1400 76470666.5200 53885736.7900 DG(32:2e)+Na DG O-32:2 191338028.1000 211108014.6000 204135307.5000 190791967 200655858.7000 327194726.3000 221776117.8000 336431067.3000 350902364.2000 236893834.8000 DG(32:3e)+H DG O-32:3 35356366.0500 29921705.5300 26126850.4300 21738088.2200 37106503.1500 43459877.9100 35202890.3200 57932702.0500 49271682.8800 34125178.6000 DG(32:3e)+Na DG O-32:3 1155591.0790 948655.3220 671114.6498 626488.2827 1026610.8870 1623940.4930 1530972.5400 1460953.5690 1707566.7050 1034235.6550 DG(32:4e)+H DG O-32:4 5891380.9420 5187416.9320 5079947.3130 3394006.7040 6298406.9410 8191653.0660 11028400.6600 10024483.4700 9889304.6940 6702869.9170 DG(32:5e)+H DG O-32:5* 13732981.9200 13900472.6600 20789582.0400 17431616.1900 12342611.3900 8524174.4220 27742817.4800 10109121.7900 12114465.1300 22523522.3100 DG(32:7e)+Na DG O-32:7* 11481247.6000 10858621.5900 10588519.1200 12832313.5700 13883768.3300 12727038.1500 10862547.0200 16549399.1100 13653958.5500 9502416.6750 DG(33:0e)+Na DG O-33:0 1123301522 1094346041 1053517546 1083212065 1121336378 1205783263 898248112.7000 1215643250 1184198424 914561872.8000 DG(33:1e)+Na DG O-33:1 98997418.6500 91780341.2900 76818941.4900 78242638.2400 104122801.4000 169266272.8000 156253701.3000 182296113.2000 198953906.4000 144756044.3000 DG(33:1)+Na DG 33:1 9763633.7510 9064915.8460 5760022.2950 9716847.4940 10536799.2900 17085851.2600 14940048.9100 18513916.9200 17784505.1800 12769013.7300 DG(33:2e)+H DG O-33:2 440134392.1000 462496576.5000 423592462.9000 432470488.3000 436116350.5000 387386166.6000 308371508 419680010.6000 389942000.9000 309319690.7000 DG(33:2e)+Na DG O-33:2 45807829.2000 45668549.4800 53129771.9700 43578145.1600 52102370.4500 55237362.7100 53035002.7000 60663094.7200 63697681.7800 50759247.1000 DG(33:3e)+H DG O-33:3 114588856.6000 110949775.1000 97213025.4700 107110741.1000 116136921.8000 190149712 185146616.4000 207561699.7000 235667231.5000 146994761.3000 DG(34:1e)+Na DG O-34:1 2349313476 2306741472 2173517856 2257375300 2518009444 3463368012 3043321470 3333868475 4218993521 2598580765 DG(34:2e)+H DG O-34:2 135310997.5000 128546460.7000 126551544.2000 101704867.9000 113717870.1000 173204688.6000 154728425 152742315.5000 67219610.2600 127088826.1000 DG(34:2e)+Na DG O-34:2 232104669.9000 270447309.9000 252034321.3000 222373903.8000 276573479.5000 427434851.9000 323827584.2000 396039622.7000 473709641.2000 290744574.4000 DG(34:3e)+H DG O-34:3 2272524011 2455580212 2310639299 2222986996 2630070330 4079931074 3492463843 4063239262 4761160715 3106405406 DG(34:3e)+Na DG O-34:3 60564893.7300 59290765.2700 57887931.0500 51623739.4000 56352780.7600 5784901.4350 52482567.1800 60442499.4300 66160856.3700 53636218.4900 DG(34:4e)+H DG O-34:4 236300343.9000 202964576.4000 189847218.7000 136875474.6000 353647812.5000 275992425.6000 354291254.5000 352827314.8000 502670739.1000 354725442.6000 DG(34:4e)+Na DG O-34:4 30087690.7400 33032988.6400 27337862.8000 31657167.7900 33705593.5600 45657242.6800 35722573.3200 58922042.0300 54352149.5500 34404112.9500 DG(34:5e)+H DG O-34:5 191785071.7000 211655887.3000 204052429.1000 190938751 201515960.9000 333983267.9000 218103915.6000 336619188.2000 354208408 276137713.7000 DG(34:5e)+Na DG O-34:5 528729.5096 4258960.3430 1842240.3000 2387112.4990 1735363.6070 3667128.2570 3093374.1640 3701416.0910 7023093.6370 2876549.6820 DG(34:5e)+NH4 DG O-34:5 2504858.6670 2943061.1310 2505449.9240 2776974.8690 1519385.9720 2823605.6870 4464497.5060 3105599.9980 2553304.8260 2273750.8180 DG(34:6e)+H DG O-34:6 1161493.5690 949273.0708 630597.4351 626938.7101 1030811.1350 1633741.0320 1576563.4100 1465805.8590 1709136.2470 1025782.4330 DG(34:8e)+Na DG O-34:8* 14831845.6100 12864322.8600 14618471.1000 15788083.6900 12752303 15174826.5800 12374707.9900 15172366.2900 15179957.9800 11349784.3500 DG(35:1e)+Na DG O-35:1 82074634.9400 93551436.2000 79198284.2300 82672750.3400 83562128.4800 101974780.6000 105077476.3000 108604316.7000 120647634.3000 88904909.4700 DG(35:2e)+Na DG O-35:2 151167418.3000 118134207.8000 99483497.5600 74132405.3700 154301011.4000 155407757.6000 132804445.9000 189480423.1000 164170796.6000 115096086.1000 DG(35:3e)+H DG O-35:3 27600706.9500 37356549.7600 36481466.5500 34161793.5600 28868762.2700 43438554.9300 46240230.5100 40091911.9500 48239927.0200 33262630.0700 DG(35:3e)+Na DG O-35:3 43267001.6200 32169997.9000 21888906.6700 25108292.0600 45703696.9800 62847973.3500 35239447.7200 48570285.2000 48913235.6700 28467682.0700 DG(35:4e)+H DG O-35:4* 71060565.2900 49971463.4900 43620647.9600 36083585.7400 69443727.5900 87417395.0400 56290139.7900 102327655.9000 92059985.8700 57794610.9900 DG(35:4e)+Na DG O-35:4* 5856020.1700 5830493.6060 4172268.9170 4528381.9480 6368156.9120 8382871.1050 16512692.7200 13091968.9000 13505161.3800 9186157.1650 DG(36:0e)+Na DG O-36:0 9492115.4200 12100031.2300 11204006.0800 13509906.8500 10993552.5800 7590090.7140 8695291.9450 9039882.6390 8003407.1360 6615181.8000 DG(36:1e)+Na DG O-36:1 88320418.8300 96947359.3000 87977272.7900 101142676.7000 91447921.4900 54005875.6800 53286439.2000 68178810.7300 67175401.7400 46835690.4700 DG(36:2e)+H DG O-36:2 83487321.4400 108350639.9000 100475806.7000 92580337.6600 85779561.0100 126795318.6000 129819503.4000 114348417 43919228.2300 113282123.2000 DG(36:2e)+Na DG O-36:2 221527446.4000 142081861.5000 136487249.6000 125666153.9000 202249280.4000 130124241.6000 111558388.9000 122085237.6000 111664764 122036829 DG(36:3e)+H DG O-36:3 2281723030 2386880209 2201995827 2202817843 2373153231 3238561527 2985309676 3332126283 4054628974 2499667781 DG(36:3e)+Na DG O-36:3 212434031.5000 175470532.8000 129878921 127746625.9000 191756513.1000 218077936 176489236.8000 244008535.2000 233298520.9000 144636855.6000 DG(36:4e)+H DG O-36:4 6412804757 6521392150 6567275057 6060829512 6141876138 7813820704 6835348108 7781694956 8572682856 7041821344 DG(36:4e)+Na DG O-36:4 649534993.1000 557943591.2000 507962407.5000 580009281.3000 627185644.3000 830286541.9000 634335755.5000 724705925.7000 841684956.3000 514256690.1000 DG(36:5e)+H DG O-36:5 944189970 877459706.1000 941059309.5000 832181695.2000 914853831.6000 1266697512 1055977429 1469015824 1521833884 1090709107 DG(36:5e)+Na DG O-36:5 137162330.6000 151388932.1000 125918925.9000 151148465.8000 146817172.8000 266632396 288362129.4000 288256471.6000 305136689 246500810.2000 DG(36:6e)+H DG O-36:6 478819839.2000 420813004.3000 335902601.4000 274944129.8000 502453661.5000 612727782.6000 626996214.5000 869235200.6000 861281999.7000 542494438 DG(36:7e)+H DG O-36:7 100397171.4000 33486054.8800 28734862.1100 31387231.2400 32966121.4000 149236004.7000 35416725.9800 101689346.9000 172991829.7000 98203392.8600 DG(37:1e)+Na DG O-37:1 30607059.5300 15322685.5800 19202309.1900 11424132.3900 33231865.9400 13357269.3200 16819544.3600 29887408.2200 22910535.4200 19824756.3200 DG(37:2e)+Na DG O-37:2 86249030.3800 54672878.3200 46588078.4900 31058698.0200 97887967.8500 69973932.4400 6601001.5630 92508376.9300 57249851.9100 23618359.6400 DG(37:2)+Na DG 37:2 25131110.0900 31937819.4000 25085153.8300 32940476.2600 27456551.1400 19795367.0100 19002776.7200 25099427.0500 22831679.8300 14057354.3400 DG(37:3e)+H DG O-37:3 27418458.2300 34454840.7200 29318130.1000 27740323.8700 28697024.4000 37445634.3600 37503126.5600 40783979.7300 48801278.0400 31395210.3600 DG(37:3e)+Na DG O-37:3 17814325.4200 14983471.9900 14503331.8700 1148573.9950 19012708.8500 28045243.0200 26967582.1400 32524749.6300 30855721.8600 25071943.2800 DG(37:3)+H DG 37:3 3034016.2540 4927094.5300 3885474.6050 4374475.0060 3562299.2920 1577177.8700 2778662.2150 2209738.5890 1889018.6830 2605276.1440 DG(37:4e)+H DG O-37:4* 20836930.9900 16728563.7800 16220039.5900 12176360.2200 18831858.9300 22551863.2400 21927416.5100 6918221.0370 13261157.0300 12247493.8700 DG(37:4e)+Na DG O-37:4* 38432192.3900 50098928.0900 23401124.5400 24704532.3900 43159845.6600 41536617.8500 41488316.9300 62880814.4800 53088852.8400 37537558.3600 DG(37:5e)+H DG O-37:5* 14242454.0100 7390417.6830 8637863.5590 4416269.9550 15198836.8400 9707966.0440 9640940.0970 15257697.5700 9571391.1680 9824311.2400 DG(38:0e)+Na DG O-38:0 30212110.0100 23725018.3700 22468159.1200 23983130.0100 30814587.7900 18876891.1700 12067147.1400 16153659.9800 15790569.7500 6166017.5280 DG(38:0)+Na DG 38:0 20980405.8900 25537821.8900 22659685.0300 23759503.7200 21798406.1800 16190926.5500 14909633.9000 18467894.7000 11418743.5900 11680585.6500 DG(38:1e)+Na DG O-38:1 71191489.8600 40243889.5700 65045708.3300 46719476.0700 40362046.7300 56443747.8800 67017384.1000 72526929.8300 86792671.6400 54073551.1100 DG(38:2e)+Na DG O-38:2 154169719.4000 157380457.8000 144071545.2000 144244886.6000 147702566.6000 149375352.7000 102227319.2000 123901125.6000 100571890.9000 94434455.2700 DG(38:2)+NH4 DG 38:2 10430160.4100 14243045.4300 13275343.2800 10924316.5400 10974616.6100 11832721.5500 12107331.4600 12574514.1400 12249564.1300 10892787.0800 DG(38:3e)+H DG O-38:3 84511783.2900 85617546.2600 82488967.8100 83608901.0300 81822159.9700 93631649.6400 85322078.9700 94011384.4800 106831288.8000 68526284.3500 DG(38:3e)+Na DG O-38:3 58329724.5000 46896995.0200 53889940.5900 48655667.3800 54652509.4000 50824845.5800 49653138.8600 52501365.3900 60546148.6900 48132755.1600 DG(38:4e)+H DG O-38:4 602005402.9000 497271779.5000 487357911.8000 382453656 737782812.9000 374995593.3000 428639502.2000 553774363.4000 469338101.3000 347635373 DG(38:4e)+Na DG O-38:4 45162665.5400 39602288.5900 36948366.5900 35963469.3400 53257703.9500 47652811.0700 67267616.6200 67108821.8300 74961404.2300 46805900.6400 DG(38:5e)+H DG O-38:5 198721554.1000 163254880.1000 119641970.3000 110817243.5000 155093183 153609574.7000 181655815.1000 161786367.1000 165896905.7000 116483650.2000 DG(38:5e)+Na DG O-38:5 21304923.6500 17679937.1300 16865727.1200 16537878.0300 21014917.6900 24968467.9500 20139897.4600 31217415.1300 33013432.3100 24769948.8400 DG(38:6e)+H DG O-38:6 212614639.3000 169419490.9000 147839558 111271346.1000 250336763.1000 174800313.9000 173789669.9000 239459100.4000 198826991.8000 158222826.5000 DG(38:6e)+Na DG O-38:6 386761695.7000 413856516.1000 410938787.9000 393551028.3000 387060497.6000 519244758.9000 501240707 631062690.2000 618566669.5000 480306688.9000 DG(38:7e)+H DG O-38:7 49794270.3800 55730359.9200 50640458.8700 50902648 50965456.9500 90730171.1300 74219539.8200 93002072.8100 102726641.5000 76346449.9200 DG(38:7e)+Na DG O-38:7 16891850.1700 18768460.7900 15631096.4800 19749235.9400 21883181.6700 22808165.0900 19499764.8900 24038355.1500 29519513.8500 19495862.1900 DG(38:7e)+NH4 DG O-38:7 29203116.1800 33576452.9800 31193830.4500 34906350.9600 31705351.2100 30235454.7000 41756837.4100 43152968.3100 34873333.0700 37691933.5400 DG(38:8e)+H DG O-38:8 91350784.1100 97742009.6200 77166769.4500 86481119.2700 86328378.9900 107783536.7000 92801903.0100 104571185 133888239.9000 80922696.9200 DG(39:2e)+Na DG O-39:2 15911718.6400 8380143.1010 14205092.6900 10669421.3500 12970606.3800 14822725.1600 4257635.4280 10383599.9700 11699753.1100 7961561.6460 DG(39:5e)+H DG O-39:5* 35408311.2900 28220686.7800 23917293.3700 19667319.6800 47169725.2000 32761686.9800 17883058.1700 38009981.6500 27339244.7000 20521693.3700 DG(40:0e)+Na DG O-40:0 22246804.2700 25615907.4700 22712686.3100 21141669.7400 18955095.1600 32100616.8900 26760020.2700 26253284.4000 32543608.3700 21212499.3700 DG(40:1e)+Na DG O-40:1 23024617.4400 23312947.8500 20130040.6100 19205251.6900 21808730.4600 30528496.2000 22532973.9600 25879358.2400 34163342.8000 18177926.4300 DG(40:2e)+Na DG O-40:2 9692243.2530 10961557.8100 9203170.0350 9860587.7000 9706920.9310 5855482.8070 4447974.2470 11361452.3500 5400991.3890 3772065.5550 DG(40:3e)+H DG O-40:3 25948825.9400 17062050.5100 16301086.8200 4398985.2230 22139769.3400 35369402.2100 34438386.3300 40441161.3200 42410302.2500 25761167.5000 DG(40:3e)+Na DG O-40:3 12539852.2700 10291046.9800 14608527.7700 15372930.0800 14324260.2700 9564295.5600 8138024.3490 14751360.8100 11186609.5800 11871775.7800 DG(40:4e)+H DG O-40:4 88852650.1100 8009239.5930 1516329.4050 9724381.6620 7473462.1810 613320.0102 1317226.0090 1272893.0290 7039640.0870 76645863.5200 DG(40:4e)+Na DG O-40:4 17128091.9000 12789721.1400 3425375.0660 12772625.4500 17224796.8300 22357381.0500 14593106.6400 21656615.0200 17474157.5900 17296669.1700 DG(40:5e)+H DG O-40:5 11385064.7200 44594146.5300 26523375.0400 31577133.4200 6532023.8820 7227479.6380 27570960.8900 5401526.8110 22219860.7400 4880149.7330 DG(40:5e)+Na DG O-40:5 77433527.5100 84239890.3100 69729179.0700 64531839.4900 66317577.3000 110325110 89825661.0100 154058619.7000 138209969 116902966 DG(40:5)+H DG 40:5 50521043.2100 68429897.3600 54596697.4200 66567897.3300 56191340.4400 34861529.4900 38105844.0400 36150969.3800 31772905.4300 26124077.6900 DG(40:6e)+H DG O-40:6 20790581.4500 24615752.3000 22744070.7900 23057605.2900 22387846.7500 17625448.5100 16494614.6700 20441336.8300 19495679.0600 13837238.3700 DG(40:6e)+Na DG O-40:6 71774165.9600 62556464.9500 65315402.4000 61805864.0100 71146232.5500 81967999.6200 64169005.8800 91327189.6600 83271441.3900 61709720.1900 DG(40:6e)+NH4 DG O-40:6 9769046.9810 14806191.5400 16851451.5300 16583210.4200 15619386.2700 22348538.4600 23436584.7000 25441578.1300 26416906.1500 23388445.1900 DG(40:7e)+H DG O-40:7 19861324.2700 16357319.5900 18126687.9200 14013493.7100 16113370.0600 15956968.4000 12421033.6600 18301503.6700 16791347.3700 15120907.6300 DG(40:8e)+H DG O-40:8 3828368.6530 3430245.2150 4393737.1980 150062.7875 1358740.6610 3260906.0320 6184393.1580 9899532.6750 4343687.5140 5510743.3790 DG(40:9e)+H DG O-40:9 385978541.5000 413473415.7000 410958756 393535004.2000 386519293.3000 519225267.2000 501117626.6000 631085367.5000 618576597 480294618.8000 DG(40:9e)+Na DG O-40:9 91351520.1200 88441178.5800 87311167.9500 101186527.3000 85169480.0200 93003744.4800 78557344.0700 96078655.3600 103849297.9000 75378095.1400 DG(42:0e)+Na DG O-42:0 11515333.2700 14020344.2100 12952587.6600 13519426.7800 12973933.2500 6212419.9040 4759568.3650 5882182.0310 5664229.3720 3486497.7240 DG(42:10e)+Na DG O-42:10* 5520181.0850 5810796.3170 5969219.5410 6538854.9860 5093044.7200 11188099.7800 12144400.0400 13489085.1600 15654441.9400 10400828.1300 DG(42:1e)+Na DG O-42:1 24970175.6500 23723767.5400 24355696.5000 26886152.2400 24194460.0600 16796328.6200 14184789.4000 16288732.4200 18350708.1200 12290816.8900 DG(42:2e)+Na DG O-42:2 4519316.7490 5040800.4440 9581607.6440 9983475.3040 4850539.6290 13839016.6100 2959504.1670 7384806.3080 10391362.8700 10213394.4800 DG(42:3e)+H DG O-42:3 23077422.9600 30131763.0800 27039773.8400 34252626.2500 22484457.5300 40088467.5500 37887073.8300 35191608.6000 47193732.9400 26395669.4500 DG(42:4e)+Na DG O-42:4 14087295.6900 14740728.6800 11998481.8700 14670164.3600 14539248.3200 21492838.7100 19047540.2600 20187594.2300 29823543.9500 19554388.6800 DG(42:5e)+Na DG O-42:5 393053031.2000 441322372.7000 342376531 378503517.2000 431664461.6000 390766764.4000 345331711.4000 515900164.6000 481206191.6000 326670359.5000 DG(42:6e)+NH4 DG O-42:6 7445153.3440 26718679.5900 13451418.9400 36329992.4200 6855963.4350 6051848.6150 15884731.2700 1171085.1550 6398553.8100 7795085.0480 DG(42:9e)+Na DG O-42:9* 14003911.2400 12976440.3900 12633796.8300 16408959.9400 12316086.7400 14713317.1300 13140445.2200 15072307.6100 14100919.9100 11706072.4000 DG(43:5)+H DG 43:5 8023525.5040 10488366.0100 9387561.7010 10508324.0300 8831575.9850 5789063.6400 5029249.2430 6360100.7750 6341243.1910 3975845.0440 DG(44:5e)+Na DG O-44:5 26459854.8300 21835105.7300 21991861.4300 27462590.7400 27205576.5500 19195257.7700 16272946.9400 32789579.3900 30326999.4900 17058298.9200 DG(44:5)+H DG 44:5 134963294.6000 148840703.5000 135107772.8000 145635675 143132123.7000 105092883.7000 88716194.5600 109993139.4000 107892828 73073031.4100 DG(48:2)+NH4 DG 48:2 56638437.7800 59775019.1600 55299074.3300 56309078.6200 55597727.2100 77510443.7100 65680488.0800 79273105.9500 77214702.4700 60528445.9100 DG(6:0_10:4)+H DG 6:0_10:4 40021797.5000 43110070.8000 41828284.6900 26124435.7200 29232259.0400 39715059.1100 39994321.9400 40344780.1200 26513724.5200 34291571.9500 DG(8:0e_10:4)+Na DG O-8:0_10:4* 27476005.7700 31720462.4200 27352821.9200 31858513.3300 26750550.1700 30688053.6300 25445974.3100 29645232.7400 33022951.3000 22796754.2600 DG(8:0e_11:4)+Na DG O-8:0_11:4* 16179806.5300 21854547.8800 20747782.5600 22281072.0300 16152972.1800 19339442.9100 17268620.2400 18620513.7500 21078111.0300 14379914.7800 DG(8:1e_22:6)+Na DG O-8:1_22:6* 84593422.3700 94052399.7200 90749040.1900 106103437.2000 85487741.4100 92552029.8700 81160896.4600 93103252.8900 104612308.1000 75043987.8200 D-glucosamine 6-phosphate Glucosamine 6-phosphate 53487.7209 59901.8840 52992.2088 48589.4520 59025.7237 68336.5276 72849.3137 85457.6026 81129.9099 102435.2658 D-glucose 6-phosphate Glucose 6-phosphate 119942.4907 120005.1557 116811.1265 120277.8439 132654.4299 85163.1124 104378.4968 183157.4788 177305.8970 131004.2184 D-glutamine D-Glutamine 11162.3603 19832.0109 21420.9949 16972.8006 22812.4231 16695.0510 13148.6656 23854.6167 22098.6425 22424.0265 Diadenosine triphosphate Diadenosine triphosphate 1067.6046 2199.3775 1801.4094 1520.8146 713.1794 4067.3584 7714.3529 2681.8193 1479.4630 1108.6353 Diaveridine Diaveridine 163988.8612 167176.7207 172041.9093 178958.9682 144702.5177 173904.1737 149962.8405 160538.9763 169854.1534 179844.9351 Dibenzylamine 32590.0733 32828.6191 36633.9320 31553.0149 54425.2821 33512.8636 44490.0057 39911.9486 26935.6968 36830.2126 Dibucaine Dibucaine 1215819.1000 1637858.6540 1540669.0010 1664724.2420 1733882.1320 1562004.2580 1591556.9380 1546414.5310 1435669.5000 1339375.6530 Dibutyl phthalate Dibutyl phthalate 198874.6384 218079.0304 177101.0852 206630.7401 325755.5694 166470.0494 198728.7852 170992.7756 319212.3956 244547.2836 Dibutyryl-cgmp 77.9074 430.1567 6052.8122 3939.6655 167.7337 10303.5391 8573.1597 597.1525 1007.4650 1788.1249 Diclobutrazol Diclobutrazol 18588.4752 20003.8210 22103.1263 13275.8228 17780.7384 17033.2643 17021.1502 16992.5731 16947.3803 26975.3954 Diethylstilbestrol Diethylstilbestrol 4516.3525 4965.1591 4929.0907 3512.5766 4465.7615 4321.5608 6421.6577 5032.1405 6240.1380 5388.2066 Dihydrofolic acid Dihydrofolic acid 1513.4724 1133.9062 776.0814 1659.1717 956.8872 1897.4343 5840.8869 3753.2356 2259.6183 3220.3185 Dihydromethysticin 3313.9448 1734.8946 1701.1810 2552.0854 3998.8115 871.8606 1389.4196 1558.2131 1339.2209 3402.5561 Dimefox 1133137.4160 964646.3921 745072.6480 1887554.0980 2218592.8170 295380.2301 184501.4814 258899.1423 280133.7989 259027.8841 Dimethyl sulfoxide Dimethyl sulfoxide 736733.3350 650487.4545 724450.9995 667385.3304 623129.1153 507325.3975 492394.7045 704068.0696 645345.0616 642779.3457 Dioctyl phthalate Dioctyl phthalate 214325.8139 210705.7673 147233.2401 165310.6174 473636.2094 138905.7590 251955.9076 153069.0444 347995.3949 228988.0570 Dioscin 1093.8799 1206.5883 1897.5894 1117.3864 754.2035 515.2691 516.4606 1060.0018 2762.6240 1499.2935 Diprotin b 28295.5068 23985.0481 23465.2607 6211.4797 15006.5256 37170.8392 24740.6896 32560.5915 22011.2179 33182.8052 D-lactosyl-.beta.1-1^-d-erythro-sphingosine 559.1227 1204.9105 1506.3720 241.0254 113.6460 6014.0773 3695.6047 1036.4383 1405.8701 1145.5265 Dl-a-hydroxybutyric acid 2R-Hydroxybutyric acid 37155.9934 32822.7967 21225.4301 39274.1301 20284.0925 20934.2514 29593.4418 30836.2878 18995.1923 23983.9630 DL-arginine Arginine 614341.1934 601172.7970 670575.0869 772098.2712 518712.1173 2836260.4700 2739617.1760 1380242.6460 755212.1319 1189879.9730 Dl-.beta.-homoleucine 4839.9471 5248.6567 6826.1601 5473.6869 4785.5820 4734.6977 9314.0860 10008.2308 9442.7325 12884.1629 Dl-cystathionine Cystathionine 409328.2537 277619.6083 446481.8617 239677.7063 596268.7255 322624.4660 553929.1898 394092.9319 422149.2558 574096.5533 D-leucinamide_ n-[(phenylmethoxy)carbonyl]-l-leucyl-n-[(1s)-1-formyl-3-methylbutyl]- 21273.7105 27536.4152 22358.4926 18880.0626 18520.9488 20246.7356 15173.0494 16834.4278 16056.7244 16106.2650 DL-Glutamic acid Glutamic acid 73865.9052 76845.7484 79194.6658 52981.7978 75282.4428 66597.3968 185058.0651 74940.1100 101411.0950 79060.6220 DL-Indole-3-lactic acid Indolelactic acid 7823.4476 3443.1789 7575.6338 5013.6848 7106.6826 7510.7440 10732.0852 6607.7554 9173.6870 9558.9358 Dl-lanthionine 6447.1188 9541.4097 9698.7780 7326.0498 6884.7970 11809.0570 10763.4624 16843.6085 15631.5646 17252.5195 DL-leucine Leucine 2241.1277 1200.5987 1820.4267 884.3449 1269.1723 6718.2648 3382.1866 1985.9310 4091.9041 1536.8138 DL-Lysine Lysine 99483.3940 143064.2873 103205.7278 145170.6104 112742.5077 115291.8395 135278.7085 136458.1566 188958.8244 135599.0036 Dl-octopamine 716961.1202 716421.9031 705204.2137 524372.7773 667782.9504 296337.9830 739585.9251 820064.9415 714375.3111 832596.0979 DL-phenylalanine Phenylalanine 467427.5055 1006915.3740 2374933.5890 176706.4002 236636.2224 3952873.3350 3985488.6620 1749469.8410 1966887.5260 1857413.4010 DL-proline Proline 23363.4382 63425.0920 220565.2734 16479.3973 21727.5237 2115470.2990 738699.8141 139053.1204 136093.1143 159447.3195 DL-serine Serine 24981.8439 31562.9030 38545.9111 34710.2110 39830.1825 14950.6349 39951.4785 48771.4724 45104.8165 43721.1490 DL-tyrosine Tyrosine 516029.5598 513312.9861 514156.5202 387374.0479 469826.8867 250400.9085 630086.6336 575158.9085 571548.2702 605732.3331 Doxazosin Doxazosin 19459.4852 20866.9742 24198.9997 14755.2763 24535.9626 14885.3321 16126.1942 17956.2848 19670.9027 26139.0651 D-Pipecolinic acid Pipecolic acid 100683.9286 156134.8803 153422.2291 160098.7977 149218.4044 149367.4623 159088.4906 162088.9091 216811.9927 167548.4445 D-Proline D-Proline 58292.1833 63979.2197 61166.8454 62310.2209 70656.4047 64660.1984 70131.8838 55874.9440 45583.6917 112970.7398 D-pyroglutamic acid 1508406.1620 1559776.0450 1703617.3770 1486952.3970 1571184.6310 1433977.9540 1824285.4400 1820695.6280 1886202.0050 1795820.6160 (.+/-.)-dropropizine Dropropizine 25953.7188 25950.3398 25385.0688 24728.7556 32236.0687 16075.0639 18379.3175 25583.8205 29358.8830 26312.4853 Ebastine 11611.5635 5883.3900 6491.4014 6084.7915 4368.5614 6099.6550 34550.3727 8156.5684 11002.0838 5305.2782 Echimidine n-oxide 42809.8889 42097.9141 64121.4284 52131.6382 58237.0638 64293.7837 58670.4757 37879.6349 85103.7921 44697.7648 Echinocystic acid 49511.4054 85503.0924 76408.0008 81365.7072 31095.8888 104457.8951 61273.9806 67140.2577 67202.4390 47229.8548 Eflornithine 30458.7096 35976.9483 27196.4058 38037.1811 30728.1988 42012.8561 34974.2429 37380.4123 48270.6316 33576.0939 Egtazic acid 6173.5405 4638.3946 6391.0290 4544.7026 5621.5400 4302.8098 4946.0107 6377.3542 4985.9710 3513.8072 Enterodiol Enterodiol 8189.0706 10107.9995 7273.3295 7687.1388 9005.8170 6069.3802 8455.6055 8687.4383 9919.6033 8081.3958 Enzastaurin 5613.6544 6785.5830 5274.9510 5542.4531 3523.1842 5191.6503 9987.6710 8271.8969 5351.6951 6654.8199 Eplerenone Eplerenone 6793.9029 7376.2855 6428.4768 7569.7964 6646.6314 2152.3837 2800.2776 3243.4257 4339.4535 3056.6013 Ergocristam 5220.9067 6799.7190 7131.0748 9194.6148 6327.0141 10785.0498 29670.8465 14030.6488 8052.9758 12085.8321 Ergotamine 4313.5339 5826.6099 8280.6232 5398.9409 4756.0169 8618.1772 7994.2383 8603.3626 7806.9363 9333.6969 Ergothioneine Ergothioneine 3104.9245 3256.2363 2604.3725 3555.0927 3626.2179 3719.5603 3661.7308 2220.5411 2701.3585 3153.2235 Erucamide 13Z-Docosenamide 10645260.1200 7633295.9060 7450822.6420 13113951.1600 8679770.7480 4405230.8230 7767452.3870 7537887.2370 7764513.4010 7260797.6020 Estriol Estriol 8863.7598 4163.4865 5161.9650 9259.7607 5334.0562 6656.6494 21052.1789 7206.6100 8176.9056 10604.6427 Estriol 16alpha-(beta-d-glucuronide) 14800.1974 12729.5322 16722.6551 13480.8437 13862.2554 17079.1192 26280.7408 23163.4278 26891.9623 26880.2139 (.+/-.)-ethylphenidate 9051.7618 9353.8443 14374.2306 7897.1424 7191.6704 16764.8890 17678.5274 13121.5534 16197.9621 12005.9827 Evodin 37437.6534 39220.0149 43530.6611 34093.5064 40210.5278 44409.6741 44670.6902 56073.2204 55434.5529 65810.5360 Fenpropidin 10731697.4300 10670084.1500 13223089.4500 10168499.8200 11699377.7400 12421753.9200 14921481.3200 13168924.5900 6953651.1420 10896903.2800 Flavin adenine dinucleotide (FAD) FAD 2901.0017 3513.6708 3373.9687 4208.9652 4028.3666 4186.4817 5497.4144 1578.8248 4092.2117 4098.2925 Flavine mononucleotide 12710.4078 14627.9240 15642.9540 12693.2046 13473.5559 10568.5883 12924.0117 12301.9262 13390.0745 14007.7617 Flavin mononucleotide (fmn) FMN 12966.1707 8218.0685 9689.1783 9475.1026 10219.0746 7985.7467 9820.5135 8959.0682 10908.2232 11133.2230 Flecainide 28263.4905 27597.1295 35524.3312 21862.1913 30108.6446 33809.4887 41015.0517 49623.7013 53858.5936 65808.1430 Flucarbazone 6930.4015 6702.1753 10645.2418 609.1982 1846.1516 7459.0088 7670.5121 10225.8559 6831.1267 9956.2982 Fluorometholone 5710.7252 7267.8653 4369.3565 5759.7984 4797.2861 5773.0723 7153.4618 4532.2276 3416.8834 4565.6831 Fluphenazine 11673.7861 6265.2640 8336.6044 6260.2894 7559.8403 7339.3274 24607.7904 6947.5945 7111.9062 9759.6788 Flutamide Flutamide 21526.6603 20432.8470 19533.0126 22240.8743 20237.6777 20440.6217 18807.4795 16030.1180 17421.3877 24535.7710 Folinic acid N5-Formyl-THF 7352.7503 6749.0944 7471.2737 7014.0018 8105.7686 8319.5577 12648.5019 10597.5708 12133.8945 5281.9479 Formylanthranilic acid Formylanthranilic acid 111884.9766 75266.8006 88056.4541 83658.6170 89112.0670 49519.7079 47114.5218 124048.2924 97600.0286 123489.8704 Forskolin 29254.8120 35817.4728 31135.2711 26868.3834 25428.1653 39328.9273 42006.9287 51066.9273 46906.9244 59975.4178 Furafylline Furafylline 5758.3422 6585.3024 4845.2756 5648.2900 6673.5004 5787.4881 5798.8641 6265.8574 11500.7163 12471.0929 Furazolidone Furazolidone 240993.4227 192559.7552 137219.8709 445312.3985 369580.1030 64548.1897 146812.3268 239623.5938 251398.0204 238738.7789 Furmecyclox Furmecyclox 81375.5758 40497.1761 123713.5887 101612.1272 97209.6155 281853.0149 219734.6166 121457.6188 92287.7865 97950.1079 .gamma.-aminobutyric acid gamma-Aminobutyric acid 77589.8021 65092.6282 60113.6978 68363.6320 67596.5677 78587.0146 73966.5095 67541.2453 3550.1713 23710.3728 Gamma-glu-glu gamma-Glutamylglutamic acid 63096.3890 70083.6636 76568.7958 51091.6753 80167.5604 64649.2714 63747.6447 83402.3499 77739.5740 98258.6215 Gamma-Glutamylcysteine gamma-Glutamylcysteine 10765.6918 10468.5317 10501.4600 13149.1193 11022.6811 7792.3385 9434.8351 12588.4246 10084.9946 13129.0478 gamma-Glutamyl-L-methionine 229139.0527 266516.3849 216317.3857 145963.9425 310853.1237 254920.2575 238395.1458 260043.7120 331774.7686 438833.5013 .gamma.-l-glu-.epsilon.-l-lys 60306.4256 72345.4833 62778.8431 51538.9869 77872.3626 127840.2828 148211.0967 143439.8558 167873.3508 88094.9510 Gamma-l-glutamyl-l-glutamic acid gamma-Glutamylglutamic acid 620436.6499 671843.1019 704357.4232 410109.9741 612847.0100 547396.3650 602598.5616 696448.8791 945006.8685 748172.5389 gamma-L-Glutamyl-L-phenylalanine gamma-Glutamylphenylalanine 23440.5017 21844.7629 19864.2531 15663.6881 21437.8031 23205.4772 31701.7746 31773.5535 28062.8701 31531.1381 gamma-L-Glutamyl-L-valine 178496.8096 186996.5851 169449.3696 120729.8364 174053.7810 284333.0133 373862.8975 365548.2221 461115.8618 320439.6925 Ganciclovir 1344.0610 2985.1530 2254.5777 415.1034 617.8290 1199.5363 2133.8748 2216.9337 1002.2753 1553.6708 Ganoderic acid h 855.6994 2318.9792 7490.8831 125.0050 302.0885 6634.2477 6336.7975 1654.1899 1835.7824 1984.1539 Gardenoside 4599.0951 4257.9414 4157.0654 3873.7142 4185.8155 4435.2571 3942.1856 4417.9356 4507.7129 4637.4028 Gemcitabine Gemcitabine 7287.9929 10793.2937 14462.1822 2638.1023 2977.3411 195339.3992 28660.0322 9660.0645 10807.1663 8927.5879 G-guanidinobutyrate 109844.3231 126737.0790 129160.2938 107769.7463 127814.2975 119989.7119 132099.3370 148027.6467 142523.8585 156517.9743 Gibberellin a4 564.2288 1079.5290 3463.7682 2812.3104 71.8411 9691.7611 5053.8237 1261.5827 744.0828 810.9170 Ginkgolide b 20115.3933 23701.6342 23552.5978 19668.4326 24505.3053 9883.8142 12606.0834 22919.1173 22308.1893 27459.3221 Ginkgotoxin Ginkgotoxin 36395.9685 1496.2510 26156.5639 18176.6031 19375.2018 11535.9095 186439.2582 15948.3794 233645.3297 13974.8111 Gln-arg Gln-Arg 27956.2238 20352.0116 45089.1392 24671.2667 26944.0266 41669.0602 50201.9051 34868.6351 35095.2503 35175.5352 Gln-Asp-Arg Gln-Asp-Arg 9242.1880 7590.1255 9968.0056 7138.8507 9030.2653 6457.9399 8915.0815 8876.4580 9285.5577 12086.3273 Gln-Leu-Arg Gln-Leu-Arg 10823.1297 10041.7339 9602.0192 10932.6905 10804.2444 6679.3262 11906.6797 11524.5009 10233.6813 13919.6764 Gln-Ser-Lys Gln-Ser-Lys 3620.7389 4423.6795 5463.7860 4024.2945 3792.8997 3683.3326 4841.7157 3300.0797 4188.5218 17048.4269 Glu-Ala-Arg Glu-Ala-Arg 90351.1536 97085.5351 103729.0575 89071.0759 115072.9540 102894.5535 108089.2300 111812.3058 107883.5762 130612.6172 Glu-Ala-Lys Glu-Ala-Lys 16274.0225 5847.0244 19269.5911 8420.3546 7478.4531 12932.5467 22508.6160 10324.2366 20940.7416 16687.9729 Glu-Arg Glu-Arg 14365.5186 13566.9061 15865.4335 13693.6290 18031.7204 15654.0947 14245.7464 16791.3267 19559.0222 28288.6953 Glu-Asp-Arg Glu-Asp-Arg 9245.4981 9837.2969 8784.3167 8776.7686 9014.4693 10775.8718 13344.1619 15947.7693 14648.6610 17946.7543 Glu-Glu-Arg Glu-Glu-Arg 10827.4089 9815.8865 10997.8996 7359.9938 8563.2456 11036.0721 10707.2162 12087.4402 11777.9007 14440.4319 Glu-Gly-Arg Glu-Gly-Arg 214240.4017 242378.1201 235405.7901 183244.4686 230473.9072 232773.5780 222635.0671 280248.1576 264949.0505 311467.3888 Glu-Gly-Glu Glu-Gly-Glu 354966.2961 369451.5898 436268.0521 188571.9026 338284.4335 423463.0058 387234.5770 366839.6430 468395.7999 635412.7946 Glu-Gly-Lys Glu-Gly-Lys 35595.3175 38525.2395 41649.3925 30949.1873 39049.9796 61325.3571 66770.4386 72810.2879 73576.6050 91853.1400 Glu-His Glu-His 52219.6091 142737.1113 55960.0902 44692.3685 57376.9758 157991.0587 83110.5723 101146.6011 91172.7944 85467.0812 Glu-Phe-Arg Glu-Phe-Arg 3022.6556 2336.6618 2865.1868 2045.4264 2786.0464 1888.5110 5746.3166 2644.4497 2299.8331 2757.9668 Glu-Pro Glu-Pro 33492.6705 23626.8794 27761.9692 31844.4418 17853.3527 22746.1570 22182.7644 19719.4264 18976.7086 12348.9557 Glu-Pro-Arg Glu-Pro-Arg 59821.2737 63912.9877 59820.8119 45900.9939 57941.3305 57716.4048 61438.5904 62327.2536 58824.5372 73517.6188 Glu-Ser Glu-Ser 9444.3140 9938.0274 8658.1210 9649.2905 8648.2090 6097.7247 9203.7538 10052.3622 10248.7221 10849.4459 Glu-Ser-Arg Glu-Ser-Arg 25666.6427 29597.0762 28187.0394 25385.2268 33594.2157 27714.5437 23059.8907 26824.9843 27397.3133 44647.5347 Glu-Ser-Lys Glu-Ser-Lys 36099.1511 38680.1576 42081.4064 32046.7793 42413.9043 42747.2249 53951.2590 65515.7112 70351.6989 87444.6758 Glutamyl-s-methylcysteine 50987.2041 64642.5248 119310.7260 58099.7767 38187.3277 126849.2463 27696.9812 21590.2449 24882.0751 22766.2355 Glutaraldehyde Glutaral 140067.1312 155710.0708 140448.3523 122342.0693 138720.3894 194077.4728 179335.8799 162588.2066 182249.8430 168006.4621 Glutathione Glutathione 20298.4831 20224.0933 48426.1210 21557.9887 19545.9653 21219.8603 10244.1824 12311.9904 10991.1696 20784.5579 Glu-Thr Glu-Thr 303110.0730 288599.4173 286658.7361 167788.5793 259152.1378 494897.4845 888383.8894 741858.5528 757600.0823 658531.3139 Glu-Thr-Lys Glu-Thr-Lys 37916.8882 41566.2638 41428.6950 32823.4654 40104.7252 49530.1161 63557.7780 66929.2808 67417.5665 75440.9808 Glu-Trp Glu-Trp 41755.6599 52783.6372 45027.6930 30543.6934 47131.1772 70466.5457 59696.8772 73391.5342 69998.9622 106019.9665 Glu-Val-Arg Glu-Val-Arg 10975.1537 15274.2229 16379.2476 11734.2696 15956.2844 14815.4821 19320.3293 23771.3137 37972.4417 22906.2974 Glu-Val-Lys Glu-Val-Lys 11209.9756 8664.6310 9043.2237 8726.9115 11519.2692 8011.7390 13507.3046 11211.9362 10137.2801 13426.1803 Gly-Arg Gly-Arg 6170.4961 8015.1688 17572.6848 4591.3706 5706.9384 2915.0611 7727.4436 4779.5239 20807.3573 4289.3018 Glycerol 3-phosphate sn-Glycero-3-phosphate 88283.7111 60897.5085 74158.2496 81779.1493 79062.3002 48369.9772 101502.7417 60807.9527 77651.0283 55923.6662 Glycerophosphocholine sn-Glycero-3-phosphocholine 47343663.3100 48519368.5700 47335662.8500 46461006.4000 47790211.0400 46773917.9800 48383614 50478216.8200 52044598.0600 54790817.8200 Glyceryl tripalmitoleate 5036.5661 10037.7566 6778.8394 4279.3297 8467.9922 6307.8481 7411.9557 5771.3305 12554.4889 6428.1231 Glycine_ n-[[1_2-dihydro-4-hydroxy-2-oxo-1-(phenylmethyl)-3-quinolinyl]carbonyl]- 13329.7505 10757.8053 21417.5711 13477.5550 28935.5295 2900.8234 3075.8155 3849.0997 3017.2720 5153.1772 Glycocholic acid Glycocholic acid 127898.8680 156881.0083 140860.2994 126355.3309 130195.3174 169265.8892 181784.6717 193904.5260 262394.3052 203481.9761 Glycoursodeoxycholic acid Glycoursodeoxycholic acid 4469.9280 4985.9517 4142.4372 4551.7241 6386.1618 2289.0054 682.2966 1979.6665 1981.0504 1844.0732 Gly-His Gly-His 6313.8465 12472.5172 10389.1367 5894.5342 11015.7348 7810.0532 39713.4105 41977.6467 41283.9459 14945.9979 Gly-Pro-Arg Gly-Pro-Arg 19551.9353 12541.3605 19270.9877 14425.0288 12671.4461 20041.4297 38212.6123 19978.6353 15333.7926 14898.7051 Gly-Val-Arg Gly-Val-Arg 15205.1141 14242.5220 16217.5303 13570.3107 15283.4013 12323.3006 21466.5222 14594.2441 15237.8849 14650.2500 GM1(t34:0)+H-H2O GM1 ( 34:0;O3)* 1275638.7590 2549016.8570 2226700.7670 2254794.2170 3400074.1760 3337747.2200 4280346.1980 4768056.1310 4777486.0880 2600095.9890 GM2(d34:0)+H GM2 34:0;O2)* 8344322.7850 9714473.8860 8935188.6120 8470200.6860 16691161.0300 7043218.9830 8873342.8760 12840126.3500 13887288.3000 10042935.1000 GM2(m41:4)+NH4 GM2 41:4;O)* 5413150.2340 8119369.2190 3502113.6400 4171117.4840 5358107.1950 8107258.6920 1789137.2820 3716500.4590 3680877.1690 5699259.4670 GM2(m42:2)+H GM2 42:2;O)* 24275233.9900 22942269.6800 25355247.9800 17921165.7900 27330268.3300 29587055.7400 29417183.0900 32530796.5900 37464339.7900 29422057.4300 GM2(m42:3)+H GM2 42:3;O)* 2640129.0900 8113602.5480 4550678.6530 8049187.4300 2063385.8760 3305936.9800 1431177.8600 3864487.5910 6132166.0540 4779319.2200 GM2(t32:0)+H-H2O GM2 ( 32:0;O3)* 4263223.8160 6085173.6980 3431747.2850 4760735.6630 6897918.1150 6567020.2390 5790376.2010 5439355.2840 6489178.9290 4633429.2970 GM2(t33:0)+H-H2O GM2 ( 33:0;O3)* 1676877.4350 2785321.3100 2271311.1010 2184195.8970 3119320.2940 2769691.3580 3689312.5940 3160450.4460 3892974.2790 2126612.1620 GM2(t34:0)+H-H2O GM2 ( 34:0;O3)* 110270520.3000 129783734.7000 124832792.7000 113548334.6000 170778990.9000 145638750.4000 246256573.6000 193788110 256064362.6000 161793183.1000 GM2(t34:0+O)+H-H2O 9107669.4000 13759208.8700 10971220.4900 10573278.1500 15126308.0200 17919189.6200 25038150.8200 21506585.1000 25904250.6100 16197078.8800 GM2(t34:1)+H-H2O GM2 ( 34:1;O3)* 2755214.4820 3854099.4190 3325464.9490 3610986.4440 3915392.4890 5680964.9710 5380107.7820 4845397.6310 5759525.3270 2831423.9520 GM3(d32:2)+Na GM3 32:2;O2* 1940062.6580 2857310.4820 2233071.1740 2217417.6390 2225947.3750 7199925.2060 8889684.2690 6800202.3630 12066862.9700 4714656.7390 GM3(d34:1+O)+H GM3 34:1;O3* 3889275.3220 4688637.3600 3728551.6130 3534594.3290 5617147.7690 5329244.1840 7210217.2480 6034885.2270 9472063.3660 4410449.8430 GM3(m37:2+2O)+H GM3 37:2;O3* 12747610.5700 12935720.3400 11060872.9800 9068875.1070 10756752 13879692.3500 13439123.8100 18142251.2800 21748807.1500 14435187.9700 GM3(m42:2)+H GM3 42:2;O* 9121645.8250 9375878.9820 9607960.7060 6991725.6200 9418208.0200 19136927.1400 18485809.8800 21904610.0700 29263865.6000 19861383.4900 GM3(t34:0)+H-H2O GM3 ( 34:0;O3)* 30144205.8300 31571705.9000 26895182.5600 26395092.9900 38132323.3900 61591049.9300 82807786.0800 69442965.9900 91477143.7900 45878509.9400 GM3(t34:0+O)+H-H2O 1803653.0780 1959834.0630 2249380.2040 1714425.5800 1874460.1270 4337654.4740 4996177.1000 4851798.8210 6875625.5860 2597797.8800 GM3(t42:4)+H-H2O GM3 ( 42:4;O3)* 4181894.7280 3454452.2750 3389902.7800 1841510.0300 3118260.8180 9561497.1980 11131338.0600 11187121.9900 14500288.1000 10382995.9000 Goitrin 10132.7990 31298.8013 33822.7660 1897.9280 2853.0792 17624.3021 24292.1726 30026.7267 29645.3095 33596.6941 Gomisin c 3403.9182 2791.6119 3510.8770 3943.8979 2292.5222 4162.7846 7581.6510 4057.5275 3599.0958 3655.3718 Gramine 68051.6990 7097.8717 72767.8350 70334.8092 48509.4762 10090.0712 79428.7324 105362.0776 53032.5890 86965.6627 Guanidine Agmatine 4435.3149 3162.8394 2702.8409 8555.8662 4186.4542 943.3249 3521.0280 1790.9982 5709.2039 5633.1480 Guanidoacetic acid Guanidoacetic acid 102017.8806 113319.8032 102846.9081 95881.3049 108962.1307 155413.0633 173672.3826 198213.3474 183913.2218 226968.4686 Guanine Guanine 28227.4656 35293.7024 42984.5056 17847.5293 21088.1899 3891.6417 21549.9727 19690.1070 21887.6477 18929.4364 Guanosine 5^-diphosphate (GDP) GDP 11332.0495 9173.2998 9870.6109 8716.8321 8660.8442 10344.0649 13573.8528 9597.3850 11738.7226 423.8250 Guanosine 5^-diphospho-.alpha.-d-mannose 77622.1048 79132.4058 77493.4922 79223.3758 87637.1809 62067.7246 77964.2311 87896.0172 88188.0454 93194.2109 Guanosine 5^-monophosphate GMP 28964.2662 33015.9012 44274.4029 29771.4314 36565.5798 76441.1542 75557.8084 49672.0929 59762.4160 32357.1851 Guanosine diphosphate GDP 28461.9007 30771.8611 29382.7948 40689.1415 42867.9269 23329.1803 34878.0049 35163.6973 38277.3088 28597.8064 Halofantrine 14817.4393 14108.4779 19436.0951 11957.3381 14090.5443 15719.8973 15558.2297 16344.8049 17304.2015 22833.2655 Harmaline Harmaline 16532.4061 24863.7073 20452.8402 16963.8663 21481.4443 15234.5192 13105.5687 14566.0583 15333.0457 16335.2982 Harringtonine 4379.5437 4636.2581 5317.1895 2457.6186 2994.4292 3089.3816 7219.3038 3023.7983 4292.5942 4338.3999 Hc toxin HC toxin 18406.1072 23234.0064 30806.2069 22391.2877 20656.1358 23243.6341 21958.5630 25938.4472 31577.2464 28661.1681 Heptadecanoic acid Margaric acid 2865.4946 6030.3383 3277.6155 3540.0530 3344.8091 3092.2522 2972.0495 3782.7368 3036.2917 2917.1805 Hesperetin Hesperetin 921.4411 3017.1050 2430.9911 4046.6204 391.7337 912.5570 12933.2804 737.1480 1209.6589 2547.3559 Hex1Cer(d16:0_23:2)+H-H2O HexCer 16:0;O2/23:2* 22291340.7900 18965073.5700 20610482.6400 15939550.0800 24412702.2800 30072468.4200 30692385.1600 27492442.2000 30698024.7600 30968352.9800 Hex1Cer(d18:1_16:0)+H HexCer 18:1;O2/16:0 12599590.0400 12561094.9900 10739764.2500 10526838.3800 16606104.3700 22404295.9000 33486234.0500 22728922.6900 38494847.5200 20699936.5700 Hex1Cer(d18:1_24:1)+H HexCer 18:1;O2/24:1 4333425.1590 10465623.1000 5376998.3270 8203360.0400 2180986.6990 21444322.7900 16839977.4600 15761273.8600 30718963.9400 15381857.3800 Hex1Cer(d18:2_21:2)+Na HexCer 18:2;O2/21:2* 2116191.4500 3989518.6880 2753342.2240 3076773.7010 1407237.6040 1778024.2040 1057086.7370 533483.9609 1671843.4660 1616335.4120 Hex1Cer(d35:1)+H-H2O HexCer 35:1;O2 7225222.4980 13717961.0200 10099353.4200 9614260.5770 10716147.1200 11498913.1500 12782503.0800 16281966.6400 15398221.1600 9169559.1380 Hex1Cer(d35:2+O)+NH4 HexCer 35:2;O3 2286190797 2230127069 2035396897 2062154492 2206018848 2305189670 1831093385 2330621423 2680819769 1283713690 Hex1Cer(d37:2+O)+NH4 HexCer 37:2;O3 6464524379 7271898454 7063727105 6984120993 6982879161 5460187569 6172326017 6880435715 7964832311 5089549380 Hex1Cer(d41:6)+H-H2O HexCer 41:6;O2 1574450.2020 336691.1494 315331.2330 156575.3830 5687974.2170 7335691.6420 510070.6231 6322575.1000 5920219.9110 5216370.3820 Hex1Cer(m17:0_21:2)+H HexCer 17:0;O/21:2* 58331723.9700 70404949.1400 61688394.7100 60575111.2800 62901187.7600 55989722.0500 57078745.6800 62634626.9100 78511994.4400 52764170.6100 Hex1Cer(m18:0_20:5)+H HexCer 18:0;O/20:5* 11959119.4200 13008489.7200 10313736.7000 14267249.6900 12083430.1600 11242754.2200 13595603.6000 14867435.9200 16059391.4300 14300093.3300 Hex1Cer(m18:0_21:2)+H HexCer 18:0;O/21:2* 13250813.9300 15037323.0100 12040990.2800 14243461.5500 14165256.7700 16839147.1800 14245267.0800 15274368.8800 18603523.1500 10988987.4900 Hex1Cer(m19:0_21:2)+H HexCer 19:0;O/21:2* 653134564.4000 666436518.3000 590712233 675660424.8000 614029876.9000 785998927.1000 695329193.3000 788329616.3000 896807792.9000 592932330.9000 Hex1Cer(m19:0_21:3)+H HexCer 19:0;O/21:3* 43548494.9200 39955565.6800 42246803.2600 38921874.3100 43073745.9300 63268659.2900 60529380.1200 59181214.5500 77274551.9100 52749658.9600 Hex1Cer(m19:0_22:2)+H HexCer 19:0;O/22:2* 6087879.1140 326970328.2000 6634529.3990 6493719.5560 7553008.8660 11354754.4700 11910758.9500 10120480.8500 14402290.7200 7050354.2140 Hex1Cer(m19:0_22:3)+H HexCer 19:0;O/22:3* 76361764.8700 63019962.4800 58470299.1400 54277056.7100 73204617.6300 118899658.9000 88311402.9900 111051083.2000 148564954.6000 78570189.1800 Hex1Cer(m19:0_22:4)+H HexCer 19:0;O/22:4* 1400600077 1360005009 1259923749 1238862510 1323508187 1036749549 883703065.4000 1210674318 1304467417 749993331.8000 Hex1Cer(m19:0_23:1)+H HexCer 19:0;O/23:1* 485328254.3000 338478149.3000 329162199.7000 284496293.4000 478744353.5000 657828223.5000 408269313 612467171.8000 694180146.1000 371436494.8000 Hex1Cer(m19:0_23:2)+H HexCer 19:0;O/23:2* 2354838543 2696237606 2289647967 2400729583 2355640441 3162295909 3093545527 3059101872 3767875465 2313103686 Hex1Cer(m19:0_23:3)+H HexCer 19:0;O/23:3* 1125278217 1160050066 1057149761 1084729788 1075013723 1603681967 1408456117 1483507274 1910203443 1186926940 Hex1Cer(m19:0_23:4)+H HexCer 19:0;O/23:4* 23054870.4600 29052217.1100 26075634.1000 30699077.7200 25469129.7200 58038815.4500 61205551.3300 59019137.2100 78789275.4500 52600924.3200 Hex1Cer(m19:0_24:2)+H HexCer 19:0;O/24:2* 29870901.2700 31004315.5300 29838513.4300 29082458.9500 25865858.3400 50768963.9900 43018801.1300 51709203.5300 63508300.9000 34951837.7200 Hex1Cer(m19:0_24:3)+H HexCer 19:0;O/24:3* 31397979.0400 35254655.1500 34047819.2800 30063267.1400 32721342.8600 46405867.0100 51687252.9600 41965160.4100 58938537.9400 35291252.4500 Hex1Cer(m19:0_24:4)+H HexCer 19:0;O/24:4* 125425683.6000 142277257.9000 130219324 130702324.5000 128676452.7000 144872776.5000 107767057.8000 131411113.5000 145132224.3000 81856411.1700 Hex1Cer(m19:0_25:2)+H HexCer 19:0;O/25:2* 3815628.0870 252888.1866 1668569.1800 1132372.2970 65202.4450 1353622.4660 891184.7450 2726556.6780 4588071.3400 1788021.4080 Hex1Cer(m19:0_25:3)+H HexCer 19:0;O/25:3* 84002720.5200 82970287.8700 77531676.0800 79399784.7800 84053841.6100 105735548.5000 98622625 93964448.3900 126465596.8000 80486380.2800 Hex1Cer(m21:0_23:2)+H HexCer 21:0;O/23:2* 142576988.1000 141444159.9000 129449268.8000 129074629.2000 121821422.5000 131860209.4000 123394843.4000 131496918 135809286.7000 102187620.4000 Hex1Cer(m38:4)+H HexCer 38:4;O* 16156270.5700 18240913.3400 19300384.6300 20303588.8200 16535656.7000 17702637.2900 19763441.8000 22756544.9900 23416124.6000 17319608.4000 Hex1Cer(t16:1_18:0+O)+H HexCer 16:1;O3/18:0;O* 31620050.7400 42869758.9700 38318400.7900 44059728.4600 29286392.5300 53701991.4900 46937787.8800 65569109.8500 59261814.8800 45513743.7500 Hex1Cer(t18:0_22:0)+H-H2O HexCer 18:0;O3/22:0 544511250.4000 465448917.5000 404548120.1000 443149314.1000 428167322.8000 618398728.4000 522520892.6000 597994237.8000 611767156.6000 381085569.1000 Hex1Cer(t18:0_23:3)+H-H2O HexCer 18:0;O3/23:3* 43860882.9500 53678177.5800 35771202.2900 47212042.1500 52514232.7100 41839556.6200 36036459.6700 50837832.2300 44619177.5500 29225096.5600 Hex1Cer(t18:0_24:0)+H-H2O HexCer 18:0;O3/24:0 1691941418 1881932639 1684324643 1707911617 1673652119 2148033915 2279459686 2201985001 2595190709 1680589471 Hex1Cer(t18:0_24:1)+H-H2O HexCer 18:0;O3/24:1 17265390.9200 12417351.6000 16289917.1700 13358093.0400 16535894.3200 20384986.0800 17258200.9500 16854087.2700 19874343 13163973.5800 Hex1Cer(t39:3)+H-H2O HexCer 39:3;O3 3986310.0710 4831712.8210 5110803.7130 4113149.5190 4602632.7850 3207377.8920 3737790.9790 4017331.2660 4438505.4760 2876947.5990 Hex1Cer(t39:4)+Na HexCer 39:4;O3 10813527.2000 10134938.7300 11787490.0700 11307284.6900 10197384.6300 11550284.2400 11859169.6700 16419244.2700 12828237.7300 13076600.2600 Hex1Cer(t46:6)+Na HexCer 46:6;O3* 16175241.6000 17609144.5700 17544360.0500 21174027.0100 21546863.3000 18216605.3300 24698158.6600 22689188.3000 26794676.7100 18336814.9700 Hex2Cer(d18:1_16:0)+H Hex2Cer 18:1;O2/16:0 2856333.1270 2792774.3630 2276142.9950 2553000.3590 2473083.8050 11771598.5800 7504084.5590 6961440.2660 8852211.7780 3847477.2390 Hex2Cer(d18:1_24:0)+H Hex2Cer 18:1;O2/24:0 16513838.5400 16706560.4700 17929981 14159599.5400 18531164.6800 31518917.0300 36735688.8100 36060896.7600 48148387.1000 34040735.7000 Hex2Cer(d19:2_24:2)+NH4 18357891.6500 20886498.6200 20203944.0500 17067097.3600 22726084.8700 31697009.0600 31732415.1400 34545922.7300 39699430.0900 30719063.1600 Hex2Cer(d20:1_25:0)+H Hex2Cer 20:1;O2/25:0 4367962.1570 10429569.1700 5558145.2400 9020394.6150 2562731.8700 5325623.1640 5747577.4890 5262580.8200 4179709.2410 6377697.9630 Hex2Cer(d31:0)+Na Hex2Cer 31:0;O2 20970661.0700 15928279.7500 21910675.0800 18105963.4600 21237075.5800 12941987.5700 14556589.4400 17651656.4200 19085553.8500 14026327.8200 Hex2Cer(d40:0)+Na Hex2Cer 40:0;O2 9915056.1050 29248080.2400 5345960.7760 7071580.6890 24770398.4900 13878819.4600 10179819.0800 12859483.4300 18056332.9400 8907744.6670 Hex2Cer(d48:4)+H-H2O Hex2Cer 48:4;O2 6977473.2510 4345354.3900 3036730.8300 4344376.9520 4881231.5640 4784934.2230 2785989.6390 3417717.9280 6421780.0400 1091924.1420 Hex2Cer(m19:0_21:2)+H 127116501.5000 126548743.7000 107814652.7000 111131837.3000 118554738.9000 163384133.4000 140279196 143575024.4000 162566167.4000 110375005.3000 Hex2Cer(m19:0_21:3)+H 14358917.1000 7117867.2510 9634222.4490 8416068.3340 9037725.5430 16448667.0700 14551959.6900 11784980.8300 12028383.8700 10951336.9700 Hex2Cer(m19:0_22:2)+H 60372518.1600 61842416.7600 56179346.2100 57497447.9200 57656119.1300 64751318.7100 64627955.9600 66174358.5400 77900663.1500 50593136.6400 Hex2Cer(m19:0_22:3)+H 16750451.1300 16823623.3800 14660905.8700 13427427.3200 16160183.7300 21046844.4300 22484529.3800 18936399.4100 30282958.3700 15845670.5100 Hex2Cer(m19:0_23:2)+H 698193746.7000 655883266.1000 613018831.4000 645604112.8000 626465264.8000 1099782591 856281923 1004551835 1041503923 734845172.2000 Hex2Cer(m19:0_23:3)+H 296707417.7000 290907036.1000 274292385.1000 251821203.3000 277337843.9000 414973181.7000 392855234.5000 373630233.1000 505921511.8000 344752812.3000 Hex2Cer(m19:0_24:2)+H 12531395.2400 13104436.5200 11307295.4200 12756320.2800 10949986.2400 23606823.6200 21086146.9900 22335048.8900 30570610.5300 20672320.5200 Hex2Cer(m19:0_24:3)+H 11973141.5500 9759691.4450 10555207.9700 10374986.5900 10498142.0400 15834051.5700 14869213.5600 15256690.0300 20571232.9300 13239250.9000 Hex2Cer(m19:0_25:3)+H 33792597.2100 35053302.8000 34880775.4300 29519008.2800 31499513.6400 43270368.5200 37061230.9900 36422562.6100 43225734.4900 30791676.6200 Hex2Cer(m21:0_23:2)+H 41351794.4900 38467480.4800 33604246.3900 33349325.8500 34576199.0900 39474173.0200 33240234.7700 34361846.2000 41397676.5400 25240170.3800 Hex2Cer(m32:1+O)+H Hex2Cer 32:1;O2 26857616.7000 17691789.2600 17021133.8400 15893429.9400 25087220.6900 30601464.0800 13758743.2000 26065104.6300 37710164.8900 18168399.6500 Hex2Cer(m45:6)+Na Hex2Cer 45:6;O* 14472758.3900 16765336.1000 16756950.9900 17606818.3800 13588571.4900 24678675.8900 23696528.2300 32780754.3100 35958620.6600 23163992.1000 Hex2Cer(t17:1_18:0)+Na 3333744.4260 1697540.0910 9509078.0800 6856392.0440 2239988.5030 9558901.5110 2809241.4130 3056441.7230 3583159.7570 15860094.3600 Hex2Cer(t18:0_24:1)+H-H2O 8883910.2900 8610934.9550 13983223.6700 12168444.8700 12541329.8800 94747942.8100 64858986.3900 66900104.1500 89186961.8700 49676012.9400 Hex2Cer(t37:5)+H Hex2Cer 37:5;O3* 2797537.5490 2962671.6020 5954453.5340 2604750.8850 1628180.8770 5023407.3020 1096236.9330 3003993.5070 2318132.4450 5045720.4330 Hex2Cer(t42:3)+H-H2O Hex2Cer ( 42:3;O3)* 13649228.9800 10117755.7600 8899869.0700 14780917.7200 13509853.3800 18712400.6900 28067750.5100 38162754.9500 37449193.8200 28975383.0600 Hex2Cer(t43:3)+H-H2O Hex2Cer ( 43:3;O3)* 85657938.2800 93508384.6400 82910792.5900 89368788.5500 95991723.3100 104538227 120657375.6000 128404348.5000 145584136.5000 93222191.2200 Hex3Cer(d18:0_16:0)+H 1762263.0150 1906000.5620 2140080.8780 2426823.0410 4702178.8420 7502612.2600 6935304.8050 14076310.1100 8580215.5480 8163783.8120 Hex3Cer(d18:0_22:0)+H 8439367.7670 11138255.8000 7032458.5620 6948189.2130 13289467.4800 19960377.5800 16054413.1600 22638554.0200 18080223.3400 10570723.4000 Hex3Cer(d18:0_24:0)+H 11023756.4700 9677831.6510 10247749.7200 12493528.0200 9969106.8610 24181411.8900 29831592.3000 43217288.1200 32232671.7300 29834955.5000 Hex3Cer(d18:1_24:0)+H Hex3Cer 18:1;O2/24:0 25140779.1500 28261734.0700 22365349.6000 19050179.9800 21464639.8200 28623428.4300 22775904.3800 36581217.9500 23994673.1700 22971002.6300 Hex3Cer(d33:1+2O)+Na Hex3Cer 33:1;O4* 4079461.6710 2416249.3110 1629393.1780 1841910.8130 2043015.6440 9706836.8840 8296367.5870 14601451.6000 14357597.2200 6901685.2090 Hex3Cer(m19:0_21:2)+H 54276874.8200 45706104.9500 37047609.2000 37519121.5300 42689687.2600 115479569.9000 89850351.2100 101530115 113926909.9000 81550264.7900 Hex3Cer(m19:0_22:2)+H 16297145.8600 14573530.1100 12026793 11581097.7400 13553515.7900 39019389.8000 32548737.2400 42862909.9300 43487705.7400 29220190.8800 Hex3Cer(m19:0_22:3)+H 1881051.0230 1950725.0170 3225885.0850 1455541.5660 4559032.9340 17175722.9100 13392910.4300 16114452.1700 20803776.8200 11672216.1200 Hex3Cer(m19:0_23:2)+H 182976046.5000 162036450.1000 137649053.8000 132488836.2000 167596968.7000 457897743.8000 392216584 484793373.3000 484860541.3000 322949141.7000 Hex3Cer(m19:0_23:3)+H 156224705.6000 101223452 101306521.7000 98986326.8300 120024900.3000 345532674.9000 305628207.5000 379319283.8000 396835534.2000 246187298.1000 Hex3Cer(m19:0_24:2)+H 2327470.3030 1847805.9120 1991834.4970 1334412.5230 2032051.9500 12116317.9500 8235871.4860 8295760.0790 8061040.6030 6585491.8660 Hex3Cer(m19:0_25:3)+H 6159679.9500 8147256.2130 6096888.7050 5732915.5790 6224458.5730 15084675.1500 17495778.8200 14734825.3000 26188335.9600 14979033.3200 Hex3Cer(m21:0_23:2)+H 6703090.2390 6416241.8610 5214986.1520 4399330.2580 5159510.3650 12466396.6500 10647738.5200 13523846.1800 14102278.4200 9331823.8210 Hex3Cer(m42:1+O)+NH4 Hex3Cer 42:1;O2 12022473.3600 13751624.3700 11473607.4300 10672685.9700 10639626.7900 26123628.9700 33294084.8200 33645862.7400 44712133.6200 28648031.9800 Hex3Cer(t18:0_24:1)+H 5394449.0990 3428838.1950 4658070.1450 3999759.2850 2726077.5290 21583046.3100 13834342.1300 18017148.5000 18049997.7300 12409053.9200 Hex3Cer(t18:0_26:3)+H-H2O 461378316.8000 409606738 385716406.7000 388875662.4000 495622216.4000 1019865673 993834287.4000 1366004873 1269096607 852118042.1000 Hexadecylacetylglycerol 9671.7585 6142.8359 5551.1676 6438.9315 11245.3355 8682.1230 5517.1933 21606.5274 5983.9654 6423.4454 Hexamethylcyclotrisiloxane 27721.1202 37592.4897 16174.6560 33550.4455 23310.8208 22884.9268 23065.4003 41207.5952 16068.1890 30350.6075 Hexanoyl-l-carnitine CAR 6:0 62854.8446 69952.3072 72825.9135 70471.4315 76671.5082 148787.3602 83406.4296 81837.7313 76087.7471 98632.9695 Hippuric acid Hippuric acid 2835.6611 3048.7524 4189.9820 4172.5492 8575.5293 13640.5786 12873.5001 7762.2278 8130.2330 2981.0417 His-Ala His-Ala 4607.1764 3567.4210 3699.4186 4334.6940 4664.1559 4395.9783 3018.7227 3113.6410 2413.8109 3965.8438 His-Asp His-Asp 71996.3644 77553.9535 67402.3616 63095.0914 89287.4027 57765.2544 102067.6569 82400.3672 85949.8408 77757.3962 His-Gln His-Gln 9328.0741 11379.4985 7230.1893 7194.8696 11011.3335 6612.1786 9874.8301 12104.4518 11051.2126 15380.4331 His-Glu His-Glu 28269.6018 53243.0777 53149.3515 59453.8988 72620.3798 91812.0415 53897.4454 59081.8457 114922.9699 63709.2010 His-Glu-Lys His-Glu-Lys 10364.5643 10834.7311 10312.2618 5133.5304 9212.5607 8914.9444 10891.5937 18300.4802 15343.4557 16003.0851 His-Gly His-Gly 32002.5172 42425.5430 37730.2320 44226.8751 35442.3897 42273.5848 57425.7056 62404.3675 40223.0679 43689.1461 His-Thr His-Thr 13677.0664 13090.5693 13005.6170 13643.9726 16744.5876 13463.8571 14450.9946 11422.7861 13251.1988 15893.6131 Histidine Histidine 5925844.1570 5898430.8060 5536134.4380 5350311.7050 5736069.8690 6042323.9820 6852599.1630 7606100.5430 8055520.3100 8195884.5560 Homostachydrine (S)-Homostachydrine 92810.7529 103826.4325 97619.2086 74467.3989 82281.4713 75281.2176 92211.0482 92416.9593 95892.3736 105346.3038 Hydramethylnon 13522.0551 14254.8480 19181.6977 9800.3558 15092.5865 18959.2788 21022.3652 25276.1452 28323.1654 29947.2455 hydrocortisone 21-acetate Cortisol 21-acetate 79989.3652 88695.5417 90701.7873 71889.9127 86925.7472 53843.5048 56916.7009 59745.0046 59010.4841 67121.8311 Hydroxyflutamide Hydroxyflutamide 14689.3703 16643.8624 17642.7463 15892.1698 25231.9302 23769.2776 15131.9671 19649.6556 17853.6600 18517.1682 Hydroxyvarenicline_ n-trifluoroacetyl- 8099.4492 9025.1946 10670.9788 6675.6061 9295.9012 5593.3797 6849.9032 7701.3877 7271.7831 8874.1174 Hymenamide k 10252.7382 9545.2603 9317.4699 9856.6368 9762.7325 6402.7958 11915.4110 11450.9738 10444.0219 10983.6459 Hypoxanthine Hypoxanthine 1467048.8580 1314336.5830 1179988.5910 2038365.1310 1749796.9810 491267.3607 985321.7075 804639.1049 734398.6671 661464.4836 Icariside ii 7135.0654 10287.6477 7273.6891 8123.6844 3670.3172 6243.5612 10692.0002 7590.1500 2594.6093 5445.1231 Ile-Ala Ile-Ala 2994.5581 3551.3153 6940.5327 147.8897 362.0581 3639.6187 10595.8134 4217.9185 3573.4982 3219.5759 Ile-Arg Ile-Arg 3848.4433 5816.0574 3155.4884 3200.6293 4319.3459 4508.0586 4588.3067 5790.9617 4528.7279 6468.1807 Ile-Asn Ile-Asn 90303.4130 100404.5246 100462.9420 80506.6382 83994.2682 123801.5133 93528.3387 81290.4546 66732.1136 80796.8915 Ile-Glu Ile-Glu 14339.6801 22840.7242 10898.4402 5459.0515 11154.3036 2855.3240 35481.9097 24835.3801 20068.0742 26473.1632 Ile-Lys Ile-Lys 11588.8991 9083.7524 8307.2107 7299.0060 12320.4031 6326.3965 17457.7409 8083.8362 5205.9635 13267.2348 Ile-Pro Ile-Pro 2983.8056 3319.8589 3408.4693 11315.5076 4192.2493 6964.7743 2203.3707 12108.2074 11611.5103 3134.9508 Ile-Pro-Ile Ile-Pro-Ile 32449.3231 29626.3985 31899.6557 10948.6167 15854.3955 17914.0875 41341.1451 33897.5843 34646.8887 32902.2758 Ile-thr Ile-Thr 6004.4039 5699.5093 7801.3395 5469.4379 8588.7240 2427.9918 2309.9476 1986.2508 2491.4780 3411.2415 Ile-Trp Ile-Trp 8563.9839 7390.6626 7139.4711 6806.6741 7828.0978 6377.0514 7151.4332 7301.5384 5610.9936 9137.1831 Imidazoleacetic acid Imidazoleacetic acid 2106.4116 2358.0952 1855.0660 2438.6985 2183.7770 402.4287 473.1998 2589.2673 963.0020 3841.4149 Indinavir Indinavir 8575.3284 15631.4060 11582.4129 5862.3764 13089.0996 15033.8635 17934.4982 12526.6057 20593.2121 14526.1337 Indole Indole 21562.6178 39763.4175 97107.7563 15570.3032 8776.5159 199451.7013 181602.4796 62368.7245 67882.7338 61055.1963 Indole-3-acetaldehyde Indoleacetaldehyde 2648.0041 5604.2628 7956.0586 1185.7380 1326.2296 15822.7808 12790.9992 6911.5325 5085.9547 7474.8638 Indole-3-carbinol Indole-3-carbinol 255291.1551 245259.4761 255256.5463 246641.0434 244771.1728 392133.0778 321895.6866 394548.6032 187134.5336 368501.9244 Indole-3-carboxaldehyde 1H-Indole-3-carboxaldehyde 36956.1888 76814.9754 183079.3962 39620.0189 19980.6419 458347.4080 364324.5123 109786.0248 124256.8228 119321.8521 Indole-3-carboxylic acid Indole-3-carboxylic acid 10246.7100 11144.3792 10922.8937 9012.5553 9166.5229 21349.5413 21098.8023 17979.1066 15356.2439 17878.5643 Indoleacetic acid Indoleacetic acid 93670.6830 84762.6730 87688.1391 115811.8117 100334.6882 100869.0748 92879.9028 96596.4282 50394.6275 103689.9805 Iohexol Iohexol 7061.1898 4618.0177 5199.1575 6211.8212 6837.9569 3133.7658 12408.7345 6442.8749 5311.5045 6625.7870 Ipecoside 11642.9908 12056.5379 13568.9345 13634.3675 14955.3381 11321.5863 11924.5774 12045.3455 12410.6368 12356.6235 Irbesartan Irbesartan 9161.9356 12011.1954 11912.5330 5729.5430 10070.8713 23997.2351 11723.9867 11827.9847 15056.8454 14232.7428 Irinotecan 3724.5268 4571.3413 4906.6636 6894.2785 2878.8026 4831.7447 7219.5866 5268.8000 2052.8057 1363.7540 Isobutyryl-l-carnitine CAR 3:0;2Me 250504.7188 1697960.7500 8992467.4280 93567.0512 125336.2259 9854375.8630 14169181.1700 2063433.8910 2376384.1110 2847300.0720 Isoleucine Isoleucine 251652.3447 451510.3987 988611.6554 904596.3332 636545.4104 3726480.3010 1891096.7580 538764.5900 614959.9147 618076.1145 Isovaleryl-l-carnitine CAR 4:0;3Me 937.5948 863.1325 854.8661 718.6627 857.5658 1274.0436 2123.6473 1567.1439 2208.8387 2414.4757 Itaconic acid Itaconic acid 14076.1704 15160.2849 17013.6225 9853.6731 15962.7841 11836.3019 15383.0446 12976.6864 16112.8289 19614.9770 Juglone Juglone 39970.5130 17813.8652 13904.0249 27980.7732 38862.1948 6641.8581 13850.0842 17410.8932 17990.4348 12103.6715 Karbutilate 3751.2293 3385.6696 3890.7976 2260.7717 2429.2752 3243.2394 5235.3432 4011.9600 5743.5318 2408.4445 Keracyanin 1147.3858 1266.6121 1421.7301 1243.3371 1626.8473 1290.9669 1311.0792 1200.8099 1146.2928 1321.6452 Khelloside 12647.4151 13451.9414 18772.9809 8695.9399 13790.5733 15939.4941 20159.8126 26834.1010 27170.5229 34176.9399 Kotanin 11622.8116 15128.0573 15771.6039 7887.0605 11209.8317 15656.0246 18364.6485 19648.2900 20846.3077 24672.6199 Kukoamine b 14189.4946 4550.7373 6645.6495 12907.1504 8397.2628 3778.0447 25728.3840 12750.4506 14041.9950 6873.1652 Kynurenic acid Kynurenic acid 13176.6314 3934.1997 1702.8934 1853.1849 2221.1461 8840.6348 2222.2514 2030.7608 1925.5900 16760.4178 Kynurenine Kynurenine 794.5668 977.0752 2051.2522 1610.0294 943.9188 12379.8098 7464.3967 1551.0873 2045.6811 1958.2647 Lactose Lactose 65208.6513 69709.3178 76008.9227 66517.8097 84693.0225 62122.0364 66537.9567 64783.1066 65934.3790 68676.4649 L-Alanine Alanine 71242.7802 82939.7478 106534.3402 82507.9817 120096.4532 18877.3815 30125.9731 62815.9242 35872.6224 123696.7853 Lamiide Lamiide 6325.2367 8101.6295 7027.3292 5912.3101 5628.2949 6424.4151 6982.8075 8156.5825 9063.1121 9929.8217 Lanosterol Lanosterol 1813.8632 2531.2825 1614.3770 1769.0374 2145.4133 2520.7892 3259.8201 2857.0445 3570.0868 2719.7521 Lappaconitine Lappaconitine 15855.9171 5870.6654 7250.4919 16151.3242 7783.2463 8216.2832 31951.9898 11180.7901 23086.6735 7180.6368 L-Arginine Arginine 1311324.2080 1568151.1970 1523795.0570 1392229.2320 1724882.5380 2007496.8080 1628856.9840 1244398.7780 1543218.6600 1690102.6440 L-arginine-7-amido-4-methylcoumarin 16301.6876 7210.8640 11563.2107 10412.9165 12810.1595 15247.9695 32193.4027 15001.4637 18119.6151 16099.9378 L-arginine_ methyl ester 300234.5514 345991.4293 210060.4668 356877.6100 268878.9820 1239009.8770 1189343.4950 616150.7424 392529.1541 129934.1906 L-aspartic acid Aspartic acid 4181.4623 10264.5095 6184.2868 625.7717 1295.5547 5916.7086 5257.6384 11783.4524 2956.0287 4522.8706 Lathosterol Lathosterol 4240.9711 5077.3244 9717.3109 6483.8319 8132.2381 5482.4043 4648.7474 5090.1422 31656.6132 5606.7294 Lauramidopropylbetaine Lauramidopropyl betaine 29072.9804 37858.2112 36101.5648 52308.4995 43116.3558 42255.0730 37181.8826 32909.1224 49216.5398 30358.2613 Lauric acid diethanolamide 87339.4980 58932.7897 71115.2771 62358.6141 84637.0479 76566.8843 57214.6965 121768.0237 62379.4108 70994.3319 Lauroyl-l-carnitine CAR 12:0 103175.5352 107242.1448 110639.3922 115199.4257 102805.0480 88075.8114 97336.8212 102765.6078 103228.9125 110038.4926 L-.beta.-homoserine 304169.4120 293501.0406 332865.8814 270418.4531 316227.1193 399319.8727 562079.6673 376288.0003 252473.7869 431108.6703 L-carnitine Carnitine 7703398.0520 9193607.6150 10239937.6100 7094335.5530 9131976.7680 15309460.3800 16280769.3800 16326557.3900 16396673.3500 15879832.6400 L-carnosine Carnosine 187097.0177 205552.6884 208917.4795 163007.9261 224512.0832 137019.7524 170417.1384 196204.9706 200933.7878 238380.0354 L-cystine Cystine 217989.2143 46915.4394 105152.7315 91049.2107 48715.6937 352736.0446 429594.5596 384200.1034 305008.4871 234526.1094 Lenticin Lenticin 10799.8860 10658.2905 10759.3494 10150.9484 11120.3783 9447.3714 12467.9749 12246.1256 12857.2099 13171.3425 Leucopterin 1120.0965 604.0632 1516.3752 1422.7823 2336.1453 770.8600 3528.8969 4862.4749 3760.5887 3677.3174 Leu-Glu Leu-Glu 134173.6562 131077.2584 124076.0876 85861.5829 126232.1523 173117.4951 416110.6563 423740.4070 542505.2038 242989.5932 Leu-Ile-Lys Leu-Ile-Lys 1850.7734 2953.7177 2152.4089 529.3321 623 1971.7628 2939.3432 3203.8735 2307.4377 2142.1993 Leukotriene c4 27925.4273 36722.2740 32359.4155 22509.1133 22587.1586 34480.7824 24265.2264 24564.6867 27605.1304 29456.0575 Leukotriene e4 LTE4 4513.0833 981.8144 3776.5965 3880.7124 4104.5616 3567.0857 5973.4615 4738.1218 4931.4763 4230.3319 Leu-Lys Leu-Lys 18836.7893 18604.3487 18259.9941 19843.2431 20055.8501 19401.8919 23953.6593 25156.6686 25980.2125 19480.4340 Leu-Met Leu-Met 10323.0581 19572.4164 19765.4969 6970.1986 6261.9738 14225.4144 5367.3510 23075.9925 4909.8249 24473.2482 Leupeptin Leupeptin 39583.6425 40448.6326 31042.6762 39770.5545 16708.1017 55186.5797 30844.9430 22495.1875 33031.7207 29066.1266 Leu-Pro Leu-Pro 26245.7325 11556.1048 17683.3320 2681.6315 2931.6872 7891.8756 18776.8444 23724.0072 4275.4874 8893.3089 Leu-Thr Leu-Thr 963.5299 445.1794 177.4977 721.0908 1371.4621 1277.1399 3116.0119 1109.8453 676.6003 1309.7770 Lewis a trisaccharide Lewis a trisaccharide 5113.4456 5718.4649 5478.5489 4135.4549 4315.0045 5114.3515 6485.6986 4442.3201 4494.3155 8094.1261 Lewis x trisaccharide 14012.7972 14432.1285 14527.3778 12450.6178 14995.5463 10371.5296 8774.1302 14488.1655 14762.5334 13756.1657 L-Glutamate Glutamic acid 115263.7407 120062.5071 128344.3094 108631.1477 116166.7910 131526.8615 135265.5838 140828.7288 128574.7142 131144.6433 L-glutamic acid_ dimethyl ester 17135.5564 19517.4196 43415.2903 19917.1316 20169.4919 18914.1747 23145.2051 27657.3387 33175.3801 27162.7511 L-glutarylcarnitine CAR DC5:0 11603.7703 16744.9175 13981.0397 23533.0768 31929.7786 7948.1555 7042.7371 7787.1732 7738.2077 9512.8204 L-Histidine Histidine 340148.1331 361800.7776 248729.2958 341730.5411 369239.7616 347127.6228 693714.0393 856700.9757 986040.4897 857670.1254 L-homoarginine Homoarginine 29862.6721 43194.8677 31112.4848 32596.4166 42801.7612 23727.4725 30948.0302 36839.0962 49801.8961 42532.4186 L-homophenylalanine 7064.8456 9600.4157 11117.0931 2514.2573 3112.8769 8460.2809 14135.4468 14199.8281 11304.7422 12809.1602 L-homoserine Homoserine 51179.8965 83991.8973 118158.0435 92424.1517 89882.5214 219752.5192 141799.1855 111786.8407 98609.9036 12887.1580 L-hydroxyarginine 34382.3808 40295.1964 41791.0546 32762.4231 39487.7029 45228.9427 38555.1569 40916.9818 41732.8264 50367.8109 Linderane Linderane 304536.2791 344098.7978 293137.2645 312001.4971 357965.9931 355127.8103 370989.0873 452954.7966 441549.9742 502818.7966 Linoleic acid Linoleic acid 33271.5075 34525.8349 38493.0983 51547.1873 35147.8453 45938.4615 52221.6161 39541.4150 39367.5960 36129.8556 Linoleoylcarnitine CAR 18:2 13565.5672 15241.7233 13987.5293 15184.8585 14987.3876 11059.6656 12672.0294 14198.2451 20810.8322 12189.6018 Linustatin Linustatin 79.8768 1024.7074 9288.2882 6364.7748 5241.6749 32973.0699 9592.4063 879.6504 1758.8819 1507.7463 Lisdexamfetamine 16316.8329 38982.3262 52304.6062 10539.1845 11314.0377 36732.0001 47839.5821 22666.6016 17529.3163 22890.8875 Lithocholylglycine Glycolithocholic acid 42426.7456 55144.7740 48203.6030 48556.5528 45635.6690 99870.3382 111155.8044 112637.2461 156294.9350 105268.0017 Lithospermic acid 10206.8628 9405.7562 8597.4365 5654.8253 8318.3685 6061.7243 1608.4545 2038.4396 1837.3273 4780.6092 L-methionine Methionine 1039694.3410 1072682.7110 960788.0679 1052763.2480 1161925.0330 1143775.0760 1312751.2870 1522341.4650 1519958.6220 1624190.2140 L-NG-Monomethylarginine 3798.6965 2793.7675 4135.4938 1265.9843 2090.8547 2842.5562 3640.6597 2529.4158 13004.2746 2595.5985 Lnnt 17685.5391 19370.2179 17664.4137 17728.9408 21453.8476 11645.8140 11084.8949 14792.0688 12100.2254 14859.4178 Lnt 161161.0404 157221.6346 139151.7076 163040.4432 179341.4676 89697.7438 77455.0356 99282.4281 93365.5093 99076.7278 Lonafarnib 2772.3323 2659.9385 2506.9878 71.6035 176.9911 2344.1277 2664.1450 3640.8832 2187.8474 2354.3690 Lopinavir 1124.1641 1038.0324 609.6160 460.1927 466.0256 2297.8070 3885.8982 1442.3301 1436.2481 708.1844 L-palmitoylcarnitine CAR 16:0 6600.7271 6800.0453 4768.0619 487186.5932 8941.6094 8759.6160 7005.8752 8901.5662 3500.6509 5719.4462 Lpc 16:0 LPC 16:0 821813.0557 1377354.1960 943231.4712 769463.3982 864642.6529 994607.7356 459136.4038 709670.2532 730740.5689 994843.1178 LPC(16:0e)+H LPC O-16:0 4102746.3550 5205721.5770 3313307.6970 4179637.7100 4479913.7790 1162696.1490 5576993.0670 1424724.0260 5462318.5720 2089494.4270 LPC(16:0)+H LPC 16:0 8648385.0080 5684161.4480 6794961.8550 3193434.1800 12315246.1300 5531075.6590 14136213.8100 6839450.8410 3979884.1730 11908753.8200 LPC(16:1e)+H LPC O-16:1 1439643.9770 1484667.4500 7842578.0150 10035470.6000 9071945.9240 14604082.4500 10162967.7000 11314017.4500 14706819.7300 5907704.4510 LPC(16:2e)+H LPC O-16:2 8472745.1840 3741130.9590 7449720.5260 3524719.2200 10155912.3800 12547197.7400 16608428.8800 12798441.5800 13328171.7300 11221349.1900 LPC(18:0)+H LPC 18:0 2378417.0670 1390303.2830 1532483.7240 2113030.4540 895350.6395 1718343.9530 970730.5326 1066749.2380 1035113.7350 1702791.1270 Lpc 18:1 LPC 18:1 491419.0193 719287.8827 623319.7626 462918.8508 390639.6939 710511.1532 391513.7172 475216.9960 465528.9668 564084.8527 LPC(18:1e)+Na LPC O-18:1 1345820670 1622216880 1440350829 894683429.2000 1047439819 1442309430 1631743031 1632159987 931579343.8000 1327772300 LPC(18:1)+H LPC 18:1 2143850050 1641774994 3002265.0570 7404919.8900 7437861.5850 2460825876 4015820428 3019294821 14902977.8900 2431025137 Lpc 18:2 LPC 18:2 431165.6226 572936.8205 456630.8622 388633.1486 414213.3378 455578.4436 294794.1664 296407.2143 361646.4582 417653.1232 LPC(18:2e)+H LPC O-18:2 3843036.8860 337675.7876 4754085.8470 1456078.0880 3846138.9400 4352111.1400 6560786.3270 4129904.5430 5033980.5640 4922804.6690 LPC(18:3e)+H LPC O-18:3 20934947.4900 8418919.1480 15573615.2700 9894226.1690 18924957.0200 25730825.9900 21970146.3800 17636863.7700 16697595.0500 17091894.4400 LPC(19:0)+H LPC 19:0 4090882.9650 4009855.4350 4075322.5640 3187441.0220 4605429.4520 5083969.1000 4059692.5760 4112989.3210 5139266.7550 2977758.3680 LPC(20:0e)+H LPC O-20:0 4726052.7820 2698160.6860 3570523.8810 3253975.0510 8400951.1230 8091641.7310 9304758.5990 8357635.2930 6497348.5590 7549651.6250 LPC(20:2e)+H LPC O-20:2 2480414.5000 1525644.3280 1454434.8430 1458100.8120 2348837.9560 2361603.4960 1372444.2590 1769159.0040 1646997.3550 1037059.6050 LPC(20:3)+H LPC 20:3 184616691.8000 205472428.5000 126600530.1000 168303036.1000 173737804.4000 314221671.9000 393543726.7000 254781111.7000 386681728.6000 301508880.4000 LPC(22:3)+Na LPC 22:3 6585918.2520 7225081.6670 5041950.1290 4107501.9360 5091594.0850 5370813.2630 5535654.3710 5446933.6850 5765556.9090 3411714.8510 LPC(24:1)+H LPC 24:1 3347938.0160 2668232.4980 2769966.8890 2053587.4670 4057490.0910 2903862.5790 2106801.2640 2233159.3730 2758040.9900 567696.8962 LPC(25:0)+H LPC 25:0 3853503.2160 3928810.9640 3398959.8620 2949603.3500 3314356.7200 7867484.7370 7759262.3080 5887448.2710 9375798.3330 4445862.8970 LPC(25:1)+H LPC 25:1* 2740607.6550 2407204.0400 1914836.4160 2008779.5670 2272859.3690 3040548.4240 3303304.4450 2767290.8510 3344879.5230 2031232.3570 LPC(26:0)+H LPC 26:0 8043362.6490 6860160.9120 6518042.5710 6207149.0910 7785402.9700 12629491.2200 14691425.8300 16146213.7100 20758211.7000 7454531.3400 LPC(28:0)+H LPC 28:0 381013436.5000 354420241.2000 321379543.8000 290802372.7000 347658548.5000 531744596.2000 356199901.5000 505716238.5000 640071583.7000 336272515.3000 LPC(28:1)+H LPC 28:1 17461794.1700 21479587.9500 16238907.3900 16936186.7000 23690446.5900 37690547.0900 59903041.4400 43945024.7500 55381834.8900 35575074.2300 LPC(30:1)+Na LPC 30:1 42866559.0600 46223446.7100 30163678.2200 36937807.8900 46547480.1400 50200211.3800 39968056.5800 64647469.3400 60552770.1300 39845290.0200 LPC(31:1)+Na LPC 31:1* 5836909.8350 4293494.7370 2925453.8930 2495205.0820 2479105.3590 33162523.9000 27397921.5800 31198932.2700 44991769.5600 20731789.7800 LPC(32:0)+Na LPC 32:0 79705530.9900 46980625.9100 22702655.2000 52780004.0600 6170143.2180 88799792 56118645.9600 62305276.5000 4901005.9000 34627207.9300 LPC(32:1)+Na LPC 32:1* 40213280.8600 43586316.3200 41391951.6400 43819644.2200 50133223.2800 50675030.2800 57422952.9000 70309916.6000 61227115.6600 52964376.6800 LPC(33:1)+Na LPC 33:1* 47824185.3600 37742332.2500 41917293.6800 57092094.2100 43012694.5600 48974014.9600 36712594.8500 43851528.3500 42094949.4100 34983127.4000 LPC(34:0)+Na LPC 34:0 319990556.4000 372989698.6000 281526105.1000 335691962 333095530.3000 224855326.2000 283921256.1000 555094474.7000 354977804 236987922.3000 LPC(35:0)+Na LPC 35:0 16976696.9000 16944171.6700 8291382.2960 26934394.0600 16695111.7300 26162330.2800 17055927.8700 27225401.0500 18588610.6900 17725127.0600 LPC(35:1)+Na LPC 35:1* 66872475.3000 69078097.6900 58480716.6900 62259320.7000 78439752.9600 90317710.0400 77288233.5100 113269224.6000 100468333.2000 62583978.9100 LPC(36:0)+Na LPC 36:0 54162578.8900 57297597.4600 51286232.2400 53149974.6600 55881335.9200 42234907.3400 44892073.0200 48767135.1500 60038303.7800 32364969.0600 LPC(36:1)+Na LPC 36:1 717644893.6000 715560445.5000 657628879.2000 703589864.1000 767497991.9000 583185485.2000 582356071.1000 777753754.1000 782200461.1000 469984122.1000 LPC(37:0)+Na LPC 37:0 7517821.4630 7625233.2360 6475603.3750 7869568.0750 6269270.0260 7252027.0150 4858912.8080 5620581.0510 6231182.5670 4326746.1530 LPC(37:1)+Na LPC 37:1* 87191504.4100 112493038.2000 101541216.4000 107104329.6000 127189770.3000 105401575.4000 82662795.4000 128565456.2000 69772012.8300 39302264.9800 LPC(38:0)+Na LPC 38:0 22701764.6800 32145939.8700 27632336.4000 27088290.4400 21866010.0100 19795354.9100 19234496.6500 24546993.4200 29233639.5800 15242166.1500 LPE(16:1e)+H LPE O-16:1 18434337.3300 14446428.4100 15846737.4700 15058252.0500 15077486.5900 16865455.9100 18878496.8000 24570965.0100 26281572.8300 18558621.1000 LPE(16:1p)+H LPE P-16:1 14168864.4200 11548886.7600 11766708.6800 13962913.3300 11926676.6700 20521500.4700 20075324.5800 19577214.9900 28044858.3600 16786693.9100 LPE(18:1p)+H LPE P-18:1 49353517.4100 43387059.0600 48488705.4200 40591815.0500 47374180.9400 42575627.2200 41493149.3300 37807662.9900 38158355.2800 34195493.8000 LPE(18:3e)+Na LPE O-18:3 70887596.7200 71616734.3000 58866081.4600 69449956.1400 69348416.5800 86093535.8300 79379583.5300 95249047.3200 98614538.0900 74762667.7800 LPE(20:1e)+Na LPE O-20:1 9668339.6910 8598646.8590 8659322.2860 7559847.1300 9271827.7270 10127909.6800 10115538.2800 10115262.8400 10410031.3800 7549442.5060 LPE(20:4e)+Na LPE O-20:4* 16313432.2100 16156010.0700 16255128.6000 19116236.4600 16570308.8000 20600838.3700 23662387.8600 23854549.3800 30376058.6000 22385747.3200 LPG(16:2e)+H LPG O-16:2 11913804.1300 11730998.0200 7985513.4280 7283083.9020 7095030.8230 40754323.5200 27735581.7100 12298026.2500 7277434.1590 8517096.9020 LPG(19:0)+Na LPG 19:0 9714766.1500 8308898.2180 2840853.1470 4984617.8830 6676455.3600 12857281.4900 3534644 5997552.2710 3513944.5310 6108331.5180 L-pipecolic acid Pipecolic acid 86817.7715 153342.6693 95509.2330 192011.7449 204322.1798 106330.6829 191887.1701 187211.2170 218902.6236 195508.4657 L-Proline Proline 3441.5310 7959.0114 4737.4772 4198.1041 4470.4351 37108.0033 21499.8859 21507.3964 24171.7078 25726.0192 L-propionylcarnitine CAR 3:0 5436896.8900 6164913.8670 7902813.9900 6618956.3990 7142949.6240 13021879.1800 17138893.1000 19555223.2000 18412565.4500 20790430.0200 LPS(37:0)+H LPS 37:0 49731729.6800 52880827.1900 54873046.6600 48727383.2000 52894125.0200 194.5963 1946533.0480 7913218.0350 7194493.5230 3037385.6230 L-saccharopine Saccharopine 564919.1026 544084.7617 591405.0153 556087.8633 558221.3989 238709.6307 243596.6537 258867.5282 263226.0946 233783.6777 L-thiocitrulline 3031.1585 2525.9458 1975.0717 2788.7105 2988.2358 28032.6754 4344.9386 1739.4588 2084.6350 1535.7590 L-threonine Threonine 57762.9060 60624.3969 59379.4469 65093.7969 54551.5965 77132.2562 102616.7683 97883.8678 108379.1373 90134.1630 Lumichrome Lumichrome 247752.6317 248936.8777 238293.1056 232829.0057 284278.8187 202597.1627 219049.5483 256970.0534 161108.9112 243183.9373 Lupenone 31268.8864 28879.3768 30478.2275 24475.9362 41044.5250 35602.7140 51004.4962 31495.1285 32382.0547 29603.4597 Lys-Ala Lys-Ala 14582.2491 9278.4755 8894.3809 12494.8294 10415.7004 14626.7876 32909.8017 16824.5148 14087.7245 7577.8500 Lys-Asn Lys-Asn 12551.2132 8680.0630 8039.7360 10368.1366 10755.0736 15559.7803 22078.3822 16541.7427 13643.1587 12894.2571 Lys-Glu-Arg Lys-Glu-Arg 6507.8255 5129.0202 6393.7641 4345.6374 6911.0982 6047.1679 6188.5445 6544.0499 5579.5317 6551.7964 Lys-Gly Lys-Gly 66875.1582 70582.8423 64336.5199 50152.9908 57515.4000 51396.7349 63220.9638 60684.3365 64333.0453 70141.4466 Lys-Leu Lys-Leu 52842.5877 49996.5058 51831.3470 58404.6461 57855.6061 60304.2011 66157.3729 75864.4219 90398.7392 84202.2988 Lys-Lys-Lys Lys-Lys-Lys 15560.6110 9322.1119 17769.0898 18690.5899 27458.7902 13827.9960 20509.5600 23888.1878 15620.6583 7518.8038 Lyso-sphingomyelin Sphinganine-1-phosphocholine 7966.0247 9767.9375 8805.4823 7907.7441 8012.4848 11167.1901 12180.1468 11963.9890 15620.9463 12871.5303 Lys-Pro Lys-Pro 16409.5619 15571.2333 15316.3534 17197.0706 16689.3916 9934.6310 11844.5040 12872.9471 13084.7599 12947.4671 Lys-Ser Lys-Ser 66546.6505 71684.2382 72236.3729 47735.8922 67073.5461 57429.4151 64052.9824 71328.6213 94549.7391 73635.5798 Lys-Trp-Lys Lys-Trp-Lys 217840.8924 213567.2423 180829.0733 192070.9390 221993.6152 251651.2996 293266.5676 315730.5836 332604.1183 352876.3112 Lys-Tyr-Arg Lys-Tyr-Arg 31948.5957 31835.0753 26196.5391 25715.7322 25221.1598 26305.2125 46086.7394 57617.4006 60503.2899 54769.9872 Lys-Val Lys-Val 96926.3301 100626.5673 88346.6875 88953.9802 106943.5758 76893.1337 82705.5279 93001.9511 100647.6690 111498.2401 Malaoxon Malaoxon 4745.3079 7806.0794 6202.7961 4609.9172 6053.4663 3898.8594 3608.3810 3112.2833 2812.3680 3535.6260 Maltotetraose Maltotetraose 6584.4314 11010.8134 10687.3165 14051.1950 11087.5218 2543.9091 3235.2198 3137.2532 3009.4554 2872.3267 Maltotriose Maltotriose 19287.5950 22034.3415 20536.1856 41798.9385 24112.8305 6632.0761 8824.5078 8387.2472 9009.1940 7857.1308 Man3 a 7914.3129 6489.6371 5355.6893 6933.3485 7606.8271 4740.7783 5538.2258 6103.1707 5493.0180 5993.0513 Manumycin a 8497.2849 13035.6224 10748.0213 9941.5275 9843.5786 7469.6757 9722.4481 7609.3032 5668.9045 7688.7572 Meclizine 6269.9208 6284.3901 7898.0221 4084.0147 5585.7943 6979.5138 9321.0137 11877.7358 10165.3491 10571.3600 Medicagenic acid 2630.4510 6050.9943 3304.7906 2045.6818 3903.9940 5127.5933 6079.7177 4705.1764 5923.8683 3995.0366 Medroxyprogesterone 17-acetate 1851.8625 1378.6207 2262.6906 617.2227 1035.5265 2509.8221 10009.6870 2365.3246 1791.7438 2473.7404 Melamine Melamine 14430.8541 16005.4583 13960.8914 19809.6395 23279.9073 18446.2605 14971.0180 16577.2346 25211.5867 14516.0713 Melatonin Melatonin 183385.2293 87948.7239 28923.2165 94197.1525 74764.4791 30492.7230 24413.7815 27031.5411 33378.7383 24769.4681 Melezitose Melezitose 4234.6329 6053.3857 5856.9334 9742.6519 7683.6391 154542.7696 98780.3736 175914.0395 135028.3957 117424.2941 Metalaxyl Metalaxyl 1699.3919 1555.5351 1813.5208 2472.1689 1793.4740 887.4028 722.3209 1207.5513 1029.4780 1152.6166 Methanone_ (1-butyl-2-hydroxy-1h-indol-3-yl)-1-naphthalenyl- 26815.7538 18760.8525 51514.8244 30209.2628 20518.3879 111273.6695 84949.4485 62527.0439 35448.7780 46658.1650 Methapyrilene Methapyrilene 32492.8533 32940.0641 43947.5273 23389.8211 35620.1872 41414.1658 80597.3918 40145.4179 60682.9960 38756.3244 Methionine sulfoxide Methionine sulfoxide 81635.7737 42824.7065 57553.0632 53127.0096 60204.5933 60418.9908 120703.3951 166887.3300 106561.0572 135780.7978 Methotrexate Methotrexate 2513.8445 2734.5788 2197.9278 3157.2030 2592.0521 2117.4151 2262.4841 2873.4170 2141.7087 2770.6341 Methyl (1r_4as_9s_10s)-10-acetyloxy-5_9-dihydroxy-1_4a-dimethyl-2-oxo-7-propan-2-yl-10_10a-dihydro-9h-phenanthrene-1-carboxylate 2756.0776 1326.7754 2645.5238 2779.3465 2652.8924 2378.6925 2655.1650 2774.6522 4979.3452 4979.0017 Methyl 2-aminobenzoate 91502.1842 104741.4922 100862.5505 81089.7804 117424.9203 27556.7809 34374.6242 39829.5993 33758.3172 43410.7691 Methyl (2e_8e)-9-[3a-hydroxy-6_7-dimethyl-1-(2-methylpropyl)-3-oxo-2_4_7_7a-tetrahydro-1h-isoindol-4-yl]-4_5-dihydroxy-8-methylnona-2_8-dienoate 10470.4739 7568.1228 8406.3276 6591.1333 8403.8906 5522.2383 6395.6709 9860.5297 9423.3236 11591.8219 Methyl (4s_5z_6s)-4-[2-[[(1s_2r_3r_5r)-5-(1_3-dihydroxypropan-2-yl)-3-hydroxy-2-methylcyclopentyl]methoxy]-2-oxoethyl]-5-ethylidene-6-[(2s_3r_4s_5s_6r)-3_4_5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4h-pyran-3-carboxylate 11192.0521 4035.9434 13188.0623 10289.8793 11080.6109 6722.7792 4080.9886 13154.0767 4026.1501 6364.9958 Methyltyrosinate Methyl tyrosinate 56953.4642 65137.7575 52472.6311 62085.0202 54613.6972 62648.5341 65644.6156 65730.8268 42419.2348 80975.3258 Met-Phe Met-Phe 3334.3720 15627.8786 11596.2506 5162.5234 5749.9775 15309.9144 8274.3342 8303.8126 7454.5666 8290.9011 MG(11:0)+Na MG 11:0 1691009.0870 765300.1715 1809965.0730 853436.3125 1576128.9830 1211518.1530 2056924.3920 60278348.0300 979796.2791 1007137.7980 MG(13:0)+Na MG 13:0 3196204.1610 579607.2530 1446776.8470 2540503.5150 3325445.2480 5530222.5030 813405.5099 740802.0591 2695220.1340 1043585.6090 MG(14:0e)+Na MG O-14:0* 6335047.2670 1767945.8930 1917641.9850 1544999.2910 5039955.3810 9959653.1360 774719.3217 8031796.5780 9699242.5240 2132622.5840 MG(16:0)+Na MG 16:0 28800868.8800 24797000.8000 24522209.4900 18183088.1100 23992251.7800 52934978.8200 24468356.1000 43428946.4300 22492788.8500 27247200.4400 MG(16:2e)+H MG O-16:2* 842645181.6000 73196496.0200 80734909.8000 33254761.6000 269173395.2000 1612119868 10745813.6700 151691544.4000 51372236.8700 365476795.8000 MG(17:0)+Na MG 17:0 35445948.6100 9734375.1900 2101279.0950 7177547.9570 1236665.4370 21879568.3600 1743874.5660 13144408.8200 1251835.3380 12870251.7400 MG(18:2e)+H MG O-18:2 15526807.2100 16430338.8000 13173205.9100 19300659.9000 11413932.5400 8578989.8970 18755392.7400 13302401.7100 12671290.1800 4933251.4360 MG(18:2)+H MG 18:2 4443537.0200 4071415.8110 6017993 5596833.0440 4064611.8280 7055520.9650 5683609.9730 48884518.5600 4650610.1330 644674.0177 MG(18:3e)+H MG O-18:3 304203537.4000 328499743 277221389.9000 296498955.4000 322300989.3000 394381766.9000 387567851.5000 443030508.8000 488992760.3000 335865510.2000 MG(20:2)+H MG 20:2 102599.7261 817772.2506 181419.6449 3165400.5920 1360461.0180 322690.1014 1561563.3550 529114.5422 2044720.9470 2653292.8090 MG(22:5)+Na MG 22:5 7817534.6270 4352273.5070 6942694.2790 7446686.1620 8846149.4980 678965.4464 697385.5285 1215767.0040 762313.6404 702574.5311 MG(24:2)+H MG 24:2 48995780.5300 55030624.2600 8320065.2240 55383045.3500 9332811.9630 10399378.2200 9435437.1420 7989471.3310 8146037.3150 9828889.8940 MG(30:0)+Na MG 30:0 2326089.4280 853965.1557 12213422.4800 2169848.7850 15520336.3700 6857520.2340 4244223.3010 3177012.0640 13592551.9600 1626616.8410 MG(32:0)+H MG 32:0 171936642.7000 159884301.7000 132133933.8000 151096331.2000 148931291.5000 102286611.6000 102658791.8000 130227751.8000 175476778 79343239.3200 MG(32:0)+Na MG 32:0 9305229.4740 500264.5793 4060728.4210 375152.1670 10121824.8400 8860890.6680 3625708.5970 13168357.6400 1397422.2650 1970954.6480 MG(33:0)+Na MG 33:0 11565028.0900 15130478.0300 11816127.9200 14625635.7200 8132214.1760 5759690.1480 6487163.8660 3152873.9910 6534091.1400 5883385.5210 MG(34:0)+H MG 34:0 11655452.5200 11187345.9600 11832121.3700 13208975.2900 10538445.1300 5425230.6920 5917885.0720 6261587.8050 4419146.6860 4960027.3700 MG(34:1)+H MG 34:1 24694561.2400 5103039.0900 7480214.9630 5850472.3890 12827923 3615592.1470 2866155.5010 2265201.9730 11603455.6200 1847021.7450 MG(38:0)+Na MG 38:0 29672203.3100 30758590.4600 26689736.7300 28801085.9300 33072553.9500 46280316.7700 41779861 39088660.7500 50469753.9400 31946465.4300 MG(38:1)+Na MG 38:1* 73653110.0900 51270433.5600 45505780.3800 38101062.3200 86871967.3800 46248696.2500 46352740.9500 67539520.5300 55349722.9800 43233015.6500 Microcystin lr 6090.8171 8164.6231 6772.5288 7691.3308 6916.1989 7888.2094 11196.5110 11034.2005 11537.0544 11845.4078 Mifepristone Mifepristone 13956.0349 7760.4713 4195.1508 4905.3658 3475.1876 14106.8594 35216.0592 17411.2303 4597.8288 6339.2560 Miglitol Miglitol 45804.5303 58223.0595 60869.0020 30482.4361 22850.2341 56309.6455 31203.1396 32237.6398 48092.0960 117269.7359 Milnacipran 31166.7448 33079.3560 27390.6253 27326.8801 33731.8887 36266.8807 35909.2299 53087.2241 37697.8364 36121.6387 Milrinone Milrinone 18036.4460 24927.6411 14585.3479 10680.5171 12719.2006 11171.8615 16928.0793 7833.1719 28518.1016 66457.1672 Miltefosine 220197.0460 283723.6578 237262.5956 231585.3181 7936022.8680 351436.3329 232129.3121 186722.9259 228277.3604 238436.0495 Molinate 4588.4372 5267.9680 4606.4949 3651.2086 4733.5251 314371.0673 5329.4866 4629.7576 5386.2582 5528.5272 Molsidomine 58622.0261 64920.2698 63863.0229 45535.9491 55712.0631 15948.2337 73444.5743 87921.3393 79508.1999 93506.2236 Monoelaidin 71217.6098 88988.6809 95289.0647 67361.4535 252707.0542 75675.2231 191227.5105 80707.7712 105182.2002 123418.3391 Morphine n-oxide 4062.2354 5193.8214 5474.1349 4853.6340 6116.5440 4723.2728 7906.9956 6376.7246 7143.9461 5461.8357 Mulberroside a 5845.1757 7277.8286 8018.9427 5496.3199 5746.7049 5729.4964 5596.3356 6334.5507 6545.1770 8632.4700 Muscone 171133.9020 126483.4388 121510.1494 112448.2495 207600.1940 126376.0485 133248.5569 205299.1347 148384.9960 122137.9521 Mycophenolate mofetil Mycophenolate mofetil 3206.9346 4363.3389 3515.0951 3084.8115 4703.0325 6420.1113 7705.4739 3652.9073 8490.8137 8559.9530 Myristamidopropyl betaine Myristamidopropyl betaine 5176.1519 14030.4356 13382.7011 14776.9105 24979.5367 12130.2409 24253.9699 13408.7087 8463.4500 5746.3726 Myristamine oxide 587449.8189 583825.3288 674542.3403 575084.6678 559183.1902 761434.7430 563134.4322 641391.7974 532977.0614 631002.8909 Myristic acid Myristic acid 49151.6633 48488.8065 38892.9187 45420.5090 40383.3571 36662.2912 43863.6072 61679.4524 39133.1328 41938.0776 Myristoleic acid Myristoleic acid 3503.4638 1234.1614 3310.5441 3625.4326 2985.6712 3199.2325 2919.8215 3618.5244 2622.0768 2135.3304 Myristoyl-l-carnitine CAR 14:0 488735.1165 491746.2269 501268.1421 478886.1149 463018.7561 416770.0036 472031.6725 503450.1461 515745.9298 454683.1332 N1-Acetylspermidine N1-Acetylspermidine 373439.0479 415729.2065 420570.4524 457612.4230 557620.6042 422852.7010 433742.5682 355027.0757 423578.8528 503792.9241 N-(1-amino-3_3-dimethyl-1-oxobutan-2-yl)-1-pentyl-1h-indole-3-carboxamide 870815.4688 888049.8850 894279.1374 772108.6990 883802.0268 1077163.7950 1016945.9880 949652.2339 780904.2247 856645.7872 N1-losartanyllosartan 3096.1983 4201.3490 2512.3701 2101.4741 3452.9515 2787.3978 8767.2837 5180.7397 3631.7426 3144.1467 N-(2-acetamido)iminodiacetic acid 1366569.1170 1031131.4490 1391916.3720 1507359.9000 1596442.8870 766499.4035 860205.0187 1399102.4330 1124042.4010 1325428.6020 N-3_4-tridhydroxybenzamide 3068.2549 3683.4902 3472.8312 2446.1365 3699.3825 1728.9824 4088.1220 4822.5615 5036.3822 4375.0834 N-[(3s_5s_7s)-adamantan-1-yl]-1-(4-fluorobenzyl)-1h-indazole-3-carboxamide 6567.9306 3826.7348 4428.7685 6291.9232 5456.6998 3489.2843 7434.9355 5312.3441 6618.5779 6019.1771 N-(4-fluorobenzoyl)-5-amino-1h-indole 68588.9179 53803.9641 21907.0662 32761.7732 45521.1893 11623.4019 14171.9232 19494.9358 27491.4896 8346.8846 N6-methyladenosine N6-Methyladenosine 22886.6020 40759.0650 39937.7715 20041.0793 62708.9127 2525.2172 5600.9027 1162.2625 2420.3148 9314.4107 N6-Methyl-L-lysine N(6)-Methyllysine 1331.4296 1243.9164 1606.9991 1394.4053 1406.7827 3703.2266 3586.0586 5031.9236 4831.4039 1477.0030 N6_N6_N6-Trimethyl-L-lysine N-6-Trimethyllysine 116336.7787 184558.5229 86596.6268 43431.4495 177634.6721 181292.5689 35914.6279 101583.3961 98681.9227 91061.8249 N8-acetylspermidine N8-Acetylspermidine 38796.2764 35167.5112 42858.1544 36726.5832 39372.5810 54594.9083 38200.8305 37016.5985 38263.6077 38631.2069 N-acetyl-5-hydroxytryptamine N-Acetylserotonin 113598.9322 105546.7731 100319.0326 113807.5296 53021.8225 224530.8193 262556.5711 171233.3381 67380.6458 128524.7001 N-acetyl-.beta.-d-mannosamine N-Acetyl-mannosamine 5517.1921 18317.0240 2137560.6600 4635.1729 4314.0129 13369212.6300 4389759.4070 17490.4549 22216.8480 23611.6752 N-acetyl-d-glucosamine N-Acetyl-D-glucosamine 1740526.3610 1905797.6500 1754651.5720 1510937.9080 1938100.7590 2572397.7700 2608463.2910 2973043.3070 3107072.0120 3469780.5700 N-acetyldihydrosphingosine 3002.8972 4142.7265 2341.3731 1553.5241 5518.2313 2356.6999 5699.1807 2461.4633 2692.9869 3666.3122 N-acetyl-d-lactosamine N-Acetyllactosamine 1567250.0740 1662527.8980 1442274.3580 1209660.1720 1643422.3850 640737.1972 537219.8992 740236.3908 699481.3621 808573.3375 N-acetylglucosamine N-Acetyl-D-glucosamine 237.4653 921.0830 153446.3942 184108.3263 144308.6193 1048886.8490 406608.5353 1265.9617 1214.0020 1222.1130 N-Acetylglucosaminylasparagine Aspartylglycosamine 23738.5987 41805.8671 23564.6321 25575.9310 47990.3192 31077.3706 25706.0867 32981.0562 29428.8314 32467.8531 N-acetylhistamine N-Acetylhistamine 1947.2045 2643.3368 5017.9816 3125.0322 1502.0396 2450.1500 2904.4050 2273.1001 3286.6941 4748.1661 N-Acetyl-L-alanine N-Acetylalanine 5760.1203 1670.9336 3712.3955 3408.2430 1841.2992 3602.9728 5298.5508 4231.1539 4139.5075 3244.8056 N-acetyl-l-phenylalanine N-Acetylphenylalanine 418187.3790 431442.6316 463393.2439 318942.2410 375979.9543 500368.4537 420598.7333 426571.7760 409715.0914 454834.1339 N-acetylmannosamine N-Acetyl-mannosamine 11233.1796 12204.1530 11573.9203 9788.8712 11600.3574 18144.9723 14968.6483 17209.4463 17131.8795 21015.3953 N-acetylneuraminic acid_ 2_3-dehydro-2-deoxy- 37058.5588 38419.3563 38020.5203 37143.7072 42763.8002 32926.8945 36368.4801 44862.5206 43054.5508 47383.0524 N-acetyltryptophan N-Acetyl-tryptophan 414521.4023 515068.6504 490301.4529 367537.9428 398200.8613 1026485.6150 1015335.5830 733044.6387 741501.4152 876146.3061 NAD+ NAD 3624486.6910 4044243.9710 4087637.7790 3422102.2220 4300913.0230 3301394.3620 3473075.3240 4096402.4680 4904292.6600 5294270.6620 NADH NADH 544123.9617 253098.2052 156646.7333 209752.7867 167056.0993 63826.4468 29420.4023 27745.7175 36849.2367 95747.9882 N.alpha.-benzoyl-asn-gly-thr-amide 10284.5815 14970.8487 11989.5982 9647.8861 10842.4053 11275.4776 9154.2662 14065.3868 9471.3467 12199.3595 N-.alpha.-(tert-butoxycarbonyl)-l-histidine 3474874.8890 3632734.7000 3305443.1380 3273622.0060 3480086.1990 3589784.6630 4217274.0790 4561067.2800 4831533.9590 8858587.7680 Naringenin Naringenin 18220.3089 23834.3157 19001.2804 38457.5172 13887.5956 43096.8138 11610.1680 10516.3126 10839.6428 8128.6945 N-carboxyethyl-.gamma.-aminobutyric acid N-Carboxyethyl-gamma-aminobutyric acid 3473.2269 4651.7044 5382.0922 3613.1627 3398.5665 1955.8574 5612.7444 5194.2713 4165.4232 4787.9802 NCGC00347372-02 5913.9034 3931.9066 4864.6828 5842.3569 4931.2194 5887.5656 7585.2269 6490.1761 6474.6093 6945.3895 N-cyclohexanecarbonyltetradecylamine 762.6848 958.4725 921.6064 2017.4767 781.3481 1549.3027 910.9856 679.6373 1039.4794 668.6319 N-Docosanoyl-4-sphingenyl-1-O-phosphorylcholine SM 18:1;O2/22:0 1425.4443 10267.3316 5743.2241 8512.4152 19965.3604 2762.1144 10773.4302 5253.2726 18949.1589 6240.3114 Neomycin 16793.4468 13281.2199 6025.2572 14624.8138 7399.4366 7809.7558 5086.3061 7240.4424 3781.2414 507.5358 N.epsilon.-methyl-l-lysine 37048.2581 32100.1039 27362.0917 49079.2120 47580.0164 12619.9179 29381.1356 36175.6855 33647.3966 40350.3635 N-ethylmaleimide N-Ethylmaleimide 223051.7709 260870.8897 278897.2525 286870.6533 322299.2408 330923.3469 364876.2384 385410.6466 331868.7605 420635.6847 Ng_ng-dimethyl-l-arginine Dimethylarginine 904351.2172 1056323.3170 325042.8740 859127.5513 1078581.5580 1068799.0810 970950.4624 1043173.0220 1071295.3170 1825612.2000 NG_NG-dimethyl-L-arginine(ADMA) 85373.4688 10720.2427 92558.6374 85872.1592 126002.1394 116002.7985 55024.6818 112626.3222 85302.9672 61199.3289 Niacinamide Niacinamide 16842680.1500 16272778.3800 14566582.1900 20481640.6700 14055580.0700 13385638.4500 18889313.5700 17579039.5000 9155799.8450 12335826.5700 Nicotinamide Niacinamide 117593.8428 124859.7436 126053.5851 86991.3965 35905.2473 103014.3950 129284.7235 147508.3193 142143.8828 59813.2379 Nicotinamide adenine dinucleotide (NAD) NAD 1839.8556 3154.9057 1515.4753 5165.5192 2726.8225 1534.2807 3849.0739 4472.2218 5331.9217 3175.7547 Nicotinate d-ribonucleotide Nicotinic acid mononucleotide 25259.3737 29078.3647 25025.7227 22257.9792 17037.4045 39480.3526 63625.7081 64186.6053 68595.1068 18953.0826 Nicotine Nicotine 18301.4532 12919.9857 9087.5305 11475.0995 7922.8816 9437.2742 10304.3896 14571.0381 10510.0282 13374.8981 Nimodipine Nimodipine 1528.3059 2146.9892 1501.7926 1332.0779 875.4136 3113.4590 13549.4100 6967.9491 5587.8576 5598.5872 Nitrosobenzene Nitrosobenzene 125409.0312 90363.0669 59845.3380 67289.7271 49548.4293 33529.5428 34020.6318 41868.8419 32783.3888 53313.1993 Nivalenol Nivalenol 1557964.7790 1597456.2520 1339038.7630 1582042.8860 1692667.0870 929539.5946 911229.9027 1061130.3240 1100073.6230 1227182.2310 N-lauroyl-d-erythro-sphinganine 38711.9027 29356.5717 42873.9978 29562.9374 74561.6758 32408.9246 38127.1134 34201.8810 35203.7859 27740.9802 N-lauroyl-d-erythro-sphingosylphosphorylcholine SM 18:1;O2/12:0 9636.5407 15138.1002 11503.4233 9945.8611 15528.0516 12692.2406 17124.7523 15725.3031 37334.0472 16830.3635 N-mesitylbicyclo[2.2.1]heptane-2-carboxamide 30219.0386 34677.1459 35821.7925 30878.5891 36964.7504 29667.3628 28070.1126 25139.5814 30158.7805 32358.4452 N-methyl-n-(tetrahydro-2-furanylmethyl)-4-piperidinamine 1054.3749 1200.7828 1208.0518 1118.2729 1219.1887 1128.4740 1319.8525 1025.1115 960.6661 986.7692 N-(methylsulfonyl)-13-(3-pentyloxiranyl)-5z_8z_11z-tridecatrienamide 282968.4610 248783.4788 394140.7053 321693.9297 351217.2493 363595.5033 346012.0798 289585.0739 429894.9561 279204.6461 N-myristoylsphinganine 183935.6433 172188.0282 203823.7700 158457.4122 386330.5516 150678.8150 155139.1106 159627.0748 174898.4299 170527.2934 N_n^-diacetylchitobiose N,N'-Diacetylchitobiose 1124959.8530 1406519.3490 1184646.2800 1010761.6410 1362398.2250 1728711.6990 1759923.1490 1972739.9790 2065997.7420 2378318.1870 N_n-diethyltryptamine 987.9155 1035.6090 1059.6755 860.8101 841.0292 569.0122 2175.7501 971.3152 1006.1777 692.6120 N_n-dimethylguanosine N2,N2-Dimethylguanosine 21606.9493 21553.5469 18230.0808 24720.2508 28916.4352 6338.0838 6178.6521 5692.7380 6973.2545 7618.7499 N_n-dimethylsphingosine N,N-Dimethylsphingosine 107533.0612 94710.4627 103811.6790 81361.7375 141875.6188 114107.3369 128235.4289 93969.1338 124889.2363 96239.2849 N-nervonoyl-d-erythro-sphingosylphosphorylcholine SM 18:1;O2/24:1 2245.5282 5275.2347 3381.5911 2429.2891 9224.5417 1332.6336 7794.3759 2655.8925 7319.6647 3876.6212 N-octadecylamine Octadecylamine 43941.5871 46169.9820 65442.7547 46174.2656 52167.8964 49908.1728 39205.4080 38640.6211 37368.6194 46578.3032 N-octanoylsphingosine 27603.9949 57821.3982 32302.7092 28753.6948 45811.9886 24126.4912 47764.9389 47564.1101 36621.9151 26962.0935 N-oleoyl-d-erythro-sphingosylphosphorylcholine 67508.9873 148260.3929 92427.8764 56605.2843 161839.0559 84653.0486 197569.2149 122631.2392 405874.1095 170013.3760 N-(omega)-Hydroxyarginine 11829.3338 7904.8739 13694.4493 12204.5583 12757.6598 8202.3922 13675.3576 12266.4392 12877.6447 11399.4801 Norcocaine 154751.4060 159295.8439 138906.8451 182570.1954 250666.2153 57544.3717 53096.3721 71786.0454 57712.6382 83624.5673 (-)-norepinephrine Norepinephrine 3993839.2720 3609550.4300 3750290.2500 4241446.7100 3693837.3760 2201913.7170 2070655.0610 2616606.4260 1493462.1120 2853669.7100 Norharmane beta-Carboline 9158.3549 9885.4929 6088.1384 7942.2300 5341.3131 7832.2487 4954.3473 8749.2393 4831.5205 5797.2335 N-Palmitoylsphingosine Cer 18:1;O2/16:0 4715.7382 7727.7925 8176.3578 4360.8471 24170.6438 3915.2364 11238.9495 5294.7559 14968.2279 7296.3709 N-(phenylacetyl)-l-phenylalanine 104743.7062 108921.0880 119089.0760 110897.5882 105963.1653 146660.6600 112683.6002 115719.7222 111241.8229 153636.4218 N-(sec-butyl)-n-(4-(sec-butyl(trifluoroacetyl)amino)phenyl-2_2_2-trifluoroacetamide 8193.6162 7456.8287 6261.7644 6686.1710 9199.4765 5205.7594 7372.0669 8845.6657 9145.3423 7919.7917 N-stearoylsphinganine Cer 18:0;O2/18:0 85847.7947 99355.1105 84887.2235 122892.9640 152854.7470 66993.1877 32908.4252 43843.5769 84001.9252 70483.2647 N-[tris(hydroxymethyl)methyl]-3-aminopropanesulfonic acid 38733.3782 34762.6607 36601.1241 31954.7415 34948.3831 14760.3867 32802.3322 36857.9992 35084.1457 30270.5211 N-tris(hydroxymethyl)methylglycine 7242.4096 3124.4540 7085.4252 2858.9155 4991.3125 11566.2525 2638.7039 1197.9801 9546.4773 4532.2511 Nylidrin NYLIDRIN 29375.5736 30917.9612 39611.0181 36141.6227 29817.8868 32758.7207 26701.0147 31448.2924 28906.8186 31588.5906 Obacunone Obacunone 6980.8258 6408.5842 7259.5024 5980.9658 5800.1464 6126.1879 10754.2288 7222.6869 8902.2720 8272.0460 Octaethylene glycol Octaethylene glycol 70749.7541 44458.9210 40088.5971 46013.7350 61028.9411 75712.2860 82502.6666 32803.0313 65978.7793 47716.0777 Octanoic acid_ 2-[[4-([1_1^-biphenyl]-4-ylamino)-6-chloro-2-pyrimidinyl]thio]- 4189.4056 3399.2932 3101.8378 2457.7324 3486.2418 3858.7664 3428.1199 2972.7948 3657.4074 4616.6616 Octanoylcarnitine CAR 8:0 21227.9305 25271.3718 24342.6286 21716.2115 25942.7991 13683.1125 17941.3759 19747.9594 19137.0192 22730.5580 Okadaic acid Okadaic acid 3140.0069 3986.4367 4999.0168 2582.6463 5448.1721 4065.7344 3412.4805 2225.5791 4583.4088 6375.2069 Oleamide Oleamide 6488781.0580 5420007.9200 6612393.5700 10583533.9900 11838918.3400 5195941.8380 9087960.1910 6056821.3610 10007993.7600 6706023.0680 Oleana-1_9(11)-dien-28-amide_ 2-cyano-3_12-dioxo-n-(2_2_2-trifluoroethyl)- 6071.6387 7584.0638 8709.6951 5183.0596 6302.8625 5129.1416 5512.4193 7755.3740 5491.9128 6730.6322 Oleoyl-coa Oleoyl-CoA 5897.7716 3983.3154 4319.3680 4193.6550 5967.0268 1358.3219 1737.2220 2698.7045 1527.4632 4797.1936 Oleoyl-l-carnitine CAR 18:1 366986.8420 446869.1073 329293.0184 365600.5107 390984.4936 277628.8698 401112.9886 374376.9364 618326.3589 301734.3752 Oleoylserotonin 5477.1825 4905.2175 5312.4963 6545.3099 6422.9350 4488.0170 4415.0234 5573.0404 4445.2555 5228.2484 Oleyloxyethylphosphorylcholine 20487.3707 19109.1522 18281.9583 18096.1708 21167.8458 14548.8810 23452.6395 23522.8350 20795.7496 25899.3339 Omeprazole Omeprazole 7744.1756 8631.5933 8078.8354 6518.4965 7578.1266 8381.8699 12516.1488 11022.2805 10447.0998 12213.0034 Ophiopogonin d 631.4536 1335.9912 700.5563 576.0512 1383.6252 927.4516 1260.9661 886.5683 1916.0526 1049.7708 Ophthalmate Ophthalmic acid 28269.8109 31920.0545 29067.3264 19917.8779 32357.2165 22932.0531 25811.5017 22205.0887 16738.0390 35968.9388 Orcinol .beta.-d-glucoside 18534.6386 15518.2251 16975.4022 22814.5669 20386.9114 2214.2089 3262.3912 4192.6368 3178.8407 1804.1471 Oseltamivir Oseltamivir 41754.1804 68957.5269 76888.5449 35273.9817 167859.4907 78923.9323 158049.1809 75984.4503 44516.0383 121091.9584 Osthole Osthole 2170.9121 6194.0318 2162.6356 2866.2531 2366.3531 2428.7476 2190.6319 1408.3521 2399.8701 4393.7363 O-t-butyl-l-threonine methyl ester 711689.1048 733990.2478 635515.7568 577902.7536 414094.5461 1230978.2350 1540852.7180 858142.8538 475896.6547 793685.2445 Oxybutynin Oxybutynin 918.0620 2125.8649 2137.8896 1434.4972 2560.2208 1055.4105 3958.0710 3819.0436 5710.3603 3242.9962 Oxyquinoline Quinolin-8-ol 24632.5834 25851.8067 21890.7781 18746.7258 18269.7684 26990.8542 6796.7737 28658.3798 16351.7109 28075.4240 PA(23:2)+NH4 PA 23:2* 21373325.3800 7598418.5910 8261672.1120 5545695.9690 11765470.5900 16545431.0100 13946911.4200 11541747.3500 23331347.9300 11366375.1200 PA(9:0_12:0)+NH4 PA 9:0_12:0* 23899887.3200 12268619.9900 14997484.6500 11795004.3600 13914227.1200 32575311.2700 24287583.8600 24229495.0100 14086306.2500 17406915.8800 Palmitoylcarnitine CAR 16:0 3785.9639 5753.5524 6376.2047 4620.6084 6593.7215 13044.3294 16406.9867 13473.7075 22222.9948 15125.7067 Palmitoyl coa Palmitoyl-CoA 5412.5916 5041.7604 5172.9976 4908.1432 4475.6753 2044.8372 2590.5908 3053.3421 3120.5564 6294.8331 Palmitoyl sphingomyelin SM 18:1;O2/16:0 3142330.6680 9467519.1250 5830091.5850 2805582.0460 10619296.6200 4837980.2310 10322249.7500 6754956.6020 18820442.8400 7970411.8460 Pantothenic acid Pantothenic acid 1686045.3270 1457468.6560 1073616.6160 1988671.9900 2125737.7100 520791.4137 1147641.0710 1733245.5830 1574409.5860 1749188.7310 Pantothenol Pantothenol 5360.7195 3258.5722 10998.8753 11434.0603 7537.0520 13268.6306 10581.3572 9047.4782 4773.4759 3504.6913 Paroxetine Paroxetine 371.3817 939.5897 2639.0292 1411.5403 1083.2478 2255.1580 6654.6758 1982.5033 2414.7001 2919.9998 Patulin 33098.7043 34542.6061 32899.3176 33068.8197 38610.1986 48571.3296 50558.9126 53800.3175 52445.2729 60484.2147 Paxilline Paxilline 32714.2357 30534.1657 34226.6277 29236.8448 16632.1771 67641.3772 141033.9969 85115.4757 35812.5901 47872.8756 PC(10:0e_10:2)+H PC O-10:0_10:2* 29864564.9700 6401293.7170 22120280.8600 21087576.5500 28274935.7400 23306470.4800 26129986.4200 23126279.0100 23328207.2700 19271744.6700 PC(10:0e_10:3)+Na PC O-10:0_10:3* 188410440.5000 170393611.4000 114638023.6000 134724357.7000 183409903 317962791.9000 386119707 256603376.9000 381132328 282394754.5000 PC(10:0e_12:1)+H PC O-10:0_12:1* 13863508.9100 18458918.2500 17882529.1300 6694137.0530 14403253.9300 10811010.3800 18019179.5400 14786988.5200 15978944.8100 13371881.7000 PC(10:0e_12:4)+H PC O-10:0_12:4* 9504434.6720 2660022.6820 9288035.9420 3000043.1570 9738249.8600 14373280.3300 11683019.7800 11713174.7100 13511102.3300 11185523.8500 PC(10:0e_14:1)+H PC O-10:0_14:1* 46919520.1800 40150362.0600 34604815.4900 25654542.1900 44735940.9700 39884337.6800 45262565.7800 36760672.2600 49547016.1600 30649128.9300 PC(10:0e_17:1)+H PC O-10:0_17:1* 1818556.3170 1348557.8660 1046752.0720 1228833.1050 1133401.3630 4105129.7520 2590024.2380 2488459.3610 4424099.4150 1965954.7940 PC(10:0e_22:5)+H PC O-10:0_22:5* 2147925.3960 1108120.1720 1042160.2790 932379.4543 1195643.8650 2586940.1340 2857391.4910 2235871.7760 3277092.9920 1638889.7800 PC(10:0e_6:0)+Na PC O-10:0_6:0* 110823913.1000 73456255.2300 100184436 65949867.9200 147867543.1000 158404780 202896975.1000 175762282.4000 138047158.6000 155245892 PC(10:0e_8:0)+H PC O-10:0_8:0* 294658615.3000 193653284.3000 210015892.4000 152583805.9000 293536462.7000 437025877.6000 411178087.5000 343587098.5000 376920721 371198544.8000 PC(10:0e_9:0)+H PC O-10:0_9:0* 4191591.4150 3250785.2160 3618581.5410 3273332.6700 4269949.6040 6492040.2180 6251564.8650 5014692.7460 7503272.6120 5380448.9650 PC(10:1e_10:0)+Na PC O-10:1_10:0* 6385051.8660 5451224.7400 6124854.5340 5116456.7270 7764569.5970 5531919.0640 6510302.6530 5891064.2590 5116801.7630 4788623.6210 PC(11:0_16:0)+H PC 11:0_16:0 4656234.6080 3627742.4680 2569824.2950 1605576.7260 4590759.6580 6950815.8660 5175780.8300 5128973.1990 5271389.2130 2952964.6940 PC(12:0_22:6)+H PC 12:0_22:6 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48798420.4000 60628665.8200 53295793.8000 86086394.7500 59118320.7800 76496145.3400 51723075.8400 PC(8:0e_8:0)+H PC O-8:0_8:0* 1020120720 1064501924 950308167.6000 11957262.4800 9250518.0880 1826446364 2060250083 31479657.4200 1251266939 1412726642 PC(8:1e_10:0)+H PC O-8:1_10:0* 2426944987 1538201336 1511929646 1293378945 2447253475 2643535638 3563947009 2874682997 2043436546 2055199636 PC(8:1e_10:1)+H PC O-8:1_10:1* 119896502.9000 75420595.6300 72901742.3800 66397174.2000 112482731.6000 150115344.6000 192497175.8000 163898114.8000 163751550.8000 112474256.2000 PC(8:1e_12:3)+H PC O-8:1_12:3* 88707750.7100 62344320.4200 55238962.6200 64705581.5100 114890705.5000 148384607 198117444 144752000.1000 188626773.8000 163021605.7000 PC(8:1e_14:4)+H PC O-8:1_14:4* 58812240.4900 21952685.8500 40552038.5200 29470804.9100 73430718 110108762.8000 128614477.8000 106573925.9000 172283762 152496926.8000 PC(8:1e_21:0)+H PC O-8:1_21:0* 10229799.5300 13949667.1400 6511387.3420 8140164.5150 13997693.7700 70656182.1900 78316208.4600 85644183.3400 90979171.4500 61111543.9200 PC(8:1e_22:1)+H PC O-8:1_22:1* 7065578.2130 10034479.7700 8279140.3610 7369276.3820 9052452.9990 10323642.3200 13633394.1800 12291331.2200 15835582.8000 9496503.4600 PC(8:1e_23:0)+H PC O-8:1_23:0* 49373978.6600 205140793.4000 43575930.9400 296513819.9000 168220696.8000 200455286.8000 90865990.0700 96950587.4600 277675553.7000 77601399.9800 PC(8:1e_24:2)+H PC O-8:1_24:2* 61357151.5400 91611805.7100 49832110.0400 79649504.0700 65633001.6400 121868625.9000 102921825.6000 106390494.4000 119792996.9000 91258559.5200 PC(8:1e_24:2)+Na PC O-8:1_24:2* 26199700.6600 31063428.1600 31861035.2000 33303085.7200 38723064.4300 44075585.7000 43216459.3300 54816884.1000 48458729.3400 32931274.3300 PC(8:1e_8:0)+H PC O-8:1_8:0* 303064159.9000 242713980.3000 193087694.7000 200065076.4000 323761983.1000 441051834.4000 585199946.4000 498611724.2000 478153385.5000 381386155.6000 PC(9:0_12:3)+H PC 9:0_12:3* 60560652.2000 7620839.9090 5201732.7210 3162964.6560 5497472.9630 10404183.5300 14083868.5100 5528828.8240 10867702.7800 6584654.3520 P-coumaric acid cis-p-Coumaric acid 27321.0209 27544.2253 26046.7732 22161.6943 27447.9006 9584.9551 26012.6491 32451.3946 29668.5764 32511.8979 PE(10:0_11:2)+Na PE 10:0_11:2 9539634.9620 3033655.7890 3177192.1040 1967854.6580 2536549.4050 5595697.8380 9245408.2770 3946135.3420 7423490.1110 4066595.8670 PE(10:0_11:3)+Na PE 10:0_11:3* 79330751.4300 20532955.0700 13378204.3900 10859516.2100 17884600.2600 39134034.2900 50784967.4200 28939017.9200 35092970.5900 22226377.2300 PE(10:0e_10:2)+Na PE O-10:0_10:2* 21095619.1000 7236840.3100 12646083.0700 14701429.8600 17128222.7200 19661412.4800 22345251.3400 24786339.3200 23562128.8000 19411194.6900 PE(10:0p_21:0)+H PE P-10:0_21:0* 64355736.9400 60632318.9000 49752395.1800 52918871.0700 67759710.5500 82505574.0100 67427942.8300 89572580.1000 97595186.7700 50527659.9000 PE(10:0p_23:0)+H PE P-10:0_23:0* 5060921945 5001850855 4310835965 4836981312 5321247800 5466182334 4584289832 5698741788 6763605220 3887249597 PE(10:0p_23:1)+H PE P-10:0_23:1* 160935400.8000 111388320.1000 98653839.7800 134739495.4000 158788421.2000 209959969 152196313.7000 207954755.1000 218705975.2000 143820487.7000 PE(10:0p_6:0)+H PE P-10:0_6:0* 10729354.3300 7963788.1520 7797706.0260 6560374.0530 11011227.7800 15136546.6000 19718034.2600 16409048.5000 16157349.6300 13838332.0600 PE(10:1e_10:2)+Na PE O-10:1_10:2* 130780616.9000 122049447.8000 90726591.9200 102183181.5000 101715543 129125554.4000 138383948.3000 140064252.5000 133559859.4000 99663726.1200 PE(10:1e_22:1)+Na PE O-10:1_22:1* 3512081.5180 4045129.6800 1658046.3890 3615891.6050 3682063.0440 5919205.0210 1106548.4470 5428875.5420 6106519.3380 1034649.8700 PE(12:0p_23:0)+H PE P-12:0_23:0* 10767227312 10276437724 10716138931 11140054159 11033135131 13648892401 13319149256 16248725934 16696447443 10320589275 PE(12:0p_24:0)+H PE P-12:0_24:0* 238493291.2000 277846589.6000 246384368.3000 223467236.5000 241627919.9000 281832647.7000 315424492.5000 333972794.2000 347647848.4000 248100986.2000 PE(12:0p_6:0)+H PE P-12:0_6:0* 109147132.6000 77691902.5900 75497810.2800 86445377.2800 113436708.1000 141802108.9000 160105045.7000 144669088 132858337.3000 121544243.5000 PE(12:1e_23:0)+Na PE O-12:1_23:0* 40184989.9500 43685069.3800 41480548.0200 42371237.8200 50134007.6100 50612741.1100 63207389.3100 70362389.2500 61363416.3700 53098328.6500 PE(14:0e_21:0)+Na PE O-14:0_21:0* 6097233.5890 73721597.2100 7057737.5780 91651525.1900 37745056.3600 47388600.8900 48171572.9300 62753244.3700 34972127.3600 63519056.0500 PE(14:0e_23:0)+Na PE O-14:0_23:0* 6978776174 7168052265 5752233893 6078789050 7027714968 8413017329 6736012740 7788585967 9090993978 7494070662 PE(14:0p_20:4)+H PE P-14:0/20:4 3087172.4070 4037507.2700 1663949.7060 3619835.0090 3387012.2650 5981415.8470 1107883.3990 5440540.7040 3542728.4190 1035213.7430 PE(14:0p_6:0)+H PE P-14:0_6:0* 12272619.4300 10141471.2000 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229160259.9000 PE(18:0p_22:1)+H PE P-18:0/22:1 42091535.9700 41673308.8800 43013601.5500 42684789.9600 41065415.7200 47370064.0900 42343456.8700 47004175.5600 57436812.4600 36477052.0300 PE(18:0p_22:2)+H PE P-18:0/22:2 195381554.3000 118667831.5000 124123208.5000 145422348.9000 165384028.2000 150697713.3000 67501659.7300 132817037.3000 92905614.4400 60444215.8900 PE(18:0p_22:4)+H PE P-18:0/22:4 or PE O-18:1/22:4 105032268 74505827.5900 76921660.0700 43033074.0800 120229153.7000 100596021.9000 61206182.0600 117307820.7000 104280041.6000 52137258.0500 PE(18:0p_22:5)+H PE P-18:0/22:5 or PE O-18:1/22:5 358755896 297734370.9000 294331025.9000 349004328 388724135.4000 477781875.9000 426974442.3000 448351382 458066537.7000 334735715.8000 PE(18:0p_22:6)+H PE P-18:0/22:6 or PE O-18:1/22:6 2109599584 2175531359 2050999628 2078197770 2195510696 2818003181 2479117514 2818029596 3046339022 2184136476 PE(18:1_18:1)+Na PE 18:1/18:1 2161641642 2187967648 1907960826 2081246912 2134548337 2817089304 2338995157 2478874615 2911440847 1864719602 PE(18:1_18:2)+Na PE 18:1_18:2 20188.7947 54682840.2200 5244292.1900 7712515.2890 17113717.9200 5694154.4060 9225471.6620 20766691.8300 33498766.6600 22706655.4100 PE(18:1_22:0)+Na PE 18:1_22:0 50084786.7500 53425766.1200 44615979.0800 52362262.5800 48675520.3300 79004383.4300 74476828.2800 83016755.4800 92207160.0700 60717685.5200 PE(18:1_22:6)+Na PE 18:1_22:6 11022554.2100 9321095.9820 7956241.8160 7315224.6990 8298613.5330 6505864.5680 3413516.8080 7511202.0870 10095158.9200 7440495.5410 PE(18:1_24:0)+Na PE 18:1_24:0 79042907.4700 92661581.1900 89836427.6000 88366393.6100 89313566.4700 151654674 157933448.4000 146779733.4000 172044011.1000 112900316.5000 PE(18:1e_17:0)+Na PE O-18:1/17:0 86137204.8800 86899770.7700 80477603.3100 81758315.2900 83757345.9500 59021964.4500 70583065.7700 70778288.0300 86757432.8700 61852682.8100 PE(18:1e_20:4)+H PE O-18:1/20:4 27628919.7200 16972282.8900 14059059.0500 23967998.1500 30469545.0700 52072419.3400 20048480.7400 29112650.5500 34764950.8100 22222668.5200 PE(18:1e_22:1)+Na PE O-18:1/22:1 32419842.7700 28143003.1800 25471018.3900 25712731.0600 25626943.9600 33230591.7000 25506640.0500 29335714.4600 34044598.8900 20343835.2600 PE(18:1e_22:3)+Na PE O-18:1/22:3 158849422.4000 162817540.9000 151306680.4000 149828001.3000 159974644.4000 135941691.2000 113460204.1000 141404768 142715432.7000 88316835.2100 PE(18:1p_17:1)+H PE P-18:1/17:1 or PE O-18:2/17:1 90560282.7400 129487948.7000 113195312.4000 124364052.7000 64201685.8100 86341072.9700 146861604.7000 89497148.2600 143194914.1000 115110168.9000 PE(18:1p_18:1)+H PE P-18:1/18:1 or PE O-18:2/18:1 2135415353 2217255986 1928956169 2019670653 2085356267 2964715982 2567288531 2853781794 3401702078 2092578814 PE(18:1p_18:1)+Na PE P-18:1/18:1 or PE O-18:2/18:1 2157145110 2226597467 2021028389 2177904619 2273980506 3212839744 2687684533 3194459070 3475011632 2296384757 PE(18:1p_18:2)+Na PE P-18:1/18:2 or PE O-18:2/18:2 141471594.8000 166257075 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PE(18:1p_22:2)+H PE P-18:1/22:2 114470892.9000 116405889.3000 121050528.3000 80974226.3000 95225221.5900 39404231.4400 66955779.6100 59994970.7800 82280652.9000 54313282.1700 PE(18:1p_22:2)+Na PE P-18:1/22:2 95506238.0300 80947736.8500 88201180.1200 85969634.3500 88647798.2100 135103158.4000 106019164.6000 152435489.6000 142025957.2000 84874927.9500 PE(18:1p_22:3)+Na PE P-18:1/22:3 69185676.3700 67278266.7400 63234172.5000 69412397.9000 67785129.8300 71330461.7200 53039578.4400 67239254.1200 80776079.8400 47844107.6700 PE(18:1p_22:5)+H PE P-18:1/22:5 3359850.4280 7209071.6700 7869405.6180 519946.6473 4852941.4940 620335.7029 7500872.2650 939731.6118 5577088.5180 2864395.8560 PE(18:1p_22:6)+H PE P-18:1/22:6 or PE O-18:2/22:6 2322446158 2108998923 2197381852 2300356034 2363354962 3079768289 2365175075 2752538442 3359092187 1992238471 PE(18:1p_24:1)+H PE P-18:1/24:1 14269929.8800 15422963.3500 15270663.6800 15630151.4100 15352261.4500 12851064.8200 10728533.3900 12505018.5700 15382464.8800 9406538.2630 PE(18:2e_17:1)+H PE O-18:2/17:1 46942058.0600 43610666.2800 44963140.1400 41988103.7800 56254962.3200 38916001.2400 33921672.4100 48903036.6200 43555515.3900 29588189.4700 PE(18:2e_19:0)+Na PE O-18:2/19:0 177208100 61901287.9600 136584300.1000 59322313.8100 132309523.7000 300801217.2000 159366895.6000 252085830.2000 273558379.4000 209326390.8000 PE(19:0_22:6)+H PE 19:0_22:6 10582613.5100 13813034.1400 9903210.2690 11495866.8700 5514093.5340 26477423.9700 22197267.5200 25398699.7300 22709613.3800 18456273.5300 PE(19:1)+H PE 19:1 59182029.5600 11714954.2000 9411217.9080 7292331.3690 14448533.1000 30530730.0400 36613448.1800 19298692.2300 29128643.4000 18707919.2000 PE(20:0p_20:4)+H PE P-20:0/20:4 or PE O-20:1/20:4 76172302.9200 97263391.0200 82350272.3700 89028634.7600 89633943.3600 120701942.9000 112559245.8000 112721446.7000 131228268.3000 82611030.4400 PE(20:0p_22:5)+H PE P-20:0/22:5 or PE O-20:1/22:5 261256775 191071743 200047636.1000 185445880.5000 234869280.6000 296284932.1000 215704415.1000 302431004.5000 307276523.9000 206446997.6000 PE(20:0p_22:6)+H PE P-20:0/22:6 131829705.9000 136247665.6000 131518560.4000 128256353 127548333 164210879.4000 153651184.2000 170289248.2000 205552676.9000 141771807.4000 PE(20:1p_22:5)+H PE P-20:1/22:5 92019490.6300 80656786.0100 86592295.5500 90040974.1200 82162729.1200 153443105.5000 104606187.4000 119012471.9000 137424991.2000 82361420.8400 PE(20:2_24:2)+Na PE 20:2_24:2* 5360571.3880 6171818.9400 4549209.0050 5510298.0810 4264622.7100 7480823.1410 7097510.8600 7226185.4390 8644011.8380 5190227.9390 PE(20:3_18:2)+Na PE 18:2_20:3 106265783.2000 102959378.6000 59753308.9700 99306855.0800 90352672.5600 150799058 106184548.3000 89200988.3700 105847760.9000 66942180.7900 PE(20:3_22:1)+Na PE 20:3_22:1 3799343.0470 7675369.9580 1891719.0510 2778937.2080 3206568.7850 19140252.6700 35823503.9400 17104915.4600 19660039.8300 13966292.4700 PE(20:3e_17:0)+Na PE O-20:3_17:0* 15597488.6600 19484231.6200 14658644.0900 20948879.1900 13566297.3000 26048410.7300 33268699.3300 40993334.2600 41978718.5100 33444277.5400 PE(20:3e_17:1)+H PE O-20:3_17:1* 42141819.7400 46442591.9900 45969951.2600 44569377.0800 50126064.2500 41438131.5300 39671365.6500 45306432.5200 53217719.1600 32996473.0200 PE(20:3e_18:1)+Na PE O-20:3_18:1* 91559490.9200 82047505.7200 67448695.1000 77228334.2900 89374814.8800 122701695.1000 75781119.8400 129536237 141243428.8000 77338514.2000 PE(22:2_20:4)+Na PE 20:4_22:2 1732588.1190 1444958.4390 1168309.4020 3414132.2320 7215327.6170 5205501.5740 11053261.2600 13749401.3700 13366416.0200 8300559.7150 PE(22:6_22:6)+H PE 22:6/22:6 1763486.8070 3795330.9310 2313428.9970 1621230.7900 2232681.0790 4775074.6950 3379597.1400 2059648.6460 1484229.6920 3132722.2890 PE(23:2)+H PE 23:2* 1958578.4000 354129.9376 134724.1935 79672.1724 263887.4427 365802.2346 315685.4928 34992.5683 159771.3946 41643.4698 PE(28:0_21:0)+Na PE 21:0_28:0 25460657.6000 30107138.5100 32701537.8200 29182499.7700 26071499.6000 45711709.3200 34913947.3700 58632817.1400 54199348.1900 40294260.6400 PE(33:0e)+Na PE O-33:0 63616900.7700 70053011.2400 64432653.6700 57441616.4600 62016139.7700 91971964.9200 95523290.2400 114251344.6000 109149745 88938552.0800 PE(33:1e)+Na PE O-33:1 21917897.1700 20672406.2300 20672891.5600 22249097.5900 19877138.3200 26464058.2500 25122097.6000 36683855.3100 30366857.9600 26056391.0100 PE(34:0e)+Na PE O-34:0 13521941.4100 30899840.2700 18575926.8900 28635078.9400 31635659.0600 46024581.1600 47285736.8100 56181365.5000 34735472.7700 20258541.2100 PE(34:4)+H PE 34:4 1370857.1660 1203893.8570 934153.4964 666609.6464 1164207.1710 1992107.1510 2291728.5590 1554105.6530 2042763.6140 1127135.6390 PE(35:0_16:1)+H PE 16:1_35:0 10888845.2000 8087555.2640 8599962.5290 9371454.7160 12023117.8500 18991377.3100 8231081.2680 12926322.1200 19099569.0500 13049387.5500 PE(35:0e)+H PE O-35:0 61383110.2600 58049383.7700 57222440.9400 80208364.9600 79505794.7500 40411540.3400 63272501.6700 214286568 91846374.9000 201589063.5000 PE(35:1e)+Na PE O-35:1 114742458.5000 154687936.6000 126096268.9000 132442350.9000 136951486.4000 169059259.1000 171535427.5000 222882713.9000 249586116.6000 174020799.6000 PE(35:2e)+Na PE O-35:2 12048018.2700 17442360 16568363.3700 17069713.7100 17856826.4100 26206418.8500 31316528.6800 25343629.5300 29236120.2100 25687300.7900 PE(35:3e)+Na PE O-35:3 207392.6110 1538391.7810 387396.0165 874749.1407 492008.6700 1582692.3950 886570.3359 2628697.7760 4445614.2080 1942744.8090 PE(36:4)+Na PE 36:4 151757164.5000 154642791.5000 153818966.7000 145492770 137934089.1000 270822680.2000 199025172.1000 236941686.1000 327313974.7000 194339963.5000 PE(37:0_14:3)+H PE 14:3_37:0* 26898280.5700 33206478.8400 33486309.6200 30307776.3400 28684835.6600 47896197.9500 35699974.2500 59713284.1700 54822394 38980744.6600 PE(37:1_16:1)+H PE 16:1_37:1* 14236808.8700 14817882.5500 13415471.3800 14647807.5200 15623849.3600 14085188.7400 27207615.4900 23784182.9000 19964182.5900 19106500.2900 PE(37:2e)+Na PE O-37:2 7042665.2290 12884552.2000 13887452.5900 15947080.9500 10885206.3600 10516308.0100 10049758.4200 21622743.3100 22194843.0100 18522601.1200 PE(37:3e)+Na PE O-37:3 31526472.4400 37622838.0800 26454660.5500 16309799.4000 20878683.3800 34519506.2200 17987321.7600 51239065.1600 51979884.9900 27881696.3700 PE(37:4e)+Na PE O-37:4 31751842.1700 25584802.4400 31786159.8700 35935408.2900 37490638.4700 45786645.0700 14229688.3100 23215835.8600 35395638.5700 28094178.1100 PE(37:5e)+H PE O-37:5 23315839.7200 18695878.3000 17644418.3700 20540048.5700 21603074.7700 30672152.3200 20146807.5200 29419508.2900 44563633.9800 5675260.7800 PE(38:0_14:3)+Na PE 14:3_38:0* 2912791.4220 3983430.5860 3019012.7840 3097666.1680 2613279.8480 4613983.7540 3650482.5520 5248882.4420 4650634.5270 2671557.1110 PE(38:1)+Na PE 38:1 142101040.2000 130701195.3000 99879011.5300 123464744.3000 142593340.9000 212576332 176809438.4000 196702974.3000 201936634.8000 168021518.9000 PE(38:4)+Na PE 38:4 14640644.5400 9674747.5060 8541051.0710 11369919.9200 13866688.2000 14089913.5900 9902260.0390 10123310.3000 18935868.1900 8448896.4270 PE(39:1e)+H PE O-39:1 11650405369 11316657601 10073009550 10654082509 11343504107 8911373850 7615410302 10267753108 11504024318 6546024252 PE(39:3e)+Na PE O-39:3 74446691.1900 42015282.8000 97886022.0800 105559649 174911444.2000 41368577.1200 24459360.1000 204712361.7000 114995208.6000 24565432.7800 PE(39:3)+Na PE 39:3 262774299.5000 226914182.5000 209180111.5000 225157976.2000 236103742.4000 337887625.1000 302083882.4000 364026788 355206860.3000 288481830.7000 PE(39:4e)+Na PE O-39:4 6020953924 6435083756 5394446732 5974985076 6248274885 8968892037 8015681066 12047489202 10458250924 8438967985 PE(39:5e)+H PE O-39:5 4701489303 4876351907 4221913804 4611415244 5070917571 6916785590 6245551457 7458678080 8632727275 5464140204 PE(39:5e)+Na PE O-39:5 15344203.4100 15153837.7200 7361966.4340 28304664.8600 20527927.4000 24841174.3000 18197665.9300 49575519.1800 61562486.3800 39798041.5600 PE(40:3e)+Na PE O-40:3 26660018.7400 25260025.0500 18080380.6800 21149726.2900 27130908.1300 30928266.2500 33250494.0700 29514960.6300 52902025.7700 30535971.6700 PE(40:7e)+H PE O-40:7 5695666.8850 7798772.3960 5392128.7930 8936815.4720 6020715.4620 10822824.2500 9140090.8080 11861721.4400 16581370.5800 9439088.9120 PE(41:1e)+H PE O-41:1 902772712.5000 912476199.9000 804826221.4000 829356260.8000 914114017.7000 940115390.8000 774303903 892975913.2000 1069218325 573249399.5000 PE(41:1)+Na PE 41:1 2332905.6200 3246811.8160 2003806.4390 4276324.5990 3105600.5340 2415188.4170 2995810.0450 2227501.3920 2318440.6040 1400071.0630 PE(41:5e)+H PE O-41:5 744262360.4000 832797518.6000 846479708.6000 735041623.3000 1042192718 1245886911 890763145.9000 1093006685 1379578203 727073328.7000 PE(42:6e)+H PE O-42:6 10357759.0900 5692197.9480 12617819.2500 16341168.8400 16466513.3500 25591962.3400 19303140.5900 19244431.4700 23120264.9300 12840454.6000 PE(42:7e)+H PE O-42:7 335118870 372348275.5000 316344256.8000 348249604.3000 376378831.6000 574229203.9000 480464109.6000 617705700.4000 707564043.9000 411668836.1000 PE(42:7e)+Na PE O-42:7 45985187.5500 66228125.0800 42166903.4400 73803942.4700 52678396.5500 90867592.8600 105675351.7000 86451499.9100 87156166.8100 89537688.0200 PE(43:2e)+Na PE O-43:2 9800287.1390 9519875.3000 8768628.8760 11594636.8200 12590507.8000 12849206.2100 7995692.7170 13276805.4100 16626303.8900 8029380.0250 PE(43:4)+Na PE 43:4 14406761.8900 17686643.6000 13179675.8800 13514208.6100 14676460.9400 19085944.1400 17335280.4000 18311026.3000 25816157.8000 15512326.4100 PE(44:1e)+Na PE O-44:1 153002060 140945542.3000 148086417.1000 159069823.3000 132389495 153415371.5000 127043247.1000 157290201.9000 172275395.8000 114751892 PE(46:8)+Na PE 46:8 14093015.0100 10246826.8500 12948373.0200 6626303.7390 8774867.6690 10245344.7400 9971602.5730 18376284.6500 12196669.3300 9424082.0310 PE(49:1)+H PE 49:1 7142430.1680 7296545.2810 8493215.5590 7689916.6170 7142595.8510 13214991.9300 16436047.8100 20144246.5300 19485331.3800 15088450.2000 PE(51:0)+H PE 51:0 11834983.6600 16180509.1300 13023141.3400 14503034.3800 12182392.0200 18373962.9300 15551509.8500 21632456.7700 21622590.4800 17250263.6000 PE(53:1)+H PE 53:1 14604662.8900 8677506.0820 8786135.5110 7730941.7250 13629404.6400 23231975.8100 19005572.0500 29435971.0400 21775921.9200 17386391.2600 PE(53:3)+H PE 53:3 13018020.8500 19040670.2200 14904071.1100 17359888.8600 14591479.5400 23932321.2800 21346773.6700 32060114.1900 26656193.8500 22674390.7600 PE(53:4)+H PE 53:4 8705288.0110 10798588.0500 10248793.2900 11411410.0700 10471777.6200 20201957.0800 14523387.4900 21787486.9900 20350591.9900 15656511.3000 PE(8:0_11:1)+Na PE 8:0_11:1* 41060381.3500 12746876.3600 8630291.0650 5754823.5740 9312517.7840 18649410.3600 28651594.0500 17101860.3000 22590631.7900 10120649.2700 PE(8:0_11:2)+Na PE 8:0_11:2* 4049754.1790 1371801.5480 140240.4431 183207.6792 176176.7471 538657.5039 2369479.7660 1426657.2340 863787.1284 500575.7797 PE(8:0e_10:2)+Na PE O-8:0_10:2* 3276204.4220 355772.0273 951220.5420 2592199.8170 7023495.9780 8457591.1090 5465889.8030 7844253.1450 7141963.7560 5169752.5530 PE(8:1e_10:0)+Na PE O-8:1_10:0* 54483394.4800 41698772.7000 38859878.6900 37465512.3000 46011510.0300 52562735.2100 63377878.6000 56462347.1400 56000768.9000 43733015.9000 PE(8:1e_12:3)+Na PE O-8:1_12:3* 12805794.8400 8324594.8500 8896771.0590 7690751.1860 10760069.2700 11442961.3300 19135597.5600 14614025.0900 15235253.6400 10621266.9300 Pentapropylene glycol 53967.4376 59942.1848 50324.5746 110203.3247 53269.9924 50283.0963 65216.9293 55795.5249 54378.1574 66199.9043 Peonidin-3_5-o-di-beta-glucoside 7932.2593 11938.7781 9273.5167 6601.3903 8377.9247 4025.3023 7368.0224 6111.7583 8121.4974 7255.3726 Perifosine 10037.6827 7805.6468 8771.7089 11001.1712 8749.3536 10493.4792 9068.3343 10070.1879 11744.8224 11920.8633 Perindopril Perindopril 1072287.2760 1009465.9040 985551.7874 961039.1635 1076243.0940 856840.6149 955895.4533 1123965.3710 1093646.4820 1273605.5410 Permethrin 7471.8676 7196.2010 8370.1807 12266.2217 11454.7328 1352.3959 8568.8806 5567.8018 6802.0170 6498.9564 PG(10:0)+H PG 10:0* 2055571.1600 1971090.4060 1419002.2650 1238933.6680 1377418.7180 2063155.2380 3220076.4050 2395339.8530 1514708.8770 1351722.6080 PG(14:0)+H PG 14:0 2575714.4880 2524430.6610 2039331.2810 1418714.3860 1872795.5070 3010532.0170 4234414.4020 3774318.0590 2227100.1360 2083809.7610 PG(16:0_16:0)+NH4 PG 16:0/16:0 160683066.2000 57467275.7300 86559122.7100 40711124.3700 52070727.1500 87725208.9200 56760868.2100 97330324.4200 32676031.9700 48444639.5300 PG(16:0e)+Na PG O-16:0 590566034.9000 550417308 500099584.1000 270806463.2000 447615258.8000 531492175.6000 572637705.6000 602542692.6000 329780533.1000 477497513.6000 PG(16:1_12:3)+NH4 PG 12:3_16:1* 4793774.4820 5219228.4860 3174314.4340 3959532.8790 3684834.6540 6505003.8750 5199909.1570 6446255.4500 2532032.7960 4878334.7100 PG(16:2e_12:3)+NH4 PG O-16:2_12:3* 6076090.4880 10315585.2700 5022406.8360 5983582.6260 4534351.7820 6459545.1540 9105218.6900 8122884.1930 4642372.3160 6301346.7810 PG(17:0_17:0)+H PG 17:0/17:0 1081260439 1044188026 994758432 1020569555 1091284729 1581422097 1297695547 1537115186 1705055918 1089091207 PG(18:0_18:1)+H PG 18:0_18:1 46007350.4700 43128420.0500 43397203.5200 46269815.8600 55276282.3600 69338467.1200 47063078.6400 63962763.3000 63171694.2700 48005500.2600 PG(18:0)+H PG 18:0 3359706.6420 3182981.8760 2326377.7930 2115239.5610 2523183.1170 3968421.9340 5085832.1090 4421217.6390 2766859.5450 2588755.3290 PG(18:1_18:1)+Na PG 18:1/18:1 12537528 13072660.1900 9786589.1800 10142627.2100 12027755.9600 11098859.3400 8109466.9720 15228787.4600 20940722.2200 6183930.8860 PG(18:4_22:6)+H PG 18:4_22:6 2344061.4330 2289585.6950 1811494.8090 1251401.5000 2487088.7630 5378863.1180 7657827.4340 6125747.0880 6635255.6180 1139603.8710 PG(24:2)+NH4 PG 24:2 23408672.7200 10483730.0400 10586819.2500 8333283.3030 10665034.5900 15912680.5500 13808364.7200 11433164.5300 16031319.3200 12095499.9400 PG(33:1)+NH4 PG 33:1 275085208.4000 281272403.8000 258175566.7000 260712365.9000 283186949 412787215.1000 350026323.3000 400865314.6000 444505062.8000 286586878.3000 PG(38:2)+NH4 PG 38:2 83298499.9700 27219415.1100 12374456.2100 24356192.4400 34226348.1500 96643103.3800 24172466.2600 39556005.9100 30513186.3500 14917993.8400 PG(38:4)+Na PG 38:4 13670856.6900 21765301.0600 17213438.1700 19640251.8000 22625740.7800 32281757.3900 45869522.0100 36427381.3000 47027122.3400 29780553.3700 PG(40:1)+NH4 PG 40:1 107088913.2000 118364739.1000 95800330.1700 118125143.8000 122625050.4000 118959808.8000 127626419.7000 133898291.6000 164045313 94060076.5400 PG(8:0e_8:0)+NH4 PG O-8:0_8:0* 12314595.2200 18050378.4900 11179341.6400 12424798.3300 12306431.1100 18126636.9100 18627026.4800 20220113.2900 10827967.8800 11123957.8600 Phe-Ala-Leu Phe-Ala-Leu 2466.5116 4726.8906 2751.9953 4608.1674 987.9713 4970.0104 8560.9815 6382.9999 3550.2149 2259.4298 Phe-Ala-Ser Phe-Ala-Ser 3636.3424 985.3358 2104.1489 1970.6679 1100.1858 2086.9216 8861.1360 7098.2598 1647.8917 2533.4190 Phe-gly Phe-Gly 2197.7626 3328.9828 1505.3540 797.1998 678.6087 2604.8248 15195.9264 3415.0046 3636.5191 3515.9623 Phenacetin Phenacetin 14294.4738 14597.9371 10667.0208 13172.4980 18564.1077 1329.3352 3437.2825 5051.0139 4701.2485 2540.8145 Phenamil Phenamil 58117.0896 51694.8940 64958.5780 72290.9888 37384.6709 72415.5320 48447.6212 64566.9084 32655.6198 58842.8317 Phenanthridine 5910.2087 26284.1495 29813.1868 423.3146 1422.0624 13566.1523 18966.2087 20713.2553 22447.7137 24872.0340 Pheniramine Pheniramine 400821.3200 414847.9221 397899.7696 400205.3897 475606.9022 246482.9972 317115.7793 360862.3452 386213.6643 408782.0728 Phenylacetaldehyde Phenylacetaldehyde 96985.7391 189266.5905 427158.6254 85738.5884 46422.0958 722345.6553 715937.5826 331558.9882 376639.2562 350830.2677 Phenylacetylglycine Phenylacetylglycine 19476.2621 18701.8747 17572.1817 21408.8126 22036.8080 21238.2598 19612.8644 16953.9607 21830.2986 19817.7312 Phenyl salicylate 3793.4578 4349.4861 4110.0654 4167.4103 6642.0013 3917.7789 5149.8209 4177.8937 2983.3646 7928.1194 Pheophorbide a Pheophorbide a 5152.1119 1630.9312 2590.1927 3384.4829 2011.4950 951.3207 531.2244 746.3729 499.4600 1224.8828 Phe-ser Phe-Ser 2150.8106 4339.5346 6360.3152 3235.0739 692.5021 2887.6884 4533.6361 6144.9788 3867.1410 4523.3150 Phe-Ser-Lys Phe-Ser-Lys 1030.0559 47.1053 113.8759 731.8163 605.8308 1134.9092 3646.7809 1097.7670 1561.1033 1147.6766 Phlorizin Phlorizin 14692.2805 12384.3022 11325.9494 13297.7016 10472.3977 11391.0701 13445.6071 20367.3027 14935.3743 17645.4400 Phosphocholine Choline phosphate 39667942.8300 43902880.9000 44459217.6800 39047665.4200 45113677.6000 30042831.3100 36518909.3700 41400587.9500 40026666.7100 37395107.3800 Phosphocreatine Phosphocreatine 10144741.7700 10538305.1400 11068515.3700 8527609.0890 12026736.1600 1373771.6640 2201366.5930 6020448.2120 3986593.3330 12291615.9000 Phosphoglycolic acid Phosphoglycolic acid 1299.9017 1558.3036 1969.3235 1499.7463 1473.8568 995.5783 2520.6481 1977.2452 1910.0782 3198.7465 Phosphonic acid_ p-[2-[3-[[(1-benzoyl-4-piperidinyl)methylamino]carbonyl]-2-naphthalenyl]-1-(1-naphthalenyl)-2-oxoethyl]- 1608.2589 3669.4242 2205.9618 3265.5196 2956.1038 969.6605 960.8129 1235.3799 436.5922 1950.9244 Phosphorylcholine Choline phosphate 23538487.8000 35435292.4200 38255341.4400 35393875.6600 37050428.2200 35186942.3300 37391355.1600 35512338.3500 38539187.4900 36663614.2200 phSM(d44:5)+H SM 44:5;O2 92803012.4800 131580542.7000 137860407.8000 114690242.7000 150166947.1000 74587180.3100 31376032.4400 91740531.2600 240269967.2000 111317120.5000 phSM(t37:2)+H SM 37:2;O3 5840386.3860 11342830.6500 6280058.6830 6761460.4220 7954995.4440 11573136.3300 8500470.2740 11394928.8500 16776015.3400 6749566.9110 phSM(t39:2)+H SM 39:2;O3* 10028678.9700 6865808.9430 5926464.5040 5093772.3390 3267619.8270 7716887.3430 7680669.2870 24473104.4800 19599572.6400 4993379.4070 phSM(t40:1)+H SM 40:1;O3 116527561.1000 122641780.3000 108219639.9000 117593109.4000 132084667.8000 97201288.1300 97630011.5600 113443413.3000 128918562.8000 70636270.9100 phSM(t40:2)+H SM 40:2;O3 580683868.5000 755643127.6000 439636182.1000 774322934.9000 606766863.9000 346294801.5000 526494779.4000 521460580.3000 458854374.1000 403288476.4000 phSM(t42:5)+H SM 42:5;O3 95890218.4400 96503838.9800 83453159.7600 94860991.1400 107169655.1000 86071846.8200 100680046.2000 116767480 110579362.7000 72671475.1600 Phthalic acid Mono-2-ethylhexyl Ester Monoethylhexyl phthalic acid 7258.8859 13334.0755 6693.1667 8342.9176 10888.2272 11348.7597 8395.2893 11136.6632 7819.0369 10886.1629 Phytosphingosine Phytosphingosine 58605.6747 67424.3242 70974.4009 66719.1458 65842.9391 83640.3657 68881.0620 94803.9785 73397.3863 70805.0510 PI(10:0e_20:3)+Na PI O-10:0_20:3* 3969545.5920 3875557.5850 2369827.3700 2525631.9030 4893517.4420 3902990.8770 4799625.2400 6364827.0710 5411425.5940 3750210.1080 PI(16:0_18:1)+Na PI 16:0_18:1 55190026.2000 51363656.4300 43519165.2600 31571225.5000 56920849.7800 74811823.1100 74669142.9600 105900133.3000 96803293.5600 67497073.0700 PI(16:0_18:2)+Na PI 16:0_18:2 1596930.3220 1128644.2020 1060787.7300 609422.7092 1552756.1450 2485998.9610 2911496.2200 3344621.6830 3361585.4060 1724023.7340 PI(16:0_22:5)+NH4 PI 16:0_22:5 1814313.9380 1806581.2610 1303653.5090 1613124.5400 2064132.9870 2153602.5680 3603715.5100 4253635.3430 3346179.9480 3212015.1560 PI(17:0_18:1)+Na PI 17:0_18:1 9584839.6140 8735981.3100 7629501.4830 8286673.2240 10348949.2400 15332714.6900 12898220.9100 18336262.9200 27496192.7100 13577177.6100 PI(17:0_20:4)+H PI 17:0_20:4 29403385.6600 26722053.7100 22507041.0500 21044813.8200 34160326.8700 42934937.3200 41789163.2200 57383745.2300 68514892.1600 44265870.2000 PI(17:0_22:4)+NH4 PI 17:0_22:4 5251252.8920 3996568.1680 3639656.1470 2844702.5780 5686467.3160 8037849.6870 7460146.4780 12140099.3900 10070239.2200 6029681.0460 PI(18:0_16:0)+Na PI 16:0_18:0 36061053.3100 24125152.2800 18832722.0300 15755623.6800 31714446.8800 35873364.1100 22431607.8600 39331411.2500 38221316.5100 20152978.8300 PI(18:0_17:0)+Na PI 17:0_18:0 4150723.5440 5974553.5510 1487041.2470 1322064.8970 5608497.6180 3517183.0410 5634922.8300 6132340.8710 4205855.2510 5735518.9760 PI(18:0_18:0)+Na PI 18:0/18:0 58681184.5800 40788536.1200 42064912 27886749.0900 74008722.6300 48386735.8100 40376302.0100 78039985.2500 56100931.7000 38951985.3400 PI(18:0_18:1)+Na PI 18:0_18:1 206919214.4000 187653536.4000 153703885.4000 157869695.2000 237085264.2000 244380135.6000 265807187.7000 369110425.3000 302162387.5000 261562544.6000 PI(18:0_20:1)+Na PI 18:0_20:1 6909049.2150 1415851.1240 5131064.2470 760351.1574 6565046.0560 14858125.0600 5983506.6740 16399272.9000 7181288.1440 5433988.5560 PI(18:0_20:2)+H PI 18:0_20:2 121472260.2000 102946525.7000 93389059.3700 64761726.7600 156414618 79521395.8500 72073742.1500 118904336.5000 78149703.3400 64078101.6000 PI(18:0_22:3)+NH4 PI 18:0_22:3 40597775.7700 35888557.2700 29455284.5200 20060561.8300 49808484.6900 45201113.7600 43860908.1400 60256200.0800 48564595.4100 37227971.3000 PI(18:0_22:4)+NH4 PI 18:0_22:4 19915067.0200 15343153.4100 8726727.7790 11250498.9800 22412888.0300 24763765.4900 30459823.4200 40522769.1600 16430698.3800 27226612.9400 PI(18:0_22:5)+NH4 PI 18:0_22:5 1239152.9660 4861163.4510 1883302.9090 18471475.2300 1346462.1070 17969795.6500 1639179.8490 4215609.2490 2020018.7640 2756461.0560 PI(18:0_22:6)+NH4 PI 18:0_22:6 4164151.6510 1753644.6470 1560708.6250 692126.4531 2523993.8120 4931699.8570 5168040.4820 10331359.5000 3428656.7020 1387906.5360 PI(18:1_18:1)+Na PI 18:1/18:1 191653290.1000 168397619 158074306.8000 119000177.7000 206468096.3000 242628282.5000 223878429.1000 305936587.2000 280762778.9000 208594999.7000 PI(18:1_18:2)+Na PI 18:1_18:2 5655429.6320 3928410.5940 3583957.2250 2992120.9800 6005493.8110 7385623.5030 10695279.8400 10959953.4800 10190194.9500 5788439.0930 PI(18:1_20:2)+H PI 18:1_20:2 53207677.8700 31600828.8400 26459257.1500 24252379.9900 50519692.3100 41348909.0200 44487332.0300 70217036.6600 60109646.1300 48285351.8500 PI(18:1_20:2)+NH4 PI 18:1_20:2 18276178.5700 16420067.0300 1608584.6430 4323689.3830 17924860.7600 27181764.0800 17912319.7900 26939846 28541448.8200 19505722.0700 PI(18:1_20:3)+H PI 18:1_20:3 92230053.6900 67569916.0200 61470296.5600 54262436.8400 101964685.5000 96223971.5800 60001479.9500 138682933.8000 114820601.9000 64991011.5200 PI(18:1_20:3)+NH4 PI 18:1_20:3 55105109.0700 81185979.2700 83431118.7400 50412945.1500 65160472.8300 63632287.8700 86975942.2600 125531143.3000 124876436.4000 120777762.2000 PI(18:1_22:4)+NH4 PI 18:1_22:4 102230161.6000 88881746.4200 76027449.0700 61537745.4300 111590879.9000 104385595.2000 112690259 163381131.1000 143666846.4000 94609428.9300 PI(20:1_18:1)+NH4 PI 18:1_20:1 15969578.0200 19919493.1500 11711224.7200 12419745.0200 14671743.0900 28239264.2400 34093435.5300 40488158.5200 45024623.9700 26832560.9400 PI(22:3_11:2)+NH4 PI 11:2_22:3* 1277098.6960 321314.6783 657692.2008 658642.8950 625023.7554 4393846.1490 4927915.8170 4756205.6960 4178269.4770 2675882.4360 PI(32:1)+Na PI 32:1 1496828.5640 2124712.9440 1830405.2990 1338459.0700 1850838.2960 7191215.2380 9803660.4700 6387431.4420 7840406.5890 6609209.2450 PI(40:4)+NH4 PI 40:4 24068804.1700 12860883.8000 5675286.7190 8534862.7960 21305298.6200 15953604.5500 14707392.9300 27989771.2000 22963766.8600 11540536.5900 Picolinic acid Picolinic acid 42571.6906 47927.7621 45761.5573 42198.6843 45664.1963 40632.3989 26255.3185 53519.2948 20756.1572 33629.0922 Picroside i 1285.0900 1139.4368 1310.6938 1171.8928 1148.6297 1163.2070 1431.1417 1189.7030 1295.9287 1542.1311 Pidotimod 269428.4192 274826.1095 250595.1901 291145.4204 331828.6409 79641.5679 115701.2926 148094.9291 141238.0422 191991.8393 Pirinixic acid aminothiazole 12805.6518 19102.5445 32187.9266 11765.0290 25846.9900 4151.4167 9108.1076 12660.8144 11516.8015 12132.8402 Platensimycin 4285.8552 7540.6581 5186.3184 5162.6272 6469.6747 6613.8780 8943.4230 6537.5449 8154.6327 5604.9643 Podophyllotoxin 5822.3649 4921.3901 6935.3970 6442.7927 5713.8805 3077.1713 2139.8227 3125.6714 1615.9105 2581.1717 Posaconazole 10929.3240 7288.4991 7430.9448 10705.9630 10010.9713 7783.3850 18140.2582 9245.0436 10593.8843 6891.4342 Pregabalin Pregabalin 52615.5468 28607.8138 36314.6871 57730.7562 30287.4333 12431.1647 40255.0691 30245.1162 35436.9699 44756.6796 Prim-o-glucosylcimifugin 6224.9776 6168.3893 6295.5167 5399.8200 6221.9841 6399.6836 6132.8300 6520.3915 7943.6617 8924.9326 Pristimerin Pristimerin 16560.7099 5131.7587 3975.3258 5753.4159 10726.8126 4513.9832 19330.4989 6240.5344 8577.7472 7283.4646 Pro-Ala Pro-Ala 971.1160 814.2913 1212.3174 1186.2689 539.9444 1181.8246 1012.7603 758.5226 10970.0495 469.9500 Pro-arg Pro-Arg 47962.3022 46355.2692 49827.0089 47151.3348 52405.5853 24667.4224 29899.8581 28911.3398 43618.7556 35659.1693 Pro-asn Pro-Asn 12679.6719 10299.5255 6982.9010 9898.7852 12572.3207 12015.4112 11547.2270 14257.7656 15388.3193 13408.7600 Pro-Asp Pro-Asp 382963.9903 406451.0657 334179.0939 272482.5998 318926.3136 258304.2920 306096.9537 347510.2853 424705.5801 345341.0964 Progesterone 3-biotin 5301.9015 3394.9350 4929.9236 2742.8603 2725.7523 8072.5109 21372.6463 7802.6642 3043.1112 5232.2095 Pro-gln Pro-Gln 31454.1682 35187.2378 36126.2939 30931.9631 34103.3414 32524.4056 38240.3173 37845.8612 37271.6249 43756.3298 Pro-Gln-Lys Pro-Gln-Lys 25466.8576 26176.9584 25481.0124 24664.3000 26783.3927 19006.9190 32813.2245 23969.2042 23074.6254 27257.9442 Pro-Glu Pro-Glu 716997.0049 741699.8481 753812.7103 578182.0920 710831.4542 749033.7104 807674.5798 958576.1512 979394.8695 1102433.9740 Pro-Gly-Pro Pro-Gly-Pro 10848.6672 12903.3519 10089.2964 10025.9596 12315.3806 13524.7746 11998.0793 12990.7668 14289.5956 21057.6158 Pro-hyp 123251.2885 175918.3661 126091.0380 119080.1210 182513.5369 52060.5761 58889.6029 86934.1003 65526.0859 88564.3916 Pro-leu Pro-Leu 145475.1158 151866.2140 149608.5131 162116.3607 190333.4834 72094.7821 101614.6787 106759.9294 108075.0854 125399.7592 Promethazine Promethazine 2730.9618 1529.7047 2280.6033 3450.9274 3530.6496 1301.2610 1190.5760 2298.5223 1209.3473 894.8266 Propanoic acid_ 2-(1h-benzimidazol-2-ylthio)-_ 2-[(5-bromo-2-hydroxyphenyl)methylene]hydrazide 6869.5724 5171.2487 2898.4997 7007.3489 8484.6657 4346.4573 6902.4154 13915.2770 12597.2056 13806.9162 Propanoic acid_ 2-[[4-[2-[[(cyclohexylamino)carbonyl](4-cyclohexylbutyl)amino]ethyl]phenyl]thio]-2-methyl- 38278.5264 37156.1343 27457.7325 28502.1332 46838.6093 27605.9907 44736.3576 35901.9646 29469.1897 47704.5708 Pro-phe Pro-Phe 29689.9445 35091.6787 39421.8672 30310.4567 34491.3141 49253.6744 11809.1569 11866.0519 10047.2716 10552.8188 Proscillaridin a Proscillaridin A 7160.8731 5177.6257 5818.0433 6598.5676 5576.5563 8281.9720 4567.7993 5921.0431 4886.6012 5294.7026 Pro-ser Pro-Ser 9584.0078 11222.7639 11124.5860 10756.4908 15097.2079 7677.0289 7710.0553 8820.0679 9566.4043 9529.1808 Pro-Ser-Arg Pro-Ser-Arg 32972.1677 37078.4654 44200.4008 21898.5454 34590.2362 37906.7691 33603.4442 35768.5199 53159.1502 43984.2028 Prostaglandin e2 p-benzamidophenyl ester 8195.7412 7052.8382 8350.8941 4417.5255 4560.4681 9721.8089 27978.2382 15091.1933 8476.3331 8495.8996 Prostaglandin f1.alpha. alcohol 10818.5978 3961.1157 10353.9346 13877.3011 16010.4749 2640.9814 10556.7760 9654.0122 9946.4802 10164.8151 Pro-Thr Pro-Thr 612546.7291 642944.1415 543751.3608 590764.3042 668514.3022 1054936.8360 992471.2730 1247787.7980 1167830.8700 1315649.8690 Pro-Thr-Arg Pro-Thr-Arg 51925.3727 52271.7214 37931.9349 36369.1400 50894.8792 44022.1757 49570.3969 42262.6129 66500.0951 71363.3273 Pro-Thr-Lys Pro-Thr-Lys 21334.7076 22067.7050 17441.7472 22723.4172 23192.9660 17937.9797 23966.7297 19086.9045 22193.4186 18598.6417 Protoporphyrin ix Protoporphyrin 6290.2798 5420.5878 6455.1173 5951.8614 6325.1194 4436.3139 13158.0915 8764.8684 7343.7947 6218.8317 Pro-Trp Pro-Trp 5512483.2980 6184519.3900 6860420.3640 5586810.2330 6738930.8440 7175023.1830 7405461.2730 6347527.1330 5591652.8950 6275702.6820 Pro-Trp-Arg Pro-Trp-Arg 36099.7781 34356.0646 37107.7474 39260.2010 34853.7638 37169.8970 36453.7285 39968.2747 43242.8267 61157.2928 Pro-Tyr Pro-Tyr 4412.4139 3853.7978 1775.7899 2020.9554 4011.0332 3782.1465 5360.7811 2271.8929 1838.8458 2984.2349 PS(12:0e_6:0)+H PS O-12:0_6:0* 914195.9390 1042083.9630 2990317.1840 2040496.8660 10843549.3300 1077127.8660 3296325.7040 3248698.3730 1887501.1490 2432849.6010 PS(12:1e_6:0)+H PS O-12:1_6:0* 2653646.4080 1622332.4930 4107496.5120 2772423.6450 10051119.1900 3727658.7280 6553563.3550 6653219.1750 5095106.1350 3977736.9870 PS(16:0_16:1)+H PS 16:0_16:1 2492413.3470 622372.2159 1497948.7660 3792253.1190 1864527.9890 2471612.6410 375561.4242 3568762.2360 3087867.0390 749857.6298 PS(16:0_18:1)+Na PS 16:0_18:1 26633590.1100 18555635.7200 19914809.0500 13628626.1400 33509515.6900 26134139.3200 20934839.6800 37110940.3300 32710395.5600 21988052.9400 PS(16:0_20:3)+Na PS 16:0_20:3 55000139.7300 54792584.8000 42505801.0900 39776818.4500 57416427.6900 60748780.7300 69505243.7500 92291368.6600 85947737.0100 63216172.7800 PS(17:0_20:3)+Na PS 17:0_20:3 12848362.0100 15655359.6600 13816409.1200 12773551.0100 17803233.6200 16932971.5000 17903395.3600 32816331.1600 15204510.2800 14449467.3300 PS(18:0_18:1)+Na PS 18:0_18:1 74324788.6400 62246068.0700 52349388.6400 46839340.5900 81653843.4600 59555248.5400 69179595.2500 97649544.3800 71460437.5700 57280206.0600 PS(18:0_22:3)+Na PS 18:0_22:3 32387233.5400 5719559.1580 3372850.6370 6238083.2480 34745329.7400 11343542.5800 5525426.1650 13400656.8700 23084022.8900 4460746.8640 PS(18:0_24:0)+H PS 18:0_24:0 526095.5204 1421759.2230 1282841.4340 2219020.0650 1212967.6300 675280.6872 7291954.5970 3375694.3400 4632892.9010 286050.9699 PS(18:0e_18:0)+H PS O-18:0_18:0* 26988812.2900 9821114.5920 10812268.6200 7277504.0960 25406192.3100 3438791.3030 1299125.1060 4430007.4990 1761834.9010 586795.5114 PS(18:1_18:1)+Na PS 18:1/18:1 44140483.3600 38666155.7400 38996929.3800 26506157.2400 55859261.0100 40998345.3700 37629662.4300 55418515.0200 55068582.9500 38444307.7200 PS(18:1_20:2)+Na PS 18:1_20:2 47546038.6300 14318604.2400 11282111.8800 14086521.3600 40337564.4300 49923478.2900 36093607.5100 35970607.4200 42985790.9100 18660863.2100 PS(18:1_20:3)+Na PS 18:1_20:3 119669065.9000 98494112.0300 85293510.9500 78601063.8100 131590666.1000 89597398.9600 92340118.6700 141761434.8000 150862067.4000 91759787.7700 PS(18:1_24:0)+H PS 18:1_24:0 27854446.0600 18624069.0600 16319544.3400 22816883.7100 18079094.5600 4793325.5690 12978992.8200 15959414.2600 22072507.0300 7643881.6380 PS(38:2)+Na PS 38:2 19237528.5800 17213658.4200 11700177.2600 16381762.8900 17661847.7800 30452220.4500 37201745.8100 34330511.6100 44447402.8500 24027569.9400 PS(38:3e)+Na PS O-38:3 1367451.5530 1270155.7110 810337.7801 1134556.6890 1029707.2270 836362.5480 510227.5361 583425.5440 815020.1171 619511.2302 PS(40:2)+Na PS 40:2 17546698.2100 15324644.9400 12919823.1300 13991715.3900 18238794.9200 28765519.6400 41047477.9900 31575038.1300 47776131.6700 23610682.2500 PS(42:7)+Na PS 42:7 4253713.5780 6196658.5440 2082231.7990 3623042.0060 4062845.1780 16339041.1100 17724085.7600 16638967.8000 18393018.9300 12643397.4600 PS(44:7)+Na PS 44:7 1355805.1230 1976584.3010 1194503.3110 1011914.1600 730504.1002 6109563.1550 9350407.4990 2694662.6480 8455314.7390 5299051.6700 Psilocin 10526.3057 7009.9674 8542.0059 8092.0158 10647.0449 5754.5861 4635.9312 5778.2587 5477.7824 6594.3564 Psychosine Psychosine 3861.7817 5394.0973 4522.2041 3984.3569 3704.3513 3524.6814 5054.4892 5047.0542 7114.4787 5005.7288 Pteryxin 2052.9716 3020.7443 3106.0214 2004.6026 3254.3652 8074.6718 5038.4958 5101.4685 8829.6089 13905.7958 Pyridine Pyridine 537363.8071 584663.5156 453706.0952 621577.9736 438874.2075 434843.7654 597501.9394 580392.8479 295605.9061 377767.3977 Pyridoxine Pyridoxine 6906596.3640 6581079.9230 6385421.2750 7143534.1510 6278821.4310 3626057.7490 3386684.2600 4158589.7920 2523837.2470 4596233.3200 Pyripyropene a 5297.3598 3600.4648 2646.2338 4455.7754 4654.4103 4379.5297 9466.1975 6195.4896 4441.1332 7029.3272 Pyroglu-Arg-Arg 10681.6353 10727.1277 11656.5746 12780.3255 15101.0469 6880.8700 14456.5633 14274.3302 11530.4679 11441.3411 Pyroglu-Cys 248747.4489 194056.4654 109345.2175 278060.3110 187593.8480 19087.4733 11494.3967 14183.3602 17836.6264 27554.4549 Pyroglu-Cys-Arg 26043.8624 27692.0045 27035.0262 21948.2083 28176.1401 27257.4150 31881.7880 37563.8986 38850.8733 43371.6090 Pyroglu-Cys-Lys 33078.8209 21395.6736 22521.0402 16507.2942 20902.8427 22995.0711 30304.5843 28887.3810 32522.9262 43104.8909 Pyroglu-tyr 50759.7345 37154.7378 43943.2019 71105.8094 38885.9310 38401.6368 20338.3046 22054.1836 20112.9850 18872.7462 Pyroglu-val PyroGlu-Val 2312.3936 5151.0968 8877.2006 868.0425 2665.0496 5588.2412 11771.2900 7163.7735 6381.3209 9826.1313 Pyrrolidine Pyrrolidine 67935.8803 69906.7259 36192.5986 27323.9522 34614.4126 55463.3850 53959.3825 32791.0971 36137.5038 35616.1118 Quinapril 20204.1576 15641.9265 7780.9746 7622.7225 8223.4496 7566.5396 9738.4573 9023.6605 7921.4524 11386.5468 Quizalofop 7475.4309 8904.7623 7354.7523 6349.9758 9258.3535 6392.5021 6422.1560 8566.4559 9437.6394 12745.5126 (r)-(+)-arachidonyl-1^-hydroxy-2^-propylamide 172869.8123 179241.7845 179965.1341 129017.0510 207754.9047 108864.6442 225062.8013 218259.5927 124522.7462 140172.1008 Reserpine Reserpine 2936.2085 1636.9967 1699.0170 4023.3500 2142.7246 1320.6611 9699.9279 4578.6415 2927.2949 3528.0483 Resibufogenin Resibufogenin 53053.1053 60331.5299 62439.8457 48539.0638 61838.6926 55769.3907 54835.6564 57101.0668 59360.5299 59551.8255 Resveratrol dimer 1976.7186 1334.3571 846.2018 1075.5252 753.8843 4995.1120 13954.9104 4400.6514 2484.9772 3203.2685 Riboflavin Riboflavin 90765.7098 113678.0591 108664.9250 80218.6258 114978.0386 53384.3120 58464.8785 55556.0839 42167.4448 66206.4370 Rucaparib 3009.6704 5849.9353 5748.5000 544.9708 1084.1601 10528.7872 8336.0814 7156.9798 7265.2290 6610.0165 S-(2-boronoethyl)-l-cysteine 15665.9776 19377.5579 23596.8560 18765.8743 22593.1650 34581.2857 25008.7477 20930.7102 24120.3491 27017.5645 S-adenosyl-l-methionine S-Adenosylmethionine 626549.0520 351517.8714 468214.7312 730648.1698 417398.7401 414301.5806 414039.7214 453124.0413 643718.1249 614450.6561 S-Adenosylmethionine S-Adenosylmethionine 691091.8089 663843.1939 1772589.5770 685479.4292 1405587.2360 686644.7879 681773.6153 565664.2788 1834017.2710 1708087.9570 Salannin Salannin 3606.3138 3805.2902 3521.6604 4580.8999 4111.9542 2982.9989 8792.0652 6860.8646 11535.2784 7399.3703 Sarcosine Sarcosine 16416.5668 15851.8511 19565.5992 11162.6867 20003.9600 13727.4891 15281.6518 13075.0025 44687.0049 17011.7618 Schizandrin b 877.8699 946.1125 600.8175 1611.1468 1884.7710 646.8793 2557.8307 1897.1039 1998.9016 1040.0885 Sciadopitysin Sciadopitysin 5969.6548 3947.3878 5085.4227 4071.7510 3785.2140 5875.3468 3084.1248 5178.4885 8048.1420 11642.7977 Scytophycin b 3344.1659 2197.6108 2653.0579 2741.2852 1872.5405 2739.7076 6552.7367 1111.4692 2980.2459 3240.9897 Sebacic acid Sebacic acid 1937.6152 35428.4586 2083.2636 2002.6182 20675.3728 16452.9175 1100.8908 23719.6906 22612.0709 1580.2549 Secoisolariciresinol Secoisolariciresinol 3774.3036 5465.8271 4313.1006 3909.9773 5030.8389 11918.2052 6712.4683 5219.7862 6078.4753 6265.1846 Secoisolariciresinol diglucoside 9066.7454 5534.0832 7410.6032 7417.3661 7582.7032 6458.2107 13083.4298 8143.9611 7854.3263 5114.2555 Sepiapterin Sepiapterin 92847.5335 40713.1958 26698.2820 42466.0145 32988.8052 22339.0281 25782.4143 33423.1795 25410.1219 35748.9618 Ser-Arg Ser-Arg 19706.7342 11155.7689 21196.8091 11465.6250 12039.7490 31131.1586 50597.7846 54784.2118 66133.3004 19554.1036 Ser-Asn-Arg Ser-Asn-Arg 6364.0687 6878.6322 9022.1186 5878.8537 7154.6237 4594.7400 5387.4811 5558.6053 7315.7711 7688.0133 Ser-Glu Ser-Glu 99233.8131 103401.4167 99289.3681 83795.7045 99647.8318 104333.3711 101118.6501 109064.5405 112113.4060 110988.1144 Serotonin Serotonin 70299.4934 49578.4407 45887.6250 104193.7476 115979.9727 13829.5722 14665.4743 24690.8326 32306.6196 36718.6913 Ser-Pro-Lys Ser-Pro-Lys 13498.1351 17561.9587 16195.6023 10777.7729 15393.7637 20430.9458 12058.1043 14469.6857 11049.1717 21679.2202 Ser-Ser-Arg Ser-Ser-Arg 22763.9715 13047.5253 11748.7170 10325.5880 11472.5061 7902.1399 15780.4219 12441.0361 20158.2438 28448.6785 Ser-Thr Ser-Thr 1433.1684 1967.8430 3051.8290 7703.5680 365.0109 20665.8784 18832.2215 2877.5001 2418.7384 4921.7622 Sertraline carbamoyl glucuronide 6073.7594 5781.4286 5942.9431 5218.6193 5972.3400 4706.7899 3214.3096 5514.9407 3868.7952 7525.3904 Ser-Trp-Arg Ser-Trp-Arg 6225.7777 5926.8850 5703.7147 2966.4117 3094.5876 11295.8519 17750.5495 10800.9771 4758.1925 6532.7368 Siduron 8650806.2730 9347858.5550 9357722.7940 7966745.2560 8983604.5190 2402126.7900 2774757.8920 2961233.3690 2914443.9440 3300249.0260 Sildenafil Sildenafil 6134.7169 9026.7559 4987.9213 6707.1416 9549.5734 9555.6066 9567.1097 9318.3417 10757.6840 10334.3926 Silybin 69270.1469 86851.7308 86308.6686 63242.5712 90626.4704 66452.5722 54069.0008 58014.2133 60098.1266 73140.5786 Simmondsin 2^-ferulate 7688.0812 6985.1590 7769.7851 7468.9827 8491.2826 6643.2379 7164.3807 7885.7921 8951.0405 9209.2568 S-lactoylglutathione S-Lactoylglutathione 6816.7709 4807.1806 8806.9702 9846.5262 9058.0057 13607.1308 13191.8466 9456.9082 7855.1972 7822.9909 SM(d14:0_20:1)+H SM 14:0;O2/20:1 20474041.7900 99363867.4000 10124835.5600 37066255.4800 21686834.8200 15059075.9600 15076396.8200 43182587.6700 18736722.3400 15553022.8000 SM(d18:0_19:1)+H SM 18:0;O2/19:1* 52324855.4700 31644145.7300 26110190.7000 29769184.4400 31194005.5200 33984747.3700 32766573.6900 28867697.8100 37267356.5600 26282870.1000 SM(d18:1_21:0)+H SM 18:1;O2/21:0 5698384.0190 7986480.3720 5540064.5740 6255928.4440 5868016.7110 7206281.0930 8274133.0100 7508825.5700 9790130.0440 6855983.5370 SM(d18:1_22:3)+H SM 18:1;O2/22:3 4370491.2480 4832004.1430 4403429.3550 5090033.2350 4297626.4970 5915011.0790 19247852.1600 13871114.5300 10758843.7700 17958714.6400 SM(d18:1_22:4)+H SM 18:1;O2/22:4 34948261.6900 16833042.3800 24627901.2800 22275642.7000 40869914.7300 38440193.4000 38883257.9700 43562531.6000 48257963.5100 17970712.0400 SM(d18:1_24:2)+H SM 18:1;O2/24:2 299047581.5000 272391835.3000 263531945.6000 285204728.7000 251718036 557259505.7000 385911067 386974807.2000 652758812.1000 339363234.4000 SM(d18:2_24:2)+H SM 18:2;O2/24:2 750653988.3000 776813047.3000 664688365.4000 746679445.3000 827834886.6000 871675403.3000 1016925373 1113892256 1221574659 795329452.4000 SM(d19:0_24:5)+H SM 19:0;O2/24:5* 170184275.5000 184253058.4000 169600190.7000 237177405.9000 180857708.9000 206469997.5000 306972620.2000 282450647.6000 391916403 258417595.8000 SM(d20:0_22:1)+H SM 20:0;O2/22:1 74205190.6800 46315952.5900 82479626.8600 86417504.1400 78775651.6500 59620371 73973029.1700 68386682.4200 70144858.7300 59390372.7000 SM(d20:1_14:0)+H SM 20:1;O2/14:0 2392143.8990 10851813.1500 3163023.1900 10617904.7500 10643023.8100 10072037.9800 10517371.9700 11722957.9000 4805860.4030 8369416.8590 SM(d20:1_21:0)+H SM 20:1;O2/21:0 3450484.3780 1035828.0680 3176565.5900 3418275.5530 2448159.5840 2615606.5410 720862.9994 3075066.8870 3181276.1900 2418055.9160 SM(d20:1_24:2)+H SM 20:1;O2/24:2* 117012017.2000 135574077.9000 109537676.8000 123219461.1000 124603740.4000 77837796.6700 81574977.6700 136085534.1000 114057214 71559958.4000 SM(d20:1_24:3)+H SM 20:1;O2/24:3 2229007391 2521329377 2344273138 2516977048 2692264371 2618408639 2912015656 3060905032 3180900214 2471321347 SM(d30:0)+H SM 30:0;O2 1586079.5960 1334990.0440 1209535.3430 1158152.0860 1434316.1420 1495184.9310 1305018.2710 1394930.6260 1614992.0920 702582.5564 SM(d32:4)+H SM 32:4;O2 4376059.7000 2618203.4380 2453261.5240 3976131.2980 4009377.1800 3439762.5650 3976091.6270 3092348.2100 4640227.6310 1939247.6170 SM(d33:1)+H SM 33:1;O2 4151499102 96390197.6300 4769129822 3486553190 4519594958 4227943177 4504314986 5728653695 126484272.4000 118902991.2000 SM(d34:1)+H SM 34:1;O2 34005002.8500 201171245.3000 211021349.1000 36672916.6200 81123742.5200 44893790.4300 273290199.1000 47200916 141957406.6000 293311930.8000 SM(d34:3)+H SM 34:3;O2 19594347.8500 19246325.9700 17548376.4600 23187918.6600 22102069.2100 10845008.1000 9536141.8000 12992946.1900 18592475.0700 6997553.8300 SM(d34:4)+H SM 34:4;O2 510547753 496193139.2000 349689814.2000 480402725.5000 561083786.5000 484173575.8000 643303883.4000 552395658.6000 789240685.6000 386757623.8000 SM(d34:5)+H SM 34:5;O2 7399078.6500 6838492.9950 6024440.2830 5508606.8260 8337126.6990 8243583.1590 8765615.7940 8168294.3830 9109258.0830 5065813.4950 SM(d35:4)+H SM 35:4;O2 364319394.5000 340858932 298124908.8000 357950083.3000 405988092.4000 374598431.7000 366998305 518771203.6000 540181899.4000 308418694 SM(d35:5)+H SM 35:5;O2 3826396.0890 2999827.9120 2242481.2790 3100724.6000 4010596.7280 5212254.7970 7969538.8470 6790571.9130 8118161.7890 3827265.3010 SM(d36:1)+H SM 36:1;O2 32569572.3400 11618267.3800 21570829.7600 32634469.2400 33460741.6800 30569721.1800 23424678.7900 14067111.7000 2796022.3670 30494432.3900 SM(d36:3)+H SM 36:3;O2 207640.7107 2657006.5610 2367513.8460 2223489.6250 1755558.3260 200910.9932 89022746.9900 372931.2128 1318340.8100 1118582.9080 SM(d36:4)+H SM 36:4;O2 401647836.8000 417904141.8000 359831900 497691933.9000 441203484 430470946.9000 478785275.9000 561377096.1000 604860182.7000 447594896.9000 SM(d36:5)+H SM 36:5;O2 572067913.3000 571827902 427735312.8000 528377714.7000 604104404.1000 545248527.5000 630990077.2000 787316547.1000 869944114.8000 550345902.8000 SM(d37:6)+H SM 37:6;O2 9010482.7900 9378494.3640 8869374.9870 9094835.5660 10375063.2900 10454841.3000 6824840.5000 11039707.5400 8760528.7130 7858316.5940 SM(d38:1)+H SM 38:1;O2 38575688.6900 20410291.4500 7311969.0640 26249089.7200 75379862.2800 29389648.3200 11217999.4400 28785464.3100 49101349.4900 29950702.5900 SM(d40:1)+H SM 40:1;O2 307145682.6000 341264060.5000 312026717.2000 292896039.6000 296721030.2000 377515607.9000 330817748.4000 395659275 507429800.9000 346562922.9000 SM(d41:1)+H SM 41:1;O2 30662755.2300 25798678.0500 17430744.5900 14157813.2800 40172903.3800 26578790.6800 14015245.1600 20202726.6700 26351453.2600 15028865.2700 SM(d41:3)+H SM 41:3;O2 42471196.0100 70809636.7500 39576153.0400 41878024.9600 43222237.4800 81968030.0900 92008084.5600 72548099.5000 85490571.1700 58380630.0600 SM(d42:1)+H SM 42:1;O2 65375467.2200 108925301.1000 96523067.2500 79786606.1100 82294123.2800 70256955.1800 62681622.9800 89188008.5900 68293787.4700 53696285.5400 SM(d42:2)+H SM 42:2;O2 249642351.8000 512776797.1000 425219114.9000 460660999.6000 453811283.9000 502421517.8000 454571929.8000 353565928.3000 605594338.8000 391455670.2000 SM(d42:3)+H SM 42:3;O2 6194595.2070 4720164.6080 8058764.0460 2465984.2150 1990168.1810 6877152.0170 11046425.1300 10242921.2800 22223157.0400 10882157.8300 SM(d42:5)+H SM 42:5;O2 57058694.7700 55904732.7600 48926957.1000 58089590.4200 69285169.6900 102698689 90400712.9500 124708590.7000 127344842.7000 76453302.0100 SM(d43:2)+H SM 43:2;O2 774027512.5000 1087424390 752611182.6000 764243599.7000 748246432.3000 815216508.8000 812745717 805215387 1030678221 970935671.1000 SM(d43:3)+H SM 43:3;O2 18435218.2900 8991004.4810 15673568.9400 13982465.2200 17536278.5400 22155979.8700 13899350.8100 18821790.3200 19879070.2500 11441666.3600 SM(d43:4)+H SM 43:4;O2 756455320 922035135.8000 756184253.9000 839890519 830944569.6000 748971122.5000 732513918 820036492.7000 971077745.1000 568335344.4000 SM(d44:2)+H SM 44:2;O2 6960679.9730 40287929.2600 26378214.2900 59307117.9800 8462240.7490 9749600.0700 11404126.2100 7355677.1430 16668228.0200 1169827.0610 SM(d44:4)+H SM 44:4;O2 18779459.4900 22964662.5400 23364715.4700 19315762.9400 19224838.0300 32212127.5700 36116338.5100 21459767.7700 49133342.5000 32573668.5500 SM(d44:5)+H SM 44:5;O2 996042471.7000 1058167845 808840045 1040112835 1105802792 1377850156 1553979272 1774224776 1482247689 1294604722 SM(d44:6)+H SM 44:6;O2 119317178 118679275.4000 100692876 68000495.6200 130708650.3000 224578795.6000 218836063 151730385.3000 287511359.6000 192168002 S-methyl-5^-thioadenosine 5'-Methylthioadenosine 5659516.3600 9228836.0690 8722564.2500 9029679.0320 6704697.7020 11882637.8900 9094992.0900 9646636.5900 8243286.5350 10575108.6500 SM(t18:0_20:0)+H SM 18:0;O3/20:0* 275347945.1000 264073876.3000 246843625.8000 244357844.5000 261828490.4000 199508058 175715626.1000 231568837.9000 250490427.3000 146673137.6000 SM(t32:0)+H SM 32:0;O3 1888198.1760 2587411.3400 1114011.3970 2999679.6030 3032089.4130 3738790.6560 1804778.2370 3249422.0640 3497784.3390 2332441.6830 SM(t33:2)+H SM 33:2;O3 6392831.5290 473821.9275 565587.3154 271111.9023 1728768.5430 3161725.5850 1899785.2160 2650233.6780 3319600.9620 1512649.6620 SM(t34:0)+H SM 34:0;O3 456046831.6000 333050861.6000 481089874.1000 278712888.1000 329670027.9000 418668039.6000 354398388.2000 464542477.3000 525393177.1000 321039069.3000 SM(t35:1)+H SM 35:1;O3* 42994411.0500 47269915.6600 42380715.0500 44780554.9800 40303204.3200 56998798.4500 47080487.7400 53241833.1600 62957482.8400 41317439.8500 SM(t36:0)+H SM 36:0;O3 1194418601 1183207073 1140425257 1137330884 1223245569 1202379345 1091183003 1270711756 1438689280 901409027.2000 SM(t36:1)+H SM 36:1;O3 7485768.0590 8818009.0060 5369153.1690 7216837.0870 8752848.7620 6787096.3560 3666552.8110 6148528.2710 6064074.6340 4775060.0120 SM(t36:4)+H SM 36:4;O3 7625946.5030 6296900.4520 5892178.4020 5909855.1880 8115547.1370 7893277.1240 13304201.9700 10947351.8300 13953725.6500 5848532.4230 SM(t36:5)+H SM 36:5;O3 16819145 12802525.1200 10106773.2800 12614779.7400 14757342.3000 18108886.3400 33648332.0700 25037163.5700 27110717.4200 14339882.6500 SM(t37:0)+H SM 37:0;O3* 20964919.3700 27845100.4500 26042131.7200 28349838.4300 24797271.6100 23664775.5800 15058569.4400 18962366.2700 25306805.3900 16626178.4300 SM(t38:1)+H SM 38:1;O3 5578766730 5466288200 4931208597 4997189251 5287876919 4298530676 3711177381 4761918622 5315919237 3116928581 SM(t38:2)+H SM 38:2;O3 6475566750 7274158780 7068861364 6987680381 6984947527 5849616238 6178133853 6884164021 7982232170 5099525464 SM(t40:2)+H SM 40:2;O3 1538547.7620 4571826.2390 4098895.6840 3029565.6780 1125053.4710 2826956.9110 4037897.6050 2464998.1120 6947251.0330 914478.4813 SM(t40:3)+H SM 40:3;O3 435479048.5000 443901477.5000 438671638.2000 424273685 485969814.3000 286117235.8000 212055168.7000 306015765.2000 330769926.6000 203554962.2000 SM(t40:6)+H SM 40:6;O3 4816484.5920 54506233.1400 32665720.7100 8134376.3010 23332280.1000 37483212.9300 65586761.7900 47555173.9200 10116200.3200 17182910.4300 SM(t41:5)+H SM 41:5;O3* 15596214.8700 9145255.8840 14389161.9100 13130133.2400 18976217.4700 19313326.4400 14615204.2900 20951768.6900 17705662.1200 6229432.2300 SM(t41:6)+H SM 41:6;O3* 81762306.3500 84640167.3500 77383811.5100 72114471.5800 84753211.3200 85253330.2500 70370544.4500 92726828.3700 106051426.9000 63752265.2600 SM(t42:5)+H SM 42:5;O3 381816046 564356300.5000 524241739 536605024.8000 600825684.8000 343127996.2000 345740336.1000 615794306.1000 499939677.5000 262370578.5000 SM(t42:6)+H SM 42:6;O3 120251487.7000 106141874.7000 101769431.9000 104160128.6000 111457274.3000 105905784.2000 96204547.5700 102694708 144746982.2000 75839967.4700 SM(t42:7)+H SM 42:7;O3* 5680912.5760 6322341.0520 4364613.9950 4691788.9460 5481451.7630 6365015.1520 6919790.0660 7462069.8050 7076337.2270 6867784.3320 Sn-glycerol-3-phosphoethanolamine 547520.5419 541092.1950 551220.1041 556434.6375 605939.1022 409963.9003 443423.7409 509728.7036 523679.9396 573825.0118 Solasodine base + 2h_ 2o_ 1acetyl_ o-hex-hex-hex-pen 4472.9806 2312.0711 2527.9576 2862.5488 3683.1484 1661.5999 5326.3540 3300.0432 5609.8874 2864.5616 Spermidine Spermidine 17009.9936 23549.2474 21145.4762 33100.3982 21753.4473 24482.2463 23890.7128 20201.3346 18761.3481 21003.2243 SPH(d14:1)+H 6085793.9920 5944521.9090 2419920.6630 3222476.5090 5513935.7320 7732722.5270 5957526.4400 9004509.9740 5577719.3970 2176465.7040 SPH(d15:0)+H 17748105.7700 10729974.5100 9268361.1320 12056782.6400 9337056.2640 12010202.1800 16154050.3600 12598491.7200 14033602.2300 10878077.0200 SPH(d15:1)+H 1603043.7750 1710014.1790 139692.6000 1686066.2020 1642430.1650 182120.5539 140509.5260 1989194.6880 131611.7615 334516.0957 SPH(d16:0)+H 19869762323 16308590548 14889109717 12005382170 14498227807 19086551337 20783358720 20697008944 16549326514 15601477892 SPH(d16:1)+H 253113770.8000 198993874 193144542 183714486.1000 201124718.1000 232487822.8000 248436796.6000 237615431 193189842.2000 160543332 SPH(d16:2)+H 6788092.0810 4678873.5630 5968682.9580 4558921.0830 5726702.6510 4042164.8430 8536991.8750 9540313.3300 3850211.4380 7438586.0570 SPH(d17:0)+H 503442591.1000 585491808.7000 169523471.1000 396824190.1000 394353378.1000 658115102.9000 545930397.2000 218616127.2000 651449527.1000 482193031.8000 SPH(d17:1)+H 35610648.8000 24543743.6300 29981696.6400 39362699.1200 34314782.2400 34783147.0300 38426732.8900 25044352.4500 37264006.8100 24741739.6800 SPH(d18:0)+H 62964688.6000 101358756.7000 48244706.4100 83724023.0300 319183724.3000 66660936.1400 35926095.3900 159280500.5000 367778070.3000 249997722.9000 SPH(d18:1)+H 450485329.7000 607272131 413556715.7000 403396721.7000 404221667.8000 457216599.2000 428638239.9000 412933198.9000 493321487.9000 378176533.8000 SPH(d18:1)+H-H2O 31916189.9400 29655265.8300 28867837.2700 32149694.3300 29102544.9400 46253491.0800 43603832.5500 47030713.4100 55518141.9400 40052110.4000 SPH(d18:2)+H 132910809.2000 140005478.9000 126222571.9000 97768034.4600 144312733.4000 144697768.5000 147005973.8000 147329083.4000 106430071.9000 105491245.2000 SPH(d18:2)+H-H2O 15019454.5200 15513970.2000 17031012.0800 13530426.8800 17343325.9800 11593908.4000 14971582.5500 13406851.0900 14977901.6700 17168177.1900 SPH(d19:0)+H 183049696.4000 531192440 130442244.4000 242943812.8000 199618628.5000 361918451.4000 405652087 164447481.4000 324174573.3000 233332584.1000 SPH(d19:0)+H-H2O 4090572.6890 3305519.6340 2759409.4690 2920958.6840 3647974.6000 3929392.5700 4444342.1400 4248480.7430 4547056.1240 3804698.7630 SPH(d20:0)+H 3757765070 3657673196 3324353059 2209998869 2571025511 3805236591 4089491846 4026176150 2970927695 3146595745 SPH(d20:1)+H 26268917.8700 22223389.9600 21321730.8900 19837645.7900 18530066.5700 18762100.9900 25221262.1200 22047130.8600 20070057.4700 18810570.6600 SPH(d22:0)+H 1016596375 445210534.1000 699895682.2000 662569867.7000 421130516.9000 556652354.6000 1005300301 740926717.9000 1007864688 765559878.3000 SPH(d22:1)+H 1063456857 1350141656 1452384562 1907847689 840304700.8000 1276200222 1886667568 1193963891 1347151789 1230324207 SPH(d22:2)+H 101585857.4000 78484931.4400 86616483.4800 79915256.3800 61989522.9100 88945540.0400 112228292.2000 108549987.5000 91996446.4700 84980130.2600 Sphingomyelin (d18:1/18:0) SM 18:1;O2/18:0 809.4963 3102.4746 2240.8405 419.5719 6433.1080 1775.0523 4680.8164 2707.1171 3878.8464 1783.0892 Sphingosine Sphingosine 221141.6804 224342.3527 237845.9836 195502.4758 274600.3956 211432.9242 307563.4507 231640.9308 255954.5824 219875.8846 SPH(m17:0)+H 64882480.0900 70309912.7900 29941628.2800 53763460.1700 50741965.6500 121123374.1000 76866560.5400 48222524.3800 66969941.6000 49340030.3600 SPH(m17:1)+H 2710421.2330 3372123.4570 2091276.7670 2562887.1860 2180338.0930 4056712.5350 3370082.7920 2834140.7220 5133416.1140 2706493.2650 SPH(m17:1)+H-H2O 20307492.3100 22720942.9200 21123955.6400 21966199.7600 20010605.6100 18536028.7600 21836633.6400 21347111.5400 20617992.0400 15910238.4800 SPH(m18:0)+H 81623943.1200 83277891.7800 85231000.9800 74797960.1400 53375973.6800 75243416.2100 94943840.7200 76080229.2000 69376963.4900 73014947.3400 SPH(m19:0)+H 9944925.9730 7347215.0930 10134149.3600 8009896.3790 6956704.0530 9458191.2420 9565573.8910 9784405.3170 7612493.1840 7675112.3050 SPH(m19:1)+H 3957070.3680 3265877.2900 2736662.8090 2876836.3870 3512127.7820 3993435.7710 4400498.8240 3829047.4510 4366319.7810 3778581.5990 SPH(m20:0)+H 30235573.8600 16754828.1700 19683266.9800 21771263.1500 15979895.5800 22151775.0200 26937018.4000 20377026.9800 29184139.2200 24938210.5700 SPH(m20:1)+H 45700906.4900 15406291.9800 17895910.9000 44283454.2600 26181012.1400 29056348.2100 57408385.0800 19651027.5600 54292551.0900 46720761.4600 SPH(m21:0)+H 3848371.5350 1665950.9090 2899708.7760 2773598.7910 1500058.1640 1731634.6710 3702386.2110 2574824.5810 4526248.0930 3530707.5610 SPHP(d16:0)+H-H2O 10232753.8800 14964248.2200 9431756.5740 13951165.6000 15745323.8800 15804921.9000 23375328.9000 10132974.4100 13096657.5900 5940001.6290 SPHP(d16:1)+H-H2O 3550332.7080 4144103.5550 3975337.7310 5260555.2960 6616648.9670 5203566.3600 12441996.1900 5379497.0730 4496950.7280 4517235.3570 SPHP(d20:1)+H-H2O 43458074.5500 39308395.0700 35762868.3300 34763039.4500 45598881.9600 54747699.2400 48459310.7500 49594668.2400 66045622.7300 38825863.5900 SPH(t16:0)+H 696164953.7000 203196015.9000 127634292.3000 139299122.4000 202582979.5000 371455266 439176793.1000 360595817.5000 292147624.2000 259385071.4000 SPH(t16:1)+H-H2O 3479692.5020 10063687.4400 4059201.3790 15005808.8400 2627576.8540 4016635.8990 15955250.0400 4573657.9560 3943520.3460 3218216.2800 SPH(t17:0)+H 34319050.1000 32018978.2800 9620231.5860 24871983.5700 24148040.8400 117114646.4000 47575246 12294883.1300 46636485.3700 36761464.7300 SPH(t17:1)+H 6124681.0710 4927674.3960 3986314.1930 2789930.8960 3508646.4340 4710657.9820 6155898.5960 4861936.6520 4829971.3790 4230536.8260 SPH(t18:0)+H 5998991381 5128569848 4231748478 3757222334 4354449182 5974185034 6999723686 7184120453 4414135694 4434843679 SPH(t18:0)+H-H2O 9204978.6090 9141910.5750 9220876.3370 6581528.6070 8726460.2210 22556474.0300 12717720.0300 11826725.6900 25782484.4500 21672180.5600 SPH(t18:1)+H 13143080.7100 11925899.5300 14439981.5700 11737864.6300 15604954.2200 14544667.4800 22268448.2700 14212986.9400 12524933.4900 14744615.4200 SPH(t18:1)+H-H2O 5729533.7060 1348765.9520 2700243.3320 3186182.1730 3449451.2960 7917683.6750 4335809.4090 2793170.7980 6408694.4720 6392657.1180 SPH(t20:0)+H 99062282.1900 31840377.7200 19586533.9200 8861754.9190 42903409.7900 66678534.5200 32301313.5500 44902506.2500 23047951.6200 33734492.5300 Spiramycin 1652.9495 3098.9645 1823.8823 1068.8779 6613.9817 1328.4233 3344.2724 1510.3405 2129.1574 2422.0735 Spirotetramat 5450.7700 14545.7511 17008.0372 23693.6571 22482.8445 13958.8156 47223.7944 32463.1763 36528.4914 25116.7076 Stachybocin c 2441.1635 4763.3639 2631.4252 1958.0009 5170.3002 2900.1018 5492.2818 2782.8277 8895.9107 3552.3207 Stachydrine Stachydrine 429874.9283 476535.9862 501944.8354 425589.5102 499314.5526 486469.6900 565245.3902 611861.8795 627846.3394 686357.1597 ST(d18:1_24:6)+H-H2O 13337568.2900 14199965.7900 11137014.6600 8874008.9600 14726816.8300 8112702.5630 16753665.9600 16405688.3000 13450346.1700 9457716.5060 ST(d18:2_26:6)+H-H2O 95904745.4900 100160828.9000 71880014.6800 60254321.5600 111898446.5000 128436791.4000 126786878.7000 165872090.1000 150227141 120111046.8000 ST(d34:2+O)+Na SHexCer 34:2;O3 5676255.3200 5159892.1370 3573572.3800 4997081.9790 6616230.1170 9656844.1670 12201427.8800 11688649.2500 17592335.7700 8064146.4730 StE(24:7)+H 2621547509 2569793491 2488113890 2340261274 2712374084 2184111279 1907298382 2561500949 2829717704 1712494000 StE(33:6)+NH4 8382930.2580 9463032.3260 8425151.5530 4975292.5800 24020160.7500 12586650.1700 7827027.8580 11237875.4300 13237382.9200 9481582.6550 Stearamide Stearamide 23378.5293 24926.1732 41853.8143 23875.3064 38550.0337 30227.7223 61225.2400 41175.2386 39195.5818 29008.8542 Stearidonic Acid Stearidonic acid 109168.8682 88762.9263 92732.2965 153117.3992 73613.1761 73286.6230 85253.5258 80535.2449 98940.4295 104434.3250 Stevioside 5350.7181 10681.7217 8082.3157 7134.4398 6778.2323 5054.3745 5332.1231 6106.1465 5270.1908 5382.8258 ST(m18:1_24:6)+H 50308167.7900 43103903.3500 19963341.1600 13663332.1000 54856448.4200 65193558.2600 27740942.5800 76462103.8700 41826682.3400 41610782.0100 ST(m19:1_21:3)+Na 9006549.0560 30395620.1700 24909665.6100 5613215.6630 10573504.4300 6959183.4610 31373316.2400 24653250.2600 15554393.3300 40286462.3800 ST(m43:5)+Na SHexCer 43:5;O* 40903469.4100 24039607.8900 20559092.4800 12465478.2100 41684530.1800 30283515.3900 11125552.3000 22431372.3300 23898418.8000 20724880.7100 Streptomycin a 31023.5548 32078.2976 15759.5214 29319.1118 24106.1897 29736.1921 42784.7391 40286.3425 39201.7496 32871.2729 ST(t16:0_18:2)+Na 5646619.5420 5178221.9380 3592533.7750 4772799.6850 6595243.9540 9593660.3790 12260824.0600 11678759.3800 17619109.1000 7978515.9550 ST(t16:0_20:2)+Na 7744919.2770 8232967.3530 8008850.8370 11000869.1300 10475301.3700 10123563.4700 6513559.7930 15604790.6800 17837502.5800 8188382.9370 ST(t16:0_20:3)+Na 4860348.2970 5386459.4440 4017418.6650 4352039.2600 5453398.7110 11236776.4000 13068250.8700 15393538.0600 17157613.0400 9951986.8130 Sulcotrione 1764.7055 3530.6730 4177.6491 327.4229 508.2719 9077.3065 3548.8925 2569.0397 2859.2662 1928.7072 Sulfallate 34964.8486 44169.2289 39316.8417 12533.3162 31488.1842 58726.8851 81901.2970 65790.5798 66739.9120 84755.5720 Sulfuretin 7442.5071 7615.5640 7300.5171 774.0031 71940.2475 5588.0261 9514.8355 8806.4942 8474.7896 9903.9010 Sulindac Sulindac 25616.0162 27201.0507 27410.2962 29954.9154 28347.0961 19698.4065 13356.6261 29570.6538 17215.1545 27001.5556 Sungucine 3386.9354 5547.7357 4473.7570 5584.7159 1169.5620 10264.0478 21342.1525 14995.3226 4033.8620 5186.8778 Surfactin b 1341.8316 6476.8108 5738.3506 2716.6989 2401.5928 2553.0131 2190.3711 2103.4749 3364.6728 2979.0489 Synephrine Synephrine 7931.9006 11161.4037 15256.4730 7960.7834 7997.7570 18849.5214 13579.6472 7966.8547 9368.5287 8754.9461 Syrosingopine 1115.8352 2746.5930 2621.7309 479.2999 449.5602 3627.9502 2656.5343 2591.4985 2503.9556 2578.0576 Tamoxifen 3608.1914 4185.6581 2251.1099 3630.5771 4330.4983 3670.5668 5681.3316 6285.3371 7725.1042 4945.5366 .tau.-fluvalinate 8080.3376 8544.1389 10390.1336 9137.7091 9354.2425 10078.9779 8661.5459 9757.6251 9585.0790 10035.1295 Tauroursodeoxycholic acid Tauroursodeoxycholic acid 6660.2827 4042.8061 6322.8188 5047.5029 2270.9828 11031.5610 22061.6075 6844.9536 5622.3782 10561.7806 Testosterone cypionate Testosterone cypionate 5199.3070 4906.9035 38462.2942 3813.3409 69370.5437 41223.4747 5438.5994 38896.3841 81549.5734 5736.7525 Tetracycline Tetracycline 23454.0941 25200.8053 29464.8810 16254.0222 22162.8576 29031.3568 35603.5913 39024.9514 41324.0924 45275.2173 Tetradecylamine Tetradecylamine 34277.2370 28957.5924 38060.0082 21961.3503 23474.4977 29613.0319 37426.7044 45005.1826 15003.7376 28999.4404 Tetraethylene glycol Tetraethylene glycol 267896.0837 223228.2089 241601.3092 213700.2161 316787.4930 188207.3736 183374.1756 225370.7450 226730.9853 231981.1769 Tetraethylene glycol monomethyl ether 31051.1855 33473.5113 24555.9000 45090.3711 32131.7833 32902.2771 35078.5161 44022.4830 43352.5084 29525.4211 Tetrahydrocurcumin Tetrahydrocurcumin 25731.7836 35975.1186 11002.2320 23878.1639 18548.2288 22724.7220 36181.5637 27814.4765 23500.2190 18298.7030 Tetrahydrofolate THF 13917.2368 15626.1061 15105.6234 9602.2846 17764.3188 10943.1378 11047.8157 12514.9459 12498.8057 20027.7562 Tetramethrin 4845.7596 6951.0875 5890.6477 4555.8473 7061.6380 1410.6416 2635.2048 4997.9040 2606.1453 5738.0016 Tetrandrine 10193.3558 34356.6879 34840.2173 2136.0110 2253.4226 47371.2254 31655.0406 29713.0570 30325.0836 29823.6264 TG(10:0_11:2_11:2)+H TG 10:0_11:2_11:2* 75123528.6500 70234048.2700 63534612.1100 73127356.3000 80693314.5400 86195170.3100 101919879.3000 109463137.4000 116715792.5000 92425078.8000 TG(10:0_12:0_14:0)+NH4 TG 10:0_12:0_14:0 1082583.1940 423284.7960 2216204.1410 507611.6509 318032.8899 1641401.4130 729576.3327 1722361.1500 1408380.9730 1440995.2580 TG(10:0_12:0_18:1)+NH4 TG 10:0_12:0_18:1 7005250.6620 5190680.1340 6959950.1200 7696126.1960 6139724.6880 6206757.7200 4119443.1540 3797652.8050 4715747.0030 3440368.9250 TG(10:0_18:1_18:2)+NH4 TG 10:0_18:1_18:2 41675902.9900 33908091.4800 37429766.1400 37412871.5600 30342883.8700 71368678.1800 47432184.4600 58730825.6300 64654422.0600 47054747.7000 TG(10:0_18:2_18:2)+NH4 TG 10:0_18:2_18:2 4245712.8190 3050107.7720 2245766.4270 2289913.4310 3577150.6470 4698023.7990 4135617.1890 5572456.5930 5251266.0480 3269230.6830 TG(11:0_10:3_10:4)+NH4 TG 10:3_10:4_11:0* 5095677.0430 9638648.4570 5137841.5310 7330301.4560 3510769.9280 5331469.3030 14476352.5400 6242396.1630 2346436.4910 9126105.3730 TG(12:0_12:0_12:0)+NH4 TG 12:0/12:0/12:0 880437.0339 694237.1232 961161.8313 542937.0362 525706.4836 570229.0802 1215226.4590 496248.4761 1534415.9180 968432.7707 TG(12:0_12:0_14:0)+NH4 TG 12:0_12:0_14:0 1834070.6390 279700.4214 597455.6668 543409.3322 3726359.7450 2663558.0300 199608.8114 580579.5084 54602841.3500 1027661.0020 TG(12:0_12:0_18:2)+NH4 TG 12:0_12:0_18:2 4778839.3670 11373575.1800 7912899.9440 10596783.1600 9984253.5360 12894163.5700 6960852.1110 13950340.8100 18818017.2400 11364378.2000 TG(12:0_14:0_14:0)+NH4 TG 12:0_14:0_14:0 6327779.6000 5373682.3150 9940312.6500 14423051.4500 11828064.6800 7481960.8830 2978341.7160 13002354.6100 14073401.8000 6430295.0480 TG(12:0_14:0_18:2)+NH4 TG 12:0_14:0_18:2 50529296.2700 52520394.4800 45589952.0800 47237366.4900 42836550.1200 81689436.1300 54174035.1100 70190261.1200 90685007.6800 60571592.4300 TG(12:0e_16:0_22:1)+Na TG O-12:0_16:0_22:1* 6984323.2320 12182653.2900 9171010.5880 11907467.6700 10361386.8900 15989321.3400 10811399.2100 9019403.9820 18420225.1500 12477852.1400 TG(12:0e_18:1_22:1)+Na TG O-12:0_18:1_22:1* 22386736.2700 9287041.3670 4230592.7610 5932978.0960 10364831.3200 15069607.7700 4583367.6010 6929902.5000 7008408.8140 7748239.5200 TG(12:0e_18:2_20:5)+Na TG O-12:0_18:2_20:5* 10595361.3900 14588004.0300 14104213.1400 13936529.7300 13626601.5500 6990334.6380 10004284.4200 10224320.9400 10120343.3800 8923860.4430 TG(12:0e_18:2_22:5)+Na TG O-12:0_18:2_22:5* 6512183.9620 8261146.5840 6484579.2960 8434006.7540 6824295.9540 5768506.4830 6891027.8580 6302634.3710 8057454.0640 5779290.0550 TG(12:0e_20:3_22:5)+Na TG O-12:0_20:3_22:5* 13483039.0700 13457188.8100 12362330.5600 15395923.5200 13380550.8300 18929274.3800 15900549.0400 24858039.5200 19853156.5600 16587131.2600 TG(12:0e_20:3_22:6)+Na TG O-12:0_20:3_22:6* 16801131.6700 20154224.7400 17156806.9100 18858177.7300 17290507.7500 28344781.1100 20667792.6400 22927113.8400 24494363.1100 20075176.2500 TG(12:0e_20:5_20:5)+H TG O-12:0_20:5_20:5* 10591375.5500 14587137.4800 14108019.3200 13937431.9600 13639063.1600 6902719.4510 10002642.6400 10220559.0100 10123502.1900 8924469.1300 TG(12:0e_22:3_22:5)+Na TG O-12:0_22:3_22:5* 43260857.4400 47185906.2400 53716455.0600 51666071.3200 47979348.3100 52297648.0700 70914232.9600 84351025.7400 71391662.0400 67615153.5000 TG(12:0e_22:5_22:5)+H TG O-12:0_22:5_22:5* 17428562.3900 16361288.1000 17281345.1800 16909377.6600 17798116.1600 20004802.5000 15602887.4000 19499310.3000 19242203.8500 17310091.8800 TG(12:0e_6:0_20:4)+H TG O-12:0_6:0_20:4 31302467.0400 29032536.0800 28751443.5400 36203390.4600 28554223.6900 30667661.5500 33409228.1600 30576075.8400 40786837.0600 30939404.4900 TG(12:0e_6:0_22:6)+H TG O-12:0_6:0_22:6* 4796076.7510 7082360.3210 5188519.0780 6956469.3620 6602501.7770 8774588.5950 8300088.8570 10332334.9900 11599192.6500 9136897.5310 TG(12:0e_8:0_12:0)+Na TG O-12:0_8:0_12:0* 8115385.1210 19341931.1400 10596553.7200 9760095.1590 17503791.1800 14441218.7800 25694825.5900 37286356.7400 13176890.8800 19307690.6700 TG(12:0e_8:0_22:5)+NH4 TG O-12:0_8:0_22:5* 33917910.7000 2542305.8870 1736773.9360 302043.1963 4426235.3470 6926191.7310 12451150.1000 6020561.3430 12613856.8200 2185747.5980 TG(12:1e_16:1_21:1)+NH4 TG O-12:1_16:1_21:1* 6020008.0100 5218979.4630 4178398.5540 4698013.1020 5618577.6120 9463713.7520 5306807.2610 11144696.2000 9308462.3710 6008961.8450 TG(12:1e_18:1_18:1)+NH4 TG O-12:1_18:1_18:1* 9748303.9000 11851479.1200 11353735.3200 11084301.0900 8702062.0470 12673710.0600 13804426.8100 16639078.5400 15684222.7700 12397753.8600 TG(12:1e_20:3_22:3)+Na TG O-12:1_20:3_22:3* 17471735.6400 18668039.5700 17033264.9900 16903533.7600 17807666.4800 20014689.0900 15584862.7100 19488039.9700 19245495.2700 17308288.3900 TG(12:1e_20:5_22:5)+H TG O-12:1_20:5_22:5* 18049866.9900 24607026.8700 22903128.5800 26967435.1800 22063845.0100 25585493.7600 22586950.4900 28207414.3500 26137867.9600 23987072.7400 TG(12:1e_22:5_22:5)+H TG O-12:1_22:5_22:5* 27717334.9700 35896629.3400 34733717.5000 35418023.1600 33455079.4100 33544396.8500 42106692.9400 44352130.7200 45896518.2400 38805946.4400 TG(12:1e_22:5_22:6)+H TG O-12:1_22:5_22:6* 15438872.9100 16841313.6600 16272816.8400 16902785.0800 16322528.6900 24330244.2700 19241796.9000 23212445.9500 22361470.5100 19324269.7000 TG(12:1e_6:0_18:1)+H TG O-12:1_6:0_18:1 11211309.0300 10952907.1100 11093106.0900 13605073.8000 10897485 7506119.7500 9181751.5970 10983253.0300 10040725.3700 7442325.8940 TG(12:1e_6:0_20:3)+H TG O-12:1_6:0_20:3* 40225107.3900 54911881.8300 40680857.3500 50579840.3700 46711825.1100 32039876.8900 35714963.0600 41442913.2900 34932630.2800 30861743.5200 TG(12:1e_6:0_22:6)+H TG O-12:1_6:0_22:6 1103016.9020 4408583.1720 4069161.1620 3793404.5090 4312457.8450 3104365.9600 4963813.3940 3679062.1850 7719355.9340 3148381.4730 TG(13:0_12:3_12:3)+NH4 TG 12:3_12:3_13:0* 10618338.9900 3237264.9390 3339538.1570 4233736.5920 10632177.5200 15275438.2000 6003432.3840 5282976.7660 9159971.1910 4549472.2170 TG(14:0e_14:0_16:0)+NH4 TG O-14:0_14:0_16:0* 13028493.2200 12997022.7400 15596323.7800 14365649.0800 12302172.1800 9664143.5330 7343864.4530 7547946.7070 10802066.1800 8089220.4460 TG(14:0e_6:0_15:0)+H TG O-14:0_6:0_15:0* 31731157.5200 42315571.7800 29567318.8900 30680760.9600 32597910.3800 3208421.0830 2601362.7010 4175903.9580 3834167.7040 1503072.1510 TG(14:1_10:1_12:2)+NH4 TG 10:1_12:2_14:1* 49586568.9700 50398201.1200 42755805.5200 47124099.7500 70674784.0200 76159624.0300 94552429.6200 85405832.3300 83380122.9200 84054513.6700 TG(14:1_10:4_10:4)+Na TG 10:4_10:4_14:1* 53653935.1200 85354471.3800 16328797.6300 52764130.6700 14682459.6600 62030263.7200 96432703.9300 68938502.6300 58793023.9100 38525027.8800 TG(14:1e_17:1_22:5)+Na TG O-14:1_17:1_22:5* 15898474.6700 14177814.0500 7146503.4310 5973475.4760 22806506.1900 20306751.7400 24883160.4800 18322014.0600 10696342.8300 20974325.2800 TG(14:1e_20:0_20:4)+H TG O-14:1_20:0_20:4* 33701787.3000 30414906.7000 23276332.1500 12464038.5400 40167767.6600 53617794.9400 19050408.5000 41321885.4000 29285474.8800 20309146.8900 TG(14:1e_20:0_22:6)+H TG O-14:1_20:0_22:6* 6125112.1440 11201735.3500 9019985.4290 10188233.5200 11286919.7700 9280999.6570 11534445.9800 11600501.9500 15219765.5700 11801073.0600 TG(14:1e_22:5_22:5)+H TG O-14:1_22:5_22:5* 26715355.8200 25073775.8900 27137123.5500 30067313.0200 27934966.0400 32705202.1600 30040592.8200 34463145.2600 32089954.4900 37587356.7700 TG(15:0_14:0_16:0)+NH4 TG 14:0_15:0_16:0 173668929.2000 204506881.3000 184346356.8000 194096403.2000 173549313.7000 145939667.3000 119590277.1000 154895702.4000 162026467.2000 126094804.1000 TG(15:0_14:0_16:1)+NH4 TG 14:0_15:0_16:1 119745898.5000 152136515.5000 132944565.8000 131448925.8000 120697685.3000 151346079.5000 119882029.5000 142025416.9000 173398254.9000 124305613.3000 TG(15:0_14:0_18:1)+NH4 TG 14:0_15:0_18:1 928389028.8000 836408063.2000 908506681 793689938.2000 979339312.5000 981510736.3000 825901655.4000 1032740841 1185367414 681290296 TG(15:0_16:0_16:0)+Na TG 15:0_16:0_16:0 640704750.4000 87087012.9300 702887121.2000 111420496.5000 643591798.6000 85476358.9200 531986626.6000 81942674.2900 95853305.2800 503117009.2000 TG(15:0_16:0_16:0)+NH4 TG 15:0_16:0_16:0 458018788.5000 527151089.8000 498614579.9000 488475174.2000 473342207.6000 378027251.7000 346044751.9000 415664710.7000 415203712.5000 316317815.4000 TG(15:0_16:0_18:1)+NH4 TG 15:0_16:0_18:1 2235281985 2509182131 2463062441 2314020138 2273350005 2359397107 2005699672 2637365343 2582509479 1994693419 TG(15:0_16:0_20:5)+NH4 TG 15:0_16:0_20:5 7484133.3270 21129670.7300 7223245.4640 6386505.0920 17840863.4200 30566335.2000 25953870.6900 36678965.2800 47853932.1800 36864655.8900 TG(15:0_16:0_22:4)+H TG 15:0_16:0_22:4 149362634.7000 143048415.3000 143126552.7000 158802771.6000 147989259.2000 159733543.2000 141826199.5000 166131761.3000 153634702.5000 140887215.2000 TG(15:0_16:0_22:6)+NH4 TG 15:0_16:0_22:6 27356499.3900 30497423.4700 31446410.5200 28363674.3300 18896108.4200 51539563.1600 3361538.1190 47756039.8100 39581918.9900 30744999.9600 TG(15:0_16:1_16:1)+NH4 TG 15:0_16:1_16:1 13891136.9300 8060774.0720 7633264.5830 7230129.6940 17959537.4100 12024978.8500 3262071.7100 9155419.6610 7092769.0180 5577374.3130 TG(15:0_16:1_18:1)+NH4 TG 15:0_16:1_18:1 1376336871 1564064126 1532685694 1503695638 1410137446 2234867651 1580844244 2157162612 2308152958 1788805447 TG(15:0_20:3_22:6)+NH4 TG 15:0_20:3_22:6 13434026.2300 16062565.8400 24483500.5700 13326821.1900 12082160.8100 29241907.2300 10515028.6500 18783657.4500 34681861.8300 18980456.2400 TG(16:0_10:0_12:0)+NH4 TG 10:0_12:0_16:0 2203286.5710 2801173.1020 563647.7908 782771.1685 979730.9430 2168476.6350 122547.8293 521398.3460 296082.4833 1594043.2010 TG(16:0_10:0_18:1)+NH4 TG 10:0_16:0_18:1 47154910.6400 40002639.0100 31639113.8100 31988564.4200 31793055.9400 44171079.0900 31027014.5400 49285109.9900 56318543.8500 31227114.4600 TG(16:0_10:0_18:2)+NH4 TG 10:0_16:0_18:2 4040763.9950 7257859.4570 6007710.4200 5508412.0420 6476020.5430 6217744.7800 4796357.9940 9515284.6430 12815348.4000 5719318.2390 TG(16:0_10:2_10:4)+NH4 TG 10:2_10:4_16:0* 38986694.8400 32539539.6100 25675589.2300 19579280.3400 16624120.2400 27703621.5300 23816462.3300 20016828.8700 23052930.1400 24597338.7800 TG(16:0_10:3_11:1)+NH4 TG 10:3_11:1_16:0* 10867612.2700 9816095.0590 6334309.9610 10350132.2000 10712866.9900 24508590.7900 22392524.0600 20391926.7400 31584874.2100 24004595.9900 TG(16:0_12:0_12:0)+NH4 TG 12:0_12:0_16:0 9358034.5820 9975995.6130 15320819.1800 9967144.7150 31744543.0800 29667550.8000 7681971.1810 13676889.7400 14669756.6800 28942453.9200 TG(16:0_12:0_18:1)+NH4 TG 12:0_16:0_18:1 243406.4316 2231571.9670 906909.3214 653752.7070 9845059.9700 292732.0357 5895432.6630 488690.2300 16305631.3600 2144953.6600 TG(16:0_12:0_22:6)+NH4 TG 12:0_16:0_22:6 7375441.0220 7276660.2540 7619615.3080 6198069.7910 5321458.9910 9606039.9400 8005087.6130 8461053.1680 9351866.5590 7144090.6510 TG(16:0_13:0_14:0)+NH4 TG 13:0_14:0_16:0 30079569.5200 21387293.5000 27822690.1300 17226221.4800 30476235.9400 28337050.9000 19751355.5200 34031683.3100 34266523.2300 22823463 TG(16:0_13:0_16:1)+NH4 TG 13:0_16:0_16:1 17894530.6400 18142802.6200 17123096.4300 14322873.0400 16893359.6300 27312863.5800 17904045.0900 22165283.5800 27274031.4700 17083119.3900 TG(16:0_14:0_14:0)+NH4 TG 14:0_14:0_16:0 430552516.3000 434265063.8000 410722109.5000 411678908.9000 436868686.3000 379293166 252864900.6000 363146649.1000 428638200.8000 293662573.1000 TG(16:0_14:0_16:0)+NH4 TG 14:0_16:0_16:0 980008847.8000 1034653361 1000406061 1000038834 977936597.3000 787893086.1000 729508166.2000 843575813.4000 881381189.8000 656906662.3000 TG(16:0_14:0_16:1)+NH4 TG 14:0_16:0_16:1 1953467073 2322390726 2287641973 2128158392 1992146996 2241572088 1977539002 2243158352 2662986376 1953838317 TG(16:0_14:0_17:1)+Na TG 14:0_16:0_17:1 1057423930 974060755.8000 524923045.4000 531403986.4000 1007278887 1261632307 1074747131 1175883328 1322729256 620581778.6000 TG(16:0_14:0_18:1)+NH4 TG 14:0_16:0_18:1 6084361791 6724550633 6268166512 6389123957 6027688741 6317789931 5838355695 6700134946 6609539786 5416793535 TG(16:0_14:0_22:6)+NH4 TG 14:0_16:0_22:6 4369628.1540 43079172.5200 42047490.0300 34007009.0800 38858800.2100 29559785.6100 61457196.7300 28428990.2700 90195587.0300 63941064.5000 TG(16:0_14:1_16:1)+NH4 TG 14:1_16:0_16:1 45884082.8300 56617926.0900 49623158.9000 63312895.3700 44228303.1200 82673498.4800 71673467.9500 74101354.8800 95019533.4600 70515125.8700 TG(16:0_16:0_16:0)+Na TG 16:0/16:0/16:0 25336224.5500 27157569.3200 29996196.5200 24638119.0300 25586345.8100 43893444.0600 36013176.0700 47176130.3800 51547712 37372870.6800 TG(16:0_16:0_16:0)+NH4 TG 16:0/16:0/16:0 1257729364 1388173317 1314841557 1331933822 1280499727 1114871217 1016411078 1198481101 1124591458 945860616.6000 TG(16:0_16:0_17:0)+NH4 TG 16:0_16:0_17:0 467647953 547686221.9000 502805056.5000 523822679.2000 485446978.7000 400027377.8000 328293952.5000 432111577.1000 399963458.7000 307407053.1000 TG(16:0_16:0_18:1)+Na TG 16:0_16:0_18:1 29043336.6400 29463255.2700 27286868.4500 27461885.9900 27318503.3100 49912376.3400 36969276.6500 54143209.3700 59771037.4400 42737156.8300 TG(16:0_16:0_18:1)+NH4 TG 16:0_16:0_18:1 8983038345 9249355953 9152781281 9075380607 8999977481 9351434933 8604072013 10181913356 9777582090 8064165372 TG(16:0_16:1_18:1)+NH4 TG 16:0_16:1_18:1 13336932441 13807517857 14148458214 13518197421 14470119623 17927051175 14905160634 17927014110 18620082920 14771485673 TG(16:0_16:1_22:5)+NH4 TG 16:0_16:1_22:5 142409116.8000 138578769.8000 177093224.1000 123117022.2000 139860986.4000 330542692.6000 192483941 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35550527.8400 34311162.9500 23864370.8000 37128042.5500 35529907.3300 36951654.6500 38548627.9100 35407085.6400 TG(16:0e_15:0_16:0)+NH4 TG O-16:0_15:0_16:0* 32470910.3400 24677083.8100 22200087.1300 25343567.8000 19992909.1700 17633153.8600 16984717.6000 21605413.8000 17346830.7100 16833447.0300 TG(16:0e_16:0_17:1)+NH4 TG O-16:0_16:0_17:1* 162162462.9000 148409382.2000 177072271.5000 169177595.6000 169623125.1000 160648625.4000 117071415 142969949 143650160.6000 126999007.8000 TG(16:0e_16:0_18:1)+NH4 TG O-16:0_16:0_18:1 4116575097 3813047186 3875104189 3681927834 3970761443 4032566919 2965724741 3938776675 3904247498 3091658894 TG(16:0e_16:0_22:4)+H TG O-16:0_16:0_22:4* 22428336.2700 19951255.1200 30676095.6300 21405800.9300 24026204.1200 27874098.6300 17198776.0200 20168776.9600 24313999.6200 15480593.9700 TG(16:0e_16:0_22:6)+H TG O-16:0_16:0_22:6 32041039.0100 5975121.0320 16926514.2400 53573402.9600 65091396.5300 67352267.5000 32212743.4600 28430035.9500 42282606.0200 31371860.8800 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171488668.7000 61396096.2900 151787176.9000 259613338.7000 179005145.2000 102097441.3000 274576980.8000 TG(16:0e_18:1_22:5)+NH4 TG O-16:0_18:1_22:5 82857718.0200 87573051.8700 95138722.6700 86328384.6000 82166518.8900 113898942.8000 109607275 120883487.4000 126686897.5000 106035536 TG(16:0e_19:1_22:6)+NH4 TG O-16:0_19:1_22:6* 23635393.3100 11215180.4100 7468894.6270 16333912.2600 22213745.3300 24737947.9500 17881659.9800 25776759.9700 17313514.5100 19737276.9500 TG(16:0e_22:5_22:6)+NH4 TG O-16:0_22:5_22:6* 10931161.9600 8155922.9800 8990192.9020 11592053.2500 12990188.3600 20877986.8100 8282843.8720 13801554.4800 20143897.8700 12794587.5500 TG(16:0e_22:6_22:6)+NH4 TG O-16:0_22:6_22:6* 32943279.6400 35666808.7900 35999925.5800 34327977.4500 31292504.8500 52853398.7700 48480875.1400 61828165.0500 59685493.0600 50610596.5900 TG(16:1_11:2_22:6)+H TG 11:2_16:1_22:6* 139845402.3000 82754729.1300 93738970.6200 107111843 186255222.1000 106642718.7000 76056023.5300 100094188 167925328.3000 71374561.5300 TG(16:1_12:0_17:1)+NH4 TG 12:0_16:1_17:1 11793938.2700 17674275.1400 16717116.7000 12409614.9000 15442686.4800 23943326.2400 15944785.2900 20955972.1500 22860341.9300 18823972.5600 TG(16:1_12:0_18:1)+NH4 TG 12:0_16:1_18:1 480993120.7000 543488130.5000 547948280.2000 517243666.7000 488565350.6000 715999029.3000 608275095.6000 729840968.6000 768078489.9000 597321827.3000 TG(16:1_13:0_18:1)+NH4 TG 13:0_16:1_18:1 217204849 262000857.1000 242184307.2000 241147232.5000 217636738.4000 347395318.7000 271490993.3000 335155877.3000 389761934 290767832.6000 TG(16:1_14:0_18:1)+NH4 TG 14:0_16:1_18:1 3265919075 4417296200 3921043428 3764957888 3293765139 4840639874 4374830165 5143370569 5852646984 4484192549 TG(16:1_14:0_20:4)+NH4 TG 14:0_16:1_20:4 42981745.6500 10482469.4000 31894565.6700 44189421.6200 12921450.5800 42407351.5600 60679317.3600 67083358.8700 80746024.3600 62691724.2400 TG(16:1_14:0_22:6)+NH4 TG 14:0_16:1_22:6 15484095.3100 14499394.1300 13385922.2700 14077800.7300 10773120.3500 28877001.8400 18796450.4400 21120658.1800 23887123.6300 19114947.8100 TG(16:1_14:1_17:1)+NH4 TG 14:1_16:1_17:1 9802161.3170 10748204.1400 10798113.0100 12578743.0800 9997267.2710 18655845.9400 12346418.6000 16547280.5800 22816649.7500 14737130.4300 TG(16:1_14:1_18:1)+NH4 TG 14:1_16:1_18:1 348246524.8000 387968456.4000 364689581.4000 332499505 358252558.2000 637263840.9000 477849358.1000 606410588 722135121.9000 498847364 TG(16:1_16:1_17:1)+NH4 TG 16:1_16:1_17:1 140881229.1000 153528692 144831954.4000 137749438.3000 169886240.5000 274327910.8000 178807015.5000 251296319.3000 295915711.4000 209827180.9000 TG(16:1_16:1_18:1)+NH4 TG 16:1_16:1_18:1 3038516309 3390239480 3373651776 2994367168 3011704329 5167442359 3990213998 5361015808 5896483041 4621817610 TG(16:1_16:1_18:2)+NH4 TG 16:1_16:1_18:2 288075463.7000 329762154.8000 316124822.6000 306061883.5000 285920386.7000 547502620.2000 404011609.8000 521169351 619762174.4000 451403656 TG(16:1_16:1_22:0)+NH4 TG 16:1_16:1_22:0 26457481.4400 38213877.9700 47005875.1300 55740331.3500 24069680.1100 42155937.1600 46124069.4500 52870512.3300 55989682.0600 49062842.3800 TG(16:1_16:1_22:6)+NH4 TG 16:1_16:1_22:6 14127704.7300 14335111.6500 12905417.4900 7762394.2350 18199818.7300 39904132.4600 27344910.6400 33001496.9300 44135959.8700 29195933.5200 TG(16:1_17:1_18:1)+NH4 TG 16:1_17:1_18:1 975575289.7000 1118957536 1105956652 1040836570 1019542611 1796311599 1317491075 1707351085 1868790725 1451763753 TG(16:1_17:1_18:2)+NH4 TG 16:1_17:1_18:2 103530492 56349731.7700 56836758.9700 104598814.2000 51019361.5600 180355675.1000 65487472.7400 104843004.9000 108693569.6000 75048091.6700 TG(16:1_18:1_18:1)+NH4 TG 16:1_18:1_18:1 11426985110 9648706587 10892963374 9441942340 11608489497 16417761012 12061853943 15838313360 17883943877 12003409669 TG(16:1_18:1_18:2)+NH4 TG 16:1_18:1_18:2 1679385983 1786681583 1778123758 1610077793 1658814707 3228581324 2236847822 3084495954 3367256006 2531081875 TG(16:1_18:1_18:3)+NH4 TG 16:1_18:1_18:3 314683666.3000 364249259.3000 383211933.8000 321618754.9000 315228793.3000 548359394.3000 462798691.2000 625802023.6000 742498314.7000 555303282.8000 TG(16:1_18:1_20:3)+H TG 16:1_18:1_20:3 289800233.1000 327804871.7000 267263352.6000 290094371.9000 297103968.2000 310256143.7000 279814859.9000 327078366.2000 283423742.1000 273438713.6000 TG(16:1_18:1_22:6)+NH4 TG 16:1_18:1_22:6 212323531.9000 237909425.1000 246898460.5000 234195611.6000 197355095.9000 459012238.1000 341702212.7000 459977866.8000 540341446.2000 395182243.5000 TG(16:1_18:2_22:6)+NH4 TG 16:1_18:2_22:6 7912569.0110 8915454.5480 11353710.0100 10542491.9500 11471646.8800 36705737.1400 12635294.8800 24816333.5600 22612208.1500 15586513.4200 TG(16:1_20:1_22:2)+NH4 TG 16:1_20:1_22:2 17202251.4900 7712030.0010 16422551.4000 18137870.5100 16693676.3500 28780483.1500 17955891.0500 17358247.3400 22069367.7100 27510116.7000 TG(16:1e_10:4_19:1)+H TG O-16:1_10:4_19:1* 29046895.5300 31207785.0800 26217975.3500 30114974.3200 32493692.2900 29848119.6800 27221178.1200 28686537.2200 38962171.5700 22804400.5200 TG(16:1e_14:0_16:0)+NH4 TG O-16:1_14:0_16:0* 67871089.5200 68443805.1800 73574275.1300 60639073.8700 63680342.1600 58015716.5800 44043668.0400 60771030.5700 58970920.3600 45738435.5100 TG(16:1e_14:0_16:1)+NH4 TG O-16:1_14:0_16:1* 18255220.0900 17989912.6400 19452037.1200 18585812.1500 17811934.5800 13015273.5600 11142200.6200 12552381.9400 14162411.8400 10508746.0800 TG(16:1e_17:1_18:1)+NH4 TG O-16:1_17:1_18:1* 46713443.1900 27199273.5700 28596852.8100 26122422.6900 35555315.3800 59548657.0900 41512110.6500 50914685.1800 57774507.3300 45166707.8600 TG(16:2e_10:4_21:1)+H TG O-16:2_10:4_21:1* 8187260.2090 9048925.7220 10642941.5400 10324986.0900 8939825.7010 12802920.4900 9176910.6290 12681136.8200 17790660.0200 11938072.6800 TG(16:2e_18:1_22:6)+NH4 TG O-16:2_18:1_22:6* 35567078 35011823.9300 35105561.0600 51904533.8300 34803617.2800 67256591.2800 54032764.8500 73265307.3100 71276649 55518176.4900 TG(17:0_18:1_18:1)+NH4 TG 17:0_18:1_18:1 4344853951 4203924250 4393152105 4203665010 4193342719 4795367963 3786602351 5084539427 4999973497 3932724682 TG(17:0_18:1_20:1)+NH4 TG 17:0_18:1_20:1 1563320916 1509613426 1502434955 1463395690 1511184298 1521371476 1176401310 1563756328 1492212948 1206836341 TG(17:0_18:1_22:0)+NH4 TG 17:0_18:1_22:0 45792067.6400 39171310.0800 43377020.6300 42026573.8200 46208493.1200 52086289 31777307.6900 52574002.9200 48002548.1700 44367808.2100 TG(17:0_18:1_22:6)+H TG 17:0_18:1_22:6 30947050.9000 28898406.4600 38699924.5300 35157427.1500 34121916.8200 32938570.4800 37966227.2800 43716794.0600 44992652.5200 37726394.7500 TG(17:0_6:0_11:4)+H TG 6:0_11:4_17:0* 110916227.3000 110231869.4000 96062912.3600 101376750.8000 111028074.7000 129848489.9000 149952016.4000 141101617.8000 151344959.3000 125964915.8000 TG(18:0_10:2_18:1)+NH4 TG 10:2_18:0_18:1* 3058606.2230 3758153.8190 2442786.7130 2808207.6070 2785651.1770 6010692.5210 4104112.6360 4993628.5290 7325016.2710 4218559.7260 TG(18:0_10:3_11:1)+NH4 TG 10:3_11:1_18:0* 11490473.6700 12171174.4000 8088161.8190 10918797.9800 13457146.4000 40645179.7700 28649524.7200 34770572.2700 46169732.6800 33277315.7500 TG(18:0_10:4_18:0)+NH4 TG 10:4_18:0_18:0* 1115382.1670 1967429.5250 789973.9201 1064160.9300 1220600.7320 2480920.6030 1735927.9530 2284827.5920 1105053.0630 1601192.0270 TG(18:0_12:0_16:1)+NH4 TG 12:0_16:1_18:0 204674297.5000 221293338.5000 224946351.7000 208316920.1000 258188650.3000 292878368.2000 208867277.6000 269687311.9000 268907307.2000 218559729.4000 TG(18:0_12:2_18:1)+Na TG 12:2_18:0_18:1* 137233412.2000 162700123.6000 148625117.9000 138356244.5000 119963070 135249488.5000 123093104.5000 143620364.9000 176993401.7000 100718729.3000 TG(18:0_16:0_16:0)+Na TG 16:0_16:0_18:0 96608414.0700 80680704.7800 83877535.3400 93151707.7500 92323281.8700 124074851 109834995.3000 130992738.2000 143616167.6000 109510438 TG(18:0_16:0_16:0)+NH4 TG 16:0_16:0_18:0 1273642713 1265858205 1226259828 1261029027 1254170627 1175855144 955400114.4000 1196793514 1086549883 949413831.9000 TG(18:0_16:0_17:0)+NH4 TG 16:0_17:0_18:0 191837041.3000 198809416.8000 173634924.6000 175935531.9000 172799983.3000 117744112.3000 95757443.9300 142778066.9000 123646980.6000 90539653.2800 TG(18:0_16:0_18:1)+NH4 TG 16:0_18:0_18:1 5967631131 5609977780 5814335292 5786641572 5825247597 6060508323 4962556871 6354458972 6213598787 4859758736 TG(18:0_16:1_21:0)+NH4 TG 16:1_18:0_21:0 154417350.4000 115808251.8000 164271593.7000 113565712.7000 112709608.3000 135276990.2000 122349144.6000 174182074.8000 154191681.8000 114292313.6000 TG(18:0_17:0_18:1)+NH4 TG 17:0_18:0_18:1 1005864164 1011419115 972832780.2000 968684822.9000 946952258.4000 864720370.3000 676306168.2000 933071607.3000 868156689.5000 679936105.6000 TG(18:0_18:0_22:6)+NH4 TG 18:0_18:0_22:6 23275440.4200 21986506.1300 25151747.2500 35861430.7400 10420923.9700 20022976.3200 24199239.1200 21066686.2000 25971178.8600 17707997.7100 TG(18:0_18:1_22:1)+NH4 TG 18:0_18:1_22:1 170137886.8000 171111481.3000 171926019.1000 136017944.2000 147634123.9000 202460683.4000 191907382.7000 223616652.9000 201210510.5000 105810953.4000 TG(18:0_18:1_22:5)+NH4 TG 18:0_18:1_22:5 257281517 310291624 287706180.8000 226940759 251616126 406478761.1000 438039119 421871361.6000 434251904.9000 377646708.8000 TG(18:0_18:1_22:6)+H TG 18:0_18:1_22:6 83569615.1300 105290476.1000 91097657.6500 71831944.5300 84492081.8700 86753252.8400 96189834.3600 80172853.3100 86083948.1700 72646704.6500 TG(18:0_20:1_22:6)+NH4 TG 18:0_20:1_22:6 21688238.3900 25948436.6500 28724537.5300 37441225.9600 16575178.5400 37819289.1900 28690230.6800 30130286.6900 28723370.0500 26686816.7900 TG(18:0_22:5_22:6)+NH4 TG 18:0_22:5_22:6 12425883.5300 11848929.2900 13126041.6600 12920256.0900 13230050.5000 32122450.6500 26112050.5500 31982244.1100 36992959.1600 27397950.0400 TG(18:0e_11:3_22:5)+Na TG O-18:0_11:3_22:5* 56826117.7100 68288024.5100 66572410.4600 65986381.1600 63918756.4300 68645850.2200 64786743.0900 83321324.6000 79885032.8400 68344165.4500 TG(18:0e_12:1_14:1)+NH4 TG O-18:0_12:1_14:1* 20879404.5000 24512367.2800 22711452.0300 23066789.0900 22430208.6700 16598997.5500 12045454.6000 15344870.7200 15579714.9500 10815385.6300 TG(18:0e_16:0_16:0)+Na TG O-18:0_16:0_16:0 71648130.4900 65177317.4500 70420491.0400 69393543.2200 63546884.5600 74201593.9600 73983242.5300 67208094.7500 81488920.1100 59228777.5700 TG(18:0e_18:1_22:6)+NH4 TG O-18:0_18:1_22:6* 293786260.8000 277130498.8000 311048006.2000 287286354.2000 294651009 319197961.1000 303864775.4000 357003068.3000 355068788.6000 310880286.4000 TG(18:0e_22:6_22:6)+NH4 TG O-18:0_22:6_22:6* 13252680.9000 16754320.7200 13917745.2200 11194523.5500 15620190.3900 25999151.9600 13030321.4600 25055385.8100 20304317.5000 22092774.6300 TG(18:1_10:3_11:1)+NH4 TG 10:3_11:1_18:1* 18234273.5600 23262420.7000 15815934.9200 24161297.6600 21093982.2600 43184157.3500 49260199.3700 35905530.0700 63551445.3800 36374717.2600 TG(18:1_10:3_12:4)+Na TG 10:3_12:4_18:1* 8419806.5240 6561486.0390 5494592.3850 6235304.3150 7490927.3290 8786809.0340 11330685.9500 8022367.7700 9152084.8570 6865083.1870 TG(18:1_10:4_22:6)+Na TG 10:4_18:1_22:6* 44290408.7900 6102248.6420 5053057.1390 731192.6865 3331672.2170 10498146.1200 14470882.3800 6226267.9840 14759162.3200 4318132.8830 TG(18:1_12:0_12:0)+NH4 TG 12:0_12:0_18:1 25058016.1200 36127289.6900 43195531.8300 43789462.7600 35393359.2000 35573156.2400 30980949.3600 38797513.1400 44956356.0500 29123752.1200 TG(18:1_12:0_14:0)+NH4 TG 12:0_14:0_18:1 283544286.9000 337912759.3000 315614457.2000 319411546.6000 292935673.4000 308319587 296693118.5000 350297460.1000 387488648.1000 264839052.2000 TG(18:1_12:0_18:2)+NH4 TG 12:0_18:1_18:2 56551605.2900 51677243.5400 55273127.7800 52544933.8100 50416126.8300 100204516.6000 67240965.3000 81387207.8700 108985021.5000 72928110.2300 TG(18:1_12:0_18:3)+NH4 TG 12:0_18:1_18:3 71181339.8100 61151159.6000 55048021.3300 56669649.7600 75232859.7400 134567498.5000 56594598.8000 85647438.5900 91786774.1900 47663887.2000 TG(18:1_14:0_14:0)+NH4 TG 14:0_14:0_18:1 1563160.6180 4072273.7170 1036632.6260 308255.7681 332473.3147 320157.3502 3726967.8840 1548691.4860 232917.8229 1951801.8960 TG(18:1_14:2_17:1)+NH4 TG 14:2_17:1_18:1* 10953647.0200 15868478.3200 16686881.7400 18104216 9436249.6740 25033662.7300 14304946.2500 21576753.7800 18341269.2900 21882938.5200 TG(18:1_17:1_18:1)+NH4 TG 17:1_18:1_18:1 2693600818 2768474029 2912172830 2546104979 2618597369 3543023181 3044322349 3787352233 4004002173 3140952934 TG(18:1_17:1_18:2)+NH4 TG 17:1_18:1_18:2 355712647.4000 321057198.7000 316254541.7000 408711762.7000 260088181.8000 451202095.5000 475969614 409817663.8000 511201525.8000 365808936.6000 TG(18:1_17:1_18:3)+NH4 TG 17:1_18:1_18:3 18498464.9800 16101714.9700 19590290.3700 18591818.0900 14976404.5000 27250012.9200 24048946.9300 28222269.0300 35333848.8600 26018865.9400 TG(18:1_17:1_20:3)+NH4 TG 17:1_18:1_20:3 15293311.7200 24851491.4000 34008333.0600 28691057.8100 15265882.5000 32405687 54288664.7400 49733298.9300 55009263.0100 55230501.1100 TG(18:1_17:1_20:4)+H TG 17:1_18:1_20:4 202256119.8000 208597989.4000 225698836.1000 209810771.9000 209340976.6000 236225932.1000 264094991.9000 292411217.3000 302142059 258364940.1000 TG(18:1_17:1_22:5)+NH4 TG 17:1_18:1_22:5 14125066.3900 15746703.7000 42726399.4900 26445414.8100 31419772.5000 23241914.6600 21185022.4200 30683061.6400 26793924.9100 23530957.8000 TG(18:1_17:1_22:6)+NH4 TG 17:1_18:1_22:6 37591389.3100 39571279.4900 43275349.7000 32002670.9700 33468130.6900 64261996.1600 49665718.2700 75594678.2000 81443605.7200 53713517.6900 TG(18:1_18:1_18:1)+NH4 TG 18:1/18:1/18:1 14633348650 14312480117 15389235297 14111063124 14179074137 16968475639 15068382776 17411302571 18792307195 15262730341 TG(18:1_18:1_18:2)+NH4 TG 18:1_18:1_18:2 3590807747 3554526700 3731025332 3444618996 3439983602 4663004160 4099945570 4993168285 5415345646 3887561940 TG(18:1_18:1_20:2)+NH4 TG 18:1_18:1_20:2 550547993.4000 503439089.3000 578188271 522171390.7000 579492208.1000 717762967.4000 659235215.9000 773469599.4000 890307794.7000 694922840.7000 TG(18:1_18:1_20:3)+NH4 TG 18:1_18:1_20:3 413483066 387533272 389954389.8000 374905874.1000 403546516.2000 467890553.3000 331619899.8000 480464074.7000 513239029.3000 354592226.2000 TG(18:1_18:1_20:4)+NH4 TG 18:1_18:1_20:4 37356005.6400 38143325.1200 37258211.3000 38986492.3400 38976247.3600 52170632.3400 46475415.3600 50838846.5500 48643023.6700 43836142.1600 TG(18:1_18:1_21:1)+NH4 TG 18:1_18:1_21:1 12414950.6200 7395201.5260 5171794.8260 11406611.1300 10327066.3500 27508808.4700 13284466.5500 16428745.0500 14692268.7400 15527911.6700 TG(18:1_18:1_22:2)+NH4 TG 18:1_18:1_22:2 257000299.5000 232056088.8000 259317419.2000 229928135.6000 265169313 275621633.9000 208166675.6000 236753292.7000 263904539.5000 211776871.1000 TG(18:1_18:1_22:3)+NH4 TG 18:1_18:1_22:3 613305781.9000 548809857.4000 610522412.9000 539501241.9000 568988434.2000 606929378.2000 485279794.6000 547400351.2000 622089542.8000 510683311.1000 TG(18:1_18:1_22:5)+NH4 TG 18:1_18:1_22:5 314407252.4000 457734998.9000 235083025.7000 361471679.6000 372122910.7000 436092958.6000 308476792.6000 556328548.5000 546996856.3000 351784664.5000 TG(18:1_18:1_22:6)+H TG 18:1_18:1_22:6 67655559.6900 71065693.4200 64173780.8900 64052216.1400 51353836.0400 51265061.5300 70856707.1700 63938493.0200 67022298.3500 65793665.2100 TG(18:1_18:1_22:6)+NH4 TG 18:1_18:1_22:6 16390391.6200 41187428.3600 49630254.9500 56172894.2900 69750596.2200 27451266.7200 57713182.2400 46808574.2200 78318543.0400 73165659.1000 TG(18:1_18:1_23:0)+NH4 TG 18:1_18:1_23:0 33627757.1000 34912240.9200 35450498.2800 35327359.1100 36118969.3300 39068379.2800 42196497.4200 46981760.9300 46711774.7000 39367287.3700 TG(18:1_18:1_24:0)+NH4 TG 18:1_18:1_24:0 47823803.4800 39084109.1600 35451037.7900 41551721.4200 43248448.6300 59586789.0500 25579661.7200 47936769.5300 44209264.9300 42039593.4300 TG(18:1_18:2_18:2)+NH4 TG 18:1_18:2_18:2 370705653.2000 441534292.1000 453320989.7000 405556671 352942067.8000 532452614.5000 533103573.8000 784242658.3000 698126876 597940449.8000 TG(18:1_18:2_18:3)+NH4 TG 18:1_18:2_18:3 162548297.8000 143877932.1000 139069289.1000 159022482.2000 159855609.7000 184428444.5000 170505101.3000 185678889.1000 181855546.3000 173229128.8000 TG(18:1_18:2_20:4)+H TG 18:1_18:2_20:4 256166168.5000 212870542 224246033.4000 211259086.1000 235751258.3000 273341013.6000 237086155 264877598.6000 283334898.4000 277256468.9000 TG(18:1_18:2_21:1)+NH4 TG 18:1_18:2_21:1 1589867.6470 1310281.6230 1071590.8590 2949211.3830 4357051.4990 6466153.7780 288548.6537 2440063.2440 7284427.3530 2440188.1740 TG(18:1_18:2_22:6)+NH4 TG 18:1_18:2_22:6 82532755.6700 87614350 86881128.1900 83581920.2700 80236885.0100 156770268.1000 110988288.3000 164815088.9000 196392613.4000 121631640.7000 TG(18:1_20:2_22:6)+NH4 TG 18:1_20:2_22:6 43992580.3700 64282319.8400 62032416.7900 60548100.5900 47657319.5700 51363904.7900 63315664.3200 72066116.8100 114496945.3000 95638681.6300 TG(18:1_20:3_22:6)+NH4 TG 18:1_20:3_22:6 24857852.0600 19297966 22545568.9700 38712039.4600 39887880.6800 74621605.4600 33700162.2200 37929208.2400 42353883.1300 33542746.0500 TG(18:1_20:4_20:4)+H TG 18:1_20:4_20:4 75148829.4700 82543565.2700 85098593.1200 84642442.9800 84005633.0900 121402853.7000 107439067.7000 125025164.4000 159394756.5000 115252656.7000 TG(18:1_20:4_20:5)+H TG 18:1_20:4_20:5 14140609.2600 86257187.9100 19122170.8700 17276831.1000 75536314.7400 23487874.3600 23431827.0300 27918138.1400 37114909.8200 105579310.4000 TG(18:1_20:4_22:4)+H TG 18:1_20:4_22:4 41170795.8500 41308536.7800 33280370.8900 28670030.1800 24673958.3600 37478560.6700 66083657.9000 70310518.5700 73807985.5600 60615009.9300 TG(18:1_20:4_24:1)+NH4 TG 18:1_20:4_24:1 84886712.6800 77499298 80905972.8100 77535898.8700 80887010.5100 104217640 80603924 102384579.8000 106080015.1000 89292400.7200 TG(18:1_22:1_22:6)+NH4 TG 18:1_22:1_22:6 10784823.5100 14230356.6900 3406482.7100 20008220.4800 15752337.0500 17570188.0200 16250680.0300 26100330.7000 27315132.3600 18554747.0400 TG(18:1_22:2_22:6)+NH4 TG 18:1_22:2_22:6 25034002.7300 3318110.6370 5160058.6000 20617901.4800 19523595.6700 4552273.5910 17311336.4200 26145532.8300 27903781.9700 22773553.3200 TG(18:1_22:4_22:5)+NH4 TG 18:1_22:4_22:5 23835125.3200 24939854.8800 28315604.1500 19021741.1400 23254467.9100 39475064.0400 33684711.4100 29247792.6600 60388195.8000 43767769.0300 TG(18:1_22:5_22:6)+NH4 TG 18:1_22:5_22:6 5410752.3090 5723729.1780 5016063.2450 5738910.1500 4486655.9650 13489435.1900 8321492.8600 11257342.7200 16900339.3000 8199125.5190 TG(18:1_22:6_22:6)+Na TG 18:1_22:6_22:6 18320387.0900 22371718.0800 20393531.1100 17052991.3200 21441278.7400 30498425.6800 32465016.7800 34290757.1700 39556324.6800 30901189.6600 TG(18:1_22:6_22:6)+NH4 TG 18:1_22:6_22:6 8734842.0760 8690135.1120 9552036.0140 7718778.9740 7912761.1650 23624293.3600 17514387.4100 25108105.8700 26505521.2200 18814643.9700 TG(18:1_22:6_24:1)+NH4 TG 18:1_22:6_24:1 55721671.2000 50186332.0700 53815677.9900 51162866.0800 55060439.8400 52060024.3200 43648168.5200 60069206.3900 56504652.7900 44290809.3500 TG(18:1_22:6_24:2)+NH4 TG 18:1_22:6_24:2* 2391324.3750 2966425.7180 2777020.7190 2602075.2140 1660903.8400 2514460.1540 2825310.8310 4066576.2520 3017715.7950 1554748.4460 TG(18:1e_14:0_15:0)+NH4 TG O-18:1_14:0_15:0* 1728046.2200 3537299.8800 6023820.3510 4261002.8070 4792478.8810 1290306.7070 1024255.0730 17059732.6700 1887351.8750 4743503.4440 TG(18:1e_14:0_16:0)+NH4 TG O-18:1_14:0_16:0* 804685139.4000 746412169 795746831.4000 763254738.7000 761662770.3000 659105437.6000 521628357.6000 638075155.9000 678782615.3000 521986905.5000 TG(18:1e_14:0_16:1)+NH4 TG O-18:1_14:0_16:1* 113581111.9000 121072045.3000 121082237.2000 105756832.9000 115801481.7000 114784561.3000 84152735.3000 101424926.6000 108872007.8000 91425862.4000 TG(18:1e_16:0_18:1)+NH4 TG O-18:1_16:0_18:1 3505632265 3065425802 3222161091 2965216945 3211046201 3408076832 2447437705 3250878120 3317600489 2638056159 TG(18:1e_16:1_16:1)+NH4 TG O-18:1_16:1_16:1* 113563265.2000 117503510.5000 113515964.8000 109852477.3000 104497801.7000 161921586.1000 142805360.8000 164736490.5000 172557121.6000 137822632.5000 TG(18:1e_16:1_18:1)+NH4 TG O-18:1_16:1_18:1* 547581888.3000 525024722 527792728.5000 511871789.8000 505129085.2000 567022910.4000 460119063.8000 523499588.9000 604756722.3000 488049234.8000 TG(18:1e_17:1_18:1)+NH4 TG O-18:1_17:1_18:1* 180886641.5000 168249334.1000 177617721.9000 161855679.9000 167693805.9000 171796186.6000 129795964 164392320.7000 181466525.7000 141378570.8000 TG(18:1e_18:1_18:1)+NH4 TG O-18:1_18:1_18:1 793270597.1000 733265119.9000 770197848.6000 725522081.9000 693891649.3000 769079026.9000 587847135 682249452.4000 763845275.2000 653732400.2000 TG(18:1e_18:1_20:5)+H TG O-18:1_18:1_20:5* 63071549.5500 46197448.3000 59111857.1100 53847228.2000 62652734.0400 68550120.3100 59473028.9200 85797526.3800 92724342.4100 75822832.2800 TG(18:1e_18:1_22:4)+H TG O-18:1_18:1_22:4* 11925062.0300 16457768.7200 33509435.0400 16977831.3100 38142683.4800 16337336.0700 42387435.5000 53959763.4900 40028394.6600 45011713.6900 TG(18:1e_18:1_22:6)+NH4 TG O-18:1_18:1_22:6* 86350829.0900 96002843.6900 85812617.6300 97344326.9300 96549556.1900 107602303.6000 104995004 86849463.1200 142385728.3000 128942531.5000 TG(18:1e_22:6_22:6)+NH4 TG O-18:1_22:6_22:6* 6747498.8890 9445775.8060 10904822.9300 9351699.8950 8552341.1590 14353074.5800 10460267.2500 20349949.5900 15656047.7100 13179769.6000 TG(18:1e_6:0_10:0)+Na TG O-18:1_6:0_10:0* 178701936.2000 217543122.3000 170210574.9000 227098301.7000 216723373.7000 248257235.3000 286461050.8000 322441727.9000 301433538.3000 224552825.5000 TG(18:2_10:3_12:4)+Na TG 10:3_12:4_18:2* 2588097.8010 3116138.4870 3091948.2180 2377790.9830 2322648.5750 2526848.2530 4014098.7400 3390543.5790 3905646.6660 2321848.6400 TG(18:2e_10:3_18:1)+H TG O-18:2_10:3_18:1* 5915655.0720 5648222.1410 5809035.1950 5804802.2550 6296134.1500 7211709.6960 6769974.1890 7709329.4250 10256477.7000 5677764.0210 TG(18:2e_11:3_18:1)+H TG O-18:2_11:3_18:1* 337964935.3000 348518306.2000 308953688.5000 321929318.4000 315881754.9000 401651626.4000 362856819.5000 412907146.8000 416533554.6000 305571423.3000 TG(18:2e_17:1_18:1)+NH4 TG O-18:2_17:1_18:1* 15773521 25759217.8400 25169576.9500 18815675.4500 20877236.1300 31472204.1100 21682811.4700 30029459.2300 30931989.1200 25603081.0300 TG(18:2e_20:1_22:6)+NH4 TG O-18:2_20:1_22:6* 16029756.3600 8160746.6360 9456102.2090 7576934.5120 1121536.9140 22208109.7500 7619090.0930 14083212.7400 15726193.8300 1977835.5950 TG(18:3_18:3_18:3)+Na TG 18:3/18:3/18:3 1619551.6470 2494793.8630 1329389.6680 2052786.1300 1656859.5120 1921745.9180 1136946.7870 2632889.5610 3927181.1870 2028935.1830 TG(18:3e_11:3_20:5)+Na TG O-18:3_11:3_20:5* 2086693.2510 2747858.7980 1450728.7940 1422643.5300 3999448.8070 6469520.1340 4820219.7760 5664845.5380 9249858.8250 6902479.7220 TG(18:3e_13:0_22:5)+Na TG O-18:3_13:0_22:5* 121845530.8000 76702936.2900 83299759.2300 84800658.0600 75614640.9700 135634955.3000 95825014.5100 123634999.1000 112015694.3000 92990063.7400 TG(18:3e_14:4_19:0)+Na TG O-18:3_14:4_19:0* 38409469.7200 43671568.0900 40703087.6100 30876876.6500 36611944.5700 29219417.8300 33585347.9400 29729134.2800 30927418.4400 29989825.4200 TG(18:3e_14:4_20:5)+NH4 TG O-18:3_14:4_20:5* 33146139.3500 38632760.5600 36744096.3400 37023680.3100 35811065.5600 41329427.2300 38010276.6700 49962564.1300 48878309.0700 35378841.7700 TG(18:3e_16:1_16:1)+H TG O-18:3_16:1_16:1* 25808126.1700 27434817.8400 31913261.2000 11993094.2200 32203793.8000 19425660.1100 25794982.7100 21773407.3100 26179381.2900 28729157.6300 TG(18:3e_16:1_22:6)+H TG O-18:3_16:1_22:6* 14080049.6700 20169417.9400 18000465.4700 20502455.9100 16553485.6700 16151896.5200 20851741.2500 18595359.6600 21105600.6700 17385034.9200 TG(18:3e_17:0_20:5)+Na TG O-18:3_17:0_20:5* 22594483.0500 33744529.3500 29348230.8300 35207552.6000 57751076.5300 23376057.2800 83208800.4400 25359115.9600 60715045.6600 36540547.6000 TG(18:3e_17:1_20:5)+Na TG O-18:3_17:1_20:5* 24873265.8300 31292755.4000 21721011.4700 31903025.6000 31432727.0500 24440973.1100 42927800.1800 31408675.3000 46071708.6700 43991528.2700 TG(18:3e_17:1_22:6)+Na TG O-18:3_17:1_22:6* 25755023.7800 28399933.1300 28819890.8300 25342409.6600 31284195.1600 43850550.9900 29143881.3500 34617792.1800 37962575.6700 30499817.1800 TG(18:3e_18:1_22:6)+H TG O-18:3_18:1_22:6* 43644783.7600 40583998.7600 46775211.7900 48400784.7700 47231352.5100 49414720.2900 57941164.0700 54460646.6800 58416585.1100 72296769.2200 TG(18:3e_18:3_22:3)+Na TG O-18:3_18:3_22:3* 21111077.8500 15704935.2500 21518859.6200 15731699.7300 15872424.0500 23763861.8000 27408577.2500 34986809.7600 32682275.5400 27151901.7900 TG(18:3e_19:0_20:5)+Na TG O-18:3_19:0_20:5* 18662147.7900 11169301.3100 32418758.0500 33405309.3000 39219651.7800 42740490.9700 47806603.1200 54819390.7800 49695821.5000 62982557.2300 TG(18:3e_20:5_21:1)+Na TG O-18:3_20:5_21:1* 4352808.4750 3873609.3110 5205207.3910 5706174.3730 3027688.7810 5786886.2780 5096439.3360 4221778.5020 4317108.0860 5467969.9460 TG(18:4_10:2_10:4)+NH4 TG 10:2_10:4_18:4* 5446097.8130 12688487.0600 21608225.0600 8506509.7190 19611256.7800 18539613 4708170.8590 6137561.3870 14069228.0600 18722771.1900 TG(18:4_10:3_16:1)+NH4 TG 10:3_16:1_18:4* 11240189 11125234.9200 9193677.4070 8063342.0610 14970473.6200 14984976.2800 10841874.2000 16017969.6900 19020627.8100 7578196.0630 TG(18:4_10:4_10:4)+NH4 TG 10:4_10:4_18:4* 5002375.5150 10453293.9600 5025883.1520 8480051.9820 3879939.7220 5817945.0230 10104401.9700 818178.3988 3942133.5470 5954535.9250 TG(18:4_10:4_11:2)+NH4 TG 10:4_11:2_18:4* 13414397.8300 22235451.8900 15630730.1000 19968079.6600 10011372.3000 12761902.3300 21362635.2800 11667882.8200 16080387.8700 16309948.2800 TG(19:0_18:1_18:1)+NH4 TG 18:1_18:1_19:0 65932423.2200 54153959.1100 68158761.4700 57411421.5400 73796964.0600 85112323.0200 71790150.7400 83497155.3000 98060343.7000 64132111.5100 TG(19:0_18:1_20:1)+NH4 TG 18:1_19:0_20:1 78993456.0400 65593915.9000 65196318.6600 69194822.5700 76736899.8000 97423644.0200 167202921.8000 93131410.6700 231642316.3000 78594657.3100 TG(19:0_6:0_11:4)+H TG 6:0_11:4_19:0* 126783148.6000 103006628 91467375 102902069.9000 101274985.3000 110602548.5000 110318530.3000 114545212.4000 107605114.7000 84572805.6200 TG(19:1_11:3_22:4)+H TG 11:3_19:1_22:4* 34576640.7800 37399002.9900 79539348.4200 27577677.8400 34589125.0900 47626457.1100 41496568.2200 43363929.2700 65306890.7700 29279317.7000 TG(19:1_18:1_18:1)+NH4 TG 18:1_18:1_19:1 2522822614 2309032317 2510616745 2376722478 2340086412 2659579975 2150297881 2676827704 2825827905 2279667478 TG(19:1_18:1_18:2)+NH4 TG 18:1_18:2_19:1 496136465.2000 528636207.2000 567234149.8000 542385357 474252109.5000 534239501 542115387 582241530 661743406.3000 545065118.7000 TG(19:1_18:1_20:1)+NH4 TG 18:1_19:1_20:1 877788840.3000 791113067.7000 811377065 776510257.8000 807640044.8000 867256956 637551202.6000 825061734.7000 825371707.4000 687381129 TG(19:1_18:1_20:2)+NH4 TG 18:1_19:1_20:2 380982621.3000 354291009.2000 382371569.7000 361778641.7000 361827248.9000 358000706.8000 280986289.3000 338999119.2000 367429367.5000 306613437.6000 TG(19:1_18:1_20:3)+NH4 TG 18:1_19:1_20:3 14894191.7600 20304605.5700 18730584.8700 20043201.6000 21900990.1900 22666337.6200 18005836.4300 25710088.0800 26896666.7000 21426674.2500 TG(19:1_18:1_20:4)+NH4 TG 18:1_19:1_20:4 3120755.1030 2753444.9500 1776362.5420 4402182.0520 4583334.7640 708446.4626 3307621.6520 2187617.8850 2972325.0800 1606421.5890 TG(19:1_18:1_22:2)+NH4 TG 18:1_19:1_22:2* 47089634.5600 37840490.3300 39829793.0200 43438833.4300 46007405.4500 44918092.4800 40016576.2900 42148365.2500 47499781.4000 41045745.8600 TG(19:1_18:1_22:3)+NH4 TG 18:1_19:1_22:3* 61547572.0900 43925151.6000 46311421.5100 43291590.7600 54611745.5100 44707262.2000 36552419.4500 39420453.0200 48662250.2500 38007108.3700 TG(19:1_18:1_22:4)+NH4 TG 18:1_19:1_22:4 12945846.7400 11606789.2400 9988379.9540 12361113.6400 16839401.6900 28682590.7600 9272167.6420 19528258.4300 19192651.3600 11909971.6300 TG(19:1_18:1_22:5)+NH4 TG 18:1_19:1_22:5 24434070.2700 53196736.4100 4311868.1070 58022055.3100 25681176.4200 37849450.8900 19918176.1200 38056012.0100 42579462.4700 45221831.7700 TG(19:1_18:1_22:6)+NH4 TG 18:1_19:1_22:6 46122875.7400 52505212.7200 47700519.9700 50766964.2300 50680642.0800 77360140.2300 69743140.1500 85275624.1800 85645041.0100 65664197.8900 TG(19:1_20:1_22:6)+NH4 TG 19:1_20:1_22:6* 10732142.8800 7833451.5370 11717298.3800 10187505.7400 6755387.4020 12050565.0400 8424442.7320 12416493.2500 8887294.2140 8237920.6690 TG(20:0_13:0_22:5)+NH4 TG 13:0_20:0_22:5 4142295.5750 3534607.5970 2117146.6790 1994318.9340 3320197.8220 5275057.7990 4983728.0250 4687467.1530 3862312.6580 2737542.1000 TG(20:0_18:1_18:1)+NH4 TG 18:1_18:1_20:0 124593884.9000 57742799.6400 67699581.7800 115155978.1000 96290656.5900 144123767.8000 138836658.4000 158858868.4000 168561194.1000 146699066.4000 TG(20:1_18:1_18:1)+NH4 TG 18:1_18:1_20:1 5917283962 5635001161 5810360298 5534311256 5973468015 5818682796 4796405698 6105245460 6216584180 5403552851 TG(20:1_18:1_20:1)+NH4 TG 18:1_20:1_20:1 21613458.1700 100903755.4000 81563969.3900 123945970 66850620.4100 109381509 107139243.8000 36823201.5600 86542235.2100 29883161.1000 TG(20:1_18:1_22:3)+NH4 TG 18:1_20:1_22:3 229957990.3000 195722685 216099660.3000 189662264 211530180.3000 207452192.6000 166700074.9000 195098396.3000 200565163.6000 171614156.6000 TG(20:1_18:1_22:4)+NH4 TG 18:1_20:1_22:4 279754004.2000 255430628.3000 268950607.4000 247082470.7000 238193176.2000 326541028.5000 265253776.1000 337107593.4000 329250502.7000 267310192.6000 TG(20:1_18:1_22:5)+NH4 TG 18:1_20:1_22:5 164322320.1000 72905684.5600 48989059.7900 83699111.8100 127571484.5000 98306791.3800 90850171.3700 96988146.3600 104583558.2000 75464299.1800 TG(20:1_18:1_22:6)+H TG 18:1_20:1_22:6 36110988.7600 27442657.9300 35874523.3100 30894962.3200 35122684.3400 37628572.2500 32788984.8600 33221379.2100 27190762.4900 33922273.0600 TG(20:1_18:1_22:6)+NH4 TG 18:1_20:1_22:6 147266019.7000 150114762.8000 173163104.5000 150449589 157748954.8000 184084469.4000 208253087.8000 248109163.8000 244422450.3000 211331270.4000 TG(20:1_22:5_22:6)+NH4 TG 20:1_22:5_22:6 9762750.5150 6270216.2810 7679499.9830 5063306.7970 8140678.7190 28499981.3900 13182539.7800 27935781.9700 24354439.4600 13825472.8700 TG(20:1_22:5_24:2)+NH4 TG 20:1_22:5_24:2* 13928493.5900 6646583.8770 11034835.5900 10686254.5500 25407152.8900 30594890.3600 20584826.4100 40995277.6000 26671062.4200 28940062.8800 TG(20:1e_11:1_11:1)+Na TG O-20:1_11:1_11:1* 32094662.5200 33379210.1500 30391138.0100 34915309.4300 30048371.1500 18831740.9200 15950718.6000 20642600.7700 21037937.9000 14498593.0700 TG(20:1e_11:4_18:1)+H TG O-20:1_11:4_18:1* 1331381476 1518239485 1277213211 1199950817 1329095373 1732990410 1745006021 1723318856 2078894630 1281238072 TG(20:1e_18:1_22:5)+NH4 TG O-20:1_18:1_22:5* 14834774.0500 34165211.7900 36908624.9700 41759847.4500 11032370.6300 42240585.5000 45580330.6300 49549544.9900 45962916.7700 42655241.1600 TG(20:1e_18:1_22:6)+NH4 TG O-20:1_18:1_22:6* 59160735.8300 58830315.1700 58160690.4900 62996145.8700 55716722.0300 71524076.9600 60434344.6900 79627234.2500 69831554.7400 61448651.9400 TG(20:2_20:2_22:3)+Na TG 20:2_20:2_22:3* 2198550.8970 1901905.8570 1615894.0380 1669760.3270 2519488.4680 4197817.5750 1803968.7810 2064667.8750 2776561.1760 2011996.7530 TG(20:2e_11:3_18:1)+H TG O-20:2_11:3_18:1* 15080868.2700 7927952.2630 994757.2414 9133954.1000 9230588.4990 31117051.8600 18928001.4500 35060861.9500 24114082 15373015.0500 TG(20:3e_11:2_22:5)+H TG O-20:3_11:2_22:5* 35469723.1100 35763831.8200 32743168.6700 36703593.9000 32391050.0100 20196479.1500 26822524.9800 25134916.4800 25256965.4900 23427444.2600 TG(20:3e_11:3_22:5)+H TG O-20:3_11:3_22:5* 55293650.4700 68259671.0400 68424056.9800 65982092.5300 63916901.7300 68650990.5900 63956905.2400 82023264.7700 79883620.8600 67452801.6000 TG(20:3e_12:3_22:5)+NH4 TG O-20:3_12:3_22:5* 6116454.1070 7387035.0510 1800602.4610 9235795.0350 3845273.2470 3682128.2710 2114275.0540 4837100.9950 1376260.7290 1883949.8080 TG(20:3e_17:0_18:1)+NH4 TG O-20:3_17:0_18:1* 19222085.9700 32516778.4900 14559225.7900 36282963.8700 15310301.4900 15053436.3900 23531198.5700 26645067.2300 13212302.6000 14086590.2100 TG(20:3e_17:0_18:4)+Na TG O-20:3_17:0_18:4* 15621184.9000 12209755.6200 17102471.0600 10842818.5900 17130402.8100 18043830.1700 21866492.3000 24130033.2900 22300433.0600 21536833.5600 TG(20:3e_18:1_22:6)+H TG O-20:3_18:1_22:6* 28205103.1400 21267870.0700 24630382.0500 24682860.0500 30439284.8100 18874185.5800 31189610.3100 35316865.2600 34481429.9600 31671001.6600 TG(20:4e_14:0_16:0)+NH4 TG O-20:4_14:0_16:0* 18482520.8600 14353208.7000 19117971.8700 17093001.4400 14416389.7800 20664840.1700 23561824.8900 25267384.1500 24486165.6200 19992884.2100 TG(20:4e_14:4_19:1)+Na TG O-20:4_14:4_19:1* 42897597.6300 49404954.6500 46912695.4700 47456356.4800 46164607.2100 67500836.6200 51280672.2600 72894888.5700 75092920.8900 49833129.4900 TG(20:4e_16:0_16:0)+NH4 TG O-20:4_16:0_16:0* 30320669.2900 30471366.5400 29850420.2100 16027769.1000 40751178.9100 32956467.3300 36138541.4600 34871654.5000 40662186.3200 35968908.3500 TG(20:4e_16:1_17:1)+NH4 TG O-20:4_16:1_17:1* 3098117.8170 1876978.5160 3525281.5560 622754.3948 4660578.4690 2238516.4690 5407047.5610 4833388.2950 6694662.0430 3619732.6940 TG(20:4e_17:0_18:1)+NH4 TG O-20:4_17:0_18:1* 477759.2183 654658.0860 1579903.1330 820104.8067 1006930.3360 916343.6001 3337247.6000 1017594.2590 529247.1904 954835.3915 TG(20:4e_17:1_18:1)+NH4 TG O-20:4_17:1_18:1* 8976357.9640 7445606.1450 8144092.4350 12509917.0400 8291992.5090 8646561.8130 7901506.3390 9390843.6600 7680953.9010 6382031.7900 TG(20:4e_18:1_19:0)+NH4 TG O-20:4_18:1_19:0* 17115613.1500 18251445.4800 18135641.8000 11539817.7000 15760379.3400 20422768.1400 13566408.3600 23084326.5900 20286110.6700 9807121.1580 TG(20:4e_18:1_19:1)+NH4 TG O-20:4_18:1_19:1* 23956577.1500 23643505.3400 13817778.9600 20451662.7900 23305802.4900 31686429.1800 21390873.6700 25842278.4000 33696918.4100 23996621.3000 TG(20:4e_18:1_21:1)+NH4 TG O-20:4_18:1_21:1* 3826479.0850 8117710.1850 4662051.5100 4483829.6130 11620909.7800 16882678.8900 14445106.0400 21850519.3200 13818272.3900 15598945.1100 TG(20:4e_18:1_22:6)+H TG O-20:4_18:1_22:6* 8583520.0880 8926993.0300 10430860.9100 10531260.5500 8898773.8590 12055213.7700 14305475.3100 13301720.4300 10896837.7800 13022973.2400 TG(20:4e_18:4_19:1)+Na TG O-20:4_18:4_19:1* 26378828.1000 18766686.9700 24156934.4100 29326981.6100 26370166.2500 22974700.3500 27661192.0900 24434805.2000 21233451.3700 32785323.9900 TG(20:4e_20:4_20:4)+H TG O-20:4_20:4_20:4* 13298892.6000 13597571.0200 15478851.5900 13458118.0300 13630482.0600 18594353.2600 16116687.6600 19138632.1600 16265070.4400 18708967.9600 TG(20:4e_21:1_21:1)+Na TG O-20:4_21:1_21:1* 22995311.2000 25534249.5200 24653167.4900 20333146.4200 23322968.8600 23486722.6500 18199877.7000 24010293.2000 23617185.2900 17228106.5600 TG(21:0_10:4_11:3)+H TG 10:4_11:3_21:0* 10406027.8000 11713020.3100 9600242.0590 10927110.8300 12190320.7600 10987195.3600 13132265.8600 15223559.7300 20835923.7600 334269713.4000 TG(22:5_18:2_18:2)+NH4 TG 18:2_18:2_22:5 4834433.7990 13933080.5700 11395584.8800 16281151.6000 8185528.5180 18610037.0200 25895781.8500 24022829.5300 21903289.2600 25026998.6900 TG(22:6_10:3_12:1)+NH4 TG 10:3_12:1_22:6* 6980357.4980 6103954.4660 6074482.7410 5734591.0030 6191897.9120 7422973.0630 9478851.7020 6381995.2920 10343208.7900 5243840.0970 TG(22:6_10:3_14:4)+Na TG 10:3_14:4_22:6* 985323.3174 1046194.4790 945264.6156 710490.0469 875923.6890 2449234.0030 2969658.8090 2331761.1300 2241023.4180 2194102.9840 TG(22:6_12:4_14:3)+Na TG 12:4_14:3_22:6* 24098995.0300 21191300.4700 17102090.0900 20958718.4300 24899247.8000 33527567.6800 50278948.4200 39632544.4400 47431867.3800 35592376.4200 TG(23:3)+NH4 TG 23:3* 6442600.9600 1148504.8070 2184432.7020 1326358.9280 5648334.1690 156798525.7000 18059541.7300 16115393.2200 56218428.2600 48400438.1100 TG(25:1_17:1_18:1)+NH4 TG 17:1_18:1_25:1* 112389806.8000 31696030.8600 25826283.5600 90378904.8200 91732224.8700 140851208.4000 96271544.1100 122184884.2000 112196410.5000 108155395 TG(27:0_11:1_11:2)+NH4 TG 11:1_11:2_27:0* 12377652.0400 13173619.4800 13015829.6500 12996850.9800 13430636.3100 23782371.9700 14838337.6700 21880831.6400 26202747.2800 16208663.9800 TG(27:1_17:1_18:1)+NH4 TG 17:1_18:1_27:1* 36146366.7300 9244226.3060 18228245.3900 23839498.7200 25625318.5200 64574387.5600 36939420.5600 18236020.6700 20203652.7200 22371009.1700 TG(27:1_8:0_14:4)+Na TG 8:0_14:4_27:1* 10477474.1000 10780170.8500 12009943.3000 14141993.7100 14835997.5200 14683188.7100 17600271.4400 15112300.6500 10236815.7000 13542426.9700 TG(29:0_11:1_22:6)+NH4 TG 11:1_22:6_29:0* 7029449.6130 3752267.4960 5724851.9310 5718904.4160 6654645.3840 10241823.8500 9675872.5570 8588075.3860 9916313.8340 8805633.3830 TG(29:1_10:4_11:3)+H TG 10:4_11:3_29:1* 49526706.4800 54684388.7700 38519097.5700 33772235.9000 51978505.6700 80937354.7800 69526135.4100 99594453.2900 107231125.9000 64575853.9300 TG(29:7)+Na TG 29:7* 1072247.9720 993324.1734 1436682.7760 2692140.2660 1001094.4140 797642.1318 1735005.3060 1163345.2850 1619447.2090 2063496.1300 TG(30:0_8:0_18:1)+NH4 TG 8:0_18:1_30:0* 87684263.4800 28369992.2400 78229138.3100 74158436.0700 82687493.9800 99494056.9200 67166802.5600 67350467.9000 74582651.8200 58116594.9900 TG(30:1_6:0_11:1)+NH4 TG 6:0_11:1_30:1* 24120929.4800 25630155.0200 23925738.8600 27199276.5200 22549628.7100 36959355.5600 30451026.2200 35329989.2600 44777129.3400 25799049.7600 TG(30:2)+H TG 30:2* 1988782.8970 1316924.3690 2504034.1770 1999115.4630 2741887.7440 1265423.2880 3932070.3770 3321686.7270 3734601.4410 1626861.4830 TG(31:7)+NH4 TG 31:7* 2457681.3500 12688901.7700 8891398.3960 5096543.8930 4677336.6210 4396588.6930 2733537.1470 7299834.0640 842215.0009 6414333.0910 TG(34:3e)+H TG O-34:3* 8392148.3160 19305430.7400 10458620.1900 9814316.9750 17965960.9300 15011304.1300 25471610.2100 37898761.4800 13243400.7400 19072193.6200 TG(34:9)+Na TG 34:9* 3987245.8120 5340871.9090 3018523.3210 2354619.4350 3167552.4340 6175147.0320 7164346.9870 5557947.8770 3860250.5570 3370515.7230 TG(37:10e)+Na TG O-37:10* 9272455.1710 10037074.8200 7873564.6480 7991400.2020 9088765.2070 10058429.2700 9705060.7830 12417384.5900 17090800.5400 9484331.9760 TG(37:1)+H TG 37:1 92526943.2500 114320315.5000 73206187.1200 95623421.8500 102819918.1000 9440870.1820 14062950.1300 17190127.9900 11977490.2400 8903150.6530 TG(38:10)+NH4 TG 38:10* 406878.2601 4742412.4660 654463.5532 7004520.1620 1146821.8030 946297.3895 6975246.5480 11083.1727 45898.6304 3159680.2980 TG(38:7)+Na TG 38:7* 3413309.1210 3081775.6080 2842388.4500 2651737.2070 3863981.6880 3834011.5720 4946143.3950 3995084.2220 5014311.3970 2763873.2400 TG(40:10)+Na TG 40:10 1359611.8360 905905.7754 806984.7953 969692.0750 1184343.2310 1454632.8300 1820459.9600 1377591.1430 1567772.3700 954340.7720 TG(4:0_11:0_12:3)+H TG 4:0_11:0_12:3* 3452383.1130 979295.9605 597316.6522 668660.2725 1154800.8540 1579504.5940 2121983.3120 1505395.9540 1483533.7880 1327503.8070 TG(4:0_11:4_15:0)+H TG 4:0_11:4_15:0* 7661925.2230 5430357.3600 12373107.4800 10779729.4400 12483800.0300 14332475.4000 16525044.4700 13871511.3700 14054043.8200 12342705.1200 TG(4:0_16:0_18:4)+NH4 TG 4:0_16:0_18:4* 78120024.5400 61999088.9900 54423213.0900 67302335.1100 64094943.5700 94093727.6100 102272767.8000 98159437.3000 91859741.3300 74480642.6100 TG(40:4e)+Na TG O-40:4* 11559776.0200 8727310.7540 12473519.4300 12498793.9500 11759964.1600 6771242.3140 7026014.6550 9106985.6810 11263584.9100 6024973.4490 TG(4:0_8:0_10:1)+NH4 TG 4:0_8:0_10:1* 6470585.9520 4762581.7210 4974900.2750 4511876.3520 5042849.2220 6184741.2420 6005148.6690 4211055.5140 7760504.5530 5987240.1390 TG(41:12e)+Na TG O-41:12* 4225715.3520 8309201.2130 6999400.5920 12739080.9900 5122891.5550 6210537.2630 12841881.3300 8119921.9910 11884652.6700 9001378.5600 TG(41:5)+NH4 TG 41:5 7047260.3450 1790390.5450 3381549.5380 6974855.1890 5371370.6890 22393558.8100 26447692.9800 20229753.3700 32771785.8300 24048637.6100 TG(42:10e)+Na TG O-42:10* 935054.1396 7978392.1710 4547114.9090 6422307.1960 3386455.0660 2113123.1540 6802450.5610 2002353.7070 2198032.8240 5285578.7340 TG(42:11)+Na TG 42:11* 2743497.6710 2313235.0210 1958725.4710 1962949.6620 2723176.2300 2814835.5170 4197204.6950 3434473.6350 3641597.9470 2194181.8610 TG(42:12)+Na TG 42:12* 2078846.5610 1465583.3340 1689484.0810 985703.0613 2278622.7930 1880065.3270 2059391.1940 1604649.9260 2245777.1580 926651.0934 TG(42:2e)+NH4 TG O-42:2* 14032579.9200 10644570.8400 10968784.9900 11580902.8500 9830338.2310 7375713.7900 7035918.4850 7882832.3900 6910221.4420 5546056.5870 TG(42:8)+NH4 TG 42:8* 4905642.1400 3067518.0200 3437352.2500 4529345.1230 5047841.0220 3775506.4060 2854991.2810 3468765.6370 4724082.2150 2468149.2540 TG(42:9e)+Na TG O-42:9* 1253777.4050 2361269.9400 1348274.1650 663007.4799 1402538.2960 4394548.3000 1222892.3980 2608148.9080 1237929.5750 1346794.8700 TG(42:9)+NH4 TG 42:9* 25469504.1100 19999957.3800 17168812.5500 18651734.2600 20330496.6200 17842919.4600 19380571.2700 22298030.3600 29320353.6600 18403822.0800 TG(44:12)+NH4 TG 44:12* 2524140.1720 5353792.8320 4220966.2200 3894861.6500 3782296.5140 2641404.3570 6883856.5440 3468219.6060 8292234.1000 3584803.7550 TG(44:3e)+NH4 TG O-44:3* 7891025.4610 6010426.8150 6526786.2340 6380197.5330 7666586.0390 4421234.9630 3939743.3820 3529260.5700 4717515.6750 3588268.4750 TG(44:8)+NH4 TG 44:8 14732519.8600 12887418.7600 10779886.0800 10950603.7100 12042743.1500 11103699.9900 8321066.2670 15989886.2100 12670874.8500 5642269.8130 TG(44:9)+NH4 TG 44:9 22144323.6600 25799526.3300 21995421.5800 22820408.9100 23151478.4400 15116537.1900 17300213.8200 23497364.0700 27170962.0200 14622222.6800 TG(45:9)+H TG 45:9* 66010143.0300 94918958.9200 31378992.0700 33719312.7000 40407026.1900 120822364.1000 100538772.9000 121840187.6000 165466502.8000 78103604.0100 TG(45:9)+NH4 TG 45:9* 19153534.4000 29018384.2700 24467050.3200 34006613.3700 23477366.5600 30396456.9700 25103340.1300 29216898.1200 45003510.6100 24824234.2800 TG(46:11)+NH4 TG 46:11* 8425914.9470 7974937.0610 8121259.9320 7327045.8570 9109554.5810 11540907.0800 13069082.5800 9286668.2270 14549156.7600 7753401.2240 TG(46:6e)+H TG O-46:6* 16565595.5900 18145093.8100 16984368.2500 15498483.3800 14946752.4400 11592700.5600 10721765.9100 11534880.3200 11179029.1000 9038180.8290 TG(46:9e)+Na TG O-46:9* 3023184.0150 5879888.4500 2913355.7160 2996011.4590 1952722.1210 5194098.0910 1927151.2460 2947710.7110 1190627.8390 2167662.3170 TG(48:12e)+H TG O-48:12* 2743571.5450 5220888.9980 2503074.4570 2645458.3040 1906055.6300 5052171.4230 1736480.0850 2866120.0040 1147450.4910 2025306.1250 TG(54:1)+NH4 TG 54:1 72546486.7700 63521917.4400 66051162.8600 54472524.6900 56276069.8400 65638761.2300 60002342.9900 59933232.8300 62947791.9300 57569332.8900 TG(55:10e)+Na TG O-55:10* 15000738.9300 22838355.6000 19460347.9700 22320833.2900 18759719.7500 18553680.7200 23407997.7700 23903587.4000 33313846.4500 29525179.8400 TG(56:9)+NH4 TG 56:9 2523344.9770 1685166.9640 844885.2223 1095067.6330 2426025.9170 2684179.3420 1134095.2520 4564544.9210 6312877.8740 1902353.6160 TG(6:0_10:2_12:0)+NH4 TG 6:0_10:2_12:0* 1429558.7750 1417005.1250 1349437.3460 1200335.2690 1417100.5520 1804603.1050 2152792.7400 1415547.0210 2282249.3080 1375683.4670 TG(6:0_10:3_10:4)+NH4 TG 6:0_10:3_10:4* 1072486999 1214476423 875943444.8000 641283069.9000 744047409 1011333977 1119083876 1195036661 713990207.5000 850545119.3000 TG(6:0_10:4_12:3)+NH4 TG 6:0_10:4_12:3* 1660182967 1920261231 1620514573 1119605165 1280992764 1644468214 1820206769 1990363915 1088268511 1438106185 TG(6:0_14:2_14:2)+NH4 TG 6:0_14:2_14:2* 22417660.1400 16009096.4600 14606053.9000 19767700.6400 21892780.4100 22962920.0600 29613961.4300 33614167.8300 40143440.9500 28576753.2000 TG(60:4)+NH4 TG 60:4 21248757.4800 17671472.7000 17967112.3800 19691864.8400 17991176.3400 25652180.9100 20283823.0100 26292760.9700 25198724.0700 20531580.8600 TG(6:0_6:0_11:4)+NH4 TG 6:0_6:0_11:4* 677567.2380 190441.2996 585388.0192 25669104.4900 211211.0629 111238937 42434263.3400 2758325.9000 67085291.7900 110352293.3000 TG(6:0_8:0_10:4)+Na TG 6:0_8:0_10:4* 821079237.6000 821620043.1000 657173226.4000 474539371.2000 594665709.1000 853174405.1000 876123602.2000 918759581 549304810.8000 623494884.7000 TG(8:0_10:3_10:4)+NH4 TG 8:0_10:3_10:4* 357580.1440 332712.9267 180421.9276 212320.2239 258876.1527 471173.4855 236551.7890 64787.7190 69271.7882 116018.5666 TG(8:0_10:4_12:3)+NH4 TG 8:0_10:4_12:3* 40177294.3500 52392476.2700 52424494.4700 29971893.5200 31989767.8400 32627019.8500 38020728.7000 48878091.1800 23911844.8100 44744534.6600 TG(9:0_10:3_10:4)+NH4 TG 9:0_10:3_10:4* 11084351.6300 10089525.7600 11716548.1600 5495067.3040 10012995.9600 12280137.7600 4556652.4460 13633101.7600 8533098.0580 3335576.1870 TG(9:0_14:1_14:1)+H TG 9:0_14:1_14:1* 14036286.9800 16571750.9600 13924352.3000 15488673.5400 13537806.5400 6163076.0120 8230104.6320 9648226.9750 2467730.4690 7344872.9060 Thalsimine 21598.5787 12059.0279 6329.8093 14605.2258 15319.0647 6017.2833 6116.0852 14745.9721 14967.8763 16940.1607 Thapsigargin Thapsigargin 2678.3703 3014.7095 2521.4012 5089.9979 4279.7690 3318.7430 2993.6594 2452.6883 4392.7249 3865.5725 Theanine N(5)-Ethyl-glutamine 3720.4541 3951.2136 8053.1640 2498.0208 3422.5674 2992.0700 2897.9218 1385.1083 3287.3151 3673.0105 Theobromine Theobromine 15739.6963 23223.5878 29981.6382 696.5740 9324.3131 9413.3687 23235.3229 18967.0351 21780.3845 25398.6848 Thiamine Thiamine 551253.5144 671250.0061 759206.2864 430585.4698 528939.9170 2335998.0580 607255.5669 644355.7770 666890.6792 710630.4089 Thiazolidine-4-carboxylic acid 56901.5134 71172.3778 120520.3793 22212.5599 42727.2975 161581.9752 132838.8842 121695.5314 121682.8919 101287.8286 Thiodiglycol Thiodiglycol 393.9908 971.5288 1945.6720 346.4155 620.1771 4259.0378 1879.8891 931.3094 1574.2156 994.4835 Thioetheramide-PC Thioetheramide PC 115336.8036 328165.1383 185176.9298 106059.5576 486649.6278 214325.1670 703531.2321 224350.7962 649720.5742 340343.0710 Thr-His Thr-His 22264.5060 15128.9224 13337.8316 12465.0815 14203.0693 16913.8206 18418.1991 20410.8648 20972.2813 24679.0975 Thr-Tyr-Arg Thr-Tyr-Arg 16992.2831 16737.8766 10786.0515 14319.2992 11000.8710 19218.3956 22480.8260 13688.0235 20092.8184 19813.7763 Tilmicosin 8540.0655 5159.3432 6938.9512 4635.3611 4008.2094 5672.2380 30199.1082 8136.3716 7463.8959 6735.9793 Tozasertib 9185.8829 9176.5152 7589.6586 7085.5752 8772.6334 7935.3323 41901.2548 10611.4299 9898.7507 10016.4906 trans-2-Hydroxycinnamic acid trans-o-Coumaric acid 6222.6644 6811.8436 10062.7897 6830.0679 8861.7396 8917.5432 10199.5145 12729.8857 9768.7361 11448.0683 Trans-4-(aminomethyl)cyclohexanecarboxylic acid Tranexamic acid 22857.8684 29782.2313 22737.6812 23100.4566 23273.5142 24636.5876 19175.3993 22448.6627 23733.3118 23823.2414 Trans-cinnamic acid trans-Cinnamic acid 22548.3689 43719.8339 102359.9579 26044.7948 10952.7971 169586.8822 159645.3297 79332.1131 88196.8408 80100.6179 Trehalose Trehalose 20381.1230 18874.2633 15076.3294 17239.5136 34563.4251 19484.3694 15259.1092 12942.7837 25118.1226 13531.6511 Tri(3-chloropropyl) phosphate 6309.7125 10925.6111 13726.2297 2583.4440 2767.2674 18819.9381 8840.0404 5222.6742 4041.4698 5267.7575 Trichothecine 5940.7015 4485.7473 5944.0387 5359.4307 3600.0458 14120.4152 29855.5308 11009.6486 5729.6021 4519.2244 Tridemorph Tridemorph 21463.8912 22919.5101 24263.3768 15618.3890 24564.0983 29362.9619 27869.2640 21655.3557 19577.8642 20376.1285 Triethanolamine Triethanolamine 40899.3620 44992.8588 42261.6280 35062.7153 23994.4773 26985.7641 67293.4245 58352.4658 62451.8677 89706.4196 Triethylene glycol 78727.5172 87080.1254 78407.4428 58412.8688 53696.7290 63843.4397 67875.9954 74208.5458 56454.9382 89179.9451 Trigonelline Trigonelline 9849.3051 14928.8003 35935.9526 5321.8443 6666.3057 5092.7795 166833.7375 49011.1773 49782.1018 57445.8660 Trimethylamine Trimethylamine 36436.1052 17418.9622 30563.1547 29275.7343 27696.6029 15359.9614 20228.5919 35655.2130 37432.8385 27158.0928 Trinexapac-ethyl 5679.8624 6756.7330 7248.8849 6555.1191 7447.6693 3707.0175 9586.4310 11166.3576 6438.0873 7879.6199 Trioxsalen 6307.0371 7081.0920 7915.7050 6062.8547 8013.4034 8012.3760 11530.8492 9034.5158 9799.1677 9928.4470 Trp-Asp-Arg Trp-Asp-Arg 23926.5723 22616.3152 23228.6551 21947.8669 23570.1298 18397.4326 33439.6792 22460.2692 24022.7696 21579.8059 Trp-Gln-Lys Trp-Gln-Lys 16335.3201 11839.7400 14984.4030 7071.8101 7667.1098 16198.0732 19483.2209 14863.7485 13824.8448 16676.4243 Trp-Glu-Arg Trp-Glu-Arg 130889.2123 133887.3190 135446.1571 115764.7125 147757.6736 101940.8181 110370.1958 149820.5441 150899.9293 174773.9053 Trp-Ile Trp-Ile 3967.8021 4714.7812 4019.7241 3724.6711 2896.0146 5599.6139 8869.5278 8430.1580 8509.4062 8805.0241 Trp-Ile-Lys Trp-Ile-Lys 44074.9936 59199.6313 45730.8040 31732.7143 38730.9921 61876.6319 98101.0003 73564.8912 62628.1613 80020.0716 Trp-Met-Arg Trp-Met-Arg 41966.0727 41211.0181 43760.6635 42471.8505 46801.0788 44214.4166 46415.1134 48466.1480 50615.5145 50223.2237 Trp-Thr Trp-Thr 2116.6575 1823.8751 1703.3768 2839.3988 3453.3926 1804.4708 3154.1353 3294.2237 3091.0092 3877.8404 Trp-Tyr-Lys Trp-Tyr-Lys 8013.7380 7478.6509 7709.5233 7761.8966 7228.6813 6645.1415 7760.7720 8272.9483 9816.5478 11486.3553 Tuberostemonine 2716674.8570 2592691.5370 4490748.1830 2629451.5460 3558808.1720 3505136.6570 3357912.1060 2769053.1750 2317540.7010 2574999.9050 Tyr-Ala Tyr-Ala 63460.1767 46141.7064 56160.9340 86563.1870 46928.3778 48733.7237 12002.3421 16905.1274 15888.6774 13013.4206 Tyr-Asp Tyr-Asp 42518.5210 34912.8745 24619.8502 3080.7690 837.4049 8548.6680 9021.1970 11088.3856 5997.4007 1246.0294 Tyr-Cys Tyr-Cys 27437.8788 28385.7326 29909.5828 25037.9832 30239.8302 43291.8588 57047.9573 62487.8071 64201.6311 70732.3110 Tyr-Ile Tyr-Ile 19135.7941 19225.3604 19629.7370 17812.6083 20606.5092 25289.5706 39526.0160 37986.6838 31753.1159 41020.3777 Tyr-Leu-Lys Tyr-Leu-Lys 4206.4985 7364.4770 7940.2233 7567.3711 9038.3369 8688.6832 9371.2977 9713.9818 12273.1965 10358.3719 Tyr-Met Tyr-Met 7221.6854 13262.5074 13201.1360 12917.6277 16478.2801 8843.9085 20955.3704 17784.6647 17218.2235 19064.9325 Tyr-Thr Tyr-Thr 21368.5233 26724.3390 38039.9133 5722.5977 16199.7939 43638.9016 38873.5228 23014.3533 23789.3901 23816.8634 Tyr-Trp Tyr-Trp 2994.4443 3455.8203 3729.6333 3200.9626 2902.4944 4977.1054 7538.1963 6120.0168 5173.0476 7001.5087 Tyr-Tyr Tyr-Tyr 8326.8791 5362.7452 4831.2381 6072.4951 6493.3493 2186.7536 7146.1728 12355.5812 11394.8838 11525.6760 Tyr-Val-Lys Tyr-Val-Lys 6954.2746 12458.7485 9349.7053 6966.5445 4020.5734 21011.7942 28226.4474 17116.9550 24214.5245 7085.0014 UDP-D-Galactose UDP-galactose 183615.1144 199872.9105 149523.5367 178827.2721 190718.8299 195042.5451 207016.6942 238913.2810 220625.6691 229515.8624 Udp-galactose UDP-galactose 70286.0719 74868.3323 64580.2510 71453.7769 72345.3681 72952.6361 77494.9820 89234.3299 89450.9027 87975.3988 Uracil Uracil 104853.5387 99105.6025 116601.9223 202834.0943 106767.8064 31527.0076 34211.2665 49796.1616 73539.7246 23062.7697 Urea Urea 194559.4574 178571.6084 179559.1657 183899.3525 182955.7365 126077.3002 131672.4896 174167.2314 102781.5980 176438.0363 Uridine 5^-monophosphate (UMP) UMP 7438.9244 7096.0566 8175.8572 8323.1531 8103.4006 9245.3191 10260.5929 8866.4695 11126.9272 14189.6533 Val-Ala-Lys Val-Ala-Lys 2423.4700 2064.3711 1435.6871 5518.3146 2595.4515 2262.9666 9744.5926 3999.3156 8150.9867 3882.0657 Val-Asp-Arg Val-Asp-Arg 10782.6213 14505.6562 18966.3534 9029.4456 15532.9273 10021.7873 20496.4480 18897.5507 10553.2713 18189.0787 Valinomycin 19695.7202 12749.7102 13858.5785 15495.5259 14612.7159 10662.0832 26775.0734 24651.3825 24905.6841 13939.1313 Val-Trp Val-Trp 3354.4431 3272.2399 4078.6698 2653.6380 3557.7477 3735.7210 7243.5120 5523.4863 6383.4277 5228.9237 Val-Val Val-Val 7291.3135 6281.6484 7645.0400 4420.3113 5421.4406 5729.5104 22006.7120 10730.4045 10446.0263 11649.5107 Veratramine Veratramine 258.1103 455.5225 564.2970 478.4131 101.0682 534.9355 619.2872 747.8878 373.2419 335.6515 Virginiamycin component a 3629.5358 4520.0365 3937.6356 3853.3357 3498.1074 6748.7191 12414.9121 10708.4379 5680.9387 7117.1830 Vitamin k1 2_3-epoxide 3178.8997 9078.3224 5672.0023 2855.1997 5544.3251 5317.7721 5342.4940 5289.6775 4752.8439 7996.5433 WE(12:0_18:1)+NH4 4734069.2730 2772602.5260 2849683.3320 3097580.3760 2772211.3620 3550552.4250 5243519.7890 3607714.6910 4384215.1740 3188451.0480 WE(17:0_16:3)+NH4 81124474.3200 72088298.1700 75056249.4300 78130510.4300 82036430.6900 124107158.4000 102648586.7000 114460852 116021504.5000 82708535.4600 WE(2:0_14:2)+NH4 3838222.7370 3298777.0980 3049351.0630 4411005.9250 2060679.0940 3756153.0490 5057415.3490 1404006.4870 2997561.1820 3253221.1550 WE(2:0_16:2)+NH4 66471996.6300 68685246.8400 33953303.8100 59369464.1500 63850197.0100 85378509.7600 100113439.6000 78004438.8900 74035301.0100 56376115.8800 WE(2:0_16:3)+H 5944838.9120 5921061.2250 13369692.3500 4762915.3700 5306716.1340 7587128.8570 760563.9382 3809067.6600 23928912.4700 333709.8145 WE(2:0_16:3)+NH4 66340409.2600 72650862.0500 57519692.4800 72913835.5300 73704638.7900 97074650.5000 78850712.1200 93449052.5400 67128069.9200 79382508.8800 WE(2:0_16:4)+H 2009387.7150 1026600.4660 923511.4689 932641.8320 871671.1571 2553603.3220 2575306.4500 2791084.4470 1213542.8840 1988363.0650 WE(2:0_16:4)+NH4 19216778.0900 8338380.0550 8683431.4290 6882066.6490 11872104.1400 25566407.7900 11433262.2600 12455963.7900 8426240.5830 12010915.0400 WE(2:0_18:1)+NH4 14866908.8900 11434352.0300 11064485.1000 10663238.5700 11899929.4500 21976147.9800 15317526.1200 13476882.0900 22797401.8400 15843995.3200 WE(2:0_18:2)+NH4 8156121.0110 5943475.9060 6182323.8700 3326549.5810 8068350.2820 6991610.4780 6028624.5050 8318130.7390 6714601.0190 4209614.8170 WE(2:0_20:2)+NH4 33578735.0300 21458619.3600 27025177.9900 20927026.9300 30529393.5400 37183177.2300 32196327.5900 38590957.4700 32596757.8400 21531525.0400 WE(2:0_22:2)+NH4 1816312.6980 1662491.9260 1542189.8400 1701528.3320 1586776.7130 2068903.4310 2049164.4850 1908257.5580 1615433.6650 1360765.6160 WE(21:0_17:3)+NH4 4413561.5590 689069.3301 3096270.1530 3079306.4890 2940725.1090 478501.9165 5261724.3770 1972364.3540 9004884.4570 4202636.9240 WE(21:0_17:4)+NH4 33399369.6600 35113445.1400 45514799.6600 43243353.3100 36379865.5000 43505889.1900 52713915.9800 48811232.3100 68621333.9000 44327606.9000 WE(23:0_17:3)+NH4 137555608.4000 134040413.4000 114239884.7000 118392125.5000 127710019.4000 159871945 127081373.8000 160606680.3000 156808378.1000 125255227.3000 WE(23:1_19:3)+NH4 526708244.9000 522408969.9000 545469383.4000 492548917 475731471.4000 777941342.1000 694681267.6000 697424062 977766796.5000 624281954.9000 WE(24:6_15:2)+NH4 3816758.6720 3724826.7410 3576053.2380 3285549.5850 4167306.8040 5552882.0430 3904054.2740 4585615.6610 5476712.0660 4216107.7050 WE(26:6_21:3)+NH4 7652336.6160 8398996.3070 7020010.7200 7726321.6330 8173627.7640 5461516.2910 6894664.3950 8347302.7190 7548527.2140 5194875.0850 WE(27:5_20:4)+H 224732648.3000 184706571.7000 197553680.2000 209454305.1000 218298621.6000 244825330 280210674.4000 292508717.6000 304175068.8000 301768525.6000 WE(27:5_22:5)+H 13170884.8800 10809867.8500 16397837.6400 13280488.6500 15295728.4200 13455911.3000 16420995.8900 11574710.1500 14622733.0500 17846117.8300 WE(3:0_16:0)+NH4 1469538.8090 1017177.8700 1205929.7960 1003011.3560 721318.3241 875775.4033 971036.9795 582343.9428 490422.5708 381875.6643 WE(34:3)+NH4 WE 34:3* 1113774035 1075079234 1070806999 1169300507 1095405544 1762117995 1576754808 1604750490 1700905669 1492029226 WE(4:0_14:1)+H 11275447.9500 9033310.0970 8152775.9320 12901911.2900 8323838.4210 16404553.2500 19716204.2100 10331777.8000 8843122.9110 10527736.1800 WE(47:7)+NH4 WE 47:7* 1454081.9170 1197585.9530 2413124.8230 900640.6446 1026106.2930 163345.4964 313801.5376 647268.0240 12618104.6600 298347.9407 WE(49:11)+H WE 49:11* 48119291.3100 42843002.0600 53028446.0300 49107991.1500 47262325.9900 33008187.0100 48725168.4000 38856586.3200 44336757.8700 35934708.1300 WE(6:0_16:3)+NH4 30318159.2400 39712537.0900 42555854.8600 47218233.7700 28147625.0100 32385380.4100 32832117.6700 46721158.1700 30622359.5000 18871568.1600 Withaferin a 22141.6970 25996.3912 21819.2011 24972.7703 23393.7314 25252.1631 34628.8783 36062.2999 28794.6597 28826.8862 Wortmannin Wortmannin 55967.4869 58782.5273 72909.7287 56129.8812 71009.0956 45727.6616 58055.1381 56059.9889 63951.1636 70369.0552 ZyE(18:0)+H 50554020.8000 43808149.7300 46004039.4500 49596052.3800 46988343.6200 51357840.7700 45544324.1900 52322474.5700 50016059.0200 43420487.5600 ZyE(18:1)+H 16293149.5700 13963393.2200 13904107.7400 16663462.4600 13897339.1300 12144650.7300 8599369.5400 8950200.1880 13535613.9400 12555191.1100 ZyE(19:1)+H 11520500.3800 18086167.4800 18011598.6100 11914650.3200 16528818.4600 16642972.6600 13886759.4900 14384793.9500 15948671.5300 12948649.6100 ZyE(20:4)+H 211590557.8000 194870698 229627657.6000 211932414 208828020.1000 172364789.1000 219735686.9000 209962457.3000 232843396.7000 204202366.8000 ZyE(20:4)+NH4 11152541.8900 12319802.0700 11578088.5500 12989052.3600 12696097.7800 11699754.5500 9078455.3460 14363714.1300 13204335.6400 8682754.7280 ZyE(22:6)+H 4790819.4520 6593089.5610 7530697.3200 5410308.3940 5529214.4250 15526429.1500 11974600.6700 15006778.8000 15569064.7600 15300130.7900 ZyE(24:7)+H 3509096088 4481124900 3558450408 4243657641 4829526134 3910739761 3751235649 4501738853 4635094343 2562165457