Metabolite_name RefMet_name mx626289_OzAW_BR1 mx626289_OzAW_BR2 mx626289_OzAW_BR3 mx626289_OzAW_BR4 mx626289_OzAW_BR5 mx626289_OzAW_BR6 mx626289_OzAW_BR7 mx626289_OzAW_73 mx626289_OzAW_74 mx626289_OzAW_75 mx626289_OzAW_76 mx626289_OzAW_77 mx626289_OzAW_78 mx626289_OzAW_79 mx626289_OzAW_80 mx626289_OzAW_65 mx626289_OzAW_66 mx626289_OzAW_67 mx626289_OzAW_68 mx626289_OzAW_69 mx626289_OzAW_70 mx626289_OzAW_71 mx626289_OzAW_72 mx626289_OzAW_89 mx626289_OzAW_90 mx626289_OzAW_91 mx626289_OzAW_92 mx626289_OzAW_93 mx626289_OzAW_94 mx626289_OzAW_95 mx626289_OzAW_96 mx626289_OzAW_81 mx626289_OzAW_82 mx626289_OzAW_83 mx626289_OzAW_84 mx626289_OzAW_85 mx626289_OzAW_86 mx626289_OzAW_87 mx626289_OzAW_88 mx626289_OzAW_MB01 mx626289_OzAW_MB02 mx626289_OzAW_MB03 mx626289_OzAW_MB04 mx626289_OzAW_MB05 mx626289_OzAW_MB06 mx626289_OzAW_MB07 mx626289_OzAW_P1 mx626289_OzAW_P2 mx626289_OzAW_P3 mx626289_OzAW_P4 mx626289_OzAW_P5 mx626289_OzAW_P6 mx626289_OzAW_P7 mx626289_OzAW_10 mx626289_OzAW_11 mx626289_OzAW_12 mx626289_OzAW_13 mx626289_OzAW_14 mx626289_OzAW_15 mx626289_OzAW_16 mx626289_OzAW_9 mx626289_OzAW_1 mx626289_OzAW_2 mx626289_OzAW_3 mx626289_OzAW_4 mx626289_OzAW_5 mx626289_OzAW_6 mx626289_OzAW_7 mx626289_OzAW_8 mx626289_OzAW_25 mx626289_OzAW_26 mx626289_OzAW_27 mx626289_OzAW_28 mx626289_OzAW_29 mx626289_OzAW_30 mx626289_OzAW_31 mx626289_OzAW_32 mx626289_OzAW_17 mx626289_OzAW_18 mx626289_OzAW_19 mx626289_OzAW_20 mx626289_OzAW_21 mx626289_OzAW_22 mx626289_OzAW_23 mx626289_OzAW_24 Factors - Factor:BR Factor:BR Factor:BR Factor:BR Factor:BR Factor:BR Factor:BR Factor:HFA_F Factor:HFA_F Factor:HFA_F Factor:HFA_F Factor:HFA_F Factor:HFA_F Factor:HFA_F Factor:HFA_F Factor:HFA_M Factor:HFA_M Factor:HFA_M Factor:HFA_M Factor:HFA_M Factor:HFA_M Factor:HFA_M Factor:HFA_M Factor:HO3_F Factor:HO3_F Factor:HO3_F Factor:HO3_F Factor:HO3_F Factor:HO3_F Factor:HO3_F Factor:HO3_F Factor:HO3_M Factor:HO3_M Factor:HO3_M Factor:HO3_M Factor:HO3_M Factor:HO3_M Factor:HO3_M Factor:HO3_M Factor:MB Factor:MB Factor:MB Factor:MB Factor:MB Factor:MB Factor:MB Factor:P Factor:P Factor:P Factor:P Factor:P Factor:P Factor:P Factor:SFA_F Factor:SFA_F Factor:SFA_F Factor:SFA_F Factor:SFA_F Factor:SFA_F Factor:SFA_F Factor:SFA_F Factor:SFA_M Factor:SFA_M Factor:SFA_M Factor:SFA_M Factor:SFA_M Factor:SFA_M Factor:SFA_M Factor:SFA_M Factor:SO3_F Factor:SO3_F Factor:SO3_F Factor:SO3_F Factor:SO3_F Factor:SO3_F Factor:SO3_F Factor:SO3_F Factor:SO3_M Factor:SO3_M Factor:SO3_M Factor:SO3_M Factor:SO3_M Factor:SO3_M Factor:SO3_M Factor:SO3_M 11-Hydroxyundecanoic acid 410514.8115 342724.9785 316419.7777 344029.0859 361617.5252 373290.8012 384407.5535 184933.0347 198358.9426 195574.5679 132232.6541 190086.9203 242976.0092 243852.6859 138968.0794 279089.6336 145174.4468 134657.2731 258992.3341 281774.5145 112756.4163 214772.3850 262381.0814 201879.2494 233842.1079 227549.3789 243491.5157 151354.3299 167382.7304 215571.0641 184178.9473 208490.4811 319655.4568 240515.0747 127754.6602 228483.0778 225301.7041 201751.3094 192540.4402 65139.5523 85906.6833 32237.6959 36879.1993 37976.6170 51029.4917 31576.6279 287036.8947 302386.4726 260322.1945 286701.2142 319351.6728 321295.9491 304003.2621 227544.4993 420926.6994 204495.0103 302315.2569 256966.8813 214489.8259 261155.1247 234756.4546 250476.4271 174631.4268 251536.5872 220574.3701 226269.7894 179693.5771 199581.6232 262462.7479 171562.7801 102719.9842 153461.9759 107044.5446 186258.8020 128612.2876 190911.3614 156943.1391 213139.4222 233623.1102 170394.2478 177216.4204 331048.3378 216387.9828 173721.5746 296635.2988 12R-Hydroxy-5Z_8Z_10E_14Z-eicosatetraenoic acid_Unknown 1502933.6110 1291773.6530 1349671.7230 1518925.8770 1333160.1460 1814935.8620 1656337.8640 237210.2816 282816.0821 214202.8977 228630.9246 304479.2461 1063043.0990 977570.4167 216832.4163 471278.9159 173912.1955 266335.0511 424803.4229 219324.4121 189927.4849 144923.7658 340584.2430 750374.7820 634817.1801 411042.0341 632029.9523 189123.2325 944166.6139 728463.6749 876703.1984 364728.7417 728393.9222 624649.9266 876645.6907 1313595.3780 648838.0242 449954.7128 280703.9322 19163.5402 178239.8602 2200.2273 4924.8284 1434.9397 5954.5528 3395.4586 669443.1894 615558.9478 662092.5343 673403.5224 629010.8569 703347.4029 768210.2330 652098.7028 369906.2234 337083.8323 972631.6943 817437.1364 488117.4094 496175.6370 1077698.3160 2467612.8220 944985.9687 851156.8273 934571.3463 1775349.1130 655060.9876 710966.1680 1628673.6280 255470.2752 238220.7137 245183.5437 225215.7473 646004.8772 168809.9580 533983.2677 281677.3752 235981.5484 806611.1947 387799.8640 370053.4576 656314.0782 361170.9964 352238.0573 1132904.3970 1-(3-Pyridyl)-1-butanone-4-carboxylic acid 147284.1830 109133.3530 108802.6516 61693.4753 111282.9049 126230.6722 128058.2626 269584.0753 220473.1304 267626.1504 240983.8939 98995.8280 118294.4089 212464.4724 120742.0272 317975.6901 323254.8945 344405.1519 420148.8382 478564.8056 228598.5588 310717.1657 475020.3216 188298.7868 271893.6841 400593.4309 179051.2749 40014.2769 68463.6418 80347.4852 79613.8576 207837.5995 340483.7566 197916.6283 74830.9774 97600.6702 77132.4275 163336.3619 207743.8226 2996.9828 2978.7201 4561.1186 2006.2987 1811.6387 1595.4108 333992.0824 284900.5901 280604.8112 286966.9540 295024.7495 312560.6927 341525.1356 584551.3791 688512.1511 509590.3077 602279.0297 344332.5795 284934.1179 381460.3850 602174.1895 344720.1121 174719.8307 359100.1438 13052.7726 473504.3990 352243.4992 511781.3586 416632.4529 202295.7407 56361.9359 47183.1989 128646.5537 494970.9810 156381.5779 430068.3475 231001.9207 163794.7179 559186.2802 186240.0554 117946.5102 524082.2693 251430.8924 258071.7820 450236.5747 1_4-Butynediol But-2-yne-1,4-diol 81671.5013 103434.2892 180148.8484 124138.3507 95385.2251 52498.6611 50046.6285 7433745.1990 7955945.2050 66731.9557 402543.2365 1576956.5490 241422.4499 209628.0181 3927275.1070 1524891.8070 1753186.2380 4664294.2960 2401781.9480 9407496.8680 52757.0984 431960.5440 880118.2509 33206.9425 3150955.0590 4715755.6570 46650.6857 51465.7431 124255.8670 1190545.3080 1769558.6480 109148.2332 5451865.0720 191773.7889 112610.8828 2964733.4030 3922124.5350 1306621.6890 23618.9356 33852.3417 40333.5950 32010.4019 41155.2919 27663.3560 28369.7006 152532.8271 642105.8560 2513551.8040 1805816.9660 283753.4152 30127.5398 42674.4914 58814.6322 73132.7171 538361.4504 60608.4689 59468.7790 277621.6912 89883.5882 266804.8651 52089.9080 46829.1929 39817.7187 71411.3559 37340.8748 33332.8961 273390.5605 30643.6768 55137.4045 40219.7752 53715.6958 39098.4905 71155.8880 159464.6430 1557822.1790 54384.3658 25637.4414 79397.7083 39948.5634 48046.8628 82264.5383 62824.4050 53240.1205 69075.3314 15(R)_19(R)-Hydroxyprostaglandin E1 66509.7856 47968.7296 73856.7524 62818.5269 35854.5679 73149.1625 59998.3243 55999.2189 72856.9079 75643.5275 71864.4577 70426.0696 54533.6535 68814.3061 34028.9050 57226.2193 61292.2649 71684.3902 61583.1929 81213.3638 19619.6943 63129.2323 91510.6331 48855.5667 70178.2677 35419.3287 115971.4197 88968.6472 98757.2293 52309.2317 54174.4180 45299.1507 65493.3109 69536.2581 40582.1348 39607.4819 55953.3239 32962.3945 71453.5435 148075.1828 135612.8500 112065.4068 114329.0591 93886.7289 103347.5375 95662.7037 240849.6715 76266.1950 60999.9731 104248.0147 161810.7369 97911.0203 76409.3381 69219.2554 90711.9650 59135.4083 62885.6184 26624.6893 77094.9156 96186.2965 52492.7231 90972.2620 51533.5135 42588.2393 66490.1156 98352.1637 87875.8179 159601.4100 115290.5484 111591.6983 119743.8984 1-Methylxanthine 1-Methylxanthine 13941.5444 23111.1750 23330.4242 36202.7346 20204.0874 32706.8102 17945.0930 531459.2662 422089.9667 402491.5947 484097.0298 507061.2609 414117.6358 410127.2129 447757.1886 576460.7360 591048.0151 541558.5421 580826.7085 518856.9031 574470.9218 651342.7279 387014.2426 308943.8463 352305.2215 303859.5639 313444.9722 197251.7520 168104.8496 372711.9470 316838.0743 388898.3761 314803.6526 433998.2651 415429.9921 504336.2873 314019.8982 289442.2132 264144.9245 6582.0979 30700.5190 11086.3339 12535.2120 19056.3482 16914.4665 17343.9342 506000.3605 444853.2648 335039.0098 407925.6840 410380.3958 335493.2916 503171.6252 256383.8030 273876.2153 389819.6918 436146.8004 411384.8893 405293.1665 403502.7179 487013.1110 334262.9734 344929.8147 406532.7303 402737.7470 358814.7552 166056.8250 324195.2985 97008.6920 294106.2036 283050.7395 176678.4940 290398.9981 374231.9159 270281.3508 299395.0946 265463.2286 315964.6876 348671.4314 491099.0424 417093.7835 569306.6069 395928.1024 450517.4427 414085.2149 1-Palmitoyl-2-hydroxy-sn-glycero-3-phospho-(1^-rac-glycerol) 181202.2985 116535.5890 146440.7281 108386.8281 4686.9841 77840.3327 77593.6197 4353.3613 178211.2957 214921.7508 146047.9885 186150.4506 188975.5525 128512.7989 176408.8275 41728.7026 114693.1798 125558.5198 127773.5903 106089.1627 9424.8057 316.1028 3866.0084 45094.7645 83616.5671 26881.2573 98184.4835 3205.1166 4002.4596 41537.2325 71630.5541 82956.2959 23841.4250 111745.0895 82774.3541 89180.2067 79700.4344 84973.7700 113336.0606 12047.3314 14712.5621 104847.3411 31143.1817 69733.2339 94230.6300 76917.4544 160273.5912 125773.9053 8575.1835 88654.0896 241539.8163 151075.2849 20647.0192 128092.2786 12046.1187 56682.0467 1117.4778 35988.5430 31474.7576 153450.1312 76307.6698 199165.5679 74708.4201 37040.4458 156572.4823 53760.6451 1385.9981 131385.4703 63474.5889 66258.2050 140593.9901 1-Palmitoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine LPE 16:0/0:0 86612.1188 77084.1272 83928.8618 154648.5163 75287.0955 76887.2489 53273.3568 253338.9926 199992.6110 262010.4109 236934.1264 135051.5881 184192.1581 218154.0269 144066.4584 347042.0474 331911.3169 309746.8494 311922.0235 288847.6158 239265.7892 261205.1736 251147.8421 190917.2801 173644.2918 177855.8190 169685.7064 86673.3723 163776.3492 118429.0274 131084.0269 151366.5924 200979.9148 202029.8972 127152.3092 166234.6103 110931.1927 109012.2381 147584.1830 183563.3094 158107.0629 118018.3027 148136.7507 142624.5819 129111.4366 161163.1700 229871.2420 223139.4455 166789.9663 234124.6500 130400.4726 151609.3754 120776.1372 255946.6481 125455.2095 148935.7593 146611.2749 378877.1650 182430.5491 153037.8688 170678.6493 196134.4586 117931.1760 91978.7917 99867.9280 124393.0016 198774.0062 123358.7778 180473.3143 134789.6153 84218.1089 165998.5875 107896.8929 168885.9607 191724.6844 130217.8157 140013.1465 203059.7095 1-Palmitoyl-2-oleoyl-phosphatidylglycerol 121064.5908 123182.7224 134867.7725 105455.5437 104279.7705 110546.5991 109307.4752 134605.5013 162312.4517 169237.6653 144577.0080 192831.7663 179457.1669 114541.9416 148866.6053 182073.7203 88260.4944 127066.0867 111913.1697 112256.8185 79181.5828 112866.9469 80677.5261 81178.3936 68316.1452 102501.3771 100625.6400 89244.0412 111787.9718 52404.6465 72474.4838 108038.0226 116035.0106 117944.9015 86403.7158 113317.2970 99766.9949 118362.9454 103462.7019 161169.6624 158257.5260 109549.4366 121892.9591 128345.9703 116684.1129 103459.5927 130677.0651 98425.8879 90906.6571 97460.8498 3495.9848 108105.3854 129482.8407 105473.8923 170487.8834 123242.5773 90947.1932 66482.6519 82459.1280 136165.7962 107787.3870 145936.7293 64554.3154 96766.7894 139988.1868 109485.5769 154088.5818 134582.8687 128514.5495 135896.9927 187516.8540 1-Phenyl-1H-indole-2-carboxylic acid 7153.4300 25972.1522 79214.8322 5425.7796 172751.3002 35200.5469 7482.0348 192268.3371 31069.3332 48373.8816 304407.1723 64670.1125 95261.1980 56179.6664 1816.6948 259265.2315 31416.9155 3154.9447 17224.9288 40424.0577 13235.5748 126481.8438 120677.1883 11517.9848 67306.4562 135915.5189 11258.0393 100030.1083 79300.1324 10779.6762 24089.4238 108087.6403 108864.4532 93713.7720 74507.7712 22308.0088 66570.1515 6507.3002 53365.8155 26989.6556 13574.2011 27446.9503 24903.7912 11714.8606 14233.1519 7127.6761 5654.1177 1988.3792 21250.9242 8807.0638 31978.7374 14793.6897 24073.2820 9953.4577 43328.1858 1239.7957 17953.9244 34454.4518 14431.3905 8851.5333 14039.7470 1316.1836 26910.9094 1374.0538 9584.6111 11009.9196 18890.7698 35178.5554 3140.6363 1-Stearoyl-2-arachidonoyl-sn-glycero-3-phospho-(1^-myo-inositol) PI 18:0/20:4 12130.2414 5229.1311 300.2417 10991.7430 3797.7960 10700.6141 4347.5777 244585.6978 280983.2486 300081.1819 319575.6428 555639.9118 567499.6725 516396.6515 745530.7883 493600.8500 320192.3784 277972.4193 317791.2057 320021.8119 300162.7359 308795.7521 321741.5245 245538.6016 326549.6513 296374.0879 291770.6234 443709.5194 685865.7069 590668.3655 476170.3736 229550.7939 281733.2062 442923.6437 481082.7342 643602.1005 455908.2505 206425.2124 312235.9546 279623.3721 222450.8625 185683.6596 215407.5582 200665.6049 205461.7473 267535.3604 375675.5148 389411.9949 199990.3402 329880.1461 401959.3562 408206.7255 240072.5107 229059.7203 343876.0576 434378.4291 315327.4236 549587.0441 273765.1194 284904.5280 204521.7585 555342.8933 388613.9189 470751.4022 548560.4429 464713.4596 332980.4404 482852.6427 295855.3483 324674.1765 223009.5389 261475.0109 379556.5932 849251.8551 264711.7195 312028.9568 349238.9569 356865.2366 1-Stearoyl-2-arachidonoyl-sn-glycero-3-phosphoserine 152957.2514 159429.0438 170248.6385 165309.9639 208008.9097 277968.6062 182149.8144 331403.8534 244053.6227 177399.1983 175975.2030 215336.8172 233344.5364 140771.9651 164966.2390 189067.7024 156119.4301 147177.7092 143385.5051 154882.0944 142019.6276 233150.3669 240061.3928 155219.7143 136161.6083 178999.4340 244688.9737 189915.1728 269093.2068 185804.3738 123530.7649 180785.4852 154072.0180 122937.3328 115655.6594 100573.0942 119346.1766 142361.1657 158622.1529 273573.4409 375321.2546 191257.8770 314031.3379 230828.3745 196713.3719 175185.1095 197025.7273 214040.6840 240814.8599 206487.7854 444481.8082 248267.0602 196690.7643 164511.1415 341388.0455 226161.8181 158762.4911 199349.6237 189021.3996 284594.4781 229424.2786 238517.1789 238914.5900 82654.1435 206140.0493 164817.0201 283094.1350 234538.8903 148693.3614 214980.5119 248254.1254 2_3-Dihydroxypropyl dihydrogen phosphate 12905.2595 26681.4435 16835.1272 22674.0666 23135.6866 27590.2856 8293.8845 1962202.9650 2374662.0120 2457241.4570 1619516.5290 3070920.9740 2649129.3190 3310860.8080 2449552.2250 3057358.7710 2594880.9030 2334599.7730 3309317.0980 2704929.3910 2848477.3730 2178358.2190 3682213.9770 2146407.1340 1893600.5540 2413832.6580 1798633.9970 965835.3443 2196155.4950 2976672.4830 2357659.5500 2259585.3510 2817837.8110 1662482.8720 1750653.4590 2801545.0180 2212718.0070 2110407.7420 2115463.9590 4480.9344 32680.1656 25477.2686 24874.8071 10095.1715 20425.9762 17922.7916 2540882.2040 2648105.3910 2350776.7110 2027411.9270 2088145.4060 2030985.6990 1858736.0390 2335588.2160 2771653.9330 2371310.3650 2638946.3310 3293822.4790 2879396.8400 2249295.6410 2493315.1590 1618014.3500 2124203.8160 2005440.2620 1199169.1180 1418384.9610 2495990.5330 1776709.0130 1699863.9620 2233361.1640 2303185.6420 1851804.7180 2399180.0600 1892610.8040 1672805.1790 1602342.5300 1319370.5650 4708625.2540 2073172.7790 3566257.8110 3326768.5090 3343840.7180 3897011.2780 4415980.6120 3170241.7820 2-Amino-3-methoxybenzoic acid 3-Methoxyanthranilic acid 51023.8569 31875.9118 33102.6741 14730.7899 17286.5195 18867.6787 15175.4667 62184.4786 111553.8875 130226.7938 121810.3096 74255.8055 74247.0483 100965.4364 68191.3955 162261.2765 170827.9374 175750.8919 148120.1672 185099.9676 124116.0667 42298.1607 106470.1584 82238.5435 39244.5684 143902.2151 81202.7512 26975.7281 56731.3125 45368.3274 18594.8426 114903.9127 46055.1888 91507.7344 63536.3104 74815.0038 53184.4155 67285.4167 77320.2615 4239.4747 14060.9938 8509.1074 14133.5695 6676.6131 6108.8591 14884.5005 147577.3232 115479.6179 86263.1669 121509.9988 98704.4719 82036.8783 42993.9131 232716.4313 286088.5357 206234.1196 196893.6292 144383.1739 121155.1955 138963.5202 224457.8187 97938.5987 84722.1157 20666.0894 244600.8582 59844.8273 110147.8577 192648.7755 115205.8186 45940.9118 39380.8814 33803.9479 56445.9925 238078.5799 81073.3463 158820.4352 115688.0514 58179.1769 141477.9396 34534.4126 54053.9265 79223.9489 96180.9964 94816.6216 175989.8401 2-Aminoethyl dihydrogen phosphate Phosphoethanolamine 88981.0836 66541.6839 218492.6614 206904.0552 97505.1372 112893.7035 106274.6776 4126747.7620 5542984.7130 4608915.5980 5879625.4320 2954766.8930 2695113.0730 2357802.4380 2152588.1600 3551115.5270 3836839.9090 4386912.4890 4064888.3630 4452235.4520 4748926.3650 5142222.7800 4761145.3870 2278243.5620 3141280.9140 3205736.1660 2689936.3150 758894.4836 950280.7436 1418985.5900 1453095.7800 1516846.8240 2193015.5300 2825607.2420 1504293.0770 1261980.1340 1673487.4330 3286593.3430 2456051.9760 30004.8475 104058.7763 103974.0505 137735.9504 113991.7845 108404.7234 142416.9392 1720466.3450 1815793.2630 1959355.3890 1862148.1520 2037567.2540 2200502.9090 2162419.8790 1558679.4780 1288723.0200 1596328.1340 1080219.9950 1136315.0360 965933.9437 1103153.8990 1091092.2190 474974.2499 410161.9714 894720.4934 972551.8805 1135948.9910 1251339.3210 1099782.3970 670094.9684 972574.4950 507037.4880 642866.0168 569720.0427 1168521.1450 853969.7560 1087212.7690 675715.3853 1225182.1040 1289519.6110 1196025.4800 549332.7963 1448929.4790 2069576.1990 1585424.3320 1643261.0980 2-Cyanoamino-4_6-dihydroxypyrimidine 6844.5299 6479.9631 8359.4689 6549.3268 4923.1035 5169.9041 5215.8081 567298.7818 548154.5730 618942.8059 435344.1233 583049.7018 523242.1261 268546.3964 621774.8956 1016833.3650 1056934.5780 1312648.1310 1163192.2500 963031.9850 917506.9739 741399.7232 1196916.7020 346657.1580 340856.3596 330919.4082 462987.1891 142136.1612 583312.1392 520990.9084 331408.0134 590176.7928 798070.6041 621853.4994 714300.3804 865153.7360 335889.6229 534492.9887 418391.1643 2092.2575 1333.9306 1679.0187 952650.6069 749563.7647 609668.7174 592915.4575 548786.6304 405944.9752 540013.9800 1141995.4080 1089642.8950 642003.3729 835351.9559 563447.2693 506293.2742 472251.6877 908005.5592 527174.0155 539747.2259 413158.1384 610641.9747 387156.8253 648258.2125 411066.0887 706197.7831 187305.4846 320574.7435 120940.4005 315645.2718 577912.1148 241130.2107 347455.1926 265357.1901 338549.7927 471642.6106 411479.6722 505148.0768 570809.1801 312565.8977 673344.7215 333922.1194 2-Dec-9-enylpentanedioic acid 14387.2347 12947.0513 19789.2175 9607.3844 10244.6949 18220.2051 12404.4125 2974.8099 2024.2723 4872.0676 9777.3976 3592.2080 1875.2383 3885.9318 3340.8549 349843.3487 256929.3410 2560.5540 2636.4824 3937.7609 304517.7218 650380.5659 333102.8534 1542.5776 6493.8723 1803.2978 56757.6628 48185.9327 43200.9683 46651.4716 49093.6077 40997.5881 45100.6603 3581.2695 28475.5505 2423.6779 3686.5045 4665.9360 2630.0563 4768.8330 4873.5155 33901.6362 1160543.8730 3638.1146 6735.0693 6493.8205 2395.1299 3549.0723 1581.3240 2299.7515 2175.2550 2689.1896 4558.3581 4669.9228 16236.3344 2154.5205 2-Deoxycytidine-5-monophosphoric acid_[M-H]-_NCMVOABPESMRCP-SHYZEUOFSA-N 23236.1791 22598.3649 37387.0415 15215.2427 25359.4827 25960.1937 66621.3214 12821.9855 38139.8498 25206.2265 26345.3860 24375.3253 27221.2690 21994.4659 10387.1641 41814.6053 19528.1714 25322.3402 25079.3752 11813.5282 9224.5808 35172.0052 17589.1449 19706.8306 40073.4636 8825.3923 11554.8263 18216.1366 20915.5769 30217.8214 16878.8644 23873.4915 30888.7356 27860.6883 9911.5295 21587.5184 30873.7410 6250.8541 21553.7048 16436.8220 17997.0119 32904.9710 59691.3501 28201.2535 16891.0533 12557.6857 11043.4086 21175.8597 14430.4112 7779.6498 11651.9424 27532.4792 13710.8988 8859.2521 16434.6320 26338.7529 23912.9529 37845.5358 12647.0744 10092.5681 5250.2337 8838.9830 96037.7228 11739.0004 54653.8853 57375.8199 41172.0084 58516.5515 81322.6987 37059.5088 2-Docosahexaenoyl-1-stearoyl-sn-glycero-3-phosphoserine 171997.2080 195465.0401 204468.4836 154786.6277 331802.9999 395160.6571 431279.4462 460808.0558 379931.0776 223299.6685 203794.2505 304529.4478 231430.0525 195291.2641 224000.5826 30283.6255 191693.0682 275779.8769 184763.9739 195481.2590 254080.5070 430919.7039 147005.3917 244192.2647 153573.5926 6836.5119 236209.2789 319347.9781 416057.9852 289072.7729 62926.3362 79227.8832 153944.9854 163536.6671 118397.2507 150594.3727 135559.4571 140572.4123 164859.8474 255261.4516 338234.7681 162985.1130 121006.5931 288225.5303 254607.4285 214932.6022 174115.3399 231599.4099 285681.7340 243340.9082 3376.4128 289665.7261 91308.2034 177339.6207 84403.3908 353979.6076 331409.1464 368263.9350 394946.2281 254392.0599 366745.2175 268656.6064 240061.5126 170678.0135 271503.8542 342640.2067 604878.8415 304957.9108 260553.4964 302656.5148 330598.0963 2-Furoic acid_[M-H]-_SMNDYUVBFMFKNZ-UHFFFAOYSA-N 2-Furoic acid 28806.7683 86012.0456 123965.6317 78044.7069 63580.9240 5752.0260 37811.9651 146618.9541 154310.9898 44340.4103 47080.2985 66751.9089 77514.3834 78014.8767 105031.8647 61012.1962 35993.4452 74365.2769 84344.2963 241545.6430 38512.9878 8496.8626 25528.4335 22878.4078 91424.3309 60930.1424 30464.5280 51859.1154 48365.8753 87540.0651 66458.3608 2288.3349 121648.3052 40625.8788 50587.9245 98754.2931 92981.2424 33763.0450 2643.2870 37033.5967 26602.9415 8718.2242 15872.4394 5479.9569 16617.2833 51432.1611 54073.3311 23554.3795 67811.7106 52592.0910 3936.8545 29917.9637 26680.0591 25157.8723 46805.8742 50132.5708 32858.9452 31518.6809 34777.7560 47216.5738 28623.8884 35700.2557 14286.6273 34681.8432 24324.1889 17247.5818 24467.3028 31114.0061 23134.4048 33887.7501 29886.8828 34035.1018 26815.3281 36147.2070 48467.5632 37726.5638 2410.6234 4577.2116 25821.9013 76500.0213 57728.2381 44025.3080 52864.7256 34336.1598 2-Hydroxyquinoline_[M-H]-_LISFMEBWQUVKPJ-UHFFFAOYSA-N 2-Hydroxyquinoline 185582.8129 109985.0675 165153.4920 205546.8723 135379.2655 161999.8845 162705.3654 424906.8971 295000.3472 323835.5425 295139.8569 159011.9907 237126.5806 297650.2847 247997.1990 513098.6239 379345.1158 433596.0798 450994.4685 470291.3113 315237.5035 395968.8621 429159.1147 145108.2442 172265.4982 143931.0054 171167.0404 129986.6316 167669.3302 178474.4675 152275.5133 196324.3248 235479.4575 182665.5165 186049.1107 190164.9669 144391.0708 179580.9084 168972.9382 27189.7527 34136.4280 19280.2103 16013.0649 18926.3749 24581.4016 11576.2021 212211.0059 210698.7492 188228.6605 151950.3996 199732.8628 197608.4457 201647.1707 402874.0205 510150.3501 322055.4245 491047.9961 370562.7333 264586.4571 361519.0328 384156.5100 473202.3881 329371.9640 361735.5502 361836.6680 401902.6491 281977.0179 397733.9310 424630.4217 285711.8408 208977.7753 249776.7690 333463.5868 394416.3560 321782.9041 340454.5921 307575.1566 237142.3433 532780.0515 287116.2276 337011.3912 440687.8475 240410.1211 290416.6136 484099.4428 2-Keto-D-gluconic acid 2-Dehydro-D-gluconic acid 10036.8142 5727.2851 7446.4051 4714.1725 1844.6438 2345.7328 4336.1536 640378.1836 1768378.7160 1498815.7150 1609560.4300 603678.5205 527872.9238 487993.3282 181329.6336 987699.1712 762121.3265 1948911.5440 1225678.1460 1462198.4170 1312606.8900 932291.5143 1503335.8510 812222.6112 1159314.3150 1363702.2000 1231092.9270 91428.4240 318908.3417 424278.5719 229038.1335 418239.0066 272241.5135 1166438.8120 288292.9175 550804.3819 503395.1974 822325.8645 620651.3495 13030.6965 32644.3349 4987.2528 6841.6778 3111.5076 9129.0910 32419.8081 522451.6961 460494.5666 292676.8866 372701.9666 320687.7628 306358.6164 408768.7737 1189009.9680 740448.5187 893581.1345 389142.6518 419338.0290 436254.6338 313268.3358 459138.5811 99384.1508 166826.9763 298580.3898 287963.6246 221238.5449 613337.9242 246829.1809 249584.9637 309268.9898 105029.2987 44271.7571 146228.9847 420090.5400 140103.2423 491012.1512 195871.4730 460210.6779 205973.6216 300309.6694 278183.6498 856041.3878 1129907.9250 767347.6494 375284.0804 2-Oleoyl-1-stearoyl-sn-glycero-3-phosphoserine PS 18:0/18:1 214845.4225 220380.4156 218583.8884 206742.6546 300849.8447 395055.5642 291697.8974 428586.4232 411012.3120 305956.5444 217841.8462 264475.5213 245719.2852 227240.7312 238704.7500 241597.6288 202480.6937 206828.2390 209988.0582 195532.5530 246371.2683 396603.5889 355677.9540 299501.4102 215709.0527 155369.0369 288291.5385 311551.4001 368976.6637 290227.6207 137825.4668 200999.3651 239070.3797 197703.1679 143440.7360 183378.3726 169605.9454 180174.3114 241235.1160 388757.4605 477445.1161 259072.7045 401018.0112 407511.5481 378286.5792 286005.6992 313731.2858 351008.1004 444989.3938 330053.9159 529374.9011 331426.1835 299797.9330 279829.9448 464030.2810 444612.1679 425736.0030 512147.1457 497045.8035 389573.5025 458718.3306 388734.0277 384300.7466 199093.9713 336303.6041 349069.6424 668017.3265 376577.7010 292763.0216 373155.6669 451545.5392 2-Pyrimidinylacetic acid 245002.3337 200991.7563 217715.3234 706110.7829 433061.9247 360457.9723 203806.3614 1061719.6120 710940.2347 220163.9942 618479.1241 372097.0326 241396.2610 484846.1001 362513.3358 1259457.6510 633222.3204 208211.6604 171636.0103 508180.5038 1458019.6000 1063286.5020 138231.6442 129461.5159 457807.3074 392761.7137 196412.5096 227461.5880 157025.7992 123173.8506 477107.4049 477360.5830 370711.1472 264959.6137 223690.1880 384693.7358 268735.1682 260383.8779 130502.4178 96420.1892 242161.8444 162250.2540 105463.0876 159376.8775 162718.8529 239907.5276 499848.5303 356842.3299 533889.7801 441874.4157 561644.2800 1354457.1740 1736788.7540 278139.1893 308071.2306 836488.2727 83943.3617 128074.0509 727561.4932 268535.0324 3508753.9900 530509.9885 353739.0819 728536.6431 537099.2489 569725.3237 51384.7046 606711.7905 86557.1914 947527.8051 97204.8594 312321.0674 468804.6624 184290.0948 481710.5753 667556.4597 327457.9929 1382475.6990 1775601.8490 796486.1879 544394.9771 937970.8276 3365295.6570 325553.5712 732203.1252 3_5-Dihydroxyphenylglycine_[M-H]-_IFXDBKRFNXPGNO-UHFFFAOYSA-N_4-Chloro-3-[(diethylamino)sulfonyl]benzoic acid 12303.6873 35687.8295 37664.9083 35117.3079 45531.4577 44712.2568 45602.0848 416849.8759 306789.7161 334872.2245 479441.3119 163644.7059 123693.2795 75579.8575 104660.3972 270392.2197 600090.6168 606412.1601 316440.7380 310542.6271 415965.2601 587243.0534 574617.4289 115264.5936 138725.5849 214043.7012 110755.1438 4113.5162 22842.2875 22431.1324 58744.5748 112179.5960 69567.1623 147544.7738 90698.3555 30602.0018 71657.5935 161757.8463 105719.2831 5084.5836 3278.5098 6445.1962 7832.5415 7746.9298 10834.8005 3604.8326 109645.1486 152716.6393 141847.5530 147445.0733 143815.9522 148943.8845 133767.0820 219062.4852 101989.1334 309542.9870 89662.7935 107000.2951 155245.9748 115171.9459 169248.5158 26788.9401 62242.6090 84354.7635 83220.5803 102249.0480 103818.5700 108088.1488 54369.8391 117632.1838 110547.5654 59759.5732 67551.6408 135404.6873 85480.3827 130648.1114 51139.8302 218991.2734 202830.3871 173990.3550 41626.5722 243948.4997 391735.8029 195275.3262 150999.8187 3-(Aminocarbonyl)benzoic acid 39842.0796 42052.9102 40997.3853 53296.2057 42537.1856 40227.3897 37418.1571 36890.7715 254065.0625 256355.0912 24225.3865 68790.5253 450638.5525 212647.1024 35796.1815 341031.9297 133609.7729 56289.5802 337511.9463 166860.9863 203440.0305 9807.0925 25006.0297 171862.0893 40182.7735 350400.5868 256276.0916 12280.4798 48615.1987 57698.9141 261142.2845 251103.4792 19863.1033 455522.9894 43311.8486 70580.4411 466928.1087 324143.1361 190307.6456 18963.8716 31536.1423 17510.2308 20777.6644 14299.6757 17651.8001 12064.1098 37658.3763 62824.0053 183506.9321 180481.6202 109014.1201 54390.1691 27827.9651 43380.8760 46597.7686 225900.4195 38297.3350 47146.8005 213186.3917 87013.8868 53253.0216 22668.7361 35804.8463 34358.6624 50085.6992 21028.1554 36754.1748 121240.3652 31283.4195 87787.1667 23717.3406 25298.7262 31731.6515 43013.5515 49376.5846 218559.1820 39005.1205 62540.1374 46635.7407 48115.0304 45297.3769 56441.5457 108955.8775 53422.7450 67363.3552 3-Hydroxy-3-methylglutaric acid 3-Hydroxymethylglutaric acid 272920.5507 253349.4220 378544.1012 405939.9663 154199.8701 86862.2972 93264.0747 55140.5748 921983.9303 946987.8248 43632.6268 428138.3258 717376.7476 183252.3588 263060.3821 984672.6901 628610.9455 457883.3442 690108.5761 606026.8377 868166.8688 65979.9065 346529.8783 425009.2534 59843.6897 972637.5984 541516.4640 69755.5758 226472.8719 257620.8627 490335.7096 481885.2045 273056.2320 743511.3778 255522.2112 247336.1792 576607.9421 867633.8834 462238.1124 128208.1236 156097.7619 128173.3556 137397.7985 143938.8453 58108.3949 54927.9847 326706.8257 481196.3502 572009.6421 731124.6589 141233.4050 50075.3340 79728.5976 203513.6452 266302.9443 519524.9792 232945.2604 230810.2465 347141.4543 179668.8407 333750.0534 283119.3636 251702.2426 57887.1853 291422.2432 45195.3077 183482.2571 411585.4826 182582.5751 141451.2896 163883.8280 62745.0176 197892.3573 715062.2646 346272.7557 460479.1295 264764.8368 47069.3110 57350.0862 61895.5488 221275.7248 75190.9523 73867.5167 311190.1527 83953.8216 3-Hydroxybutyric acid_[M-H]-_WHBMMWSBFZVSSR-UHFFFAOYSA-N 3-Hydroxybutyric acid 19668447.5700 16033225.1200 16165554.2700 15001211.4000 14873957.4900 16650649.8800 12904146.2000 2049838.5940 1715311.5330 2780109.2230 4152010.7420 1726779.7100 1067567.6860 3042152.0740 1104131.6290 2212930.0950 2698518.8100 4351278.2990 2432515.6200 2683616.8530 2990023.6960 2973108.0550 2309182.5350 1681942.7990 1243296.5510 2756242.4240 1316205.5150 496102.7891 1196871.8000 1331806.9050 748443.9987 958030.0394 771561.5351 1574436.3670 971846.4441 1335774.4110 789147.0974 1208392.1610 1319711.8910 83856.1599 188905.8944 134048.7931 146868.0175 145003.0559 123968.8018 105149.3181 1888275.1480 1676475.3530 1290762.9170 1638933.3090 1367359.8200 929894.4353 1980850.8110 3454519.0170 6073159.6030 5685589.5170 2172220.5110 2087628.1780 2077645.6870 1944547.5290 3824191.9530 777422.0258 992198.6605 1922062.6620 1128173.2740 1688607.6470 3552593.8840 1219907.7540 241673.4786 1429368.5610 516617.2157 219812.8425 969944.5336 1486411.2790 509567.7169 1209132.4530 643740.4984 1142093.7130 1574029.1160 1189538.1780 1061106.9730 4211200.2730 3099318.8260 2540667.2480 2293573.7770 4_5-Dimethyl-1_3-oxazole-2-thiol 2378.8446 3974.3377 21943.3487 22832.3247 7042.7600 6880.0254 9220.6633 822261.1092 1254368.0720 1246991.3980 1414439.3960 208093.6222 548331.3899 554661.9982 104064.3830 1639552.9660 1776260.3990 2810982.9760 1374049.4670 1209026.7360 1787335.1110 803297.9496 907784.8482 378419.4243 451878.2189 939035.5390 650910.5493 16458.8703 82150.1886 52476.5023 190408.5682 550666.6092 22108.6988 1061516.9490 127166.3719 203360.5554 277255.5980 791903.2985 337740.3174 10606.8129 9907.1909 13702.9643 14832.4823 11748.1872 8270.8146 10069.8463 173257.6373 527867.6440 460187.9407 526385.3290 544889.4676 277538.9250 291164.1872 361893.9511 251269.1077 1126486.9460 122634.6371 288456.1583 804438.2601 573935.5639 1035766.6750 100429.4296 39750.6510 495749.6580 641394.3847 327818.6797 125006.1607 372841.5266 44319.9547 296247.9268 78603.6192 52571.1910 108407.3238 188855.7095 172520.3850 489284.3250 161696.5910 516066.5851 738950.6876 851504.1028 106046.5427 1943018.2830 1672431.6980 312784.0590 721751.1753 4-Hydrazinobenzenesulfonic acid 4298.8258 4345.9507 8534.7901 25957.6594 123159.2794 75195.9649 68219.2827 884.5191 126372.5272 351109.9426 112183.1740 194111.6799 194643.3145 123809.3071 74286.3028 359176.0428 313517.6524 15531.2786 12685.0947 261142.5811 153574.3446 49174.8257 55038.7049 69309.6289 25338.2507 241406.9709 193956.6212 115910.8805 144528.6876 388329.5453 447083.8881 271808.5493 203346.4352 245709.7745 200380.0304 4325.3786 1652.0516 1727.3808 1774.3144 1434.9397 200139.2109 277359.3587 307589.2933 195396.0314 243047.0172 177034.2330 79040.7046 188228.0166 425972.5239 193954.4193 612319.6479 454248.4552 132981.4989 283158.6906 202702.6374 390717.8176 91173.1141 72298.6776 398527.3198 189715.8328 292289.2169 120550.4592 456520.4121 101750.3711 210177.9905 91591.8101 191777.5180 109999.4353 103820.6408 144929.3364 5719.9872 130651.5865 430187.7193 145497.1500 286554.3066 176377.8166 133800.7604 268830.3954 184208.2046 4-Hydroxy-3-methoxymandelic acid_[M-H]-_CGQCWMIAEPEHNQ-UHFFFAOYSA-N 1988.5871 4949.1618 2407.0204 1353.7539 44324.8624 46992.6492 46333.7309 45243.4446 24501.7686 19769.7720 52110.4449 14931.0769 74106.5363 49253.9150 63859.8572 39485.7418 45488.8563 27893.9927 32924.0628 14982.1004 32808.3289 55014.6927 53969.6759 36205.5722 13042.1530 2413.6201 13083.8565 19437.8539 36991.9259 13976.6511 43803.6012 13508.3654 28626.4880 37242.4708 16383.2446 44962.4595 1404.6452 1469.0591 1300.5086 1625.6371 1533.8302 27094.9390 30922.7609 21619.6095 22855.5082 25862.8199 16453.6916 36242.9906 94351.5822 87587.4822 73618.8136 72637.0274 44019.7271 44920.3388 41711.3707 46655.1905 17245.4686 24317.3129 53992.7243 82894.7467 58923.4302 36039.6533 55493.4269 44032.0705 34303.7037 7439.0298 23611.8741 17129.7629 69274.4020 25028.3286 65841.1898 43790.2621 28384.8801 46726.6012 32487.0092 6783.6729 82455.7163 52779.6800 40675.5535 54199.0375 4-Hydroxy-6-methyl-2-pyrone_[M-H]-_NSYSSMYQPLSPOD-UHFFFAOYSA-N 19689.4126 12951.0128 13781.2990 21152.2314 10817.1706 13115.5426 12097.3903 67010.4768 45869.7704 51753.1212 37824.7618 36675.2203 40082.8968 40796.0776 19986.4446 98332.6662 60193.2475 68056.5306 70394.1607 75145.8743 55676.3337 76285.8842 58167.8132 27449.5518 40740.1777 32922.4569 31023.1141 29907.0889 22384.2897 26612.9446 28236.6519 38153.4479 7872.0502 32582.7909 35454.3323 44383.1231 24443.7302 22740.6039 29917.6764 6569.3284 3483.2567 4273.7231 7193.5917 4895.3688 2945.9981 6849.6555 49608.0719 54223.8670 44513.0537 49250.4446 49035.7198 50101.0650 62691.5807 69084.4324 61714.5149 51105.8960 77995.3471 57839.2767 55903.2436 70971.9247 70502.7186 101000.4716 62643.5396 74848.9489 85951.3046 83751.6979 48808.9950 77007.8065 47868.1574 48639.9708 17398.9304 33015.2635 54663.9700 72882.6601 43079.1941 59816.7721 49889.3066 46928.2013 88376.7077 46415.8750 56803.4124 90426.1205 59893.9553 47800.9535 88453.9361 4-Hydroxyhippuric acid_[M-H]-_ZMHLUFWWWPBTIU-UHFFFAOYSA-N 4-Hydroxyhippuric acid 1393.7982 39795.1717 18139.4716 31311.0846 8661.7223 3127.7445 14559.8451 11216.7713 2314.9314 91069.3497 53904.6325 50400.2962 39070.9259 45127.5730 45578.1663 57051.7460 41862.9777 11345.6924 3936.7823 3288.9121 5623.7630 1889.7666 4625.7496 4246.7485 2852.2902 12598.3077 2961.2983 2463.3109 2765.4556 2839.4121 7470.6128 6555.7332 1693.7003 13069.5557 38281.4933 38972.0503 34451.9412 27462.2066 33915.3315 38175.0728 31087.4249 17607.9197 13906.4536 38959.9817 51571.0303 37977.9020 37678.6601 20014.2621 34068.9099 22514.3703 43941.0987 11682.1792 40081.6407 25992.6697 44476.1473 11524.8468 51877.3964 2640.2639 29303.9862 84317.5502 18806.5527 40067.4437 31541.2815 23561.2769 51926.6751 62892.5784 44007.5984 38248.4028 30754.9554 32368.2194 51479.8230 35403.5370 4-Ketopimelic acid 115433.7918 109756.2930 109637.5703 171911.4354 119031.9053 127819.2068 102071.3289 299385.9590 266285.3833 147409.2802 244954.5514 124471.7903 156269.8567 215246.4404 154504.3871 598431.5841 347339.8550 147144.5213 170970.0403 191496.0599 206600.4912 453035.9041 110958.7836 85952.3162 237864.4324 114268.6702 82985.6583 145864.0352 150661.5971 105829.2308 131146.3548 143695.7755 59603.5562 168959.9387 118836.5843 130610.7416 138670.5711 120928.5259 92124.9305 113162.1674 127623.8656 95153.9720 100498.9392 61868.1450 53473.3690 97875.2302 125355.2552 107665.1534 113746.6863 125796.7023 211098.4984 176770.7113 237158.0038 122051.4429 128048.6473 248367.5923 112827.4651 120115.8756 151272.3726 332805.9441 153485.6286 153492.8282 135422.4057 360907.8472 192096.8164 375963.8463 71924.8576 200506.4744 98615.1571 272959.0578 105027.2041 171426.3422 119595.1018 118205.4968 142165.1648 154762.2542 127168.2473 286721.3904 326891.8927 240566.7349 160869.0389 407049.1116 271406.3292 111811.8623 322910.1260 4-Nitrocatechol_[M-H]-_XJNPNXSISMKQEX-UHFFFAOYSA-N 4-Nitrocatechol 22668.7316 14736.6423 6310.2165 12734.1804 2679.0364 11229.4667 12032.4158 21706.7240 16705.8267 13693.2154 7363.9789 25677.1546 19612.1325 13120.3757 25740.7464 36725.9845 23681.1804 16461.3979 22972.3622 33604.6476 5754.5598 14917.1349 29243.6189 20469.1273 19510.9873 16294.5478 14951.3032 16822.8877 30914.8494 23197.3449 10496.4411 25107.7451 32314.4945 18680.4314 27436.2672 26351.6139 14272.7344 11796.6699 18778.5119 11601.6732 26126.9849 13803.0714 11418.5244 11633.9154 7987.2248 10569.1227 55208.6053 25918.9878 33634.7537 17959.1109 15922.9073 29928.7894 21004.0662 42984.3498 43250.2948 20004.1703 52053.6385 27549.4666 31858.3584 25467.0639 25702.8865 18979.2609 22252.8938 19003.1157 30762.8726 27445.8336 26898.3023 24373.0105 33744.0596 21095.6577 20085.2759 10523.5645 35240.3067 30472.3886 16759.9677 28503.4977 28242.8177 19701.5964 36579.9091 14687.4360 39359.4523 17036.3228 14907.2378 28016.6305 28889.4618 4-Nitrophenol_[M-H]-_BTJIUGUIPKRLHP-UHFFFAOYSA-N_3-Hydroxy-3-methyl-2_3-dihydro-1H-indol-2-one 4-Nitrophenol 1893666.7980 1374727.6770 1442238.7020 1559698.9130 1869451.9640 1502831.8150 1771862.4790 3420562.9120 2349625.5920 2528090.8860 2027842.8450 3988045.0300 3760605.7320 3470998.3850 4054245.1340 3818684.7770 3461928.0910 2298382.0170 3662081.5070 4169234.0580 3480664.0710 3585029.4470 3308540.5090 2212665.2770 2359672.3450 2837754.5600 2490381.6090 4009412.0490 3632704.8320 4450461.6870 3114981.5780 4211973.6290 4796866.4230 3776127.6250 3042160.7760 3399909.4340 4374596.3900 2372600.5650 3114437.5550 4161659.6990 3344620.0590 3097832.6660 2378123.9620 2924226.5500 3243907.5870 2737232.2550 3627632.3480 6159146.6620 3936351.4330 2636846.6010 3295511.4730 3846724.7430 3207359.3130 3656009.0110 5887031.5070 2560085.1760 4245170.4580 3355508.9120 2798221.9500 3395640.6740 3121923.0240 3923298.9640 3855491.9010 3120300.4390 2844764.5830 3097445.4760 3883140.4230 2672415.1820 3575318.3480 2718830.4740 3534097.3940 3785587 3377925.8360 3506880.0590 3110395.1260 2596507.5650 3459662.2850 4591899.8470 3318792.3620 3421851.6980 4086639.5640 3075319.4000 2618332.1860 5782299.1470 4110105.7580 4-Pyridoxic acid 4-Pyridoxic acid 46097.1127 28396.7569 27530.7231 31151.2646 27373.1288 29665.1668 22635.3932 442721.5293 377499.3167 405962.2396 402052.2061 241487.5565 226836.4159 293260.3991 255055.6659 516442.8676 584995.4561 564466.8739 603229.8568 681343.2885 460679.9274 531844.4525 633792.7224 310697.2942 372060.8780 501807.9765 352508.8557 81060.5371 145145.9553 131221.6713 167209.9122 343201.0004 395865.9137 369438.9835 193603.1077 198523.3159 131483.7547 248279.7240 303547.5481 1595.0269 8132.2912 1520.7766 3377.5869 277.3926 1789.1183 5579.2008 601394.4270 502379.6426 455349.6814 449132.3165 473116.8744 448665.6581 502226.5200 879000.5562 961570.9298 668866.8726 888851.2586 490235.4809 398999.7722 517920.1261 831150.1078 528497.7452 327115.7955 547482.5165 941460.1850 634911.9983 504679.9531 715425.4121 628473.7803 306590.7066 97135.7371 62474.3508 202203.2092 782849.7527 238733.4195 591524.3028 424251.6821 208552.5183 685118.9730 247527.4854 189240.1952 755893.1140 319946.7176 387916.8010 597116.2299 5-Aminoisophthalic acid 9432.2433 7813.4814 10585.7071 4458.1774 882849.6345 571500.6654 549262.1582 716086.7703 108605.4028 348856.0343 404965.2563 46109.6846 576698.7605 1265712.6600 950450.0137 541046.5812 460614.0034 837068.2950 1279896.7610 655339.2914 210956.8043 469188.1034 244410.6408 233572.3262 69020.3328 15251.6067 68921.5988 240073.3412 253200.9428 205606.4472 364095.0314 44055.9982 32002.5330 246049.4827 397120.3085 216589.0564 2471.0392 3179.9993 2497.3295 148562.7507 313727.1897 329874.2858 378845.0794 503943.1149 449194.4760 41593.0039 152685.3694 95770.9158 219582.0037 97293.5661 173418.1262 201850.4363 220372.2702 153858.6827 155255.9883 200576.1195 266046.4579 132576.8906 37515.2635 173847.9175 171943.7389 17872.5163 294964.3381 80068.8033 103788.0344 209271.1344 147351.9154 195136.4193 203320.8469 132910.1735 572198.8320 460643.0890 599794.4857 91196.1034 368678.1831 372907.4322 269135.7841 379174.7359 8-Oxononanoic acid 125738.4593 166434.9245 75734.9371 142213.2678 195193.6164 133984.5398 238159.2941 276464.6677 417525.4816 284785.3543 219253.8443 112065.3792 133819.0966 179209.3737 48742.5926 219115.7997 171116.7954 156489.6265 288236.3426 222595.0328 190008.5224 189165.6958 299415.9930 147632.4752 201194.4093 216641.6463 112652.1357 69659.4656 87560.4629 154698.5803 78539.4936 124933.5627 184719.3809 208142.8934 78208.3617 127506.3627 191558.8718 183085.0514 177992.7198 86845.3843 8123.3335 31708.4059 35118.6469 31475.3370 33426.0687 28749.6054 544893.2961 205754.7781 175369.3339 200673.1339 250048.6521 231505.1444 313259.3116 119349.8234 236125.1567 220537.0291 393597.5834 218012.9125 206527.4652 332184.7270 193597.0538 311327.7510 69627.4519 317379.1811 205995.5605 395655.8892 121706.5690 255118.2675 177326.0224 194915.7833 36368.8231 51632.4740 123124.7669 132825.4318 64451.8737 192285.4731 97908.9222 275077.3236 226662.8339 178026.2436 76760.4989 361990.1751 246750.9549 137235.2246 300055.9569 Abscisic acid_[M-H]-_JLIDBLDQVAYHNE-LXGGSRJLSA-N Abscisic acid 14052.4181 8660.7484 10910.4950 6563.7139 6620.8866 11898.6875 16897.6473 20310.2649 18662.2799 22995.3510 10211.1035 38553.4554 49658.6530 50762.4611 61864.1213 39014.5897 27134.0173 20988.7291 36875.3865 36498.0927 15124.2905 16370.2554 30629.7384 26516.9377 32504.2084 22523.8579 35138.1273 62752.7469 67723.2590 44537.4009 47891.0688 47022.6604 39464.4281 40483.8412 53949.0858 57558.9300 41859.6686 23047.3541 30244.6213 38714.1033 29489.5763 25375.2872 23010.9943 25784.3911 25968.8657 30187.1392 38664.7212 48029.2542 26107.5048 52521.7467 32320.1419 41558.3343 34312.5523 52377.1555 40445.0018 57824.9015 38704.3398 40499.0183 34562.8019 38821.2948 25671.1023 50059.8686 34318.1565 56139.9065 57821.3153 64717.2127 42441.4220 54738.6166 30833.8524 44110.8154 36620.4766 34467.6267 21333.6060 74126.7809 34639.7354 35101.4569 49942.7333 49976.7485 Acetyl-.beta.-alanine 1692547.3960 1477372.1540 1751137.0150 1553781.0200 1573123.7900 1477272.9160 3270902.1400 2840687.1980 4208178.8580 717450.2953 2620456.3090 233487.5193 732536.9641 1225886.4270 253398.1935 1380773.9600 1315463.5350 419285.7452 741638.3904 701824.1336 758823.9302 2367480.3800 192856.5959 245561.9586 2322737.4170 729862.7007 365588.8140 582367.6931 212730.1290 246157.4423 325934.7786 411331.6925 147449.7954 1003446.1450 207512.2592 258361.0762 622289.6853 903474.4783 304068.5335 107166.3057 227531.3983 153025.4870 109941.6342 92834.0566 75878.6355 95139.1576 254649.7538 330245.9304 347909.0110 378162.8254 1050231.2290 1131247.1960 1276046.3710 281868.5864 367438.3683 368052.3360 215562.0298 195638.9791 252225.2286 525175.2231 332772.3633 263287.3466 249233.1575 576028.3388 272431.2288 845167.5246 126217.5710 228941.9151 175213.6867 298171.9548 186850.2486 202264.1067 206483.5012 195117.9842 199065.9578 285479.7214 250564.2038 410267.0976 733282.2500 487305.1388 294194.9830 606036.4119 485691.9993 222408.2570 606211.9960 Acetyl-L-threonine 42186.8937 1087605.7930 884628.1974 628123.1197 26810.9428 18409.9989 21597.2296 2454.5604 28445.4043 308712.0054 6794.2173 2295.1794 263663.6674 3243.8578 49322.2391 2729.1388 544556.8043 496247.4899 470305.0845 411790.9308 13275.7559 6948.1117 304982.3219 9069.3162 324171.8728 301143.2670 5009.7437 3266.7577 160379.1968 187377.0268 2507.3740 220743.3028 7242.2745 367.9362 176357.2142 234585.3129 279307.5496 740.6311 5384.8436 28121.5882 12173.4681 8895.7539 8385.9188 9804.5761 2904.4827 700.0952 269856.3854 2596.1460 5065.1913 7276.5706 12033.9410 6224.6950 221174.2477 2499.8197 212378.1377 179538.7087 3553.3239 302166.6088 291427.2090 4951.0831 151067.1975 6251.9655 879.1111 182543.7747 1686.4603 3846.7629 10102.8653 786.9167 760.0705 97342.3800 166871.7760 103054.8386 7995.3741 1732.6473 7819.2711 2286.4145 2671.1218 6759.9097 5444.5017 Adenosine 5^-diphosphoribose ADP-ribose 301855.1881 478221.0293 419789.7175 325464.3011 211822.2961 177904.4695 380671.5926 148038.8622 536816.5715 345945.2609 520902.2581 473538.6336 537660.5882 393687.1631 408229.1986 616417.0221 256706.6134 296868.3365 538041.3170 387202.1406 37215.0676 53515.4938 90583.9300 55859.5325 140608.1443 301584.7342 180419.0144 86003.7679 74710.8212 72187.3100 243502.3479 284187.8007 1063.6057 158764.8234 202922.4342 210171.1764 149630.3592 225392.1414 256953.1777 251811.9201 283704.2291 358576.1126 340880.6601 225194.1171 89722.3332 76784.0465 70066.1013 221610.3526 34882.5088 3600.9047 111557.3420 103129.3094 175162.6175 322941.8773 163361.5601 88289.2356 59391.0421 9312.6641 8353.1617 5480.7219 279551.2236 49098.5609 222567.0800 75670.0800 104770.5629 286209.7657 102623.7246 8581.2900 337303.5102 262269.8587 155605.2222 335272.8127 Adenosine 5^-monophosphate_[M-H]-_UDMBCSSLTHHNCD-KQYNXXCUSA-N AMP 26496.6186 11128.7398 28392.3756 48302.2841 21713.8516 24773.0338 27477.7765 3689647.2740 7441473.1460 3520482.6940 3121942.4280 1261897.3350 1705572.4270 2188714.0560 1714248.9170 5980909.7100 3586129.7900 6691153.4040 2530277.3390 2745271.2840 1848008.7540 4452454.1340 3195232.3280 2020566.7960 4803507.2080 5581627.7650 3516913.3620 1071414.7930 1161131.1150 1626207.2660 1395242.8110 2040727.9340 2844073.5260 2539162.2600 1365930.4770 1509088.1660 1653918.6300 2296615.3330 4156317.1360 15548.6102 61614.7425 50729.8286 68674.3242 53302.1220 63698.4513 78648.8250 2229970.5850 2314995.1540 2320929.6590 2184133.3930 2371345.1520 2585698.8770 2706282.4710 3447719.9600 4760022.3050 4717164.0870 2329078.1170 1276101.7650 1062305.1660 1111684.5230 1125061.7680 811076.5224 697823.4560 1561439.5440 1287401.2570 2254324.6330 1519790.3530 1567471.8490 1273149.6380 1349244.0840 747919.4118 868415.5756 777087.8702 2280875.9880 767696.6442 2357354.9130 753266.1259 1395694.6500 2145388.0080 1241650.1690 1122962.3650 4319239.4720 2139648.9220 1929192.6700 4301463.8520 Ala-Ala_[M-H]-_DEFJQIDDEAULHB-QWWZWVQMSA-N Ala-Ala 636409.5451 517010.5322 447880.3945 361194.4926 421279.4031 407672.1463 443127.3420 255649.7999 414805.8485 339816.6518 346325.8220 641214.1022 309412.6393 503506.2544 961415.4192 287067.0234 230220.8721 315208.9592 441847.9316 458584.0360 405764.4453 292691.4119 368505.1269 168033.1996 196696.5435 113092.0564 321746.6333 183046.6657 487950.2603 433143.0821 337562.6295 158733.7433 346115.5536 180867.8893 702610.7868 308788.1111 366067.0135 308654.4570 274249.2064 15619.6296 2163.6238 4557.9105 203004.2273 179043.9300 161519.0492 122905.6039 129597.9370 129525.7956 144241.0013 105848.5626 352584.6008 61140.0828 122089.9293 68504.5609 52095.4681 31454.1973 59825.6220 30038.9849 115434.3963 32823.3915 13797.1080 32952.5260 106096.3023 34269.7822 126115.8016 35787.8248 137591.1566 42806.9126 71584.5888 63667.3247 41894.7514 45761.8203 36167.6753 29098.8278 53918.0771 62011.2807 84640.7504 46635.6179 36250.8342 86854.1925 68040.8981 Ala-Ser Ala-Ser 62547.0373 52068.4789 72766.4517 90191.1195 67631.6368 78957.1876 61635.0718 230677.8261 323929.9286 253773.0618 311378.4823 575806.7826 332308.3674 357679.5305 778196.3593 278745.6882 256216.0227 202356.3358 306077.5449 341226.2831 314118.2862 311613.7469 158716.5223 165257.0461 248869.9464 120469.1900 343984.3312 208012.4894 277319.0536 226819.6344 348494.3095 157699.1103 203731.2592 253397.3606 538709.2079 293591.9523 397766.6535 250007.9453 244590.2507 56457.6798 3732.7186 1304.0941 10442.7793 1359.5098 176310.1192 161442.5679 154652.6171 141362.2702 156048.9727 146388.5226 170822.3846 65037.1307 113124.9249 62459.4624 78932.7795 85951.7172 74918.0493 75563.4470 106820.5260 186654.5971 168829.1391 85078.4124 68398.1428 95205.8262 83344.7209 64570.6407 118357.1439 77342.3140 139633.4075 83009.5446 146460.0937 63088.9650 60384.8736 50083.5533 35476.5965 79376.7036 111423.7957 113634.0411 67762.7664 82696.2999 75449.8363 92801.6644 102863.5271 Ala-Thr Ala-Thr 5405.3673 6995.9436 12213.2560 10328.3379 13956.4324 8634.6295 18127.1643 554867.5579 779366.3050 439890.2774 628808.0512 851698.2054 604984.3139 1114076.2430 1080172.7810 768043.0559 552944.6406 371517.3065 842016.6406 786945.0301 623492.2796 681242.8881 387032.5908 302794.2658 510227.2191 284718.5654 580537.8974 501305.9546 463585.0600 463968.9016 636466.1144 299146.6739 499560.4304 369111.3686 837045.2148 400335.6381 722794.3461 583266.2563 504296.1668 23629.0727 3232.7578 361876.3500 460853.3783 434137.4855 369534.7627 483673.0131 463983.6332 464764.4633 214555.9879 331964.7319 207092.8399 281510.5804 127687.3210 151258.1079 96080.6305 201946.6172 139287.4785 245687.0383 137623.8389 110460.5644 183614.8307 199948.2335 126289.7225 285437.8049 115930.3675 249878.3008 124041.4104 150156.8832 144387.4329 125975.7140 119606.6688 73874.7377 124911.4471 204831.1180 191645.7893 216686.8169 266952.1538 131928.7854 159655.4282 275560.0916 Arginine_[M-H]-_ODKSFYDXXFIFQN-BYPYZUCNSA-N Arginine 4246639.4220 3224117.8480 3351243.2070 4055304.1350 3238881.9970 3400403.1080 3186063.3260 379713.6483 362021.1021 413249.6627 538003.0383 628282.2088 402214.1826 946070.1127 578477.8449 535253.9409 456218.6194 374787.2444 541777.3983 378727.7052 660907.2729 492717.2713 754879.6862 381403.2888 427413.1406 445617.6599 328371.5128 393052.2401 728747.5041 789975.5321 588455.6718 350924.9588 456505.8986 471442.0952 670724.8568 466841.0874 707177.0310 376778.6665 290190.6515 22879.4653 134146.3342 24146.0566 8639.5843 30080.5232 69004.9179 7681.4671 521949.7324 478546.5054 493715.0590 443589.4741 499819.0689 514050.0944 519145.0997 657262.6588 628854.8299 405942.7674 728882.2521 570065.9896 450329.4058 556555.6686 700917.2834 753217.4586 1070762.3820 550013.8689 392861.1042 546103.8953 661286.5292 392094.4605 947116.6023 429811.6047 591846.4081 408351.0014 645128.4354 427355.8586 315943.3742 378903.7107 432443.4644 604117.3331 822312.9736 625146.0945 859240.0457 557795.1136 718754.4260 844213.2952 585626.5523 Aspartic acid_[M-H]-_CKLJMWTZIZZHCS-REOHCLBHSA-N Aspartic acid 700614.1990 575698.6157 685055.9033 1053693.4820 589259.8470 771953.6730 581076.7188 40443023.0600 44858915.0800 35111434.6100 48560207.5600 28047754.6000 27227073.5000 27889748.1900 22386679.6900 42240930.4100 44882356.4400 42697155.5700 39353914.7600 37919866.6100 42497763.3700 52265032.9800 48780284.5500 21433086.5300 30501504.7500 29172672.8600 22260026.6500 8136902.6780 14222123.2100 16882937.8300 13281071.0500 17985580.8800 22921741.5700 27273193.6800 19827819.5200 18944064.7000 15402366.4000 29035785.4900 22108778.3200 226151.3662 934255.0161 496877.5582 444248.0322 425260.3008 574257.7742 427177.8682 22050820.6600 23090143.4100 21728867.5000 21264335.5400 24032425.0500 25518744.0300 27962007.3900 28433673.4000 22194756.8600 25612196.5000 19991512.8200 20131069.4700 20993274.5100 20024655.7500 21050557.7500 8919367.2310 9652172.7580 16609672.8700 13349405.2200 17823345.5200 16561421.1700 13829895.8000 14140686.1200 15614020.4900 11692734.7700 7910365.0800 13895574.4800 17554959.5800 10542340.0600 16703451.9400 8318232.5760 21956884.8600 25888095.1800 23173100.0600 14294554.2800 27230816.6600 30514042.7800 24895155.4000 24586730.7700 Asp-Glu_[M-H]-_CKAJHWFHHFSCDT-UHFFFAOYSA-N Asp-Glu 1906.4541 2239.3900 96118.0427 152834.2771 122412.4101 113740.2304 95451.1391 43603.5105 65678.2159 19186.1266 89240.1317 39429.6365 92115.0155 86464.9327 108531.2091 101566.0441 94867.0006 91967.6119 48895.5047 92425.1621 73297.0537 92022.2380 8630.2458 24097.6568 31031.3986 23726.5605 78261.6684 13320.8632 18829.3636 63212.8374 89944.5631 66834.1008 4833.4046 34430.4543 39058.3366 36072.7655 32637.5716 48143.7288 38346.1488 958.2716 4205.0697 14328.5909 1004.3050 13995.7937 2616.6755 9686.0698 8844.2656 6700.1378 17117.8573 11367.7330 4378.6836 5989.7793 1921.4519 13935.6639 21260.1519 3334.5557 16278.4284 11884.1830 29471.6655 3587.5572 24827.4990 Cellobiose B_[M-H]-_GUBGYTABKSRVRQ-QRZGKKJRSA-N_Maltose 2326.1522 3417.7351 2502.9058 652925.7790 245544.7475 334552.4781 466689.4253 445053.0306 911101.0595 778455.3323 630091.4440 1383144.6830 1104154.0630 957417.0635 769629.7166 732076.5804 683414.9760 867243.4875 664671.8289 396053.1712 447172.4764 647829.3086 402504.5421 1245029.4440 214380.8879 287490.2108 577278.9058 806055.0308 490015.3135 844334.8631 968601.4832 477097.1429 467256.0285 478640.9851 565246.1448 20450.9382 56109.6101 77192.1941 40898.6850 73851.8542 31473.4691 58039.2252 817601.4092 994995.0712 796012.4227 836494.2625 837614.5736 985833.7925 978724.6440 698535.5651 615588.0034 1227861.6860 723944.6219 1008842.2290 1089383.9680 1194908.7020 1549722.5820 871253.4728 584949.0390 901025.2256 432826.5327 553683.2973 318100.9161 1076562.1100 626754.7679 501535.3956 910985.2921 646235.6660 858026.6446 434908.7994 460501.1959 574432.4342 535222.8465 1799936.8690 1177342.8430 1402520.7300 780940.7994 1749928.5020 1447494.2590 1695292.2580 2280804.7840 Cholesterol 3-sulfate Cholesterol sulfate 281416.1107 296893.8230 230688.4376 273319.6958 239560.4790 385543.3751 334267.2515 1560402.1840 1492736.8680 2088593.3070 1339878.9000 1306055.0520 1298428.9380 1083129.6270 1899343.5790 1603977.8290 1512171.7010 1518768.6040 1781791.9120 1506434.9650 1199990.0380 1023972.2390 1473765.3010 928825.2308 1111719.7210 1073740.0130 1248340.0760 769815.0041 1045330.7340 1033004.7040 794492.6970 1235146.8390 1851583.4940 1863309.7410 1105062.1070 1203844.9020 993667.0246 1142143.6770 1399093.9430 464079.3385 17858.4758 7735.2245 37733.2442 28471.5871 9059.9248 1233816.8700 1296900.0350 1099821.1310 1158610.4890 1222341.2930 1209907.0930 1357168.7000 1817317.1000 1680202.5730 1534951.3020 2055591.0340 1240403.7790 1166518.3910 1095687.9470 1664222.2550 1197171.6190 871658.0020 984791.6105 1463318.4950 1237601.1270 881912.9837 1086055.7820 1519973.0450 1017215.5590 588515.9681 595448.6455 620520.0990 1783933.1850 1299122.8070 1447927.0550 1193100.5990 408686.3334 1668528.5640 723437.2359 728686.0978 1378326.7990 757478.1160 883714.9789 1316070.4820 Citraconic acid Citraconic acid 109161.1946 102767.2820 102429.7134 164753.0548 110529.8936 129673.6504 124403.9839 1095689.3590 3664856.6130 2755718.4740 2226767.9000 1190536.3140 1512325.5060 1436114.8890 248144.6664 2625136.0990 1365787.9850 3376769.8000 3393212.8480 3321132.5530 1839461.1030 1092780.7300 4793378.0870 1808174.3670 1457584.4400 2602002.9790 2223480.5940 134222.6883 583406.2676 1051402.8660 422910.6540 810733.6543 1587550.6030 1910499.0510 403135.7038 1558581.5130 1322739.4260 2218281.7760 2008539.6760 110247.2384 113592.3041 102160.4072 89209.1877 82664.7392 84359.6402 90539.5618 1345337.9070 1449890.9380 1308774.5140 1263832.1450 1284571.7190 1083463.7020 960159.9063 2700194.0410 1667183.1790 1974179.5120 1021970.3050 1113684.2900 1164380.4730 895722.2327 1038008.6040 234302.3421 288511.9057 586291.8564 513374.6800 347762.3282 1575264.0550 700974.3181 532438.9188 710736.8613 154843.4639 154266.8800 353903.3658 1004156.9410 178482.9068 1004642.0940 363061.3482 1251125.2830 720471.8151 528151.1508 512616.7094 1581746.6360 3135256.1230 1847555.4510 808717.1526 Creatine Creatine 3122449.2700 3027305.4350 3246986.3380 2729245.3020 3502986.9010 3658731.2560 3910161.0010 5633456.6820 4646303.3280 5002678.5820 5902500.0540 4059485.4680 3216841.4130 7392565.4300 4485507.4770 5326956.5400 7116453.0390 6911240.1490 5977472.8710 5621369.5150 7873124.6770 9052159.3790 8202746.6980 4026051.6050 3695245.9690 4597036.8920 3796536.1620 1311036.7230 4157249.9570 4020250.1450 2023626.3700 2539683.4990 3060422.6820 3140974.8760 2863450.0340 2217950.7990 1960014.7150 3013847.7290 3237749.8430 2355.8691 2096.9252 1733.0285 1803.9242 2039.3447 4411727.9890 3938869.5410 4036157.1010 3722654.7480 4059740.9950 4036169.3400 4201941.3870 3994923.8140 4547185.6690 3816880.1190 3390741.5710 3087687.4100 4129864.5990 2838164.0540 4174474.4300 3326279.4410 3718562.8930 4202945.4670 2539711.1380 2700594.0260 6627134.6610 2240086.1600 2207297.2330 3041097.0410 2765148.0340 1216573.1260 3575437.1500 2319340.5390 1993437.7480 1993252.5960 1688072.6770 5640327.8240 5588014.2740 5806545.2610 4144039.5030 8581643.2280 6304226.2850 6339577.8690 4685382.4860 Cytarabine_[M-H]-_UHDGCWIWMRVCDJ-CCXZUQQUSA-N Cytarabine 186824.3175 167952.7927 173109.2819 232377.7170 351697.2024 370255.8650 244364.8231 65997.8176 203370.4815 232388.8602 335983.2076 328026.7631 361575.7523 185596.4831 212936.8644 402256.5532 168610.4527 113360.9334 72418.1921 141109.6677 100325.8250 94110.1120 341884.8332 246343.1055 224156.3866 228613.5624 167787.7581 98669.5451 114128.7843 247021.1780 216644.8345 160658.4361 269802.3971 229775.5697 192561.6558 169705.9652 193261.5557 151756.5572 176215.4660 55590.0083 53734.4689 125670.1045 202465.9413 292238.8597 179396.0619 169756.7879 188182.3628 286124.6761 221829.1770 113400.9914 170149.3855 136179.3654 63564.3320 190455.6917 23762.8883 117449.7173 42412.8385 61969.5117 191747.9132 162233.5140 90337.0112 98817.2694 103354.6718 141286.8872 117831.7120 143704.3569 54270.9912 111336.4829 151361.8887 265165.7300 114779.2771 Cytidine 2^_3^-cyclic monophosphoric acid 2',3' cyclic CMP 467194.7677 712382.4643 531489.0724 482567.8470 624392.0517 905000.0786 473717.2618 602379.8569 734548.2535 334009.9377 576538.5657 809932.7384 882347.1392 301259.4428 619355.2513 414002.7068 579298.4910 604411.9756 410935.2069 718661.0189 428155.2863 571335.3570 783042.0847 665189.7691 685960.6007 594209.3461 664434.9269 627408.3207 981308.1473 701831.6101 643933.0624 573567.7351 2447.6692 393310.1300 361487.2913 361982.5726 328341.3229 342848.5582 347992.3831 352166.5418 317494.4130 200800.4985 100621.1531 207165.2619 173391.9414 129152.3264 78095.5922 241545.3182 129155.5617 39613.6871 112416.2612 178375.9355 137157.1569 91465.7726 101009.9336 96140.3005 81344.8343 11320.3539 22966.1261 49940.5599 172149.7341 80335.3951 252945.7850 85606.0134 44474.7411 120336.2240 15935.2368 47038.7180 81733.9657 42921.3821 66634.6144 142903.3461 Cytidine-5^-monophosphate_[M-H]-_IERHLVCPSMICTF-XVFCMESISA-N CMP 2489.3326 540934.2605 645459.5750 390394.0067 440473.6606 562978.1326 904206.2914 582667.2072 564396.2419 570639.8477 372725.1942 411352.6383 520864.7053 685695.6403 203343.6859 381789.4653 271177.3525 544111.9127 673577.0091 289210.6086 640553.5924 412748.8226 890066.6812 910140.1862 640065.2866 581551.5975 560479.1114 535631.2145 631502.9011 871291.2803 665682.5707 479052.6761 472430.9973 319609.0345 346456.3818 301357.9995 281228.1049 305186.8771 315664.3928 324306.2756 126371.0715 38488.1764 22086.7677 64018.9719 69028.2576 54849.4410 23211.9608 99676.6302 108658.9606 55100.5656 41252.7192 87830.0788 60445.2103 56344.2326 24217.4280 58368.2311 22098.3202 16964.2975 22725.8713 31362.0680 79084.7106 45209.3306 73637.6481 17138.0226 4923.7192 81971.4902 3604.5241 51289.9697 8926.2942 21846.9655 47992.4373 D-2-Phosphoglyceric acid 2-Phosphoglyceric acid 213059.7307 347559.9440 341937.2364 292515.2818 302551.5085 626193.0208 132340.8658 2977747.5030 1658976.1550 1117650.1160 1759472.5250 1191875.8310 2459069.8440 3173865.0690 1411049.7450 4586274.3960 4946816.6870 2304640.3860 3647850.1300 2950167.6710 3218982.4210 3477685.6130 2976391.4130 1367355.7200 1634847.2610 1773111.5220 1109867.6250 1057425.9540 673356.4673 1019739.6490 1418097.0790 2371897.2590 872778.9516 2301790.3740 1345516.1690 1366975.1340 1331509.9090 2201142.6640 1510734.5620 15899.1911 58557.6153 79388.1615 64380.5816 34715.9455 46682.2261 96464.5612 1506730.9480 2055266.0270 2500452.2990 2457335.5910 2918022.6090 3641220.4070 3513008.7330 1001201.2660 1329122.0030 3941035.0230 1207466.4100 2753756.2520 3407901.0980 3852495.2550 1520465.7690 1162776.3990 868099.4316 3818185.5830 1374838.2430 2609445.1230 1036812.8210 1640788.1090 495994.9080 3040653.5210 2317700.2860 1969090.6100 2454566.9620 1541483.1620 1689277.8210 1463348.3160 1160338.3450 8433592.7060 5271738.6690 8297591.2230 1575793.0320 6065146.7910 7358943.9850 3065180.0880 5600064.2700 Dehydroascorbic acid?_[M-H]-_SBJKKFFYIZUCET-JLAZNSOCSA-N Dehydroascorbic acid 1152.6474 3619117.2900 2995325.5390 3739172.1290 4092041.8650 5932873.4050 3135483.8210 231364.2682 6019494.3630 1170986.3390 6629366.9910 7743663.1910 2358758.6710 2183512.7800 6542361.7950 3880947.1400 4336685.9010 1081805.6390 352391.6836 507491.0286 1699099.8480 868539.3931 2277811.1580 3110191.4980 1548591.6320 1100718.2950 816477.8989 963059.0989 3170346.6910 1865270.1470 759227.4364 1488208.4390 1348094.0780 1528.8829 694099.8429 1016723.7990 993799.2919 651262.3077 529498.7555 403180.2155 433154.8809 547416.9299 186734.3720 213511.5735 94195.5405 359836.0154 163656.7812 91066.4536 90464.7171 16850.6338 399868.5139 54227.3190 37572.4950 20056.4372 615690.5409 43330.4948 203819.6644 288417.2230 2582729.9940 552579.8951 842387.6304 184259.9827 1228047.9760 126152.9889 737234.8044 1111173.8980 210478.8645 2288879.0860 1908178.5340 127179.5543 797907.3832 2216881.0760 198157.6813 Dihydroxyacetone phosphate_[M-H]-_GNGACRATGGDKBX-UHFFFAOYSA-N_Dihydroxyacetone phosphate_[M-H]-_GNGACRATGGDKBX-UHFFFAOYSA-N Dihydroxyacetone phosphate 10328.3379 2774533.3720 1617450.2430 1352610.9160 2153832.5290 953620.5857 903175.4862 756539.7246 796281.0885 1638444.9620 2789091.8450 2815510.3070 2023942.5140 1321891.2260 2591993.8260 3132184.1550 4040746.8830 380419.7897 417601.5386 408626.6801 371511.4970 180808.4996 1234971.3130 1337729.5210 294406.3684 519412.8837 1661211.8370 600637.2436 525640.3009 1515989.2770 243070.7869 749145.4152 404826.0507 3186.3892 3015.8430 327.1139 9079.8798 881549.3626 819919.7219 839701.7537 713383.2285 969860.4152 1196339.7180 1074138.3990 1374278.8510 2047852.1010 937085.3495 805165.6605 1002886.1870 811913.8390 1009788.8470 592500.0137 262443.2922 293280.7386 694593.2511 283109.0036 691000.9612 2278847.7610 391949.0931 385068.2574 551776.9165 981260.7168 540571.2114 750755.7660 597000.0597 506778.1787 527896.4298 323198.1687 2356490.1680 1990160.4410 2129311.0360 1303719.3510 1409757.3210 2022731.3730 1483898.2890 1723862.3450 Dodecanedioic acid Dodecanedioic acid 453463.5502 318433.2875 355257.8907 362257.5392 322049.3555 310339.5577 288967.9049 207991.2338 202677.9053 194454.6796 181315.4668 299630.7788 334305.1333 280414.4517 278636.6290 304047.6886 240257.3939 213419.9680 279783.5673 413873.8989 228111.4337 264377.3297 258543.8155 219189.3342 226085.3591 243215.0861 221609.3380 235312.5893 328534.7242 338495.1190 232718.6489 283827.8151 243584.7933 246124.9481 263919.9683 337736.3784 267684.5089 263979.7524 231938.6336 165813.1467 216187.1400 133877.3329 167616.1919 165467.3024 117070.8957 84581.4036 400057.6565 372878.5308 312770.0292 306498.8299 349452.4472 345997.7812 373426.6239 344785.2136 582941.0652 275509.5741 407172.7229 302083.3501 277049.3213 314069.2047 360864.0576 352010.9589 345457.7482 268236.3236 300768.2855 274432.3081 245424.0949 257239.8462 340269.6804 206288.3247 254699.0603 182408.1142 237159.8821 381063.2051 175472.1898 239174.3250 257476.2105 292508.5664 253629.5191 266251.8621 359690.6295 362712.9998 304607.3078 361293.1898 437664.1462 D-Psicose Psicose 8443343.9640 18948453.8300 17043770.4500 19269185.6200 14676584.3500 11693646.9600 8101634.3430 846877.1229 659523.8894 742418.4503 755360.7632 420900.7011 1360522.0990 1489337.5410 783738.6767 1136528.7270 1003334.3330 1387889.7670 1215077.1800 1023358.8860 1546463.8790 915928.3186 571838.5178 977366.2087 1410446.9920 426886.5442 567444.6734 6519096.6390 2028869.7020 530116.8627 1203979.6110 1123459.6150 1512478.9710 812971.0549 426914.5051 721923.7074 934111.7536 632894.4615 589436.5257 435892.7612 585065.5652 987501.6148 686632.1634 575596.6220 875974.0228 558381.4571 1036268.8770 2105837.8510 3242655.8760 1206982.6730 1372236.4080 911493.1675 1291962.4220 1035953.1400 1144838.6450 787798.0291 748310.5687 973574.2794 1138775.3900 1035117.8630 2101309.1940 1085112.5110 588792.7433 964292.0077 801386.1334 744386.4652 411490.2804 828752.2887 1823876.9060 840085.7435 304798.0934 664141.2359 1771574.8460 437182.7807 895894.4802 1089752.9240 5791679.0060 1875520.4110 1081772.8600 678800.4766 1123190.6850 1129889.9120 1015150.4660 1376843.7950 847464.4789 D-Ribose Ribose 3548.8175 965.3350 507244.1966 424949.5304 320010.2274 365019.3876 374239.9942 831151.0418 457296.0168 465015.4858 1092052.6660 412851.6101 411323.1472 733014.7480 802064.8966 350753.5191 361819.9423 673713.2980 279749.1883 371664.4404 219180.4955 220455.2240 222455.4484 511767.5492 333046.2086 355275.3739 638396.7643 974915.2636 676573.6971 824048.9649 957404.1660 467218.7399 536953.5942 367564.0747 574110.7891 600007.3489 570506.3035 509981.0787 587666.7584 582222.3597 592411.0918 1302958.8310 1277627.3880 955317.5063 1249681.2640 836695.0746 770914.5014 870728.8822 1146277.1930 916694.2764 766405.0019 888172.6529 505825.2062 874122.1243 507902.3202 472398.5717 1105054.8660 506697.7525 361822.9753 411826.0789 372758.8065 679848.7806 445609.8778 545928.0695 335136.6461 456719.8937 1090009.6820 539914.7771 810802.4665 1190753.2550 521199.4360 487336.5751 798220.1796 Ethyl-beta-glucuronide_[M-H]-_IWJBVMJWSPZNJH-UQGZVRACSA-N Ethyl glucuronide 11953.5021 46107.4675 60390.7362 25068.7192 33509.4691 28259.5065 30252.4008 408.7674 1931.5576 5396.1079 3680.3062 23585.8146 12621.2156 1264.8823 7602.2530 279.6787 5871.3756 7590.8314 7891.7959 7626.1509 7696.7575 1300.1604 42120.6859 284.4556 1474.3660 3327.0320 13078.2246 10574.2514 12240.5659 20182.7578 986.0358 11345.0582 13922.2294 10804.9008 1480.1794 311.8824 1373.7207 18185.3920 16750.7310 6508.8332 796.4255 291.9146 3659.5910 14944.9351 12817.3012 7432.5865 1438.1601 11809.1487 13983.0922 1100.0778 6718.4834 1351.0275 3607.9748 4782.6293 3461.4881 1640.8872 6822.3088 14695.1864 5124.9475 Ethylenediaminetetraacetic acid Edetic acid 1289551.1390 1024730.4430 1225520.7570 1057651.5330 1257890.8230 1122925.9090 480342.0076 34505.6429 6993.0968 8330.4792 30083.7473 44268.9022 133279.0977 5046.0010 305974.9392 102975.3333 15928.6041 86091.6810 9217.5600 55707.5594 20015.3511 80491.1090 5066.5921 5614.0365 179896.2332 133999.1121 17520.4228 431423.0328 80945.9845 42319.0929 2261.6228 21284.3316 81368.9465 37617.5496 33266.9762 47272.3387 1851.9714 1488208.8580 1427169.2930 1335710.0710 940728.3467 1594308.3980 1511437.1400 2842725.7560 26736.6980 8390.2250 238135.3003 9419.4286 20312.5252 23423.5992 45473.2506 34402.1759 182945.0785 85778.4244 111565.1805 5448.7029 94049.3199 31956.9260 8710.5183 15653.0909 4606.5106 14954.8432 318069.3159 12672.1514 166039.0699 44351.6379 78156.3594 245180.9611 16349.9674 112287.6324 Ferulic acid_[M-H]-_KSEBMYQBYZTDHS-HWKANZROSA-N trans-Ferulic acid 49125.8309 23390.4581 45444.4583 63176.9450 29649.0002 27586.3316 21323.0516 53738.2482 21278.8965 20703.5768 24052.0174 26353.5310 34056.8226 37701.0295 44360.0451 34108.9056 20617.6290 25777.9056 33740.0780 47175.5515 18363.9879 18317.5545 24517.3017 18528.8228 21546.5245 26043.0923 19666.8095 36752.5373 39847.2107 33426.0241 36391.0429 33932.4922 23978.5445 18733.6156 31104.2800 40777.6125 23442.4234 25415.4943 16902.7872 14987.9130 20182.9263 9696.5485 13190.8728 12549.8344 9290.9040 3043.9756 84755.3965 79187.0548 51600.0941 54768.7861 69752.1187 66585.8114 85989.0224 77567.5860 88263.7134 52262.3595 48560.4566 44668.3052 53360.5661 45325.2089 65138.4891 44568.4690 58640.4591 49930.8308 66931.8918 38977.1788 41092.7868 48209.3401 54353.2532 22302.4659 51199.7539 33723.8630 42829.6598 44564.8429 35938.4309 39577.0173 30253.8935 58320.2866 38601.3309 44666.2184 93439.1050 65044.5558 52704.9550 48989.0275 48767.7133 Gallic acid Gallic acid 30531.9822 21294.8442 31969.5702 5932.2801 11532.7651 26955.6626 114919.3886 59219.8378 73087.6538 84185.8480 63495.9937 30843.6616 22346.5759 25628.6097 83354.9768 181625.4292 156125.0093 70913.9672 55467.0571 111548.9582 106880.2477 147182.2065 19753.4002 23355.7887 26787.0941 12560.8281 5807.4583 15063.3499 7764.3738 2815.3196 12617.3170 29302.2622 26511.2784 4286.7703 10679.3799 9869.3973 22864.6249 29710.3455 2694.3650 1712.1960 3307.7957 1615.0685 1033.6800 1190.2433 50570.0662 52151.4203 47964.5056 42313.8817 54803.0353 42052.5622 59402.8538 49303.7010 10265.2410 32290.2909 11823.0772 19502.6657 23221.1004 21846.6070 14299.5059 4172.4136 2562.4695 10264.4636 3467.5865 9193.1483 33878.1477 12738.1157 11376.7582 8506.3719 26570.2080 8049.0418 12456.0126 11784.2075 16293.8388 16941.8868 10000.5316 55278.8694 33027.3524 73142.5896 34063.0744 41806.7623 69927.8953 47968.3593 27255.4525 gamma-Glutamylleucine_[M-H]-_MYFMARDICOWMQP-YUMQZZPRSA-N_gamma-Glutamylleucine_[M-H]-_MYFMARDICOWMQP-YUMQZZPRSA-N gamma-Glutamylleucine 60658.8911 47455.3553 46475.7679 48511.6963 53300.1019 53752.1751 60863.9462 12835.1017 18473.4165 13579.9073 15831.2922 8164.8275 6779.5372 2190.5057 13180.6046 17423.6255 30008.5385 20745.9432 17248.3657 17119.6127 17268.0132 21740.0586 7068.0135 5598.8770 7910.5116 9674.2166 5310.0881 2180.4066 3103.7182 5263.1803 13826.1730 3310.1869 1335.9116 17588.1237 11007.7791 4168.7694 4325.2743 2051.8254 3776.1374 4956.7071 6885.8591 7060.0746 4334.3243 55790.3671 4268.7227 1924.5853 2712.0705 2050.8674 7624.1804 2346.1669 1341.3519 1460.1801 1144.3265 3700.9762 1243.8507 2840.1198 5305.5837 1321.2232 7342.6102 5423.6198 4317.6155 7596.5207 9996.6633 4631.8895 gamma-Glutamyltyrosine_[M-H]-_VVLXCWVSSLFQDS-QWRGUYRKSA-N gamma-Glutamyltyrosine 32224.1730 56259.8331 29755.0374 49817.5274 71141.2973 35794.2102 35520.0980 130000.2165 30542.1090 20107.2096 44743.3663 46524.2315 39555.7576 27843.5694 35181.9885 58141.9589 19120.2570 35398.8472 7753.6803 44352.4671 24199.3449 22583.7857 26499.0482 36459.7092 13377.5662 90977.7855 31886.0774 88344.0304 135640.5211 54740.6634 57015.8927 26978.7161 44833.8670 35708.9786 27061.8729 22616.1539 23610.7939 25437.3859 19945.3091 3272.4805 11001.0634 2658.0202 1839.6047 18559.0046 7866.9658 3612.8927 6620.3586 15032.0010 1890.1014 4463.9207 2724.7457 16325.7334 4034.3943 5619.8263 26354.4625 2454.2481 14113.8856 20986.0444 6303.5917 4267.9822 3635.7813 3310.1974 16604.9865 6111.6988 4644.1218 7572.6396 8644.2273 3124.1645 Glucose-1-phosphate_[M-H]-_HXXFSFRBOHSIMQ-VFUOTHLCSA-N Glucose 1-phosphate 6508.6155 11631.8456 15651.6402 9313.2482 3222.5141 21183.7562 2787.4763 1362164.6500 871820.9513 677291.0839 1148548.4220 1018933.9270 2105832.3280 749645.1981 2125368.1310 2451475.8310 2165998.1910 2084073.7410 1312502.3110 1510049.9180 1224699.2590 1198540.8400 2328184.5480 592293.3587 476445.3960 401182.1166 504525.5637 391748.7457 869548.1002 892297.2695 1160957.5140 859604.3384 782625.6790 791472.9226 1969033.8180 3041059.5870 1063256.2010 747788.5229 579988.7918 164378.3190 78542.1930 39866.0734 36081.9866 28610.6914 17117.9840 12778.4445 1261220.1400 1197171.0120 1261231.6550 845958.1806 885563.4948 851465.2311 902900.8862 789593.0174 660145.4194 924990.2340 585372.4184 889410.1808 782426.0905 766204.6161 558278.1576 736245.0025 413558.6755 535164.4035 301629.2035 348862.4520 432972.7281 315339.6719 293925.0585 792714.0053 1787618.8770 2290927.5910 908662.4415 507857.9137 435411.8881 402120.5630 508713.2106 1102496.4940 1322578.4500 1389562.9600 3057122.7360 1132711.3990 1100587.2500 1774242.8670 1140882.2730 Glucose-6-phosphate_[M-H]-_NBSCHQHZLSJFNQ-GASJEMHNSA-N Glucose 6-phosphate 62237.4691 94747.3002 84265.0914 94852.5393 77156.9955 97208.0365 49214.9512 6199086.1670 5466197.1450 3391911.2860 5263543.1780 5390468.4980 7495986.9210 4812436.4960 6697385.2230 8402224.2720 5944092.2490 6123144.9170 6609565.8880 4847668.0090 5052498.9770 6274306.0070 7656646.4680 4105253.7310 3187548.2240 2465662.7610 3151464.2800 2076626.4830 4553364.6400 4417427.8290 4154981.7640 4678930.4020 3746717.4740 4360074.5920 4952603.6550 8046676.6940 3167781.5300 4530147.2860 4074811.2710 68733.5868 59439.3066 74126.1466 65133.5594 53476.5827 57630.4626 67906.3293 3873828.8850 4053675.8710 4303035.2750 4078487.8910 4519609.9440 4730775.2750 4823793.1040 3231852.4730 2439266.8800 4474207.2350 2730338.0860 4517706.6490 3872776.0100 4356087.6760 2848529.3390 1823077.1660 1190039.2380 3175772.6230 1210263.9000 2149033.7600 1645474.3730 1640255.3570 1215555.0210 5176531.5010 6456968.9900 4259421.1120 4794511.4860 2400255.8560 2714980.4010 2575471.9520 3031081.3050 6607031.4680 5774193.7950 7767314.8130 8066695.5520 7295717.6980 6993703.1760 5934569.4420 6436512.3630 Glu-Gln_[M-H]-_MGHKSHCBDXNTHX-UHFFFAOYSA-N Glu-Gln 251599.8677 211202.4271 236397.1425 295335.1531 233920.8455 14433.2256 24899.8597 27381.9937 9136.3782 4877.8654 5993.9364 20923.5404 76464.5469 61249.4477 27528.1322 44862.7025 60230.6387 92905.8697 5386.3051 17153.7107 9920.9582 6661.6490 9673.3348 15403.5522 19265.7855 11214.9268 14870.5979 931.9740 46153.1410 54336.8587 47232.8267 7095.7917 9125.8229 36465.5873 60437.9104 23811.1850 6051.4923 18030.7623 4545.3174 10261.4318 26397.9124 10448.4505 8708.5678 33999.6127 Glutamine_[M-H]-_ZDXPYRJPNDTMRX-VKHMYHEASA-N_4-Amino-2-nitrobenzoic acid Glutamine 11860944.5100 11245453.4600 11679002.6500 10826447.9900 10604235.8100 10831585.7200 13565667.7500 19201833.3500 20272287.1900 29923514.2400 30483782.9900 21736822.5200 11905419.7300 30897185.0900 17429430.0600 14568073.0400 30658941.2600 24510867.7300 21566212.3500 29315338.2100 36647517.2700 38110608.6900 36709593.0400 23049783.8800 18025461.8300 27115382.9700 22178404.7000 6169251.9370 11265156.1600 17695090.8100 11069006.3100 7118914.9720 9423330.2500 12566951.2100 11475515.2400 6270789.9770 11296269.3900 13290727.9200 14138947.1400 158962.8892 292692.1013 144688.9047 139897.5667 128410.9659 309480.7720 123035.1614 11142925.3300 12286976.7000 10618771.3300 11469172.7800 10307294.4900 10519646.9600 9244968.9930 13111318.2800 14122330.1600 19771156.1300 10630162.2600 9169037.5280 9409448.2650 6922703.2740 16574062.6800 4626836.8560 12680639.4500 7923780.8750 9164842.9570 11037150.1600 23908861.3700 14072884.9300 9609070.8610 9846733.7950 9699728.2950 3764234.7370 10397795.7000 15064307.2500 6623779.8310 11068316.1600 9219975.8210 12555426.0400 8775435.8050 8289266.9400 7302663.2860 16861783.7100 25847730.6700 21981607.4400 15191507.2600 Glutathione (oxidized)_[M-H]-_YPZRWBKMTBYPTK-BJDJZHNGSA-N Glutathione 24697.3910 17475.9939 46181.6955 17923.1271 6666.7221 18945.7710 28231.0520 617990.8325 940885.7233 602712.5739 712039.5276 176985.6018 323459.3177 534700.2423 53630.5233 654976.6755 615241.6856 764373.6608 770314.2143 974495.5794 684047.9686 756270.9700 1263592.2200 362393.1437 520863.8897 730581.7004 360261.3178 55384.6994 71130.1442 158002.8721 120214.6749 153362.1110 284548.6595 390225.5107 65698.4457 194622.4013 172790.6757 533803.1678 404540.7491 2421.5620 10120.8955 16123.6403 21740.0211 15054.2185 17954.5740 23454.6227 201402.1368 251504.2971 339297.2829 262517.9492 377285.3230 489722.6938 417797.5193 229127.1857 277429.6676 763035.5853 193884.3618 319759.1201 228680.4984 300866.6869 299854.3943 94413.3661 30941.3838 216063.6000 111472.4420 273581.1870 339299.4274 299908.7228 44316.4006 205851.1277 32487.4991 123741.3453 94239.9585 245908.7596 140988.9904 255150.4323 69016.4661 390530.2238 381580.0353 242282.7240 32963.2800 681846.0076 753055.4788 247767.7007 459387.2470 Glutathione (reduced)_[M-H]-_RWSXRVCMGQZWBV-WDSKDSINSA-N Glutathione 23663.7991 80548.0582 172261.5215 55242.9645 80320.3420 105396.4512 6621582.5100 10233766.2300 8049086.8530 10977026.3100 5909148.6090 4162680.1630 4423048.9080 4292411.1710 2317041.9950 9921343.0370 7911892.0640 5781463.5940 6330982.9600 10694347.3500 11420570.4600 8352287.4760 4782702.7630 4770969.8860 5578454.0140 5610214.3220 1351404.2050 2106182.8170 4681921.3080 1715840.6310 1398099.3690 1407461.3160 3061164.4820 1466628.5620 1749742.1500 1409285.0150 5511768.1900 5681882.0620 8062.1993 64408.2581 116776.0505 164248.4350 182137.0275 168408.9998 175494.2385 573846.8574 818158.6577 1305677.1030 1164181.6020 1412503.9790 946469.6840 1342015.9120 898848.5148 458022.2541 1936725.6640 259474.2321 689189.8628 442858.2847 602576.7919 236334.2751 338596.3664 143345.1431 207837.6508 145371.0889 326395.8066 2218803.7740 345277.5047 95197.2723 460266.3490 1587542.1730 721543.8794 474803.9471 532769.9506 1245875.5960 419313.8645 359097.7005 3549837.7650 510093.7068 2239291.1040 164067.1250 521042.7539 2758411.3810 2403525.3650 686534.3195 Glutathionesulfonic acid 133696.1172 109911.7805 152132.0512 202650.2698 103123.2561 105118.0886 45686.3374 506343.5392 564105.8046 523823.6967 483974.9981 489139.2715 436142.4340 457778.1988 489711.6712 683099.2658 613810.8548 666486.4320 658443.6071 773762.9560 580515.4156 723029.2210 658496.0076 450158.9689 424922.2980 487032.4954 447950.1011 312325.6860 344876.5342 424168.5583 357508.6142 416808.5234 352933.3671 412214.0016 324738.6679 401144.0426 307252.0295 358268.7190 479736.3115 47049.8112 98653.4579 92396.7656 91106.3771 80904.4302 73552.3646 85788.3830 556046.2631 489809.8924 466792.8453 463043.1358 518854.8513 526889.9009 556269.7897 691995.1620 752089.5403 625698.9228 636368.2538 614375.7640 443906.7379 570351.9829 422488.2689 355073.9195 367364.4969 439681.5274 671729.7876 491284.2393 491427.7634 641035.7909 434000.2833 474479.7675 342078.0746 379433.2476 416076.4692 659327.9160 474523.3026 504539.9990 524497.1088 437830.5179 586904.1391 414457.1395 383111.1035 495661.1892 480827.1754 529155.5610 584602.0021 Glu-Thr_[M-H]-_JSIQVRIXMINMTA-ZDLURKLDSA-N Glu-Thr 38756.3956 36414.7580 37627.8922 50087.8828 36922.8084 33358.2379 28556.6384 6047.4110 3060.4456 7082.5371 18254.2516 4026.4913 1527.2017 12834.3519 6692.0578 6083.6190 13631.1456 9572.6753 14040.2544 19803.7533 5273.5919 24545.6579 3513.6359 3887.1561 3714.7585 3121.4260 6695.7557 4710.1643 5589.0170 4344.3935 10031.5702 4920.1151 73005.7618 7662.6742 4576.5182 2842.2809 14603.1755 2339.9321 5051.5734 16323.3639 5779.9891 11210.2171 7209.9883 7961.6714 6126.0381 5448.8942 Gly-Asp Gly-Asp 3729.4555 265165.8665 253575.7346 250281.4626 366464.4106 265361.9231 194220.7083 212451.9105 81822.9157 260453.5082 206526.2324 224886.6453 229834.7884 274942.9751 245331.8930 323586.9891 290449.5845 168597.9400 208402.9520 172340.9628 160585.4515 34350.9839 17319.6211 33494.6209 96042.0133 102311.5397 197778.0268 153474.8162 147962.7155 35706.9511 112200.0995 236634.2275 140046.7289 5073.8843 41297.9213 145187.7806 151497.3852 118675.4408 125459.8858 149962.4802 128173.0162 14570.0583 14555.8112 114634.3449 21677.6679 80253.4945 39506.0049 34417.5068 103443.2150 57018.2724 72346.8073 58132.1854 35228.8848 89652.2832 14185.9039 44285.2052 12624.2565 61934.7336 6583.3791 16997.2649 53905.7032 83103.1160 22105.4630 80179.6334 13310.8843 91917.8247 129276.5401 59472.5427 7786.9941 115079.4904 153144.5019 175036.4711 149718.3073 Glyceric acid Glyceric acid 184305.0210 108710.4668 116782.7055 247617.9443 84369.0661 118823.7713 56569.2049 240369.9169 775913.5385 781673.5245 234348.7386 304005.3855 306084.3233 416002.2964 227314.8925 863345.6707 923209.8827 1397134.7820 1068590.5440 987157.4478 735450.9272 245114.9528 2266895.8810 325213.7076 147128.9594 541436.2986 328550.1573 104529.4445 1181601.9290 1757391.4040 141610.0474 251424.4975 3067237.8240 382515.9237 227570.3128 1651906.7390 202068.7545 452766.0996 339836.6635 90475.4055 120402.6981 83659.7547 73244.2898 68883.2119 63710.1286 62164.1768 995269.4203 564336.5198 481277.3788 417263.3286 518134.0536 223994.3323 245294.2831 2514532.0500 5430436.8520 728556.7614 947725.9032 436683.4672 393244.8692 408148.1358 678722.3669 301193.6589 264172.1805 211913.7335 339451.3049 242480.9989 4277096.0650 369116.9774 456394.8330 231121.8359 173308.5541 136110.9181 201513.7021 481701.9364 178307.2041 389269.8012 204449.6256 166369.9692 543707.6044 218136.8317 509291.6002 322350.8128 307372.1301 452773.8701 209256.4266 Glycolic acid Glycolic acid 383255.2501 378710.9081 361085.8697 506656.0474 309888.9251 311971.5867 253053.4428 462880.2177 599762.3571 833231.8489 324297.8468 527614.6325 582286.4736 506062.1090 557193.3798 1166950.6340 920963.2092 1025176.0020 1015963.4740 1097482.3600 842548.2278 386624.1796 636233.8607 617147.7742 283916.5068 831432.5791 628627.7481 394574.3853 463037.1486 446725.2356 498186.9123 641550.5513 458804.9184 761806.7553 429202.0326 489161.2287 546799.0500 475115.5604 566932.2592 382655.5457 409798.3742 368359.1525 331621.8259 294635.4279 256087.4755 299309.1048 603195.0830 954379.2398 818523.3607 840715.9446 681955.8774 551757.6540 404963.2297 522188.5212 666655.1160 839671.1556 588177.4203 722187.7890 691645.7276 562220.3741 997907.0908 484929.9594 486097.2322 349932.0320 1000216.3450 268944.7030 431537.4448 749697.5516 451442.7504 451560.3480 375170.9178 370039.9956 528014.4132 621198.7518 569423.4155 741005.1133 676588.0704 381389.1736 605675.3846 424319.6055 551175.4342 551635.5302 498872.0899 529619.2244 651477.7899 Gly-Leu_[M-H]-_DKEXFJVMVGETOO-LURJTMIESA-N Gly-Leu 16471.9583 46343.6459 36895.7807 35283.9787 13964.3271 28248.7603 30417.0854 16431.8652 14415.9516 14005.9900 42910.4495 35044.2263 47550.6081 29849.6966 12703.9206 6094.9226 12181.5415 9415.1643 6332.3490 34031.7698 5475.8782 1677.4519 10794.2787 22561.6437 6267.4467 6475.8988 17516.7603 2902.7693 366.6174 31233.5334 34511.5891 26881.2529 1065.5937 10813.3629 11683.1282 6541.3327 5323.6707 2450.9643 2324.8299 4623.7856 1594.4126 4178.9753 8398.4569 Gly-Thr Gly-Thr 62547.0373 52068.4789 72766.4517 2511.3479 1342.3958 184567.2954 235528.1192 221754.9652 186880.9516 575806.7826 259007.1555 320437.4919 778196.3593 199017.0141 256216.0227 160745.2822 262881.1048 219558.5576 212841.2757 185028.7147 133622.0879 131124.0381 165873.7458 120469.1900 343984.3312 167076.7559 277319.0536 304983.6725 348494.3095 110172.1477 203731.2592 253397.3606 432721.2155 295506.8028 397766.6535 203064.9044 147240.4035 28196.2084 202.3442 1304.0941 2867.5939 176310.1192 161442.5679 122814.7532 124138.1843 126175.0815 131786.5811 136022.1749 95566.2285 113124.9249 62459.4624 120210.2011 85951.7172 74918.0493 75563.4470 106820.5260 186654.5971 374758.0557 85078.4124 68398.1428 95205.8262 83344.7209 64570.6407 236380.1999 77342.3140 139611.4141 83009.5446 146460.0937 66600.6568 63709.7883 50606.3226 34884.2433 79376.7036 111423.7957 113634.0411 204423.4670 82196.8742 75449.8363 128839.5696 101455.7314 Gly-Tyr-Ala_[M-H]-_UIQGJYUEQDOODF-KWQFWETISA-N Gly-Tyr-Ala 9741.9644 7236.9023 10020.0127 20141.1134 16856.4649 3595.5204 22628.5693 2957.9475 12943.9135 4006.1132 7982.1368 4032.0636 4793.5327 3151.7122 4943.6759 4669.8914 11079.0199 2787.8531 10505.8614 3507.9218 5075.6274 7213.0307 5369.3395 Gly-Tyr_[M-H]-_XBGGUPMXALFZOT-VIFPVBQESA-N Gly-Tyr 10828.2987 3523.7213 8381.0616 8122.3162 6416.0302 5315.2150 6241.1195 86017.1843 117463.5951 89233.2928 87108.7164 97359.8177 101046.8676 123000.8648 164427.7160 112783.1313 66703.4238 81901.2633 147609.6245 117800.6164 62674.3682 87250.7667 98693.0438 55419.6324 73621.5078 45140.1478 113792.0996 65461.8530 139214.4627 233197.8365 142412.9152 36627.5269 92942.0138 74273.9143 127063.2456 186543.6311 149250.6441 84938.2252 60697.4596 70748.5130 67377.2017 60260.7474 56758.0653 73724.9092 61503.4804 66267.4281 50144.6100 43886.3666 35174.6281 66468.9411 67653.5538 43088.2202 38975.9354 35722.1824 20835.9632 59596.7160 41343.5301 19872.8575 39445.6858 59961.3027 37408.9329 58278.1933 27709.6170 48414.9615 23173.9414 52286.9850 42188.0651 15986.8759 26967.2669 11483.8524 29836.2937 48270.3306 49109.2730 40393.3233 30079.3882 31143.3468 39857.8015 34642.5366 Gly-Val_[M-H]-_STKYPAFSDFAEPH-UHFFFAOYSA-N Gly-Val 94429.2635 69994.0988 61006.6429 62641.4252 59240.9399 67298.7078 54351.5047 39370.7576 55203.0565 48239.7917 53763.7785 57203.4429 40391.4676 50768.2588 131080.1082 30306.4648 37115.6664 43596.7879 58456.1081 56098.5083 51551.5272 46542.2139 36124.1761 17292.5670 17700.8033 16199.0853 41836.4102 37001.2224 58722.0574 66774.3916 54876.0194 15392.6062 25022.9869 27255.8577 102233.2598 53427.2311 56364.9080 36522.3434 28124.3524 18726.8221 15633.0533 15579.5688 12910.0545 12480.4445 17231.8348 10278.9165 7747.0733 7246.8145 5784.7252 4316.3229 4453.4360 4863.3611 1277.4190 3739.5519 3718.8431 6429.8312 1783.1167 9597.6775 1041.9309 6911.5909 1249.2633 11887.9949 2069.0295 4821.7747 1988.4358 1153.4364 3994.0268 1703.9297 1044.8834 3860.2231 8103.3404 1863.5404 3317.6901 3011.3375 4918.6871 4150.9110 Guanidinopropionic acid 18445.6512 14383.0817 20295.1041 18770.3674 15557.8676 24175.9742 25803.4343 226941.2224 192620.9289 211041.1339 314891.3106 89817.7575 78714.6166 320537.0205 98856.9395 182518.3484 372000.4608 366041.7916 239600.9759 219925.1384 426684.7147 497348.4311 393340.1852 153118.8820 116839.6509 169921.8206 133373.1244 5808.6597 95392.7867 102035.7020 32159.0841 49777.3437 72264.1921 86199.9476 67262.9177 36226.5455 29146.4723 89904.2013 82912.8805 2651.7744 1551.8307 128587.8027 118074.8161 126184.3665 113274.8917 130737.9552 130734.2688 115684.4676 102625.0782 114842.7075 122283.3759 78245.8154 73972.1557 151540.7267 63336.7223 126258.9873 79090.9494 88166.1345 143550.1926 39455.7531 55215.2841 292085.6251 40008.2597 33283.2079 79755.0271 64409.4518 7743.9081 101943.9110 37586.1083 28782.1645 31872.4555 18917.5200 246144.8037 230220.7883 231178.7699 97228.8934 370123.8325 274555.5612 258193.5317 122849.3947 Guanosine-5^-monophosphate_[M-H]-_RQFCJASXJCIDSX-UUOKFMHZSA-N_Unknown GMP 2293.6871 6769.8331 8788.9184 2106.5607 2154.9505 1832.8514 887116.2668 1285879.9310 805682.4405 774109.8742 254296.3521 328740.7972 283156.8015 269032.8129 953047.5699 870735.0456 1061874.5530 620862.1072 689526.7269 608310.3625 948399.3844 749396.9246 406745.7001 850196.8829 946986.9632 752368.2217 101944.0804 162021.6277 207688.9110 183372.9102 354214.3109 441814.2542 475535.1541 164084.3936 198673.6554 232506.0681 516156.9641 529801.4156 8996.0672 2890.3276 6329.5350 11999.4107 6350.7445 4960.5528 382950.1915 370920.5326 374917.5110 396347.1555 430745.7325 468942.6325 447757.3547 470178.6429 499997.8143 655050.3037 366037.5576 151862.9724 151126.1597 121148.6783 203666.8111 86911.5057 31684.7241 220771.5749 176241.5762 310398.8957 262794.1437 263047.4715 158819.6868 166913.4973 65778.2835 75678.2260 46143.4958 408842.1199 66434.2132 414386.1353 117053.1452 186982.0588 414984.3239 188783.0019 64682.0559 613959.5586 378484.0688 277643.0430 658149.9950 Hexadecanedioic acid Hexadecanedioic acid 156050.8896 151277.3768 138411.4174 141871.1746 169087.9785 140608.5413 212015.2793 92338.4108 96993.3774 90356.2854 83301.3289 70539.0443 106653.6881 129390.0182 74996.4028 121069.9530 72557.1987 79295.3221 137891.8150 118713.8898 73728.7776 150583.2877 134239.2530 78428.8400 115415.7866 136395.5252 95653.4962 98084.0548 56309.8422 85743.3302 74169.1457 93333.8750 147342.9471 101948.8638 60116.7380 67047.4628 97260.5584 112564.0815 84554.6934 77281.0272 58579.3696 36884.1584 48949.4525 50202.8267 78466.8099 45340.3617 113383.3597 129435.1235 172548.5726 136132.2846 179284.4289 219039.7694 197943.3153 82772.5619 172258.8794 116237.8244 127464.0553 92118.2455 109269.1589 163046.3196 194655.8426 85953.2428 67265.4477 139690.7316 97019.1829 161832.7260 83844.7299 109097.0773 121349.7182 81242.7615 60958.5714 86420.7569 62234.2231 103233.5620 63024.5479 89803.6169 67423.4502 132018.1663 151317.8650 111869.6550 63365.1969 190326.2925 154171.3919 94340.7832 167648.4857 Hypoxanthine_[M-H]-_FDGQSTZJBFJUBT-UHFFFAOYSA-N Hypoxanthine 1674923.9670 1394959.8590 1414974.2900 1617111.4270 751469.6990 401199.3868 609137.1236 34464578.4000 34516349.7900 68973741.2700 24711636.3100 78608593.4500 62607700.4800 41518121.4800 66231541.1400 67384006.6600 48404539.9000 58796692.2500 75824490.2900 75140246.3000 75478855.3100 15400681.6000 75883601.4900 52570454.6600 16401396.5700 35764364.8500 47839755.5500 14070753.1200 68106532.8400 62719594.5800 43671609.3900 29044849.0300 41426604.9700 31382354.6200 52204686.7100 66115051.8800 32523277.9500 34660282.1500 42847613.0700 27362.7214 161600.3350 39064.1512 40560.5332 38871.6007 24518.0109 9642.5718 67316403.5300 58343717.8500 49581418.2100 53078647.0200 35598612.3700 34730775.9100 16466053.7800 66960793.1700 55524170.3700 48886805.4600 61649313.0900 64467447.7000 63711182.1100 40666171.5500 52023568.6800 32701469.9100 41147204.3300 15123066.1900 64600992.1700 13685439.7200 59858692.4200 47367249.3300 54336155.4500 29104866.1000 48536055.5100 20660385.8100 55874003.3700 55376176.8300 42250576.2200 48995242.9400 46519055.5600 39355766.4400 37051307.9000 32140888.6700 82729905.9900 28573232.0700 40573980.8900 63316541.9700 30063464.6600 Indole-3-carboxaldehyde_[M-H]-_OLNJUISKUQQNIM-UHFFFAOYSA-N 1H-Indole-3-carboxaldehyde 60801.5998 3992.1643 2542.8003 5032.2872 71543.5538 59337.2532 65771.3040 115754.5258 40087.9748 69105.5699 1730.3246 60139.2606 38447.2481 31332.1683 33785.4017 54025.6025 58148.4641 66747.3043 64832.7451 71113.4861 15745.5776 82040.7120 13460.8718 21337.5094 46100.8242 32180.7281 29585.1146 15708.0095 13627.5410 24832.0181 16547.5295 31636.5613 398.0100 6401.2548 40750.0991 25974.4463 24014.9121 40535.7796 38826.7043 1715.7567 20552.7504 5943.5955 6808.2558 6339.9038 7919.6637 1733.7302 51255.7955 58296.5857 44726.5456 47636.2166 54217.6206 54304.9903 62717.9000 24692.8704 34331.0388 26619.5268 38361.7758 15803.5544 23346.8078 35494.4722 36680.9495 41064.9903 24728.2045 27296.2271 8124.9138 33617.9794 19813.1508 29076.6290 37926.0815 16608.0655 10336.9315 14932.2903 26023.6405 34151.2543 14806.5674 26603.1490 2201.2139 29241.6173 45411.3726 26978.1686 22569.9020 21632.1130 29527.9018 24882.5908 27585.9880 Indole-3-carboxylic acid_[M-H]-_KMAKOBLIOCQGJP-UHFFFAOYSA-N Indole-3-carboxylic acid 2725.4865 2947.7565 3383.4059 6039.7924 8873.6568 11498.2953 1207.0089 14501.8943 1642.7985 4511.1706 18425.3442 6058.4534 40186.8602 7630.4070 16200.4463 17589.0190 23193.1188 5586.5717 13771.9564 11674.3596 12042.1387 10944.0993 9119.7113 6100.5944 3109.0462 6209.9459 11516.9284 17368.6034 32028.6752 9892.2681 17147.0811 3005.4713 3020.3712 3518.0862 7224.6856 31246.3144 26921.1859 21235.3241 30716.5064 26348.3313 26146.3214 45331.5531 48585.8519 31271.1575 31376.1952 79850.7580 57805.0350 33590.6243 49490.2946 63006.4939 67697.3018 46191.6883 47500.6947 79588.5824 90315.1338 46088.9770 55569.6466 75855.7171 23878.7236 15195.3941 9716.6329 29970.6389 66351.4534 40729.9461 42319.1720 71054.3562 4498.7104 55157.7386 12736.8267 8751.7259 26109.7596 6519.5573 8262.7449 63133.3792 Indoxyl sulfate_[M-H]-_BXFFHSIDQOFMLE-UHFFFAOYSA-N Indoxyl sulfate 16006837.0600 13454498.9100 13611058.9300 14323289.7400 13456434.8200 13153226.5500 11662050.6000 901242.2130 644474.0514 949456.5461 1701711.1570 760315.9138 1264125.0350 2109999.5320 926149.1988 438566.0238 1010948.1750 655933.0852 466920.1064 620659.3425 722454.3201 734043.5213 802239.6036 372493.4042 571448.7825 783009.5803 421800.7971 106355.5382 444534.6007 336494.1652 167379.9934 726062.9328 484576.7339 612853.6629 469151.7314 363543.3412 351833.7610 669975.2662 373852.2270 543847.4356 502520.8990 472271.5803 447846.9651 495431.7263 428102.0927 538261.3482 1340853.2890 1696275.3700 1879262.8300 1010600.7460 404202.1879 736558.0426 319796.3157 1466848.7050 29683.3073 206938.7139 275010.2453 141511.9043 295979.2916 530671.0627 94851.8550 174104.7993 741408.3975 490429.2752 205490.8196 280050.6616 521255.7135 386795.9928 598999.9905 154237.3280 630633.3502 613707.0955 501590.6693 410239.3636 872061.6746 870683.2997 768598.6273 525368.0633 Inosine-5-monophosphate_[M-H]-_GRSZFWQUAKGDAV-KQYNXXCUSA-N IMP 524004.6391 1496328.7070 685564.1329 1153548.3530 212034.0773 186469.5446 347336.2913 153261.6668 417869.7967 433184.5223 616598.2086 465978.2787 557365.8925 478235.3415 655996.2433 449169.4429 378294.2972 812723.8665 1052375.3440 839849.1760 53175.3663 102747.4441 204114.1151 134534.2460 177488.3646 385817.7193 275409.2526 55989.3447 92730.4615 285199.1523 431547.5046 398886.9941 241506.1985 277429.4713 260255.4783 260327.9517 291151.8623 297134.4696 275269.6708 255315.0054 175504.0118 120814.7234 95523.2657 65405.6866 75246.1367 55850.9146 95190.9701 29036.1264 14210.6243 92896.6588 78908.5169 97417.3527 223988.4498 114646.9700 84710.2304 68097.0431 9967.2317 26695.6506 25120.2143 148841.9443 23696.0890 112332.1129 48743.6028 95090.2722 120864.2945 116263.2605 9238.9155 208516.1275 313494.1816 229986.1600 355729.7758 Inosine_[M-H]-_UGQMRVRMYYASKQ-KQYNXXCUSA-N Inosine 921.0401 9097.7344 8505.9721 48459.3152 28743.8761 29526.2575 24396038.1400 26646626.3000 29347444.6100 29032312.4600 8292369.4930 16098065.9200 38929590.6000 5584766.5360 28846491.7300 29438209.6900 8718126.1130 31026156.5800 16811440.6400 29228830.8400 31949050.7100 8010338.7980 11522433.6100 28977480.6700 28096137.1600 10619784.4000 14444096.7700 3838004.4390 5828511.8520 20462184.3900 20079743.1600 4211485.4190 24675262.8400 3949180.6590 4541373.9920 22763750.1700 21927958.3200 12211968.2600 3622.3539 2395.3462 7666.1010 3076.1869 5247133.6930 9928806.6000 13083070.5600 24774042.2300 25364076.4400 24953190.9700 25928435.2600 4333635.7960 4232813.3110 19652287.5800 5341129.8330 7757458.4540 24722576.4700 21237292.3000 10286225.9900 5823218.8050 2934962.7000 21886044.1700 7265403.7230 20651515.7400 5439187.2820 23256976.7600 2875508.5150 24638561.1000 3488208.5400 15675009.0500 6466526.0900 5957628.6850 20451435.2900 22328505.1200 6169166.4710 23723209.9200 22537520.5300 23920172.9200 5952971.2460 26050127.1000 26562178.7800 7577914.1560 26846506.4600 L-Cysteine-glutathione disulfide_L-Cysteine-glutathione disulfide 6404.3283 2133.2478 1342.8618 5262.4808 6347.7447 277.7711 216176.3615 41094.9601 41655.5002 67937.9650 148109.2266 190909.1625 53921.2848 158805.5204 191116.9821 235073.4797 101160.7413 110287.5132 94065.0429 105938.4650 113238.6794 98490.3801 54131.6573 36744.5277 17296.9046 49138.7236 80033.3594 141338.6732 147847.9667 142692.8626 187811.9197 263756.8662 63338.1715 188287.4189 124573.4236 127323.8899 82544.4001 87264.1720 2817.8293 1703.9514 1682.8955 2228.7361 2567.3223 1056.3438 196058.1352 210226.5201 195205.3967 175893.3679 194900.1568 268680.3369 225114.4922 77291.8408 140634.0608 36766.0695 187998.3564 166032.9960 104252.4526 216620.3837 283182.3004 107120.9542 141921.9639 273631.0555 111550.1637 255875.9608 71098.7896 92773.4936 231317.9394 172271.8702 117076.4844 112158.4296 111207.3721 107531.2829 124888.4246 71384.4517 81147.5192 213701.3410 402263.8499 360409.2688 166723.3535 158910.8063 53087.0536 127005.2078 292059.4136 L-Cysteinesulfinic acid 3-Sulfino-alanine 68079.7446 173850.7832 189801.0723 149264.5444 129258.8273 133718.6308 5445.7177 11422297.7900 15581553.7500 11935870.8200 27164265.4300 1929578.8000 3667552.6360 4563633.4730 478878.9599 8679084.8070 13597225.8800 27747943.5300 11049335.6600 9937244.3460 16171593.3500 16478922.8900 25588076.4700 4117713.8880 5847692.7170 5797874.6810 5126556.5540 675440.8027 423937.3452 2420945.7410 1570560.6330 2761274.9930 4226265.2140 4987462.4430 712168.7142 852531.8114 1979145.9260 5227373.4100 3815851.3910 34156.9027 44526.3805 34373.5331 35274.2199 272825.9495 32295.6996 17032629.2700 4895950.1790 4116194.3110 4053235.0700 5028682.6730 4348108.9380 5063124.8500 6259293.4210 6433018.2230 5623574.6630 3925070.7350 3332042.2660 3369602.2410 2769142.7700 5705626.3070 3858500.3800 1434430.1000 3822309.9090 3952120.3810 407758.1188 4833568.6860 5388149.8590 722159.3643 2024614.0580 308168.3310 978456.3164 1444859.2600 4477265.7810 1298219.4880 3487148.6720 1712108.0800 3903744.1520 4960209.4030 2551077.1740 487033.6281 5774505.7500 6384100.2990 3919528.0290 4033872.8510 L-Cysteinesulfinic acid_L-Cysteinesulfinic acid 119597.5932 129413.0723 116043.4118 202028.4275 96058.0460 96232.3777 20319.1603 1337936.8670 712227.9397 611691.0827 972125.1619 488739.5343 396941.6472 507726.0718 279873.2048 1637914.1670 2622642.3320 3139572.8530 1670502.8710 1472849.3880 1974238.9980 1638258.6300 2195305.5610 505982.3448 719421.2067 671048.6793 585967.9815 231999.1905 474315.6948 551871.0876 331915.0879 544317.8234 783570.3963 513221.5044 427189.8991 436432.9444 344557.0134 647046.0624 468830.1729 7725.3567 8541.0565 8608.1283 4126.8691 12889.9929 1083676.6950 1114756.7150 1098115.8650 1032411.4080 1149056.1450 212824.3839 1202015.9210 2019722.0670 1762561.5700 1253590.3910 1346072.6580 920309.2918 851403.7961 1053026.3130 927562.9652 413283.2223 564506.5586 1380497.0390 771279.4119 1938352.2390 1332871.9970 893793.6056 1436515.0520 734746.5633 407956.8997 294417.5250 457402.9653 875260.6172 330500.8572 525860.8372 254688.7375 1741940.7990 3487120.0370 1538205.9150 911809.8930 2090672.1420 1512447.1690 1211173.9330 1633141.8790 Leucine_[M-H]-_ROHFNLRQFUQHCH-YFKPBYRVSA-N Leucine 108881.8001 89633.4538 86698.2518 109079.9962 101970.6747 106263.2535 24529.9574 20635.9025 31906.3406 28764.1222 15237.3592 24304.2929 18154.1258 19029.4276 31561.7366 29185.3373 24147.7120 27851.6731 22915.7690 8887.3617 12836.8536 16133.1707 6759.3050 2777.5845 5396.1173 4037.6716 7011.8098 15219.2051 21823.2890 7861.7409 8955.9837 8800.5109 15536.3655 18118.2260 7510.5956 11330.2927 4300.3554 6280.0212 5722.3833 13648.9140 8139.2521 4844.1911 5372.2135 3912.3483 6633.8319 2069.0295 4011.1886 5603.9482 10037.2645 13835.0898 8353.7423 5932.9622 20214.2484 5347.8668 Leu-Leu Leu-Leu 110090.9968 152241.9930 232947.4478 734002.5704 807622.8250 746087.3477 614997.6783 150847.8942 156801.2671 123076.7375 161956.1976 27577.8914 127170.2908 152131.8094 53487.6643 129092.5675 182118.2479 43067.7354 143962.7440 152452.0322 176353.7111 172423.6298 7822.9850 23112.6461 110938.1567 51493.7107 25969.7752 128925.8153 10338.6674 21862.9443 155178.5145 67361.7667 4587.3547 88665.5688 22885.8219 551.2449 137910.5431 108425.1565 42052.7382 3068.5151 14356.5911 66338.1491 50437.7927 59604.9300 57284.4714 60547.7470 3926.5454 22979.1947 389.0770 20936.0785 17831.8616 14395.9233 1990.4893 2491.4973 21128.6571 1283.9038 27993.2927 262.8753 19233.2896 19017.1654 473.3833 27970.9270 3384.5058 37340.9516 31348.8192 1422.3791 13229.8706 30560.6240 43396.3233 45268.3730 31660.2585 287.1263 43180.4553 L-.gamma.-Glutamyl-L-glutamic acid gamma-Glutamylglutamic acid 7953.2668 60488.5684 61116.6630 99096.7333 50386.2757 58520.7444 42229.8382 1120957.6400 653215.8517 602364.1124 1033520.5470 525515.3507 485122.4550 314068.6308 106012.1819 989431.9893 1500259.1550 1660200.7880 1111797.2770 935506.6447 1043306.8190 956032.0909 1424427.9540 227248.3544 322085.8185 364159.3159 226585.7359 83332.3418 90758.0179 58769.2820 149069.3238 269809.2970 146018.0279 348834.3464 111863.8442 88375.8909 169775.7881 472731.2755 274432.6145 1877.5316 175629.3232 543883.2235 480457.2142 454523.4422 477146.6192 531559.6474 437631.5692 212289.6356 148177.5361 448689.3824 47035.7611 393106.8681 389718.8210 424541.8372 491132.9258 79329.1555 158570.5451 367384.7417 281180.9060 469532.5008 76860.2042 292478.4827 54147.1138 307289.8605 92841.7736 123256.7809 201367.5877 401122.0051 207317.7821 265387.3476 137452.7672 591982.7423 986971.1434 773074.6674 59998.2827 554600.9373 688644.9024 640966.4087 576394.6188 L-Gulono-1_4-lactone 220280.7920 166590.4119 172960.8041 205353.4457 160929.2652 235659.6502 228498.0896 459994.3979 716445.6029 500430.2149 649596.3532 365538.4316 297956.3901 380877.4138 278754.9102 556290.5430 557805.5309 635352.7632 669206.1763 663826.8739 692378.6191 715184.7236 796474.9477 250425.2324 353594.7937 456296.5854 273527.6633 67991.9538 192429.3077 297526.0426 112006.4072 223879.8338 376403.4916 212672.0630 162604.2977 203985.6512 132026.6319 312700.9166 278277.0971 13276.5572 1883.9313 4281.9466 6168.0793 343185.2944 331523.4237 322557.7417 259458.1721 345861.5300 376373.7590 351500.1828 294223.5674 424946.5180 334912.1528 259170.2657 295987.3193 268993.3487 297133.7112 326940.4645 84822.0357 103573.3250 209752.2461 101948.5364 223515.1418 362423.0904 169246.1908 147091.0701 211936.6568 131295.7873 134156.4404 162029.3932 262619.9267 125104.4355 213362.6991 96514.5762 420570.6226 364034.0576 403010.1980 219740.1932 522284.3369 518507.0275 434269.9479 373876.2847 Linoleic acid_[M-H]-_OYHQOLUKZRVURQ-HZJYTTRNSA-N Linoleic acid 17071.1506 1933.3330 9642.0601 1403.7848 4566.5335 26882.5520 14198.7627 14594.6668 66746.8199 5316.4369 6753.4627 12467.1230 23785.3691 5043.2310 6056.0414 6390.1611 7718.6745 7376.8677 3348.2571 3417.9187 16816.6665 14328.9520 24398.7322 5185.0948 5724.3989 15954.0980 8694.6347 16264.3808 1680.5209 9915.5576 21815.0704 55547.7583 36781.0900 42609.7764 39324.5577 34252.4973 58839.3797 24426.2408 42175.0613 3504.7024 66712.1143 86624.4660 50861.5741 62326.8900 6636.5783 14959.1252 24205.2515 96123.2817 56940.1610 58679.6330 19696.9241 54305.3429 104448.6631 88422.1863 38788.1050 5320.0719 61251.5323 58736.2117 63524.7837 63206.5366 19372.1450 18327.4571 87120.8533 64400.6193 122950.2529 43713.1722 17413.9895 27170.4702 77243.1822 Methioninesulfoxide_[M-H]-_QEFRNWWLZKMPFJ-YGVKFDHGSA-N Methionine sulfoxide 95711.4465 89035.8610 98324.0112 99235.8086 169565.0416 232106.9475 338779.7645 431036.4527 273673.3764 328911.1279 320745.4634 301388.5633 304112.1535 276620.7711 296793.5558 360463.0567 405542.1564 311577.9788 285287.3410 367686.8440 366044.3866 390850.5835 441881.8904 242267.7788 210612.3330 242022.5619 214512.2004 219967.3958 207152.6715 182831.0073 218427.6007 202378.1209 234369.1254 233160.7585 272144.2859 180497.0817 223675.2661 223546.7120 188200.6671 1354.7281 28107.9113 3875.4245 2976.5231 14204.5946 9128.2569 3621.8856 192159.5917 204165.9023 225563.9399 243125.5396 221728.3975 238449.8728 187929.9854 394052.4524 283042.9045 309517.3056 288380.2211 247591.7037 216162.3585 242477.9540 376640.4612 337021.3782 381613.7201 184706.4253 190579.7473 238251.4219 166660.5801 196489.6187 296333.5714 218494.6115 223117.4828 167210.2258 273753.4181 243663.8520 210741.9170 268091.3567 165827.2189 276359.9097 352689.9856 322510.2129 287091.3407 399870.2702 318362.8573 316087.5336 274455.3782 Methylsuccinic acid_[M-H]-_WXUAQHNMJWJLTG-UHFFFAOYSA-N Methylsuccinic acid 599301.9841 611814.2832 631239.6375 353449.4381 601566.2026 522649.6276 732125.2352 416264.1063 318015.0701 336938.9346 473619.9815 249572.3063 247673.8875 353524.4550 312501.9089 432116.7510 386927.8975 343280.0216 289377.8584 374247.1561 395806.7428 864750.2386 232180.8565 239553.3547 408376.7747 298593.9710 219270.1568 340855.9964 229202.5948 233109.8256 254807.0231 258352.4174 109808.0216 330337.9325 204930.5876 296949.5345 244148.8642 226037.4055 189731.7263 201413.3579 271630.0430 169941.4647 145792.6158 133438.0525 127350.1937 197398.9253 317703.5458 202695.5993 225138.7352 247494.2266 282953.2550 510488.5587 602895.7780 364185.3710 401056.9030 364172.0438 303724.4451 215345.0808 269798.4110 268101.9769 372613.4594 242985.4437 332762.4424 363407.0374 300594.9062 493969.4784 229106.3271 298969.7277 244831.9122 269970.9429 197769.4834 268661.6051 226130.6335 269210.3193 242895.5057 246835.5395 294661.6120 499921.2881 376982.1327 394937.3687 336098.1117 460894.7178 381588.6199 236999.9561 403460.8594 Mevalonic acid Mevalonic acid 1009292.0670 852700.9428 942421.6373 685745.0462 696720.6351 361362.4584 363415.0863 380855.8502 515549.0230 623246.1884 265419.6798 296622.1612 598228.1791 770735.5885 244649.9957 1622640.1380 1048831.0230 940230.0057 1065349.2150 1153391.2210 915267.6389 338591.1935 636499.0749 410212.5553 182205.8734 551667.4593 326716.8406 207945.2122 153340.7436 241173.1776 367489.5296 412220.9997 150049.7713 371789.7268 216328.3808 222938.9789 335015.5359 323541.3775 346521.7571 13657.5630 31083.1398 39108.8799 56263.9532 88831.0546 87024.5508 76932.1479 508638.4448 1012365.4740 788088.3163 880807.7891 801838.9176 411880.8680 244697.3115 416042.5639 822617.0833 900386.6935 678236.5860 637163.6193 1043317.1060 1384306.1620 1000291.3930 1434008.3000 599414.9141 812808.1633 939839.9852 381307.4288 1310678.9280 1285476.3230 237214.2349 948974.8910 220568.3347 316181.3635 748057.9023 489335.8683 719783.5595 767685.4206 687179.7364 534430.9994 1146288.3330 801187.0091 424070.4028 1341593.7720 1017422.2580 596331.9615 1106492.3050 N-Acetylcysteine_[M-H]-_PWKSKIMOESPYIA-BYPYZUCNSA-N N-Acetylcysteine 14613.3731 23602.3964 7842.2717 3491.2691 9708.7006 7813.1782 19483.7742 35425.6241 202246.5569 3685.3558 60239.8567 101349.8483 4896.2250 4758.8967 14348.1146 29658.1601 453146.0005 180827.8373 160086.6589 133737.9140 4048.7349 82113.8200 110473.0594 2714.3562 22951.1665 135402.7731 1484.9025 5303.5018 10465.5321 5593.6650 47618.0624 2770.9332 12358.9530 8730.5737 5226.2759 20617.2687 77975.4380 115191.8258 4043.2887 2943.2368 1643.2481 1339.8286 1471.5765 1156.8798 8603.6822 60319.5411 44365.3885 21467.4418 6040.8825 5213.6482 3904.8398 11591.5542 13630.8513 35337.5442 8631.4300 24818.1870 45598.8022 4439.2911 62938.0106 3471.9354 4501.1309 2054.5954 45417.9093 1063.6844 14422.2577 62047.5336 3656.0112 2562.6608 2791.0762 1388.8145 6301.0635 36105.4246 2715.1230 31696.4651 8319.7598 2059.5291 5091.7880 1468.7436 3079.1025 2680.7882 4655.2859 32900.8218 2634.4009 N-Acetyl-D-galactosamine 4-sulfate N-Acetylgalactosamine 4-sulfate 3478.7995 11158.4508 4004.9362 1393.9500 4584.4823 5467.4454 39036.8069 216449.1990 215227.0201 169268.4451 183606.2954 116837.0758 145722.5498 125950.0021 115279.5880 262808.7603 180544.5411 196572.5048 163319.1053 205178.2095 123251.6672 223831.1499 153520.6592 167471.7960 306084.8221 132434.5871 164746.4524 84120.4453 97977.8048 145273.6478 104021.0411 205614.3315 117526.9225 112996.2935 88768.2542 194433.8176 104764.3273 145974.1588 130257.8736 92283.6184 92562.0691 85829.0668 84788.9035 115491.9629 129312.8488 148331.2731 33775.3711 36717.2799 62701.0277 30301.8027 49969.7270 37689.9340 44685.0811 68136.4383 22518.6336 28763.6582 54787.3192 64298.3197 101575.7861 33415.5809 48754.6644 16994.6472 17870.8783 5864.9257 15562.8324 4907.7243 43137.1149 13305.8599 73132.2177 13108.5579 45082.8565 74522.7261 54488.7042 4024.5398 83135.5797 52999.2326 26314.1642 85061.8293 N-Acetyl-D-galactosamine-6-phosphate 2979.7279 982421.6642 615353.8897 516686.0577 929721.2676 1231320.0910 977506.3853 778437.9389 1536100.5860 980329.9338 1142035.8760 1322441.8590 971059.3922 936818.2833 912907.6481 1036667.9240 1226252.0610 469879.8360 438395.6594 294301.1869 384380.9732 444073.5368 1439665.4080 1355397.7110 624657.6182 575960.8919 696960.0360 569434.0518 1170331.6420 1772082.0730 729826.5248 611231.8861 509538.8041 3295.1455 2059.3628 778096.7439 624590.0725 472001.1572 497156.7770 477699.3553 482407.0830 497088.2581 571195.9670 531587.6555 358802.2331 307701.5415 534067.8857 412793.7086 405186.7173 279231.8918 187491.0377 543872.3287 374440.5553 398231.3793 351984.9644 515262.8278 291475.8403 575742.3934 385863.3718 795080.7455 468087.2588 661421.6219 446251.7091 413503.8322 280349.1265 412954.3113 545697.0939 443091.7136 564021.7413 1309703.9040 396612.7260 518187.3281 480924.4253 423502.7314 N-Acetyl-D-lactosamine N-Acetyllactosamine 332891.1974 365834.4259 328413.6584 285039.8443 168572.5912 239531.4202 214260.8178 191999.5163 362546.9609 202288.6128 362668.1881 387199.2779 380899.6431 265579.5515 293792.7243 264959.8308 156302.1157 231484.6376 253036.3640 287035.6608 90307.5389 81536.2468 68875.0048 151072.2679 86808.3123 113510.3160 151539.9737 105533.2994 75298.9915 156736.8655 260620.9121 204734.8660 21822.4703 31254.7648 59541.9915 91318.3756 45196.4449 71435.6754 9272.7982 28277.5583 11468.7252 67301.2004 24113.0468 42284.4783 43286.1425 44115.8685 70016.1263 32315.5391 18434.0920 33390.0134 34523.4103 62102.3369 9327.0017 57132.5429 49237.6807 34216.9869 15568.2358 13623.5607 17271.1023 52319.2232 27247.3500 77136.6479 30068.6308 34105.7009 71681.7603 33207.7036 7401.1013 77783.6697 59524.1825 48162.1442 77376.0552 N-Acetyl-DL-valine 179034.6781 266920.4038 231203.5783 321647.5570 593854.6189 555376.2080 757769.4463 483391.9326 243362.5167 165395.0129 448799.5855 86071.8764 154086.3830 503125.5335 96412.9741 230589.7690 194464.5985 134168.4357 201983.4498 168129.1862 225059.9232 448464.7518 111625.9892 92398.8651 331739.2134 177106.5138 103010.6411 476773.8282 57135.9240 75404.6374 152613.5629 174847.5560 32052.7161 179592.5313 82270.1292 79356.8394 168623.1338 173010.7320 78758.2875 17293.3885 23846.6163 31981.0382 32624.7767 47019.7902 49501.4428 41111.1968 109511.9494 126073.8418 102877.2817 171901.6168 275059.0260 248721.0082 311232.7189 80956.2896 86641.7949 131211.6594 74257.7762 81107.5229 104649.1887 229686.7444 129820.1220 120531.1959 99766.9745 231977.2550 76233.0946 263099.6445 65919.2888 83037.0189 57986.7549 136770.3914 51528.6087 266420.2409 74907.0198 56873.4160 116594.2250 82880.1747 60259.1449 323753.4369 217780.9923 344834.9053 93821.7820 255063.6746 371346.6827 113219.0857 304084.9761 N-Acetylhistidine_[M-H]-_KBOJOGQFRVVWBH-ZETCQYMHSA-N N-Acetylhistidine 204893.4985 124077.9720 88800.5916 79754.0791 102341.2469 129999.8585 141719.3243 59607.6791 62002.1391 55348.7156 47251.4964 45405.9029 39743.0218 54436.3209 40691.7928 53302.0081 42033.5000 65203.0429 56252.3342 70471.4400 79905.6326 52844.1680 102034.9095 39611.9071 51954.4884 42964.9655 39249.6030 15239.4723 34585.8560 58575.1403 23842.0067 15924.0215 70959.7521 38767.0540 51837.3417 47735.4302 36648.0477 45708.7020 25327.1569 13838.6578 12044.2368 4627.5715 47335.0521 45442.2607 38003.3310 34294.5704 40191.9426 48533.2440 44223.7462 19775.0342 34982.6562 17872.6178 28834.2529 19169.3126 15116.0930 18910.7180 43290.4949 18282.0458 19147.5493 7761.4896 2978.8361 20498.9161 32650.3564 24676.3176 12434.7031 8822.5267 11650.2560 6612.5818 18901.2805 9995.1345 7317.4994 11598.8897 3747.9140 27859.9186 31463.8316 9413.2156 23750.0907 30983.7246 23206.3270 28208.3863 19470.8472 N-Acetyl-L-alanine N-Acetylalanine 4703833.1580 474692.2040 63852.7696 174326.8693 92930.0092 52901.0686 70642.9616 92427.4008 70668.3940 69332.9623 69154.9151 5057074.4910 101196.6809 72363.0560 4466642.3990 116038.1159 87329.3354 193574.2426 97825.5368 113893.2471 69664.2990 109506.4541 6331741.3950 77349.4101 83203.1576 63488.6557 87481.8387 109819.1092 1229816.7310 4072769.3580 111691.5985 115771.5295 2284223.0390 90606.7934 3041683.8170 3624065.6360 98602.9456 76225.9349 101787.9696 108891.3494 221637.2467 73904.6329 90795.7492 90014.7708 87711.8391 90585.0367 2826859.6720 147534.4915 74980.1219 84839.7898 88628.2425 74505.6588 99092.4876 701886.6671 870724.0652 77693.3211 1606960.9410 694477.1851 90558.3689 77141.5464 80393.1576 116006.3678 1319390.4090 79072.5992 197124.8167 80801.8391 1632732.3330 70468.6295 341441.3574 76493.2124 1068309.8290 105838.8167 371606.1263 1302129.4910 94515.6341 85296.3572 117606.4958 74546.2176 75557.2767 108811.1753 740597.3206 90276.8298 67053.6818 1873617.9990 121597.5327 N-Acetyl-L-carnosine N-Acetylcarnosine 45977.4569 240374.6404 204141.7258 155129.6848 44115.2353 201161.6610 245195.1015 80693.6070 65079.2492 64091.8640 59996.3083 55314.6659 100367.2988 84167.0333 81488.8650 69035.0991 129375.2219 102137.2357 63480.2407 78374.1330 33352.2148 57107.2581 43959.7458 57829.5114 36544.6990 99326.5099 94219.5570 68824.7923 27452.4794 80487.0609 44246.0941 134784.8228 98618.7587 92362.5999 49030.1159 49069.2068 50845.0979 50253.2241 49321.9580 46323.5373 53161.6332 55494.8307 46903.5382 54671.0879 44304.3497 70782.8323 39089.9285 36239.3953 83160.4261 45971.6007 137087.1393 40128.9350 53670.0787 55947.1896 29629.8110 122834.1583 22281.6900 37993.1981 17254.7531 22353.5483 20194.6735 13503.6905 41119.3371 76699.3992 53727.4625 N-Acetylmannosamine_[M-H]-_OVRNDRQMDRJTHS-ZTVVOAFPSA-N N-Acetyl-mannosamine 18069.1197 13125.3172 15850.0876 2134.0862 17230.3945 5232.1802 37278.2121 345807.4658 303821.9852 250008.2812 331452.2679 10724.0737 151137.0725 130792.1146 19596.2703 298726.6518 262981.9263 419039.0923 270854.2169 299312.1187 282589.3135 319747.6918 29201.9186 157278.9414 142460.0092 231139.0737 192882.0706 16665.5072 2376.2944 96096.9464 123994.3675 1855.5992 146787.4303 7147.3515 77323.2571 287388.8955 121059.1140 2397.0908 330.5314 8540.3364 156839.1296 124860.0166 100080.7100 157136.1264 123664.0269 126284.0494 39365.8764 74157.5640 64620.7600 48637.6036 25067.1125 40754.2055 75264.5619 76385.7269 21525.3804 40959.2148 16385.9837 5942.8844 66533.0139 9878.6483 102477.5309 147744.6173 148449.3667 129004.3375 128018.4376 98305.2119 N-Acetylneuraminic acid_[M-H]-_SQVRNKJHWKZAKO-LUWBGTNYSA-N N-Acetylneuraminic acid 5543.6850 3272.1684 2398.8488 5201.7353 5885.6483 3115.7816 5043.7328 480465.0405 505201.0253 554361.0261 481809.5676 252220.8957 194449.9004 243484.5269 249321.3336 353225.9229 430030.8969 436294.9626 462097.7426 536712.3519 455602.4806 505695.3434 534056.3360 213086.4678 292899.3609 304480.8281 305586.3846 73471.4361 152256.1599 169553.0091 110651.0395 159979.8579 458210.1294 268828.2351 196518.7678 225743.9976 180481.9840 373631.9094 278860.9906 1292.8361 1566.9890 229731.6351 231501.5775 208516.6145 222768.1740 237982.7597 255377.3711 232678.9229 253388.2072 251491.9271 220348.4316 234566.0093 184329.1451 129447.4268 145702.3546 218893.5456 182894.4215 158173.3499 130976.6741 97839.7454 162896.4104 177081.9854 122466.1662 180418.1122 109599.1409 118434.8431 130059.9445 109735.7233 161232.5468 76041.0151 145200.6910 58205.4099 118588.3904 251294.1337 160705.3797 163753.5872 204879.4493 167306.8016 175479.8428 222984.0822 N-epsilon-Acetyllysine_[M-H]-_DTERQYGMUDWYAZ-ZETCQYMHSA-N N6-Acetyllysine 459443.0457 302133.8481 296018.7664 235842.9038 324123.1766 302496.7242 353507.5500 176079.0148 203884.9141 234816.4487 180433.4725 143289.8792 113398.6428 166032.9528 139040.2770 138892.0347 122312.2151 191121.1190 182602.3848 208210.4467 200338.0967 167365.3586 271681.9266 91811.6018 127844.2451 95441.3343 124860.9812 53737.6110 117067.6013 158536.1146 81007.2560 65136.3297 142296.1446 103757.1279 131707.4421 124578.6986 123704.7087 131371.9729 88958.2606 7351.6936 4982.9929 3039.9786 107083.5305 99959.9821 98565.6356 87897.6823 99887.4391 94434.8201 82949.1334 47039.6277 155963.2628 48993.6046 57836.2953 48427.8431 42399.0583 38452.1085 74547.7424 67149.1014 77524.0417 38365.6910 15414.3186 36788.2101 78687.0703 33006.2642 49739.9973 31685.0383 41787.5955 33381.2212 50309.1883 29489.0733 24527.0592 45060.4598 16521.2927 61573.3682 58817.3488 59800.8005 44019.1072 63769.6778 68583.6170 93707.6849 47918.8630 N-Formylmethionine_[M-H]-_PYUSHNKNPOHWEZ-YFKPBYRVSA-N N-Formylmethionine 71593.9527 130583.5925 116940.2461 63331.9014 85774.0590 95152.7185 133096.7320 23200.0056 205560.3065 106331.8443 129514.2034 191270.2880 161855.9937 104361.8363 70099.2384 200268.4155 92344.6433 75160.3482 102147.9572 89435.4309 73259.9743 64638.8329 27513.0144 71096.8570 81233.2184 115539.5637 47862.2939 151935.2134 55869.1899 71381.0444 75242.5220 72385.1366 108021.9029 111546.8305 97123.1884 98565.3541 73629.9150 97805.2303 173428.9302 194102.9599 218939.1673 133055.8212 135683.7664 166787.8763 124111.9878 174479.3830 11814.5872 14256.6939 102443.1491 96428.7964 83971.2021 123437.4896 107126.3664 60057.6258 90333.5681 13472.5721 60516.1854 136901.9846 28892.7538 137900.9936 49618.7255 118003.7932 120222.8732 79282.6954 84333.6441 237520.4079 205320.9899 189794.5615 155669.0445 N-gamma-Acetyl-N-2-formyl-5-methoxykynurenamine_[M-H]-_JYWNYMJKURVPFH-UHFFFAOYSA-N 107259.3999 88353.7350 93444.3213 71468.4669 94472.9744 152234.9584 117039.7809 120620.6738 135368.0825 96156.5878 98226.8234 132867.7045 98052.9329 99188.9454 109638.2351 132029.1347 62879.7108 72813.9156 51138.3779 55496.5208 38620.6792 87983.3381 101285.0207 67136.6570 95806.5829 112420.4631 101004.3118 121407.7089 166879.4877 77335.3210 62308.4329 83439.1821 1982.7554 1805.1235 1361.4546 1481.1718 1204.4228 1602.9899 93957.2418 69596.0601 63340.3675 70343.7775 77288.7498 75350.3479 105870.9258 135711.0862 94935.3427 100910.8709 147589.0629 142058.7664 111412.4256 101701.8415 125903.0540 86128.3623 105396.1896 112096.5314 69988.4497 91671.2013 84779.2242 66419.5573 100303.3671 88162.9393 95051.5939 67548.0856 103100.4112 74591.7803 73728.9747 71461.6100 68853.1423 125968.9296 97387.1934 110069.4972 185152.9479 114496.2901 100542.0048 116974.0487 97879.1396 N-Glycolylneuraminic acid N-Glycolylneuraminic acid 300891.9442 424119.3899 456018.0665 361308.7838 294205.2075 189076.7440 222273.3495 225906.2714 428955.7861 381724.3119 542638.9889 528623.7189 546052.7445 535969.1262 483027.8404 667618.3754 197856.8298 285275.9844 317957.7155 329209.9036 83863.3506 302640.9915 286525.9737 151330.0307 156928.0159 390794.1799 200669.4444 230780.1170 244262.1320 153176.9073 268807.0305 209748.0216 243572.0196 238269.5080 219620.8601 171904.4438 204593.5790 238162.3946 221491.9876 192244.5534 217081.8651 150611.5153 166596.6899 140109.0033 105599.5724 99237.7749 130630.2081 120568.1776 130012.3327 112218.5584 65776.5279 128931.3887 297203.5023 124121.7834 181659.6870 76981.8975 76069.1335 68444.2257 97478.3498 127762.4486 62624.5659 98825.9388 25800.2747 144800.3497 242338.5241 154137.0658 122289.4115 180903.7947 171254.1266 206665.0088 181796.7230 N-L-.gamma.-Glutamyl-L-leucine 83297.6096 86184.3813 110276.0180 119494.2330 51199.4441 22966.1627 52852.5607 42455.2575 109110.4139 186833.1561 253722.6891 140969.4816 103606.7371 174958.0660 172408.3338 197698.8401 54176.7031 40908.5028 98151.4100 56731.1132 14203.8850 18593.8665 65714.3779 33976.1009 34419.4422 46116.6266 70780.7736 29810.5145 58222.2701 25786.1174 45170.7885 53455.0534 112776.5633 105159.6581 103000.0396 118403.1046 106552.0170 100350.3056 104399.4328 264817.9605 214696.9195 275820.9605 75352.0553 100050.2360 151200.1577 128521.0217 205167.1373 7763.9959 20036.5693 121742.3460 72134.7662 107017.4080 270699.1229 91782.6378 41601.0481 84808.9881 76790.7288 38296.8135 71764.1280 104527.3432 51377.5279 87767.1574 56421.0372 139733.0010 108240.9783 132226.9042 85999.4144 191328.3659 281917.1221 193406.4686 194979.7088 N-Methylglutamic acid_[M-H]-_XLBVNMSMFQMKEY-UHFFFAOYSA-N_5_6-Difluoro-1H-indole-2-carboxylic acid N-Methyl-glutamic acid 369465.1966 215674.9188 212635.8921 187113.8024 223891.2967 214516.4229 229301.3455 1923686.9020 1423286.6430 1707108.7370 2533472.9910 856166.7900 518722.0114 432792.6667 509609.0209 1059699.1910 3091454.7470 3941927.4810 1651417.2210 1695889.4040 2379475.7990 2413429.5790 6068309.4650 533412.7104 554367.0106 973127.7910 441865.5769 50322.0950 392565.9030 814943.4493 186367.8187 373115.3424 1037211.3980 540850.7155 384655.0129 781807.6246 255222.4618 723671.2127 508960.2267 1978.1120 7574.3559 2743.3618 1456.7473 1000.9054 2809.0219 1027931.5930 786065.6346 749659.7807 651249.1149 769419.8262 801822.8891 787107.5520 1471467.6460 1444841.7390 1349092.9290 820291.0286 675946.3796 494824.4792 433084.7541 756592.4534 85750.9307 258782.0296 305296.6087 278607.1198 350409.3927 2042718.6860 422041.7225 245021.4656 386988.8830 471171.3728 180940.2285 359356.3929 765586.1847 258768.6917 469751.9993 235666.3978 738387.3745 827562.1933 636827.6562 368800.9141 908442.4187 1417484.1120 997647.3148 453319.0104 N-Methylvaline_[M-H]-_AKCRVYNORCOYQT-UHFFFAOYSA-N N-Methyl-valine 142694.4510 190419.6020 157033.5995 178989.8877 195135.6205 166885.0979 198587.6973 95151.8651 79079.6833 94842.0475 94836.2654 18896.1832 52596.7835 90385.4545 11182.9465 69601.9234 68380.6639 81439.2360 75134.1789 76731.9187 86823.5300 89846.3811 42719.5028 46250.3176 66620.8420 53444.6319 44404.6454 23544.5942 19176.9004 14809.1291 56154.2695 24975.4335 9224.5719 39176.5726 7502.4339 14887.5673 50330.7460 65885.9611 21303.6964 9750.6754 9482.7326 40216.5300 49572.7248 45014.3781 59067.0138 51722.3785 2597.9302 12301.7073 41173.6321 10833.3626 14225.4145 26347.7379 24301.2182 35915.9182 15134.2447 14722.3711 24537.8477 19600.8314 40979.6124 6977.5053 2042.2159 3594.4064 16291.0074 6134.0839 14080.7544 8846.1278 4647.6441 2377.1538 13008.5462 40256.5702 52591.1535 39395.1543 44200.7835 53185.6597 16835.9516 33135.9097 N_N-Dimethylarginine_[M-H]-_NWGZOALPWZDXNG-UHFFFAOYSA-N Dimethylarginine 29936.9966 29588.1669 24587.9433 30578.9778 26836.1991 21268.7680 25768.4481 52123.7147 56969.7878 50293.3084 57043.4843 58306.0291 69152.2765 58502.4971 73126.9459 38890.8170 29080.4440 50609.4149 52696.0338 46101.2369 42794.0795 42461.7103 40972.2583 30217.3635 35656.3937 24958.9105 43215.1563 42531.1626 54864.1989 51246.9382 58168.8341 22910.5056 24989.1515 44258.8583 71534.4534 65728.6952 65519.2429 44651.2213 32555.3866 30052.4548 37645.3244 32313.7728 26306.3564 35475.9460 30628.8521 29818.6678 3835.3653 5737.6013 5547.1726 9494.6945 10660.2487 7494.3012 15128.5744 18790.5726 30521.9233 35560.8016 10626.7610 7397.0196 10552.6862 10250.5754 5747.9067 16262.4971 8959.8282 22313.9476 13723.9203 20200.0750 6664.1152 10381.9607 14635.8066 6055.1665 23358.6884 13667.7625 17669.1118 16826.5317 10040.0672 23529.1078 41231.5437 11227.2259 N-Phenyl-1H-pyrazole-3-carboxamide 127457.5505 142024.3897 140918.2298 169868.4675 121945.7315 132435.5456 95295.4195 515369.6717 451543.2148 407602.1038 451856.2679 597571.2783 558107.2699 479873.5376 589729.9167 587908.5225 548833.3318 496690.0620 565623.6531 525800.7476 469914.5957 619287.0076 439243.0924 408379.8602 462782.5539 385923.2617 399887.6661 322216.6261 545046.8471 527836.3448 445556.8102 484802.5659 333111.2223 498122.4995 539912.7380 581898.2840 529663.8723 385761.0143 381765.3576 1733.9504 2031.9621 1047.6368 598135.9797 509285.7362 462293.5043 440666.3362 441310.2743 441480.4772 578768.0793 602490.7705 648271.2145 450190.9391 623994.3895 508206.3338 477824.5581 493408.0534 498207.4372 574698.8505 590882.0649 503905.6072 680685.7264 468572.9291 436050.0069 387420.7012 578095.2250 440917.6727 489899.3373 453769.2908 457358.0805 503235.1900 420354.1693 432385.6980 508670.5514 461082.5341 481542.8098 584848.2310 741613.5049 558797.1870 396070.6190 537267.1334 570829.3234 Octadecanedioic acid_[M-H]-_BNJOQKFENDDGSC-UHFFFAOYSA-N Octadecanedioic acid 191544.7442 200706.5310 176371.4262 187369.5731 181364.4007 178388.3817 232510.0849 127391.6847 121866.6879 111458.7691 98160.5759 122970.7906 146540.9331 130793.0809 139711.5610 190631.4122 137452.9305 115688.2377 164490.4713 221715.6628 106600.2709 206557.2536 156286.2261 84102.1033 101121.9556 121375.3266 82186.1801 111848.2356 115043.1388 110542.9914 85324.7836 111415.0087 138980.2850 106484.4155 112529.4772 155626.4439 100649.4280 95880.6915 92936.5336 69813.1901 101175.6839 62553.1215 85916.1388 57019.8806 61430.5666 52392.7595 155746.8747 163876.9195 139943.9172 129210.7992 174271.5235 162255.7231 170538.8530 181604.4342 257099.9822 117723.3303 206306.8608 136620.3778 130599.2989 175071.6452 156486.2811 162823.1107 127353.9885 128830.3219 161498.3552 168369.2661 122161.3354 132048.6300 186815.5395 125750.1369 94555.1698 107509.4490 91207.8462 153540.4674 122777.9254 131705.7872 138711.8225 111740.3722 181041.8524 132743.4896 153369.8565 179080.0855 126470.7842 143194.8715 173285.1593 Ornithine_[M-H]-_AHLPHDHHMVZTML-BYPYZUCNSA-N Ornithine 280093.3106 203381.5089 212798.3516 273856.8141 200619.9746 221590.1961 211114.2047 12639.5192 11997.1186 21076.8729 16323.6267 24067.6170 5281.4795 57223.1204 17926.5090 12889.0247 18806.8309 7640.8769 21658.9500 5789.0092 25224.2587 12197.9758 26902.5615 12038.0624 14127.3456 11993.4297 7788.7216 6083.7751 28710.5595 15127.5215 25066.3802 8876.8042 21259.2547 8047.8387 22053.7806 4665.7997 21528.6443 12559.1421 2486.5703 12149.4945 26641.7665 9479.0388 12049.6984 22986.1647 15089.0573 10455.9742 18462.3958 5479.8043 6076.0480 22644.2811 21394.0164 19966.0809 25927.5399 18825.7154 25660.9962 51894.3659 20757.8462 9033.6606 26124.4704 17512.7972 12695.6841 30864.0326 10563.1849 22419.7258 11579.8746 25847.9212 9291.1348 3351.7868 10989.4257 7536.0496 24791.6234 29892.2143 21948.0374 37389.7914 8584.7515 25776.2482 24571.1146 16194.0434 Orotic acid_[M-H]-_PXQPEWDEAKTCGB-UHFFFAOYSA-N Orotic acid 10529.7082 203709.3199 195208.5074 185884.5048 186684.1213 192824.5728 176786.9762 122774.9598 231449.5282 182306.6462 309724.7431 10124.4680 57903.9772 97430.7233 5761.9824 163787.0133 143320.1647 263872.9907 176109.4347 215710.5193 273911.1024 215636.0210 8157.4218 43535.0592 62612.3146 87969.4958 45214.7361 34271.6930 4238.5867 7163.8288 24504.3727 53618.7170 5240.9102 51972.7000 7248.1340 6258.8710 39053.1581 41939.6384 40533.1974 4557.5514 2666.8285 11557.0505 6514.3389 15533.9856 10602.9241 8444.1189 3778.9109 7342.2353 99713.1544 95061.3491 101023.7226 90965.5614 86632.6511 387.3431 60599.9719 24314.6325 33029.8445 32596.4046 100874.1879 48252.5057 10166.4547 36215.5550 34714.7254 50407.8818 4314.4306 129171.1407 2891.8741 25779.2658 2921.9898 13805.0190 827.9815 18663.7578 30062.2692 29327.5798 70716.9382 92639.0561 53963.7020 6310.9543 103257.6013 93179.6735 312.4908 75672.8640 Oxypurinol Oxypurinol 2418798.1390 1916617.6030 2009512.7370 2502843.0470 1929508.6480 1504728.6270 1672957.0930 1311294.1760 2871046.3130 3290332.9720 3014827.2720 2898560.8040 2466471.7950 2901994.5090 3154589.2730 1578428.1670 1252927.8100 1473328.8100 1283945.5140 1118664.5390 273896.0258 221579.6012 1069654.7750 875180.9186 1360114.0220 1010334.5920 1806238.8000 1462143.7420 1828335.4230 958918.4986 1122858.0480 774644.1848 1277.9636 2097918.3690 1824308.8540 1293753.5820 1744061.6730 1563581.1280 1180965.8440 1985238.9700 797113.3416 2169310.7330 1892651.6440 1557702.5780 1550164.3210 1778573.4980 1574108.3110 2282772.9790 977766.4032 964248.0696 1772938.9530 1318452.5970 1420639.8670 546530.9439 1373554.0550 71921.2994 903572.3457 694892.1051 238324.6248 867603.3443 1427086.3240 714930.0316 1126943.2360 591998.5644 1105534.5520 1280557.7050 2007591.5400 1303889.7870 2616158.1730 1949396.1750 1729144.7560 1389021.0950 Palmitic acid_[M-H]-_IPCSVZSSVZVIGE-UHFFFAOYSA-N Palmitic acid 3581.3695 8216.0580 5347.2256 2945.2365 1873.3962 4542.4749 5842.2294 27260.9418 5721.2523 3222.5733 6876.8864 3372.3310 3365.7557 2401.9400 4025.7563 1989.5467 2675.2243 2180.5000 4388.8968 1846.9392 9667.9924 1808.2641 4687.5563 47752.5742 4098.4485 4407.5148 3490.9705 3542.7309 2295.0312 1355.3927 5099.8030 9497.1675 5561.4631 7429.4066 6463.8376 13312.7259 14102.4055 9108.7078 22732.7674 1654.8423 7019.1922 4623.6374 9346.0338 2579.4219 3596.2775 5055.6252 3386.7430 2818.9200 5498.8149 7765.0696 2843.2651 6449.5993 8272.8213 4198.5363 3575.5101 4726.0243 4654.6504 5353.7205 2198.3505 3817.1696 4365.8628 2035.1709 6744.3701 4355.7644 3020.1828 4925.6823 8479.7181 Pantothenic acid Pantothenic acid 2059274.7810 1658311.9750 49652.9830 1291.6417 2203.8442 2017.4046 153487.5654 7199538.4650 176808.8196 5379710.0080 2282.6546 215.3493 2693199.0820 186616.7325 873113.7543 39719.1583 2405.0027 5744653.0600 688206.6273 1181.1596 222487.5259 4920869.9170 2268411.1940 12485.6519 47162.5636 2009474.1510 522.2692 5781671.8210 8408077.0380 25576.6436 11701.2692 415718.8989 4272.8120 6739542.0260 1448873.2740 140686.6909 19009.8197 11083015.0700 12500752.4300 3365.0600 3924050.6240 3823483.2560 65056.7043 1318.0770 527849.0181 589533.9779 4716105.6350 2728.1092 332196.2770 1393.3745 5191126.6340 2934.0648 1219982.2780 1326.9470 4105612.4090 6201898.6140 7319914.8470 1628.8671 2633.7863 1193720.9850 4884119.0840 1830.1535 1437.4919 3436005.2630 Phenaceturic acid Phenylacetylglycine 235002.8433 195860.6714 121171.1696 32946.4547 76943.7203 50970.5097 61746.4566 145019.5356 95133.9313 74011.9691 174560.8046 131610.1425 105769.3421 245180.3775 147435.1674 120524.8770 109441.9858 100885.4910 109380.6823 87416.7939 105869.1330 63970.2468 132059.9929 57719.4687 117690.4741 89428.7091 68733.0141 61892.5607 153010.5918 180181.6202 83251.0604 103698.6420 73154.5948 90904.6252 162630.0793 163363.6533 85354.5491 96531.6181 55966.9474 10224.5487 3018.1239 5650.2822 5557.4473 5814.4261 6084.1615 168402.0328 88811.0436 68387.6710 69313.8001 116918.6195 98049.5925 114233.3124 88969.9927 101026.6051 76253.5601 101286.4687 68048.3406 49283.5449 60950.1897 72968.1196 106756.5750 169171.5488 72930.5697 72131.7769 97813.8485 80939.8412 45942.3939 119410.3500 58650.3364 110631.3500 67452.7946 126430.9630 75808.7238 54555.6792 46106.8654 58566.1847 83942.6091 127086.8913 102896.2208 172196.5989 80739.4105 110218.4977 117267.2625 99157.3566 Phenylalanine_[M-H]-_COLNVLDHVKWLRT-QMMMGPOBSA-N Phenylalanine 535522.1631 402409.3699 387498.9123 428997.6889 408569.8824 365678.2904 403649.9939 91365.3879 81778.7131 89376.0921 85502.1066 115040.9059 102408.6039 146818.1442 127947.9615 86039.8928 80190.7118 96191.9372 94110.7212 100913.5341 102565.5060 85226.9875 112631.8015 72169.9819 73180.9194 56651.7189 83172.2622 60806.5156 177749.4958 170443.4724 88449.6299 54616.4763 73547.2624 49337.9529 112447.4450 165265.3161 89647.1173 77718.5898 55476.0870 91819.8878 71882.9689 62581.5819 64695.3930 52667.7187 65501.5571 82098.5387 62894.9778 59527.7750 43001.8235 66417.8748 38746.5044 41779.4367 46776.6065 37928.9686 68721.9143 105543.1145 27526.0921 40439.2324 45248.2317 65777.3205 8153.9341 83629.7760 40217.6058 77447.3910 43851.0578 75974.7053 28940.8258 22913.6953 18818.8279 14379.8016 56765.5605 63732.8134 74809.1297 111622.6928 48689.1704 62792.0499 74006.5575 51812.8128 Phosphoenolpyruvic acid_[M-H]-_DTBNBXWJWCWCIK-UHFFFAOYSA-N_Citric acid_[M-H]-_KRKNYBCHXYNGOX-UHFFFAOYSA-N Phosphoenolpyruvic acid 1017608.6920 826493.8845 937292.8512 1133812.0340 801645.5057 1032499.0470 747022.2399 8770114.9680 5866916.3580 3691132.5670 5296401.6720 4309908.8700 6630337.4430 9356588.4620 4351226.0960 13333738.8700 12653443.9200 7754111.9790 11598691.9400 8996663.8430 8965448.3520 11526345.8700 14843591.9100 4104027.4850 5256881.9560 4988132.5570 3606988.1990 2044704.6840 5362919.2470 5712446.1760 3115198.1410 6281690.8080 8173590.4140 5062545.8210 3466504.1560 7183454.9530 3146676.2200 5572066.6020 4859383.4170 1279940.6030 1983092.7990 1510087.5400 1272911.8550 847690.8482 1143514.3580 1274324.8870 7157059.8790 7235403.2970 6991757.1530 5858753.3150 7954044.9080 8713996.2740 8819462.2860 7410618.5880 8349033.7460 7469766.3290 6052705.4540 8437850.2130 7073110.1040 7817588.7080 2891999.1520 2708877.5260 2047704.5130 7048064.4440 2320102.3110 5906188.2680 8039867.6960 3198730.9270 3260277.0410 6391080.0720 6319091.9180 3961183.8410 7031883.7110 4946755.7110 3261583.1400 3704377.9570 2526914.3450 18540934.1300 11651850.7400 17890727.9300 8507714.6860 11058563.6700 15768052.0700 11443480.7000 11550678.4600 Propionic acid Propionic acid 2361371.5810 26230.8270 85504.1024 61133.9770 74804.4199 30809.8607 31916.0329 69394.6275 73771.7632 72701.1643 54241.8059 1448941.2230 97806.8744 71274.0397 1543618.3530 143771.5362 200946.8208 286106.6019 267170.2809 245051.8116 165497.3933 35021.9687 612636.4687 58048.1359 30727.1376 50944.4223 44646.9652 17088.3921 1278707.2900 1062180.3190 49670.0550 94381.5223 1116507.9900 84734.1900 1546545.5380 1500892.0250 50742.0166 38915.4346 32437.5446 82504.9144 558797.8168 18595.4348 3807.1578 13351.4815 7134.7871 2103.2137 1648152.7410 118657.3695 79159.2251 104460.2457 76402.6915 24503.0817 57768.6592 2044924.2680 3078416.7470 152354.6372 1932311.9880 218699.7609 118390.5241 121770.8410 200576.9500 195954.4241 1649366.2590 63802.1877 115460.1664 39654.7788 1555837.8070 82438.2622 755888.0226 61166.0257 944614.3570 20628.4573 91402.6654 1674889.0300 54481.2639 58213.7863 54041.8735 27872.5176 107685.0198 100586.8424 2300087.9920 133253.2149 141679.2329 1692719.2810 110247.3169 Propionic acid_[M-H]-_XBDQKXXYIPTUBI-UHFFFAOYSA-N Propionic acid 521632.2134 445867.6091 466864.5118 466290.6457 453229.5308 14994.6989 22345.5071 61335.6505 79235.9249 69806.3732 85159.5764 68055.9090 56484.1045 71088.5108 61197.4456 77736.4094 78520.7190 87559.9805 65992.7886 72612.6530 87815.7887 25263.1174 106947.2103 53066.4085 12997.8202 64269.0241 44250.7636 13501.0792 40867.1690 46019.3493 33327.4681 17595.2683 13632.9556 49989.9917 39301.6442 58139.1877 40175.1043 46147.5454 47497.3902 14284.4295 16556.3467 12773.2458 12213.7711 8693.3794 8644.4860 7749.6794 57908.3560 58250.1876 57901.6623 60062.8508 59284.6792 52134.7072 20425.0397 88539.2832 115401.0516 97340.3600 77350.9383 49226.4806 45463.2879 46196.9930 100082.1238 40726.7159 39297.4251 44114.2069 47392.3411 19428.2908 64700.0779 38454.0069 49068.2674 16527.6718 27005.8882 22680.2533 37587.6868 44427.7810 29849.8166 40851.4300 24836.1771 63277.6033 16155.1819 18967.4138 51529.5448 121675.1315 87224.7901 65697.1419 61545.4911 Prostaglandin E1_[M-H]-_GMVPRGQOIOIIMI-DWKJAMRDSA-N PGE1 39880.5012 33095.0520 34408.5198 22507.8157 27264.6204 22204.8864 136717.7178 92429.3567 62797.9408 121785.3347 75139.5155 26737.3845 200114.8574 85170.3516 74498.7002 143482.3365 90392.8869 100531.5978 188221.4423 107593.5676 67851.7612 53164.2075 224572.2113 121229.8202 96363.7840 130932.9460 140533.0529 74448.5207 113249.3267 69218.8314 108860.9618 205795.2126 118790.1843 82292.3951 182332.8062 81123.3973 144262.0822 86237.2636 150933.2033 132147.8634 121985.6932 136743.8631 121180.8496 126327.1568 93052.1885 226970.2200 169556.5457 144187.1639 179162.6610 159241.0529 95191.7122 196516.3994 183611.9996 150448.3585 55679.5493 79589.0859 88166.3749 117232.5956 130046.0334 93345.5341 106877.3160 29600.2229 66986.8771 6116.8662 22317.3011 141958.7377 15407.0571 121513.0862 33080.3692 114513.0090 139603.1541 107154.1043 19680.5301 159673.3703 118622.3558 157511.6193 105988.7897 Pyridine-3_4-dicarboxylic acid 137866.5051 312155.3591 263471.3338 286514.2633 259025.5864 261238.3192 103063.0822 4002017.9550 8303965.9620 5217667.6530 7418888.0570 2034251.6900 3482309.5490 3036560.1150 795250.3526 4665008.1280 3331804.2860 5470453.1720 4650967.6910 5807160.2650 5035318.1360 1559041.7960 4354471.9330 2838363.4030 1541559.3180 4041802.4670 3226377.3310 1032934.6750 481042.3615 1023553.8860 1634332.6390 1642559.0720 3535407.1070 3112478.7610 700903.3445 558662.9180 1940734.3500 3810310.4500 2865418.9290 68630.2699 88458.3417 61557.3749 45888.3915 34490.8911 45562.8803 44419.4952 1271158.2810 3017861.8480 2555158.7000 2517434.2500 2537893.3090 2662163.6470 511551.9569 1142195.9500 1712309.3030 1182754.7940 1662078.5610 1384102.1190 1033145.5050 1072672.6580 1572933.9360 1359499.8270 1118657.4030 1080085.2970 1157885.4090 264380.2303 1329793.9380 1071420.8180 369062.8421 973631.3555 263250.3314 549151.4494 1189357.7250 1144792.8240 698519.4022 1117288.9090 796412.8438 579398.7844 1567056.2450 1445428.8750 551955.2591 1265042.0190 2553383.1270 2546266.7190 2033991.3990 Pyroglutamic acid_[M-H]-_ODHCTXKNWHHXJC-VKHMYHEASA-N Pyroglutamic acid 838549.8630 849010.8400 983632.8934 847361.7136 1130149.2440 1117736.2350 1355787.3670 5694458.8650 6045134.7360 5625261.9960 6055117.8850 5168599.8280 3851864.4220 4173520.1960 3908430.5720 4666400.5710 5083380.2660 5379543.7170 5470833.3670 6384174.2490 5534957.2700 6737638.4760 6196750.7010 3542320.1980 4222586.2330 4461087.6160 3987188.7150 1389841.0730 3034416.4470 3672108.7720 2294019.5940 2302114.8410 3626648.4520 3601675.8820 2654959.2480 2864257.6920 2617521.2270 3940514.8640 3520236.4670 124694.1888 226853.1742 125178.6610 112501.3654 120759.9895 126898.9522 102689.8844 3726760.9260 3365999.9020 3049243.8110 3172369.7980 3201829.2430 3213123.6380 3410265.0290 4313091.6380 4235312.2570 3384982.3300 3125526.0210 2501422.0720 2220726.5730 2181272.8430 3328318.3570 1298912.8140 1914131.1190 1966624.3010 2514774.4080 2483067.9650 3154218.5050 2299186.2710 2571789.4690 2073838.4640 1647833.6090 1056158.9680 1689916.0040 3108104.7200 1520766.5580 2632661.0070 1784857.8340 2205968.9970 3130604.0140 2639863.5660 2365313.5140 3770157.9940 3790743.1870 3762171.6410 3379951.7340 Pyruvic acid_[M-H]-_LCTONWCANYUPML-UHFFFAOYSA-N Pyruvic acid 755254.0754 690210.6451 913012.3472 1371624.3720 1511862.3480 2599244.9140 2064788.1150 10819524.2600 4007393.0210 2198188.6990 11753788.9000 1092513.3560 1433783.0630 3769983.1260 928222.9595 3591911.7300 5695420.7010 3868173.8050 2632224.2730 1684521.1630 4209629.3010 14006829.6000 1774430.6370 797145.6283 2645548.9640 1404532.8960 851236.4339 1448517.5470 695674.7266 742079.4797 787442.2494 989358.5968 708988.4860 1547791.0650 594253.2347 689605.9890 789914.8025 1523603.5850 817403.0885 431842.5073 498238.8005 420085.7927 438247.8021 519048.6577 629697.0881 692301.2233 902535.6379 1207844.6280 1310516.2520 1431468.7320 2601054.6100 3645312.5350 4574170.4790 694691.0842 756990.2731 1118217.5500 710695.3343 746313.0850 1146201.0420 1601623.4060 902489.9454 720933.4628 628271.9568 2618050.2370 802130.4688 2284615.3450 685459.3532 730633.2026 566931.7144 1436247.1870 594577.7878 1600033.9360 764663.3724 638072.9395 983869.8408 836153.4611 739592.0291 5044248.7010 5392731.6080 6960363.3000 887300.8799 3055155.4920 3573674.9760 963779.5976 3597446.2910 Ribose-5-phosphate_[M-H]-_KTVPXOYAKDPRHY-AIHAYLRMSA-N Ribose 5-phosphate 13802.1289 13864.1300 25575.0393 45095.5598 25008.3928 61982.5043 53644.6395 11445208.3300 10039044.6300 11155150.3300 11787355.1700 9128967.6940 9497440.7120 10002747.1600 6386568.4360 10204703.7900 13151152.4900 11933113.9700 12016640.0900 9951525.1030 12643673.6400 13742169.8900 18155211.5700 7103431.9850 5969366.8840 6290213.6820 5692896.6390 2343814.0170 6920941.9560 8086216.7780 4852230.2580 5147444.5480 8083812.8920 5890113.8220 4317421.0220 6692988.1440 4088411.2850 7868634.9690 6799821.0840 8399.7418 41145.1019 30954.6602 29130.5844 28132.9475 28471.0717 5964142.5660 7017807.7340 7413502.3260 6237378.8290 7442424.1770 8012372.8530 7177203.1960 6336067.9540 5450161.5560 7660550.7060 6425195.6110 10168772.4700 8065737.7040 9145117.3300 5262457.8660 2607207.0320 2370102.5250 6216394.1110 4059491.5060 6590545.1060 8065654.4340 6609902.6010 4573516.0380 7049449.0460 6797036.2330 3877813.4070 8183911.5990 6250473.8740 5462874.0460 5785488.7400 4084230.5280 12141486.7300 10354326.4100 12007152.5400 6767992.8060 8662758.5500 12454673.2900 11558921.7100 10149884.3700 Ribulose 5-phosphate Ribulose 5-phosphate 194373.8021 210234.1584 225951.2481 256101.5114 62708.4321 56818.3895 111273.8889 95016.9854 187750.4615 321492.3517 147669.3251 92428.1434 197227.1589 240337.8927 616914.9242 43838.7010 37923.7227 61421.8158 22318.1763 74472.4040 58532.4292 4230.9024 10401.6407 89849.6453 19701.5687 8836.0437 56554.0291 79815.2048 43451.7789 8440.8832 18575.7214 44801.2678 24415.0805 39007.1080 70832.3260 34650.6678 45175.4988 56106.4598 106940.3715 23190.2048 103566.0535 78942.4694 67044.1686 8225.2120 45830.1535 3960.8207 68004.6574 183132.0168 55217.6217 17151.0287 53318.1592 33656.2950 74879.3249 28259.6697 15975.5069 24506.0031 6406.1906 252362.0281 143047.7577 159484.9338 13998.2594 81282.8715 327020.1639 174200.4566 131242.3610 S-Carboxymethyl-L-cysteine S-Carboxymethyl-cysteine 1382.3141 7319047.3140 6249732.1800 9072662.4680 6599076.9090 982555.2008 2819223.3700 4188321.9270 311463.4924 13789317.6900 10581218.9800 14323116.8100 9125254.6750 12264598.7500 9783996.8870 9910399.4030 8735597.0600 3086687.3350 4500294.9490 3559844.6400 2955361.3030 348643.3247 258801.0518 703660.1309 949252.8751 1848140.8680 1495400.1570 2294907.2700 280460.0108 579984.7523 1411469.6840 2213672.4520 2411641.5130 1718682.9560 6654706.8210 6138794.8860 5670446.5060 4879257.1970 5267434.9990 5411828 3078393.4220 3696762.7890 7395953.3000 3212988.0980 6416458.5860 6359212.3820 5725212.3130 7443174.4170 2726541.7590 830212.7344 6409321.7560 6029529.0070 7098298.2330 3934585.9710 8833139.4970 972481.2168 4762009.1440 293332.1637 734661.5872 3661332.3540 3678140.9680 1894393.1190 5287528.0050 2066750.9430 5712551.6110 8909609.8180 5163479.6530 708621.2829 13341424.4800 8162561.2770 5735554.3720 7755909.0640 Ser-Glu Ser-Glu 490144.4185 395341.7577 333289.7904 473629.2390 700924.5058 431235.4879 312069.3631 453881.6951 399604.9896 428128.9894 354729.7192 482365.0520 481801.5229 478170.5116 569229.0658 314203.7698 204061.4662 315446.6376 143489.3017 436026.9099 204148.8596 200410.5510 153078.1442 396441.3678 196633.4133 298308.9427 305023.2994 483612.8427 139993.7729 396930.9517 357998.6615 293578.8288 239463.8106 263496.6492 243768.5691 240125.1298 254140.0195 223645.6319 257307.8863 53585.7280 17421.3732 100535.2811 152711.5047 160051.7757 135698.0271 124501.5486 94814.3116 30112.9485 102695.5111 106065.1776 71547.3690 136079.5908 146434.0053 106267.5199 30724.2370 105480.0950 170185.4811 73338.5297 129501.2751 102278.2822 68625.3289 102832.1029 45538.0698 97582.3696 134768.6543 158219.2471 13265.0632 120432.4745 115225.8382 140250.5584 146908.2065 Serine_[M-H]-_MTCFGRXMJLQNBG-REOHCLBHSA-N Serine 3382687.4060 3082434.1440 3208312.7410 2893669.0520 3375421.1800 3405817.1740 4014779.9000 8891655.8030 7920142.2970 6235893.7240 9443164.2120 4739341.7090 7771999.0100 10483369.5700 3662365.8110 7416161.5190 6664844.7600 5169129.1610 7349821.9020 6494789.4590 7239297.4210 9283018.4550 4481155.9170 4079091.3200 6535077.8980 4607965.0810 4677914.8690 4825281.8560 3757483.9360 4104027.4670 6240764.8970 4337534.0450 2949506.1090 5606423.7830 4339006.0470 3469024.7250 5980105.7310 5769605.6010 3758153.1420 365503.7826 1459547.2810 508303.6175 405935.6194 770083.7262 1338067.0060 364326.8311 3174610.7390 4564109.1860 5000693.7740 5282420.2100 6167580.4260 6466843.8130 6542190.5890 2509734.9950 2473197.6220 4327236.8540 2876579.9700 2708707.2600 4169664.8130 4861281.8340 7824658.2740 5932204.0760 5392288.7990 4526156.4070 3416976.1340 5658972.7450 2319246.3080 3067915.9550 2886417.3130 4221001.3650 2786513.1210 3849836.3980 3844272.3390 2219757.8070 2531632.5970 2836308.6930 2301200.9440 6195439.7880 7454147.3950 6095613.1500 3702123.1680 5572219.0180 8356401.5910 4738085.6230 4578664.5420 Ser-Ser Ser-Ser 276144.6701 191564.4648 246961.1257 331117.4647 156799.3959 229199.7414 326.3004 37846.1920 48269.1941 41372.2297 71243.7603 424849.0980 42455.3142 56329.2960 971521.5463 21579.2978 54132.4059 101791.6722 41027.6631 47483.8608 91195.0506 49902.6285 19790.1504 10638.5102 71062.4671 43888.7191 551236.8415 379767.0565 110788.3721 45047.7477 61378.1288 40077.5136 789429.0176 457649.2773 90634.1667 15562.0642 30443.9780 48949.8667 2782.6490 4493.2310 2053.9493 207567.5335 56432.4147 11917.2938 23049.6302 12898.8917 104297.7806 59733.7534 38290.0398 6599.5852 6660.9079 293189.8444 80359.8214 46602.2468 313375.6069 208819.6318 66086.6769 15296.9376 11243.9374 50108.6967 6278.3726 286406.3811 26045.3003 Ser-Thr Ser-Thr 4234.0580 2660.1224 5288.0578 7625.3614 2255.5425 198450.7193 246553.4498 208025.2738 201058.5045 428473.2049 326752.9753 479486.0527 681234.9906 320145.2831 164544.4991 153828.2778 383122.1417 364759.4955 234125.3133 226684.4432 138362.5833 175722.6778 312884.0498 117887.1554 334647.9472 256396.7626 410423.6013 344206.7679 356591.6546 178370.0801 227751.6526 270595.0155 613192.1342 434652.6082 506950.7687 243767.2684 244903.0191 14827.5150 209534.6885 207513.7801 178896.3974 183936.2377 175809.2875 195208.3575 227038.2000 172493.4475 161431.4079 79507.8693 205867.9333 123468.5414 105756.4838 126718.8303 178606.4066 146013.8094 327021.1659 160175.1993 148657.8228 199918.8739 98505.6815 118238.7242 415719.0425 96710.8629 170142.5415 84942.7339 103385.9550 103053.9279 68590.1883 90497.1748 57313.2235 41739.0616 141621.8771 78940.7601 260146.3796 123497.7667 54107.7807 88912.7767 120260.0169 S-Lactoylglutathione_S-Lactoylglutathione 3344.2010 2101204.4270 955841.1296 750005.4416 1417405.1860 957988.5742 654713.4016 335269.1790 751182.1702 741705.6491 3111571.2750 2038575.2230 934368.2540 889789.9997 1855453.3950 2208174.8390 1609390.6740 415241.8310 489927.0357 220982.1616 350855.0679 141720.4846 686837.8985 849001.0812 401614.5836 559007.6600 988377.2619 463041.1132 593041.5014 758593.3588 304320.4927 713560.2007 519333.8616 4729.5302 724190.5308 640659.2676 602583.4562 593770.1597 656636.4568 696201.2622 677049.4512 398318.5272 204745.1804 390595.7503 261443.9344 383210.0080 353558.7729 376729.8689 212506.5711 77215.7562 83454.5773 247890.9101 199746.4316 231049.4283 440959.6120 246806.3936 208622.4737 262994.7605 723749.6341 129637.2177 358732.7805 282585.2754 233479.9097 196820.4751 269203.8297 1004648.7040 647867.0558 920766.5159 290776.6164 342774.6379 725629.8897 650170.6845 631808.1822 Sucrose_[M-H]-_CZMRCDWAGMRECN-UGDNZRGBSA-N_D-(+)-Trehalose Sucrose 305329.7014 531345.0859 407689.1375 369091.4109 493705.0557 316860.7541 399143.9070 1555313.1280 573781.6202 531038.1679 363493.5711 1311820.7960 1024542.1870 14809903.8100 4870899.7690 1277346.3800 681530.9760 587776.4636 1188603.0710 1098291.8040 3704774.0550 1261688.6320 539546.6036 723801.9541 550681.3362 574417.0937 179567.7520 9685511.7810 2693630.9850 1106704.7780 1122555.0750 1469002.0960 3046480.7560 523625.4048 523561.3696 1064150.4890 1158945.1580 752813.2072 1029987.2910 280919.7610 334184.0619 305017.9535 230717.8909 300643.8563 402288.8876 160800.1641 3265034.5020 4045418.0470 3384059.5440 2907344.2830 3655183.0020 4068035.0580 3415574.3670 1308700.4850 330669.2699 408570.2910 355274.7152 693807.4576 978448.5174 4826038.8750 4307675.4680 1095686.0340 1024967.8890 1128209.3710 485799.8944 593757.9971 310013.4064 660290.2963 1125446.0730 463060.2545 275852.5905 373163.3077 3175710.2120 350068.5277 547995.9580 1230195.8080 7443479.1870 511270.5365 527815.1084 909727.7925 560782.5557 488764.8187 1299679.1080 2302898.2400 1929116.1070 Taurine_[M-H]-_XOAAWQZATWQOTB-UHFFFAOYSA-N Taurine 375580.8142 985833.8288 576296.4371 413996.7412 256259.5562 221387.5517 240279.1756 11922028.6900 20025643.6000 28247737.5400 14366356.9100 10086752.4300 17044773.3600 10919771.3600 7252323.5800 19015130.5000 32340721.2800 67869496.2500 38369345.5400 51566281.9400 39747633.0500 15877788.7100 25111588.2900 21545260.4800 6974258.1540 15396514.9600 22020959.6800 1796271.8520 8044978.0610 8529360.7460 10464398.2000 10840133.1000 14900697.6100 9911369.7220 5326903.8560 6013874.2700 8879224.4760 15097599.0900 21282739.9900 24011.3076 85442.1638 189339.8866 89351.7227 61047.3071 47722.3336 28823.5021 9472506.1230 5460335.1590 19796565.0900 12548891.5300 8398645.4550 6235814.2500 6570619.1150 7042467.9550 6015343.1330 13425318.2500 4791694.7550 20776293.9900 10897524.4200 5018272.9420 17052992.9600 5691866.0920 2738216.5880 4215741.2830 9911064.5730 4147421.6990 9903126.0390 10555890.4800 3797781.7740 4848698.8020 3291445.5190 1388487.0740 3286213.7520 4650919.0430 5372935.9830 7725541.1070 8730657.9130 6698893.8570 7181027.8430 6286043.7540 4175972.1270 8843621.5320 10499678.1400 8440734.8600 6779704.8500 Taurocholic acid_[M-H]-_WBWWGRHZICKQGZ-HZAMXZRMSA-N_Taurocholic acid_[M-H]-_WBWWGRHZICKQGZ-HZAMXZRMSA-N Taurocholic acid 1651.0301 1766.8125 2449.2318 2173.9108 714.7192 1599352.4400 3421.8615 8041.0001 5420.7300 8923.9330 19331.5120 39163.0363 3680.5412 1759.0008 6323.8163 11549.7886 30928.3963 12378.0212 131963.2481 216095.3578 26142.8098 43631.6880 25712.4211 2497.9142 12035.6233 7472.3495 64840.9048 797776.3184 71850.8634 64709.2878 3338.4204 5117.8834 610750.8544 207282.6352 221035.2061 149338.4488 190502.4610 168957.9744 139544.0566 208077.4752 56411.5468 709760.3190 55042.3662 7300.0571 41457.6418 23739.0863 2282688.1870 61372.8053 12015.4669 133107.4911 54457.8645 7298.8839 1271.3757 84865.8960 41130.9333 3526.7779 47469.0303 9717.8957 4327.4534 444107.6942 54331.9560 214191.0251 46365.8579 17488.1491 1503825.6430 110434.2946 565415.0230 59545.7393 3937578.3050 Tetraazolo[1_5-a]pyridine-8-carboxylic acid 1613.2850 1709.0082 725365.6261 1095090.1190 877763.5141 1253842.3790 378185.7439 415867.3215 501950.5168 226302.5901 952509.6346 870041.3722 1337395.6360 1013213.1310 946357.8585 953574.0442 960292.6167 1225539.8200 465099.1462 736790.8788 788011.5148 611173.6537 79723.4040 200493.4402 281882.1042 188031.6567 304841.4935 341056.2856 643916.4483 243300.5799 360139.6021 263356.8456 451853.1878 447045.3624 7272.3542 1858.3720 1685.6914 6318.1678 765858.4499 432761.9301 406073.9799 456885.8879 422464.0281 424460.7019 494410.8587 894508.3762 762690.3060 761355.0616 541896.7118 439263.6805 473709.2007 462152.4187 611369.8829 156065.2364 183226.5323 408572.1906 423157.6462 463124.3663 534170.3460 479420.9972 330075.2615 357469.9570 129757.2916 106448.0704 198171.2161 525527.4757 190120.6248 571360.8394 217630.0947 411532.8848 510598.3876 339156.6752 274287.7409 707290.9404 666507.0649 483738.8720 502697.2810 Tetradecanedioic acid Tetradecanedioic acid 434094.6834 384875.9348 325902.0683 347501.1723 302645.0503 288545.8912 275975.1521 35853.2063 43642.8992 43577.0827 28320.6003 33614.9810 26344.7892 54687.5580 40618.0591 70394.5448 26549.0539 64358.5249 71701.3970 69429.9693 70314.3995 41461.5869 68515.3371 52728.5653 42906.3278 96651.2842 63723.8942 31497.7126 48963.6142 50661.9245 55563.7391 46557.4009 60111.0857 61287.3873 34387.9132 102353.5085 46430.8041 65149.9076 18852.0524 19257.5701 14062.2735 9755.1219 24971.1411 26973.3772 2503.9316 12113.3743 152167.7626 130075.4167 98092.3953 91102.5798 106648.1856 92518.2987 80552.8729 120721.7128 259449.9503 113453.8051 136106.4281 103734.2407 78530.5771 81950.5420 117998.6325 50877.1235 75899.1521 89113.8195 88341.2489 91512.4294 75693.2565 76641.6378 119856.9852 66789.0654 40019.7394 21356.3177 60044.4173 126812.3605 36185.4482 93220.2567 49706.4816 68166.8850 60463.6336 35259.3154 54877.1644 109087.4563 92254.4710 98240.8313 145612.4195 Theophylline_[M-H]-_ZFXYFBGIUFBOJW-UHFFFAOYSA-N Theophylline 405970.0876 380201.4085 408015.0848 346146.6515 390452.3128 320880.3678 170830.5584 16846.6158 17770.7576 23262.5988 4409.4317 15144.7671 3562.2600 23157.4000 18150.4295 19220.1566 34537.8009 41645.0559 23863.7299 18612.8850 42783.7214 14535.5996 27069.0574 30008.5763 15609.2809 3043.5031 12557.6684 3043.3964 7240.5020 3154.7254 11233.8055 11914.4404 19616.0501 21874.1080 3157.0109 23119.3634 18980.6955 19251.2806 24104.9684 46882.3845 51429.8420 44876.5624 58078.2526 27051.9547 23791.6872 40270.3740 61784.6066 25633.8037 6762.2799 32322.9859 38635.3423 32033.3406 44184.6267 40698.3000 14819.5324 4097.0695 1971.7111 6173.0940 44466.1999 9055.9223 42545.4453 13721.6313 8120.5250 39885.0733 14606.4237 4932.9956 49743.8715 23784.8674 18978.7459 37896.2798 Threonic acid Threonic acid 1706810.5840 1521360.2390 1505064.2750 798161.0352 1670818.8170 1058883.3510 2221414.4400 2569404.4880 3407032.3100 2741852.9680 3361973.6340 1186632.9210 1415555.0260 1969367.6190 879343.6522 3242609.6410 2878737.2210 3598563.4540 3775695.7820 4253122.7770 3114246.0120 3846925.2940 5085175.4270 1780809.0680 2356939.5920 2875213.7610 1659408.0560 646425.1359 609173.5592 820590.3843 712414.2463 1202907.2840 2706175.0800 1616390.2210 734234.2137 867985.1300 842707.6884 2040524.4890 1724835.6470 92398.9569 222132.4783 175874.4105 200574.2054 175281.5921 186266.8197 171626.0305 2529103.9410 2789372.0200 2906078.8350 2228017.2130 3100362.9580 3510982.1260 3779838.2550 2546000.0490 2757745.8530 3490978.9110 2464124.3110 1677948.3250 1708215.6850 1647691.8060 3160954.9360 623940.0746 697024.0850 1426313.0040 1224980.2170 2475592.6760 2199515.5930 1995157.7570 1268664.3300 1277253.8200 390197.6952 489966.6629 769466.0472 2074051.6730 763864.2589 1536470.1300 681970.4406 1735091.9410 3428114.6700 1530250.9220 666923.9637 3505263.6890 3019058.8610 1555725.5270 3062598.1180 Thr-Thr Thr-Thr 2037.3179 355813.4666 519896.3152 395724.1475 459147.8694 631642.9127 427059.7203 824390.1754 784531.3141 529949.5658 386698.0535 440498.7854 690622.2067 547469.2719 488021.0645 474972.7287 488699.7032 210864.2103 407991.3748 228028.9645 391849.5498 211131.2651 332472.6621 299428.6313 289012.3639 189671.8732 434968.8383 259851.7996 667809.1968 364185.5811 382078.0516 370490.2892 335466.7654 11995.6094 304500.7909 258356.7751 228195.2271 224927.0744 273032.9495 259378.1097 267899.0465 236209.9637 222210.5992 117095.7422 233875.3976 159758.7069 150379.0476 102563.2247 169558.4931 89577.4560 316706.5412 155356.5487 78951.8618 168449.0858 268788.0119 108686.1196 378083.2146 109519.6506 204302.5917 83088.6158 118631.5108 99728.1003 63872.0549 89467.2413 44621.5068 101643.4720 155881.5825 175083.4958 274914.8166 146693.6728 186357.8063 149445.7030 182440.2240 Thymidine?5^-monophosphate_[M-H]-_GYOZYWVXFNDGLU-XLPZGREQSA-N TMP 14705.8483 41609.1837 24352.7209 28947.5905 8909.3730 4617.3816 1425.2875 1019.9830 17805.4200 2809.8948 22534.7779 5550.0931 9890.2637 9301.2991 13644.0366 17878.6065 3210.7617 13781.4974 10507.6991 12839.4073 2427.6692 2916.0084 3689.5404 16847.3093 9210.4462 6636.0385 3321.9696 12523.1834 13763.5842 2832.9498 1962.1224 2391.6583 1908.4334 1244.8517 2800.0702 1296.2027 1258.8034 328.5731 894.3880 Trichloroacetic acid_[M-H]-_YNJBWRMUSHSURL-UHFFFAOYSA-N 1204975.3640 921654.1672 914369.6041 862151.6505 911070.6710 914924.7517 911444.7879 425010.5558 449888.0846 415370.6986 427926.2822 471050.5043 445566.1409 594585.5099 506016.0385 586533.9313 447220.5370 488785.5525 580970.8133 665110.9660 439711.0355 459077.8262 608628.2314 403004.3994 450468.1518 502116.3356 484242.3424 302477.9954 483807.2069 487955.7562 345074.7262 391893.8231 497441.2720 435863.9681 394113.3297 453667.9180 376988.1668 406027.0695 456986.6148 157943.6507 322368.8858 162654.9425 130216.0027 115964.9357 160169.8805 136488.1502 408008.9093 454189.5857 384625.1640 375610.0270 407714.7513 445736.7519 379533.9177 648380.7001 725229.4309 493238.5075 548675.1625 348180.7430 359981.4408 423848.7594 629517.9734 245788.4442 258864.2079 369174.4721 377327.2137 455404.4122 449577.5526 439214.7235 397112.0067 198335.6754 238679.4347 127516.4879 214653.4918 399430.5368 146709.6627 357659.1639 240689.2121 370005.4878 385499.6326 284261.8570 271739.2409 652909.3913 377996.4309 371674.3792 425017.0452 Undecanedioic acid Undecanedioic acid 536401.4683 376084.4581 406236.2556 474385.7863 414421.8557 345205.2724 285711.3272 388125.6518 475228.4028 290995.5736 270247.0836 543883.4044 673140.4434 781603.5267 508991.5011 594681.5086 372439.4422 323110.7877 520288.2862 827320.8267 401409.1323 410714.2111 446878.4259 355275.0794 329887.6380 417904.7306 365244.7908 462494.2564 709633.8242 702707.5423 455096.1482 478483.0622 497045.0428 390544.6161 507403.3630 665963.1237 571736.3049 451618.3551 385937.6711 548212.1415 408548.1384 239023.9151 337336.0031 327552.6831 221673.0128 156568.1570 952440.9414 729249.6626 684961.0712 668868.9835 734258.5289 789410.7508 823598.1841 694501.9367 1294700.2820 532380.1024 783998.6561 567146.3806 570598.4087 688364.3186 1208974.6100 881167.8498 940339.1581 583841.8554 616094.4555 619121.5775 525550.8453 468107.4823 1087463.1250 528051.7538 453255.0722 441140.2024 465918.6645 663720.1265 414115.6909 471162.5228 524033.9519 2786327.8310 555956.6832 774771.7186 826165.8215 736527.2121 1388835.1910 1676988.2080 1010425.0710 Uracil_[M-H]-_ISAKRJDGNUQOIC-UHFFFAOYSA-N Uracil 106820.7716 98571.1024 109105.9780 169860.4747 87054.6504 91772.2233 77875.1203 11778477.9800 10510709.5200 10061269.3200 16826457.7400 9614435.2080 10575626.1400 7877743.9370 7954147.1740 16328706.6700 14801113.6000 20006392.9700 14347359.0600 13164481.3700 15566043.6600 14554931.3600 18027363.3100 5833456.0230 7418884.6000 5927510.5490 5570640.1530 2482296.7900 7446360.9290 5675906.1190 4873908.7470 7616000.8230 6180568.2340 12024282.6600 9554219.4980 12378600.0600 6025060.3470 9025378.6310 5992493.0390 49537.5424 95520.8303 53445.5012 52508.8944 43828.0307 54420.8927 53926.5897 9691158.7900 8563582.8430 7888108.0840 7846369.2930 8179601.3760 7849150.8840 9004452.8750 11293078.2300 8863342.5290 8355521.8730 7897965.1120 7583208.4560 7545765.5030 7775531.2710 9078653.4850 5548410.5500 5231186.9130 6381986.7450 8386879.4740 6091783.8420 6862886.9740 5325593.9320 5978582.9960 4735658.0900 4258068.0100 2665167.4830 4192692.1180 7005262.2810 3994902.0070 5426017.6560 4765016.2620 7410152.0590 8759334.6000 8527487.4720 6466670.0630 8849623.2320 8638237.8250 7482043.3850 6557123.7800 Uridine-5-diphosphoacetylgalactosamine_[M-H]-_LFTYTUAZOPRMMI-NESSUJCYSA-N UDP-N-acetylgalactosamine 1789.1114 1258.0772 1050029.6460 1770160.9000 1790685.9340 1457345.7240 919171.7159 694644.2490 855145.4646 467213.6721 1500608.5660 1005143.0610 1855506.9630 1251860.9570 1339937.3810 1127333.6560 1328001.5210 2047032.4730 954178.4864 1205976.2230 1887743.1010 1365050.6250 185592.3844 334386.1374 605601.7453 268680.7913 417681.5628 999370.1735 645085.4378 393533.2446 532543.4072 362502.6684 830835.6116 939836.4345 1014.6585 609247.0137 596410.9836 630396.9984 505527.5810 633681.1033 715244.0323 654116.8918 520038.3922 501834.7794 535498.7819 404387.1748 314410.3642 253151.5406 281851.0144 341799.5515 91864.8872 80539.7371 300600.9312 168146.5554 345497.8778 542225.8738 309065.2993 212033.2502 250207.6521 189748.1502 95777.5145 122534.5794 505469.7141 153298.5128 456519.7806 192032.1464 460110.7253 541728.4642 364246.3089 289049.7464 663913.9407 816039.3484 596638.3648 762569.5646 Uridine 5^-monophosphate_[M-H]-_DJJCXFVJDGTHFX-XVFCMESISA-N UMP 139529.5348 181628.2202 89900.7245 104380.8236 149873.6292 285612.4410 256095.6643 132590.1132 155013.4316 93367.3997 91407.2290 125089.1338 156022.4862 49815.5249 97147.2820 79141.4194 153359.9602 209571.1093 80527.2053 180263.7579 135033.6180 454933.6789 459608.4790 200325.0429 169402.1762 175780.6283 161591.7945 234949.6983 349327.0267 214454.0312 143763.0629 121669.5884 6500.7143 5575.1160 1912.9174 4242.8855 8361.7302 14788.8137 74161.1261 87332.4921 77380.1263 78158.6010 90206.1546 97798.4927 83432.4530 19193.9183 9425.7816 9503.2056 14829.6799 9622.4118 4592.4679 20568.4367 54241.3767 17985.8466 7088.9218 13973.4766 17151.6939 15464.3982 4282.4459 13147.8978 4960.0178 7691.4311 12658.4867 7807.0921 8959.9019 15974.4734 14843.8740 7242.3107 4004.8265 14747.2935 10568.6376 1765.7114 2167.1443 11919.0444 Uridine diphosphate galactose_[M-H]-_HSCJRCZFDFQWRP-ABVWGUQPSA-N_Uridine diphosphate galactose_[M-H]-_HSCJRCZFDFQWRP-ABVWGUQPSA-N Uridine diphosphategalactose 2234.3328 2346.6956 77591.4902 674435.5138 433132.9193 560477.0602 239150.0208 182926.5707 207817.5519 159538.2492 458348.2369 120591.4910 597887.4438 294238.3071 330288.1917 266380.0215 321170.2203 513975.9512 215634.8900 333188.8323 524069.6912 299369.2037 76261.0344 71767.9693 124988.4284 65826.7146 146638.0809 247053.8021 181718.8371 113608.7871 128231.6848 78571.3262 224177.0909 238390.7014 1025.8292 178427.7399 168614.6771 169442.2660 162483.8733 187256.1529 196241.1496 208774.9389 209691.7055 208634.1573 244936.7238 76758.8118 143510.0104 122203.6488 173354.5520 130595.9664 49180.3130 4239.6544 120209.9130 62817.1222 121800.5388 162578.6030 106609.3298 75173.3249 117794.7777 105567.6151 79708.8293 66229.9263 183299.5112 71693.9243 182028.6180 79675.1680 242902.6412 214265.3196 174010.3450 29477.3822 310307.6728 335409.3851 259849.3273 296308.0577 Uridine diphosphate glucuronic acid_[M-H]-_HDYANYHVCAPMJV-LXQIFKJMSA-N UDP-glucuronic acid 1154.5464 17300.2502 44177.7260 29181.5118 32278.6338 5025.4552 31514.7984 34690.8754 16957.7255 22540.1399 25073.2042 29783.0963 26182.3015 20084.8314 27272.0265 15777.6947 20700.3003 32540.6067 16391.0715 4351.3627 2913.5653 2772.0356 12998.0985 13443.9114 1525.7996 1941.2259 2625.5514 16894.0055 31086.3495 1133.1226 796.5539 2022.6546 1262.0273 9208.6158 4085.9851 3285.6052 11571.8856 7205.5300 1532.5509 4721.9590 24651.6930 1617.1013 7397.2156 3985.4338 7361.9613 4609.6686 1785.9467 5121.4755 1328.4172 1552.7719 13301.1936 1371.6572 8395.4870 1993.9791 1665.5980 7411.8802 2987.9884 12336.3512 12233.3180 1460.9962 11267.8565 Xanthosine_[M-H]-_UBORTCNDUKBEOP-UUOKFMHZSA-N Xanthosine 12068.5969 11562.3896 3945.2620 4629.3823 6244.4138 17101.8528 254479.2386 227052.4447 204463.0511 206852.0623 47020.7350 123341.1063 183083.2569 41575.0613 260003.6420 239068.8312 273008.0835 309485.6232 246496.9449 299785.4616 245527.9449 41983.9087 132789.8970 208660.4985 178366.4679 173167.5046 48470.7724 16233.6326 23707.2905 154270.0061 173453.9465 11109.5544 176004.7227 43989.2005 30952.7940 160849.5713 241924.5662 126343.3947 2644.2692 1490.7671 2136.0989 11349.0659 12448.0842 165240.0345 171986.4273 178658.8661 179737.7704 197366.6815 6012.8410 3010.6537 155037.5363 118262.7950 97930.5289 114098.7627 158150.6070 222029.8336 150955.0604 192403.2195 202923.3919 2003.1563 174008.7421 2922.6765 71346.2116 3022.5313 56239.8915 57303.8756 128629.8577 61914.3213 119172.1476 221146.4303 201764.9698 186257.8528 147411.4822 2220.9171 209319.0197 Xylose_Gly-Val_[M-H]-_STKYPAFSDFAEPH-UHFFFAOYSA-N 1739409.6470 1374452.3560 1220574.9950 953412.2110 1357959.0050 1306736.2650 1480534.7870 581724.9471 525312.4026 473558.3273 600351.1121 494893.1037 377402.1853 500591.9037 348927.8992 456216.7279 645787.1263 520345.5018 443161.3438 579789.8274 599547.5123 620534.2203 974115.0872 300894.8362 380306.0454 432388.5205 314431.0542 218824.8859 269873.0776 273628.4932 163436.4332 178632.5342 406816.9764 218959.5035 225922.6367 323355.2179 215635.2003 355525.5805 281200.1088 9627.0438 44419.8414 20018.2343 7531.7436 10769.4624 7008.0057 5295.9301 499643.7982 355584.4270 350405.0867 305433.9860 334536.9761 339621.7982 355760.3343 365715.6431 656702.0813 547936.5831 285111.9744 238149.0498 213841.6750 218728.9288 430178.2294 128812.9365 149731.3949 164059.2549 94896.7809 191877.0382 322739.0655 190133.5260 163105.9631 275442.2283 192714.1269 119440.0753 174162.6172 256341.0385 127837.1288 219081.9513 121972.3586 511478.8413 320378.7222 281884.0916 184585.3640 358705.7800 499171.7600 383927.4699 282756.1020