Quant m/z Other ID Compound Ret. Index Spectra Kegg PubChem 140319ajlsa05_2 140319ajlsa03_2 140319ajlsa04_2 140318ajlsa41_3 140318ajlsa44_3 140318ajlsa34_4 140318ajlsa37_4 140318ajlsa49_3 140319ajlsa01_2 140318ajlsa47_3 140318ajlsa48_3 140317ajlsa23_1 140317ajlsa20_1 140317ajlsa28_1 140317ajlsa24_1 140317ajlsa11_1 140317ajlsa10_1 140317ajlsa18_1 140317ajlsa13_1 140317ajlsa42_1 140317ajlsa41_1 140317ajlsa50_1 140317ajlsa49_1 140317ajlsa32_1 140317ajlsa31_1 140317ajlsa38_1 140317ajlsa33_1 140318ajlsa13_1 140318ajlsa14_1 140318ajlsa16_1 140318ajlsa20_1 140318ajlsa01_2 140318ajlsa03_1 140318ajlsa06_1 140318ajlsa08_1 140318ajlsa30_1 140318ajlsa31_4 140318ajlsa32_4 140318ajlsa33_4 140318ajlsa21_1 140318ajlsa24_1 140318ajlsa27_1 140318ajlsa28_1 140317ajlsa08_1 140317ajlsa09_1 140317ajlsa01_1 140317ajlsa04_1 140317ajlsa27_1 140317ajlsa29_1 140317ajlsa25_1 140317ajlsa26_1 140317ajlsa21_1 140317ajlsa22_1 140317ajlsa17_1 140317ajlsa19_1 140317ajlsa14_1 140317ajlsa16_1 140317ajlsa07_1 140317ajlsa12_1 140317ajlsa05_1 140317ajlsa06_1 140317ajlsa02_1 140317ajlsa03_1 140318ajlsa39_4 140318ajlsa40_4 140318ajlsa42_3 140318ajlsa43_3 140318ajlsa45_3 140318ajlsa46_3 140318ajlsa50_3 140319ajlsa02_2 140318ajlsa12_1 140318ajlsa15_1 140318ajlsa17_1 140318ajlsa22_1 140318ajlsa25_1 140318ajlsa26_1 140318ajlsa29_1 140318ajlsa35_4 140317ajlsa48_1 140317ajlsa47_1 140318ajlsa04_1 140318ajlsa02_1 140318ajlsa09_1 140318ajlsa07_1 140318ajlsa11_1 140318ajlsa10_1 140317ajlsa34_1 140317ajlsa30_1 140317ajlsa36_1 140317ajlsa43_1 140317ajlsa39_1 140317ajlsa46_1 140317ajlsa45_1 173 31632 xylulose NIST 553450 85:1861.0 86:702.0 87:1148.0 88:324.0 89:10095.0 90:1041.0 91:452.0 94:60.0 95:96.0 96:155.0 97:114.0 98:195.0 99:528.0 100:1225.0 101:2618.0 102:774.0 103:9082.0 104:930.0 106:381.0 108:16.0 109:127.0 110:14.0 111:327.0 112:10.0 113:567.0 114:3170.0 115:1092.0 116:1102.0 117:15978.0 118:1867.0 119:1700.0 120:3.0 125:55.0 126:826.0 128:264.0 129:1798.0 130:91.0 131:1527.0 132:491.0 133:5046.0 134:701.0 135:702.0 136:6.0 138:23.0 139:35.0 140:117.0 141:192.0 142:1927.0 143:502.0 144:243.0 145:139.0 147:24713.0 148:5028.0 149:2526.0 150:315.0 151:220.0 152:65.0 153:26.0 154:550.0 155:126.0 156:229.0 157:190.0 158:134.0 159:489.0 163:1175.0 164:44.0 165:68.0 166:65.0 167:36.0 168:213.0 169:140.0 170:31.0 171:1546.0 172:1120.0 173:8785.0 174:1555.0 175:664.0 176:105.0 177:250.0 178:554.0 179:28.0 180:36.0 181:14.0 183:52.0 184:333.0 185:51.0 186:216.0 187:29.0 188:320.0 189:626.0 190:179.0 191:151.0 192:102.0 193:67.0 194:3.0 196:14.0 198:154.0 199:323.0 200:305.0 201:773.0 202:842.0 203:501.0 204:973.0 205:9917.0 206:2401.0 207:662.0 208:84.0 210:108.0 211:29.0 212:18.0 214:161.0 216:100.0 218:34.0 220:4.0 221:172.0 222:37.0 226:43.0 228:1.0 229:573.0 230:121.0 231:97.0 232:499.0 233:91.0 235:27.0 236:10.0 240:52.0 241:22.0 242:171.0 244:64.0 246:28.0 248:11.0 255:29.0 256:9.0 257:221.0 258:12.0 259:66.0 260:85.0 261:68.0 262:334.0 263:3974.0 264:1269.0 265:391.0 266:19.0 269:40.0 270:19.0 271:7.0 274:9.0 280:44.0 281:11.0 282:48.0 285:7.0 286:20.0 287:19.0 288:212.0 289:27.0 290:6.0 296:8.0 299:16.0 300:38.0 301:44.0 302:122.0 305:16.0 311:18.0 317:43.0 318:72.0 325:6.0 329:4.0 332:1.0 333:198.0 334:153.0 335:141.0 336:141.0 338:1.0 343:10.0 345:15.0 348:2.0 351:57.0 356:19.0 358:19.0 360:171.0 361:16.0 364:291.0 365:143.0 366:142.0 367:13.0 368:1.0 373:12.0 374:13.0 375:137.0 377:47.0 378:3.0 380:8.0 387:36.0 390:6.0 392:8.0 395:5.0 396:4.0 397:13.0 402:6.0 411:4.0 413:6.0 418:4.0 421:16.0 425:2.0 429:12.0 431:12.0 432:6.0 436:31.0 441:7.0 444:20.0 452:45.0 453:79.0 454:20.0 467:33.0 468:1.0 477:3.0 483:5.0 484:29.0 489:2.0 490:24.0 495:4.0 500:2.0 C00312 439205 1290 1231 1768 1840 1346 1094 830 1615 1208 966 691 1599 1675 1626 824 1952 1646 1647 1553 1220 1667 847 1131 764 1969 1838 1921 1070 837 2254 782 2338 2181 740 1066 605 1105 1379 1274 1598 2637 2038 990 643 671 726 1078 720 833 655 512 317 668 855 662 608 334 559 447 926 743 281 611 924 733 969 705 893 1480 1310 1146 894 1145 534 768 692 630 376 1163 761 578 644 951 593 561 476 672 1056 701 712 539 982 537 221 103 169 xylose 543267 86:77.0 87:118.0 89:838.0 90:80.0 91:46.0 94:19.0 96:63.0 98:48.0 99:37.0 100:186.0 101:192.0 102:469.0 103:7719.0 104:659.0 105:379.0 106:26.0 112:23.0 114:254.0 115:75.0 117:652.0 118:60.0 119:80.0 120:23.0 121:17.0 124:30.0 127:70.0 128:49.0 129:515.0 130:102.0 131:344.0 133:894.0 134:104.0 135:66.0 137:49.0 142:48.0 143:43.0 144:51.0 145:65.0 147:2699.0 148:283.0 149:250.0 151:31.0 155:21.0 158:31.0 160:567.0 161:97.0 163:88.0 165:32.0 167:13.0 168:66.0 169:21.0 170:22.0 172:28.0 174:40.0 175:84.0 177:32.0 186:30.0 189:592.0 190:92.0 191:136.0 192:37.0 204:193.0 205:153.0 206:45.0 216:30.0 217:2261.0 218:416.0 219:145.0 221:41.0 232:19.0 233:86.0 234:53.0 259:39.0 262:45.0 263:19.0 277:127.0 278:31.0 280:13.0 306:12.0 307:531.0 308:161.0 309:44.0 319:27.0 320:22.0 322:17.0 323:30.0 333:14.0 339:12.0 343:39.0 345:16.0 360:15.0 367:17.0 368:19.0 378:21.0 383:16.0 387:17.0 389:16.0 396:18.0 411:17.0 430:14.0 432:13.0 477:18.0 487:15.0 488:20.0 490:30.0 497:21.0 C00181 135191 11871 9684 15327 13213 18413 10643 14520 14248 9938 7577 15383 8009 12293 9406 15712 11716 8836 9479 10229 13440 8099 13068 17534 9161 10796 10421 12645 12894 11462 13139 13512 12099 14421 9128 14401 11255 9482 10290 12848 10855 12522 12981 14583 11934 9499 10314 10375 11984 11532 9816 6980 10667 8060 10073 11752 7443 8773 7874 9270 13497 9223 6339 11408 6754 6282 5171 9244 8948 19427 38915 8630 12516 11660 8809 20429 10915 8983 8758 9739 8861 9750 11990 15194 11084 9606 11041 10425 16894 9221 13922 7947 9208 7127 12732 217 5857 xylitol 567437 85:22.0 87:53.0 88:95.0 89:312.0 94:15.0 99:38.0 101:376.0 103:3875.0 104:345.0 105:78.0 107:25.0 108:24.0 110:68.0 113:18.0 115:63.0 116:117.0 117:1418.0 118:103.0 119:73.0 129:1604.0 130:163.0 131:367.0 132:26.0 133:712.0 135:29.0 142:33.0 143:88.0 147:3295.0 148:560.0 149:319.0 155:12.0 157:214.0 159:20.0 163:58.0 169:22.0 171:40.0 175:99.0 182:58.0 189:476.0 190:74.0 191:333.0 192:19.0 193:15.0 203:146.0 204:368.0 205:1143.0 206:235.0 207:58.0 208:31.0 213:9.0 217:3381.0 218:764.0 219:285.0 220:63.0 221:24.0 222:29.0 229:15.0 230:5.0 243:159.0 244:12.0 254:42.0 273:1.0 277:63.0 278:38.0 279:15.0 284:7.0 288:7.0 290:3.0 291:26.0 295:20.0 307:483.0 308:139.0 309:50.0 310:29.0 317:31.0 318:23.0 319:361.0 320:75.0 332:39.0 340:1.0 366:24.0 418:5.0 423:1.0 424:12.0 449:5.0 456:24.0 465:15.0 467:3.0 472:7.0 499:3.0 C00379 6912 1500 1195 1605 1918 2014 1052 1610 1657 1212 824 1430 857 850 810 1229 817 1187 1370 1178 920 786 1165 1966 720 739 896 953 1453 1604 1171 791 1411 1030 674 1203 1186 1208 1193 1288 1840 1006 811 798 854 749 905 700 826 642 751 640 593 1121 934 1274 740 651 896 691 791 800 589 838 842 845 1001 1528 1348 1733 2555 1133 1034 766 872 1614 888 1649 1210 1281 645 712 792 3729 841 677 1089 752 1039 1547 1773 1543 966 571 1001 353 1669 xanthine 701688 85:2517.0 86:3710.0 87:2079.0 88:382.0 89:398.0 90:80.0 91:121.0 92:294.0 93:389.0 94:217.0 95:887.0 96:502.0 97:447.0 98:2556.0 99:3280.0 100:20394.0 101:2912.0 102:1806.0 103:2337.0 104:350.0 105:1446.0 106:113.0 107:15.0 108:151.0 109:225.0 110:796.0 111:2460.0 112:928.0 113:1375.0 114:1007.0 115:2460.0 116:1524.0 117:4430.0 118:716.0 119:955.0 120:203.0 121:149.0 122:214.0 123:385.0 124:753.0 125:1299.0 126:927.0 127:713.0 128:2133.0 129:570.0 130:2669.0 131:17683.0 132:4507.0 133:9141.0 134:902.0 135:654.0 136:317.0 137:441.0 138:525.0 139:911.0 140:685.0 141:1032.0 142:1839.0 143:1189.0 144:1769.0 145:616.0 146:309.0 147:84747.0 148:13824.0 149:7320.0 150:878.0 151:744.0 152:820.0 153:846.0 154:569.0 155:716.0 156:1197.0 157:2430.0 158:11345.0 159:2439.0 160:1405.0 161:291.0 162:120.0 163:70.0 164:555.0 165:318.0 166:708.0 167:738.0 168:653.0 169:1526.0 170:892.0 171:1982.0 172:2044.0 173:1365.0 174:2816.0 175:583.0 176:255.0 177:155.0 178:451.0 179:306.0 180:690.0 181:1323.0 182:625.0 183:1021.0 184:830.0 185:665.0 186:246.0 187:124.0 188:314.0 189:201.0 190:113.0 191:118.0 192:172.0 193:266.0 194:461.0 195:394.0 196:455.0 197:832.0 198:817.0 199:334.0 200:215.0 201:63.0 202:47.0 203:31.0 204:167.0 205:787.0 206:1099.0 207:789.0 208:613.0 209:498.0 210:743.0 211:589.0 212:251.0 213:64.0 214:219.0 215:112.0 216:56.0 217:96.0 218:145.0 219:194.0 220:462.0 221:1323.0 222:1301.0 223:1229.0 224:983.0 225:547.0 226:281.0 227:208.0 228:106.0 229:77.0 230:44.0 231:56.0 232:97.0 233:15.0 234:67.0 235:410.0 236:1550.0 237:1053.0 238:5251.0 239:1475.0 240:674.0 241:319.0 242:103.0 244:3.0 245:53.0 246:38.0 247:136.0 248:12.0 249:383.0 250:326.0 251:653.0 252:1364.0 253:811.0 254:591.0 255:251.0 256:306.0 257:108.0 259:8.0 260:48.0 261:54.0 262:56.0 263:1232.0 264:341.0 265:5889.0 266:1421.0 267:607.0 268:486.0 269:755.0 270:251.0 271:181.0 272:93.0 273:51.0 274:67.0 275:14.0 276:24.0 277:437.0 278:4264.0 279:13335.0 280:4864.0 281:3735.0 282:997.0 283:538.0 284:211.0 285:94.0 286:59.0 287:83.0 288:27.0 289:9.0 290:7.0 291:44.0 292:36.0 293:652.0 294:16947.0 295:7531.0 296:3125.0 297:797.0 298:263.0 299:77.0 300:79.0 302:54.0 304:6.0 308:30.0 309:152.0 310:369.0 311:818.0 312:371.0 313:142.0 314:55.0 316:18.0 317:35.0 319:21.0 320:37.0 321:12.0 322:49.0 323:114.0 324:148.0 325:192.0 326:1336.0 327:810.0 328:304.0 329:95.0 330:58.0 332:23.0 334:35.0 335:26.0 336:37.0 337:1290.0 338:593.0 339:377.0 340:221.0 341:145.0 342:29.0 343:35.0 347:26.0 348:24.0 349:19.0 350:13.0 351:242.0 352:1176.0 353:49940.0 354:17591.0 355:8417.0 356:1768.0 357:564.0 358:92.0 359:65.0 360:46.0 361:93.0 362:121.0 363:132.0 364:132.0 366:36.0 367:1739.0 368:18993.0 369:6547.0 370:3076.0 371:677.0 372:202.0 373:42.0 374:31.0 377:12.0 378:2.0 385:7.0 388:43.0 390:48.0 391:36.0 393:14.0 398:1.0 403:4.0 404:9.0 406:32.0 409:21.0 422:6.0 424:5.0 425:35.0 437:29.0 438:5.0 439:16.0 455:12.0 457:3.0 459:12.0 471:6.0 476:11.0 487:21.0 493:16.0 496:21.0 500:29.0 C00385 1188 563 310 818 120 240 174 683 193 323 281 600 205 694 294 779 289 393 802 569 374 256 524 508 495 462 362 602 283 344 648 710 158 751 525 612 345 387 388 693 266 454 150 273 434 272 650 611 612 456 345 508 507 330 522 504 340 451 302 409 688 286 346 447 596 212 231 361 300 526 306 325 797 331 327 435 651 480 279 360 368 650 266 115 366 281 267 441 59 305 284 241 433 249 517 144 3 valine 313502 85:2124.0 86:7630.0 87:1944.0 88:1239.0 89:198.0 90:140.0 92:81.0 94:103.0 95:66.0 96:941.0 97:782.0 98:2720.0 99:1558.0 100:41058.0 101:6555.0 102:3952.0 103:6374.0 104:899.0 105:633.0 110:1390.0 111:263.0 112:2218.0 113:1055.0 114:6510.0 115:2943.0 116:1153.0 117:4102.0 118:1273.0 119:1387.0 120:34.0 121:95.0 122:89.0 123:66.0 124:112.0 125:82.0 126:230.0 128:5308.0 129:3668.0 130:4722.0 131:5210.0 132:8091.0 133:9781.0 134:1607.0 135:73.0 139:40.0 140:117.0 141:133.0 142:2087.0 143:1279.0 144:224917.0 145:29590.0 146:11099.0 147:45446.0 148:7550.0 149:4466.0 150:414.0 155:26.0 156:4524.0 157:783.0 158:944.0 159:1039.0 160:998.0 161:282.0 162:98.0 163:804.0 164:39.0 165:79.0 166:20.0 167:15.0 170:15.0 171:60.0 172:145.0 173:89.0 174:897.0 175:278.0 180:20.0 186:53.0 188:101.0 195:23.0 200:29.0 201:57.0 202:231.0 203:1515.0 204:150.0 205:131.0 212:25.0 214:41.0 215:32.0 216:75.0 218:30778.0 219:7053.0 220:2659.0 221:383.0 222:79.0 224:11.0 227:21.0 228:488.0 240:23.0 246:1200.0 247:282.0 248:110.0 260:54.0 261:24.0 270:21.0 273:18.0 274:30.0 289:16.0 299:18.0 306:21.0 318:28.0 347:15.0 354:36.0 359:23.0 360:23.0 363:25.0 364:19.0 366:27.0 368:18.0 375:23.0 385:25.0 390:17.0 391:26.0 403:18.0 408:28.0 424:15.0 448:14.0 454:21.0 459:17.0 474:16.0 482:20.0 486:21.0 496:31.0 C00183 6287 44483 42136 40736 43466 74429 33910 19922 28562 69967 32128 28544 51104 44746 46840 58070 34458 51096 33651 56372 35858 68457 45844 58170 41250 69787 24702 45053 31254 26120 34611 42630 43721 35352 57596 47206 53524 42034 44627 26614 48481 46611 44571 45471 39848 52410 36177 42967 28362 29789 36268 36711 39873 35619 28624 36948 34595 25607 29672 37142 19536 49101 77454 24173 39014 21791 49270 41069 43709 38804 46131 44117 19567 30715 41767 32377 37270 27168 61012 41444 29439 42593 40826 28086 32810 48355 38565 13863 30677 31149 36372 33215 46731 44747 30775 224 4705 uridine 856709 85:3400.0 86:2032.0 87:2033.0 88:833.0 89:4255.0 90:331.0 91:52.0 92:133.0 93:460.0 94:986.0 95:954.0 96:3055.0 97:2191.0 98:2262.0 99:22400.0 100:12813.0 101:9196.0 102:3886.0 103:26772.0 104:2353.0 105:1631.0 106:284.0 107:23.0 108:453.0 109:659.0 110:906.0 111:2680.0 112:1258.0 113:6338.0 114:1321.0 115:5904.0 116:4089.0 117:10224.0 118:1211.0 119:1686.0 120:424.0 121:176.0 122:293.0 123:108.0 124:992.0 125:1154.0 126:4324.0 127:2505.0 128:1142.0 129:15966.0 130:3954.0 131:6736.0 132:2135.0 133:14295.0 134:2023.0 135:1746.0 136:280.0 137:264.0 138:827.0 139:482.0 140:3142.0 141:2240.0 142:2137.0 143:9234.0 144:1590.0 145:4290.0 146:494.0 147:48291.0 148:10617.0 149:7293.0 150:1371.0 151:601.0 152:461.0 153:5138.0 154:2231.0 155:2309.0 156:1455.0 157:3027.0 158:831.0 159:1372.0 160:229.0 161:391.0 162:94.0 163:1397.0 164:274.0 165:155.0 166:373.0 167:5125.0 168:6221.0 169:36539.0 170:5888.0 171:3995.0 172:596.0 173:1122.0 174:1026.0 175:781.0 176:183.0 177:845.0 178:211.0 179:252.0 180:229.0 181:531.0 182:608.0 183:3615.0 184:1480.0 185:7177.0 186:1090.0 187:8.0 188:107.0 189:2009.0 190:535.0 191:5454.0 192:1177.0 193:947.0 194:265.0 195:756.0 196:7434.0 197:1846.0 198:650.0 199:341.0 200:147.0 201:660.0 202:293.0 203:1696.0 204:2026.0 205:562.0 206:317.0 207:516.0 208:331.0 209:1143.0 210:533.0 211:703.0 212:301.0 213:729.0 214:225.0 215:3775.0 216:1121.0 217:49747.0 218:13727.0 219:5455.0 220:1201.0 221:681.0 222:160.0 223:291.0 224:20914.0 225:4019.0 226:1397.0 227:571.0 228:174.0 229:888.0 230:3538.0 231:1932.0 232:557.0 233:181.0 234:65.0 235:136.0 236:170.0 237:217.0 238:245.0 239:541.0 240:241.0 241:15787.0 242:3691.0 243:23273.0 244:5655.0 245:25912.0 246:5999.0 247:2562.0 248:500.0 249:73.0 250:62.0 251:121.0 252:23.0 253:130.0 254:47.0 255:2259.0 256:1451.0 257:16067.0 258:20125.0 259:11132.0 260:3154.0 261:1192.0 262:260.0 263:764.0 264:129.0 265:383.0 267:241.0 269:319.0 270:314.0 271:285.0 272:67.0 273:36.0 274:89.0 275:36.0 276:26.0 277:5.0 278:22.0 280:6.0 282:80.0 283:870.0 284:329.0 285:1402.0 286:1379.0 287:501.0 288:210.0 289:62.0 290:48.0 291:136.0 292:15.0 293:49.0 294:17.0 295:97.0 296:9.0 297:195.0 298:183.0 299:1529.0 300:487.0 301:185.0 302:74.0 303:94.0 304:60.0 305:149.0 306:68.0 307:44.0 309:60.0 310:135.0 311:1114.0 312:379.0 313:959.0 314:1873.0 315:7706.0 316:2080.0 317:1023.0 318:243.0 319:422.0 320:80.0 321:60.0 322:7.0 323:419.0 324:192.0 325:68.0 326:147.0 327:92.0 328:5.0 329:199.0 330:241.0 331:118.0 332:87.0 333:249.0 334:10.0 335:14.0 337:263.0 338:66.0 339:493.0 340:127.0 341:137.0 343:16.0 344:20.0 345:1.0 347:47.0 348:2605.0 349:977.0 350:476.0 351:135.0 352:230.0 353:105.0 355:75.0 356:28.0 357:20.0 358:3.0 359:85.0 361:102.0 362:16.0 363:20.0 367:15.0 368:6.0 369:316.0 370:183.0 371:684.0 372:355.0 373:90.0 374:11.0 384:47.0 386:275.0 387:666.0 388:234.0 389:93.0 392:6.0 396:1.0 398:9.0 400:76.0 401:176.0 402:54.0 403:14.0 409:20.0 414:181.0 415:117.0 416:21.0 417:5.0 427:95.0 428:59.0 429:202.0 430:73.0 431:85.0 434:1.0 442:218.0 443:133.0 444:17.0 445:63.0 446:22.0 460:16.0 462:7.0 474:1.0 484:1.0 489:2.0 490:7.0 500:1.0 C00299 6029 59 65 110 135 68 100 107 74 62 119 128 83 119 103 32 89 112 122 114 77 138 75 52 129 101 147 128 132 120 69 74 133 135 82 94 72 76 132 153 126 117 71 83 124 114 164 102 151 95 100 88 141 147 97 106 93 182 123 169 90 151 124 144 105 123 79 65 104 88 69 81 296 93 93 78 113 89 95 61 89 100 86 116 138 130 87 116 75 111 88 70 75 87 143 441 23 uric acid 730691 85:3006.0 86:5154.0 87:3017.0 88:706.0 89:685.0 91:208.0 92:147.0 93:161.0 94:85.0 95:336.0 96:306.0 97:450.0 98:2631.0 99:3540.0 100:32370.0 101:4842.0 102:2564.0 103:7632.0 104:909.0 105:1432.0 106:210.0 107:202.0 108:137.0 109:288.0 110:648.0 111:2136.0 112:611.0 113:1768.0 114:1646.0 115:2846.0 116:1906.0 117:4732.0 118:851.0 119:1234.0 120:212.0 121:150.0 122:111.0 123:193.0 124:531.0 125:1007.0 126:477.0 127:2119.0 128:1531.0 129:7588.0 130:4565.0 131:19581.0 132:4115.0 133:12725.0 134:1847.0 135:835.0 136:200.0 137:239.0 138:163.0 139:488.0 140:429.0 141:4257.0 142:1659.0 143:2837.0 144:1525.0 145:968.0 146:437.0 147:75237.0 148:11692.0 149:6445.0 150:708.0 151:565.0 152:422.0 153:429.0 154:424.0 155:1133.0 156:1317.0 157:2911.0 158:6123.0 159:1456.0 160:1629.0 161:605.0 162:245.0 163:143.0 164:134.0 165:151.0 166:164.0 167:635.0 168:736.0 169:1134.0 170:684.0 171:4443.0 172:6580.0 173:1792.0 174:4040.0 175:966.0 176:316.0 177:598.0 178:236.0 179:238.0 180:283.0 181:515.0 182:895.0 183:1008.0 184:1079.0 185:1067.0 186:411.0 187:280.0 188:1254.0 189:1532.0 190:937.0 191:7452.0 192:1440.0 193:840.0 194:218.0 195:694.0 196:382.0 197:808.0 198:996.0 199:2468.0 200:667.0 201:442.0 202:165.0 203:404.0 204:3918.0 205:1184.0 206:530.0 207:840.0 208:316.0 209:283.0 210:392.0 211:411.0 212:332.0 213:526.0 214:245.0 215:419.0 216:278.0 217:12551.0 218:2493.0 219:1206.0 220:284.0 221:1658.0 222:703.0 223:357.0 224:789.0 225:373.0 226:303.0 227:325.0 228:203.0 229:319.0 230:561.0 231:344.0 232:371.0 233:81.0 234:115.0 235:91.0 236:193.0 237:119.0 238:457.0 239:348.0 240:554.0 241:224.0 242:343.0 243:462.0 244:197.0 245:879.0 246:338.0 247:96.0 248:74.0 249:74.0 250:139.0 251:369.0 252:888.0 253:568.0 254:484.0 255:257.0 256:227.0 257:179.0 258:135.0 259:142.0 260:24.0 261:79.0 262:77.0 263:114.0 264:63.0 265:1882.0 266:690.0 267:832.0 268:357.0 269:307.0 270:203.0 271:198.0 272:122.0 273:141.0 274:51.0 275:69.0 276:112.0 277:240.0 278:209.0 279:733.0 280:380.0 281:309.0 282:222.0 283:217.0 284:262.0 285:155.0 286:143.0 288:59.0 289:80.0 290:94.0 291:908.0 292:366.0 293:810.0 294:1001.0 295:780.0 296:418.0 297:250.0 298:188.0 299:178.0 300:26.0 301:81.0 303:60.0 304:247.0 305:6305.0 306:1969.0 307:1067.0 308:738.0 309:446.0 310:543.0 311:449.0 312:302.0 313:128.0 314:194.0 315:110.0 316:89.0 317:201.0 318:3276.0 319:1370.0 320:578.0 321:219.0 322:61.0 323:166.0 324:410.0 325:443.0 326:1647.0 327:689.0 328:791.0 329:204.0 330:147.0 331:127.0 332:75.0 333:54.0 335:80.0 336:78.0 337:173.0 338:177.0 339:258.0 340:276.0 341:459.0 342:275.0 343:308.0 344:126.0 345:70.0 346:75.0 347:66.0 348:41.0 349:61.0 350:112.0 351:861.0 352:600.0 353:3664.0 354:1270.0 355:660.0 356:210.0 357:90.0 358:48.0 359:79.0 360:63.0 361:49.0 362:49.0 363:76.0 364:29.0 365:256.0 366:1113.0 367:8086.0 368:4869.0 369:2615.0 370:888.0 371:308.0 372:97.0 373:81.0 374:108.0 375:122.0 376:105.0 377:116.0 378:114.0 379:134.0 380:101.0 381:667.0 382:10168.0 383:5276.0 384:2459.0 385:812.0 386:279.0 387:107.0 388:65.0 391:32.0 392:36.0 393:226.0 394:130.0 395:97.0 396:65.0 397:62.0 398:72.0 399:119.0 400:127.0 401:114.0 402:87.0 403:47.0 404:56.0 405:28.0 406:50.0 407:53.0 408:68.0 409:93.0 410:42.0 411:124.0 413:134.0 414:130.0 415:109.0 416:103.0 417:121.0 418:85.0 419:123.0 420:104.0 422:80.0 423:81.0 424:104.0 425:376.0 426:193.0 427:198.0 428:82.0 429:98.0 430:80.0 431:88.0 432:402.0 433:366.0 434:245.0 435:139.0 436:83.0 437:56.0 438:112.0 439:288.0 440:3348.0 441:27585.0 442:14448.0 443:7230.0 444:2205.0 445:583.0 446:193.0 447:149.0 448:107.0 449:182.0 450:151.0 451:147.0 452:121.0 453:79.0 454:272.0 455:2957.0 456:18535.0 457:9579.0 458:4552.0 459:1391.0 460:431.0 461:127.0 463:37.0 470:17.0 474:34.0 476:29.0 478:32.0 480:20.0 482:51.0 485:21.0 488:38.0 490:17.0 493:20.0 495:31.0 497:14.0 499:29.0 C00366 1175 11049 5661 6666 6479 7168 2417 6759 9097 7639 2557 7871 3600 5882 2629 7255 2085 4320 4824 2659 2875 2858 4802 7229 6006 6330 1669 3227 2357 2184 4768 4163 1168 5524 9100 7047 6737 7097 4387 4671 2966 2743 3256 2392 5797 1467 3716 8256 13529 3114 4508 9065 5579 2871 2424 4470 2603 6153 2580 5415 6139 2917 5465 5722 7315 3033 4297 11365 3879 5044 7783 2495 4860 1938 4640 4292 3918 3359 4214 7060 3716 6607 2866 2708 4257 5061 2331 5654 2262 4711 2343 4581 6533 6303 4386 189 441 urea 328888 85:42530.0 86:38811.0 87:110384.0 88:17717.0 89:8931.0 90:7871.0 91:3005.0 92:1045.0 93:951.0 94:268.0 95:940.0 96:6840.0 97:11155.0 98:9608.0 99:343261.0 100:185876.0 101:58717.0 102:29857.0 103:25687.0 104:5464.0 105:10123.0 106:1223.0 107:2582.0 108:1135.0 109:22.0 110:3558.0 111:25902.0 112:4992.0 113:24277.0 114:34347.0 115:41196.0 116:28689.0 117:32772.0 118:9123.0 119:4609.0 120:30.0 121:540.0 122:265.0 123:493.0 124:520.0 125:1768.0 126:4244.0 127:4703.0 128:4169.0 129:3526.0 130:106062.0 131:84408.0 132:60937.0 133:38750.0 134:13531.0 135:958.0 136:588.0 137:494.0 138:885.0 139:5100.0 141:15621.0 142:2105.0 143:4943.0 144:661.0 145:259.0 146:80978.0 147:1093291.0 148:189610.0 149:83587.0 150:5716.0 151:899.0 152:73.0 155:20624.0 156:4982.0 157:22323.0 158:3062.0 159:1945.0 160:484.0 161:71.0 163:367.0 164:163.0 165:53.0 166:46.0 167:205.0 168:213.0 169:499.0 170:1167.0 171:745281.0 172:131202.0 173:112262.0 174:16464.0 175:5569.0 176:226.0 177:268.0 178:528.0 179:71.0 180:61.0 181:181.0 182:266.0 183:10.0 184:2952.0 185:1075.0 186:35239.0 187:6327.0 188:4325.0 189:452078.0 190:76637.0 191:37414.0 192:3634.0 193:787.0 195:54.0 196:76.0 197:166.0 198:130.0 199:704.0 200:580.0 204:15295.0 205:2693.0 206:1110.0 207:400.0 209:1332.0 210:146.0 211:1242.0 212:165.0 213:63.0 214:15.0 216:28.0 217:41.0 224:57.0 225:31.0 229:74.0 234:44.0 235:69.0 236:46.0 245:773.0 246:297.0 247:152.0 249:61.0 257:238.0 258:83.0 259:18.0 261:478.0 262:162.0 263:122.0 264:60.0 265:30.0 266:73.0 268:27.0 271:67.0 276:201.0 279:75.0 281:122.0 282:41.0 286:62.0 287:68.0 288:70.0 290:60.0 291:54.0 292:62.0 293:7.0 295:56.0 296:60.0 298:63.0 299:106.0 300:37.0 301:89.0 306:67.0 310:82.0 311:10.0 312:66.0 313:26.0 314:80.0 315:48.0 316:22.0 319:53.0 323:69.0 325:86.0 326:60.0 328:68.0 331:104.0 334:57.0 338:54.0 339:83.0 341:85.0 343:7.0 344:74.0 347:57.0 348:9.0 349:61.0 350:15.0 351:50.0 352:59.0 355:78.0 356:75.0 358:78.0 359:101.0 361:63.0 363:59.0 364:60.0 365:42.0 380:72.0 382:89.0 384:39.0 387:73.0 389:50.0 390:64.0 392:74.0 393:49.0 394:74.0 401:83.0 402:57.0 405:44.0 418:67.0 419:21.0 420:65.0 422:67.0 423:66.0 424:60.0 426:91.0 434:77.0 439:23.0 442:78.0 443:17.0 448:92.0 449:44.0 450:22.0 452:42.0 454:73.0 455:20.0 460:59.0 465:52.0 479:56.0 480:18.0 486:35.0 487:32.0 492:20.0 496:19.0 497:61.0 498:48.0 499:61.0 C00086 1176 445682 393882 415438 868042 263742 787376 1104526 1713189 418915 259369 1225725 647887 758250 554619 113086 776815 309575 201526 483897 784439 247835 335798 566591 866762 720578 466807 774737 611884 629961 500313 729717 47236 196049 448914 337512 372248 581087 405557 1117351 342798 443229 839806 464898 786500 898818 839205 899167 671928 656011 784945 493912 311214 604007 451840 376929 649421 745680 833711 425407 566482 517149 920888 433323 305111 828154 348104 282260 194197 286547 432625 885073 87468 378421 381079 822407 373354 549213 715518 118842 663295 353610 421372 221879 377221 446699 686309 392178 632574 613234 868020 380888 236579 318294 755126 241 1664 uracil 385735 85:23877.0 86:6864.0 87:3486.0 88:1560.0 89:1505.0 91:506.0 92:1505.0 94:764.0 95:4144.0 96:5848.0 97:5576.0 98:15495.0 99:393975.0 100:73814.0 101:20186.0 102:4727.0 103:6833.0 104:172.0 105:13750.0 106:1345.0 107:925.0 108:1437.0 109:10645.0 110:283.0 111:5609.0 112:2648.0 113:93747.0 114:5531.0 115:7598.0 116:2368.0 117:12999.0 118:2279.0 119:775.0 120:2223.0 122:686.0 123:297.0 124:2309.0 125:971.0 126:96222.0 127:13714.0 128:5451.0 129:2788.0 130:3939.0 131:33059.0 132:5690.0 133:18339.0 135:366.0 137:864.0 138:343.0 139:1665.0 140:2521.0 141:2370.0 142:2334.0 143:1476.0 144:1706.0 145:304.0 146:1049.0 147:252735.0 148:32857.0 149:14766.0 150:1778.0 151:18.0 152:369.0 153:5915.0 154:824.0 155:695.0 156:3746.0 157:6363.0 158:6364.0 159:1198.0 160:739.0 161:753.0 162:172.0 163:268.0 166:2358.0 167:4506.0 168:1438.0 169:7714.0 170:878.0 171:1030.0 172:1931.0 174:2587.0 175:677.0 176:59.0 178:578.0 180:688.0 181:2139.0 182:1820.0 183:6219.0 185:7086.0 186:25.0 187:1541.0 188:44.0 189:56.0 190:42.0 193:469.0 194:368.0 195:569.0 196:220.0 197:1311.0 198:1059.0 199:1694.0 200:285.0 202:118.0 204:525.0 208:197.0 210:120.0 211:1533.0 212:1996.0 213:1135.0 214:112.0 215:152.0 216:1.0 223:363.0 224:68.0 225:2995.0 226:616.0 227:523.0 230:77.0 232:5.0 239:9407.0 240:2558.0 241:213550.0 242:40343.0 243:15350.0 244:2774.0 245:264.0 246:51.0 247:101.0 248:214.0 251:74.0 253:391.0 254:263.0 255:105159.0 256:84474.0 257:23160.0 258:7429.0 259:1088.0 260:33.0 261:33.0 262:103.0 280:113.0 285:511.0 288:17.0 299:81.0 300:490.0 312:217.0 345:56.0 405:62.0 419:77.0 421:15.0 445:98.0 460:62.0 490:5.0 499:21.0 C00106 1174 307 145 296 436 227 363 349 376 128 443 282 160 403 431 178 176 303 270 382 186 265 182 125 241 124 275 232 118 155 132 184 217 269 158 341 326 104 213 289 128 252 295 280 195 242 164 146 347 467 275 368 204 134 304 306 347 295 235 305 32 162 128 135 290 290 189 281 243 549 276 211 170 248 259 182 153 212 287 195 312 371 473 143 421 358 100 443 350 629 349 307 282 348 357 218 16 tyrosine 671252 85:101.0 86:1059.0 87:458.0 89:659.0 90:823.0 91:1849.0 92:215.0 93:210.0 94:46.0 95:258.0 97:226.0 100:19804.0 101:2641.0 102:1366.0 103:1633.0 104:401.0 105:1066.0 107:424.0 113:79.0 115:546.0 116:116.0 117:900.0 118:715.0 119:703.0 120:181.0 121:365.0 123:63.0 124:32.0 125:60.0 128:317.0 129:136.0 130:2787.0 131:1381.0 132:2378.0 133:2406.0 135:1073.0 136:172.0 137:139.0 138:33.0 143:94.0 144:252.0 145:158.0 146:529.0 147:10139.0 148:2430.0 149:2353.0 150:476.0 151:422.0 152:115.0 155:37.0 157:84.0 159:227.0 160:438.0 161:90.0 162:242.0 163:1331.0 164:643.0 165:825.0 166:96.0 169:32.0 172:179.0 174:587.0 175:359.0 176:348.0 177:396.0 178:202.0 179:5455.0 180:1140.0 181:342.0 182:138.0 185:45.0 187:17.0 188:124.0 189:122.0 190:402.0 191:190.0 192:1175.0 193:407.0 194:72.0 195:66.0 196:16.0 197:40.0 202:114.0 203:494.0 204:170.0 206:77.0 207:709.0 208:34.0 209:152.0 210:62.0 212:13.0 216:31.0 218:45967.0 219:8644.0 220:3534.0 221:583.0 222:132.0 223:194.0 227:27.0 233:17.0 234:99.0 235:57.0 237:39.0 243:15.0 245:27.0 249:65.0 250:37.0 252:41.0 254:38.0 257:12.0 259:17.0 261:29.0 263:25.0 264:89.0 265:437.0 266:152.0 270:23.0 274:34.0 278:11.0 279:159.0 280:3024.0 281:509.0 282:52.0 283:76.0 284:7.0 285:27.0 287:28.0 290:38.0 292:141.0 303:18.0 308:31.0 318:26.0 323:43.0 324:39.0 328:22.0 330:21.0 334:25.0 335:30.0 345:20.0 348:7.0 353:42.0 354:686.0 355:345.0 356:187.0 357:73.0 358:53.0 359:18.0 364:52.0 366:59.0 367:39.0 368:41.0 369:20.0 370:17.0 371:40.0 372:25.0 376:41.0 377:30.0 379:22.0 380:36.0 381:55.0 382:278.0 383:92.0 384:26.0 385:40.0 391:21.0 398:10.0 400:21.0 418:43.0 419:35.0 423:25.0 424:41.0 426:26.0 438:53.0 440:18.0 442:36.0 464:34.0 466:24.0 474:19.0 476:15.0 483:16.0 484:13.0 C00082 6057 32599 50624 58611 57986 64373 47003 60473 39699 43945 47951 35844 35059 30453 43974 45996 21160 35705 30544 33920 27978 26308 40437 48245 31211 57226 31515 34791 33756 13811 35500 36590 37022 32667 40785 43057 24170 54122 54741 60081 30544 31354 26890 39733 31807 48857 26810 24377 31089 37533 19661 32673 36324 29190 18221 33532 30249 21147 25043 29008 28876 40971 34854 25226 55041 35129 45714 49843 49442 52053 46877 32042 26062 40550 30966 28012 28007 20226 24901 45889 15595 25570 31937 30250 31577 31858 36608 30434 28079 27725 23408 33124 37208 32457 23472 202 14 tryptophan 780482 86:650.0 87:425.0 89:261.0 100:3562.0 101:1584.0 102:1611.0 103:773.0 104:190.0 113:59.0 114:89.0 115:489.0 118:184.0 119:183.0 127:218.0 130:2243.0 131:264.0 132:923.0 133:652.0 144:250.0 145:420.0 146:217.0 147:2097.0 148:245.0 149:212.0 154:44.0 156:266.0 157:161.0 158:212.0 159:339.0 160:439.0 161:112.0 162:7.0 170:343.0 171:149.0 172:244.0 173:187.0 174:182.0 175:114.0 177:48.0 182:53.0 183:28.0 184:219.0 186:457.0 187:53.0 188:390.0 189:222.0 190:515.0 191:181.0 198:133.0 199:225.0 200:1444.0 201:360.0 202:50950.0 203:10013.0 204:2891.0 205:325.0 206:74.0 215:80.0 218:1837.0 219:230.0 220:101.0 230:420.0 233:23.0 238:22.0 239:30.0 240:24.0 241:38.0 242:41.0 247:44.0 250:35.0 251:30.0 264:60.0 266:15.0 272:45.0 280:28.0 282:40.0 290:39.0 291:2652.0 292:727.0 293:366.0 294:18.0 296:23.0 302:20.0 303:194.0 304:23.0 322:37.0 332:33.0 338:45.0 340:22.0 342:26.0 348:42.0 350:28.0 351:27.0 357:27.0 364:22.0 365:15.0 367:18.0 371:17.0 377:107.0 378:56.0 394:26.0 400:29.0 405:86.0 406:64.0 419:24.0 424:18.0 429:27.0 433:18.0 438:28.0 442:26.0 449:17.0 451:25.0 459:35.0 465:14.0 494:23.0 495:13.0 496:19.0 500:23.0 C00078 6305 6812 5646 8756 3513 7352 4092 3906 3661 6413 4642 5604 5473 5407 4091 7188 2938 4254 4853 4669 3898 2729 8619 10052 4467 5983 3768 4724 3389 2014 4559 5761 2042 4751 7212 7510 4518 7022 4415 3573 4035 982 3229 4174 4361 3861 3033 3922 4743 4305 3337 4950 4454 2863 4535 5599 4762 4520 3626 2846 3466 3439 3350 2572 7273 2812 7241 4806 7230 3835 6099 4687 3088 2784 3577 2608 3033 3005 4134 4361 3320 5446 3756 2126 5493 4381 2838 4483 3828 5004 3152 5033 4100 4759 3813 158 43180 trans-4-hydroxyproline 460662 86:496.0 88:18.0 90:38.0 91:40.0 100:34.0 101:5.0 106:27.0 107:16.0 108:57.0 110:12.0 111:3.0 116:445.0 118:584.0 120:50.0 124:71.0 128:2.0 130:368.0 133:14.0 134:244.0 135:1.0 136:2.0 137:3.0 142:291.0 143:10.0 148:375.0 150:25.0 153:1.0 158:3885.0 159:532.0 160:154.0 170:138.0 171:41.0 180:2.0 181:4.0 183:3.0 184:35.0 185:30.0 186:36.0 195:2.0 199:2.0 212:1.0 213:2.0 225:8.0 237:2.0 239:1.0 241:1.0 246:9.0 250:45.0 253:1.0 254:65.0 256:4.0 257:1.0 260:170.0 261:11.0 270:1.0 285:2.0 291:8.0 303:5.0 319:4.0 320:1.0 339:10.0 352:4.0 362:1.0 364:3.0 370:1.0 377:3.0 379:6.0 382:27.0 388:1.0 394:15.0 397:13.0 422:23.0 440:16.0 447:14.0 448:2.0 452:7.0 454:3.0 464:7.0 468:3.0 469:9.0 478:4.0 481:6.0 495:6.0 496:13.0 C01157 5810 531 286 387 323 775 255 265 129 427 330 225 561 313 300 270 520 365 147 443 217 571 288 575 393 292 353 267 480 184 227 523 671 181 166 769 459 262 660 165 621 229 529 309 305 586 224 211 398 225 363 324 328 232 293 244 309 140 195 245 322 208 253 144 333 283 274 437 394 596 270 450 350 248 349 272 249 265 351 518 306 356 399 454 469 329 381 329 420 162 138 236 692 217 171 223 4545 tocopherol gamma- 1026121 85:7.0 86:92.0 88:26.0 91:52.0 94:33.0 95:97.0 97:79.0 99:8.0 104:48.0 105:82.0 107:5.0 109:87.0 111:9.0 112:41.0 119:199.0 120:6.0 121:33.0 123:9.0 124:39.0 125:5.0 128:3.0 134:117.0 135:2.0 137:39.0 139:30.0 140:62.0 142:25.0 145:87.0 147:25.0 148:47.0 149:122.0 151:89.0 152:36.0 156:203.0 157:48.0 161:33.0 163:63.0 164:25.0 165:36.0 166:24.0 167:21.0 171:4.0 172:8.0 173:43.0 174:147.0 175:27.0 176:8.0 177:14.0 178:30.0 179:180.0 183:20.0 184:43.0 185:8.0 186:16.0 188:15.0 189:40.0 190:7.0 192:28.0 194:170.0 195:110.0 197:1.0 200:32.0 203:45.0 205:51.0 206:46.0 207:187.0 208:118.0 209:131.0 210:79.0 214:5.0 217:19.0 219:60.0 220:1.0 221:118.0 222:1351.0 223:2422.0 224:724.0 225:157.0 228:34.0 230:30.0 233:23.0 235:7.0 236:18.0 237:94.0 238:11.0 241:4.0 242:27.0 245:14.0 247:35.0 248:12.0 249:5.0 250:37.0 251:32.0 253:7.0 255:12.0 256:29.0 258:5.0 259:11.0 261:86.0 263:255.0 264:12.0 265:25.0 267:21.0 272:6.0 277:20.0 280:7.0 282:99.0 283:9.0 291:8.0 294:15.0 295:27.0 296:18.0 303:10.0 304:6.0 308:4.0 309:44.0 316:5.0 321:15.0 325:38.0 327:56.0 349:2.0 354:8.0 355:23.0 356:23.0 359:15.0 366:10.0 368:6.0 369:31.0 374:34.0 376:13.0 380:5.0 387:2.0 388:22.0 392:13.0 395:16.0 396:7.0 399:5.0 401:22.0 403:9.0 416:23.0 418:16.0 419:3.0 421:27.0 425:13.0 429:14.0 434:19.0 437:1.0 441:4.0 459:23.0 461:25.0 465:1.0 467:3.0 468:8.0 472:8.0 474:5.0 475:3.0 479:1.0 486:11.0 487:31.0 488:682.0 489:512.0 490:156.0 491:54.0 C02483 92729 104 157 91 162 147 119 132 58 108 1079 111 179 149 149 92 123 136 154 120 346 306 244 91 112 124 153 99 188 127 106 83 217 104 95 96 87 111 194 186 223 167 146 157 86 145 126 61 71 130 121 98 149 138 103 136 171 100 123 99 143 110 112 82 139 158 114 134 66 99 106 130 55 103 145 94 162 117 113 140 118 85 134 165 117 177 101 108 103 120 120 146 146 176 85 237 100 tocopherol alpha- 1067809 85:207.0 87:84.0 88:72.0 91:780.0 92:83.0 93:140.0 94:40.0 95:435.0 97:218.0 99:100.0 103:358.0 105:440.0 106:76.0 107:223.0 108:54.0 109:243.0 110:64.0 111:199.0 112:52.0 113:56.0 115:104.0 116:123.0 117:293.0 119:705.0 120:82.0 121:197.0 129:158.0 131:400.0 134:108.0 135:351.0 136:189.0 141:89.0 145:154.0 147:430.0 149:213.0 159:143.0 161:190.0 162:65.0 163:233.0 164:77.0 174:64.0 175:152.0 177:175.0 178:150.0 179:135.0 187:130.0 188:82.0 189:159.0 191:142.0 193:493.0 194:161.0 197:35.0 199:33.0 204:38.0 205:199.0 206:104.0 208:676.0 209:334.0 212:19.0 216:56.0 219:104.0 220:108.0 221:766.0 222:220.0 223:549.0 224:131.0 225:56.0 226:34.0 231:78.0 233:136.0 234:136.0 235:155.0 236:4753.0 237:8656.0 238:1427.0 239:294.0 240:83.0 245:59.0 246:60.0 248:107.0 249:161.0 258:21.0 261:104.0 262:144.0 263:50.0 268:51.0 270:30.0 274:30.0 275:121.0 276:56.0 277:443.0 278:93.0 283:83.0 284:14.0 287:26.0 290:24.0 291:53.0 295:45.0 316:19.0 338:24.0 343:37.0 355:33.0 359:26.0 360:19.0 361:39.0 369:24.0 390:30.0 391:27.0 398:20.0 406:32.0 420:28.0 429:14.0 445:18.0 451:21.0 455:21.0 465:20.0 478:21.0 490:25.0 500:43.0 C00376 638015 106 78 99 106 100 98 144 59 101 174 80 175 125 118 72 134 109 115 204 129 121 106 56 114 85 252 97 133 115 100 106 116 83 66 108 101 72 128 111 150 157 96 142 74 131 97 71 48 128 135 67 129 160 81 112 127 79 125 146 109 113 222 108 327 120 106 76 106 123 62 159 107 71 91 60 101 146 101 98 98 120 152 105 108 139 92 119 78 116 127 114 94 194 139 255 1692 thymine 420133 85:666.0 86:403.0 87:19.0 88:154.0 89:59.0 93:39.0 95:146.0 96:167.0 97:1054.0 98:449.0 99:544.0 100:1474.0 101:116.0 102:23.0 105:17.0 106:562.0 107:491.0 108:82.0 109:39.0 110:831.0 111:563.0 112:311.0 113:8547.0 114:897.0 115:368.0 117:358.0 118:32.0 119:29.0 120:1384.0 121:49.0 123:97.0 124:39.0 125:126.0 126:53.0 127:157.0 129:12.0 130:638.0 131:1043.0 132:150.0 133:491.0 134:105.0 136:32.0 138:12.0 139:141.0 140:1749.0 141:240.0 142:107.0 143:162.0 144:100.0 147:5740.0 148:594.0 149:415.0 152:10.0 153:11.0 154:136.0 155:15.0 156:31.0 157:56.0 158:473.0 159:80.0 162:1.0 164:9.0 165:68.0 166:8.0 167:5.0 169:168.0 170:43.0 174:40.0 181:25.0 182:69.0 183:140.0 184:14.0 185:494.0 186:52.0 196:36.0 197:113.0 198:63.0 199:102.0 211:28.0 225:19.0 228:69.0 239:594.0 240:139.0 241:57.0 242:35.0 254:3.0 255:9015.0 256:2108.0 257:800.0 258:145.0 264:10.0 269:50.0 270:2470.0 271:527.0 272:190.0 274:6.0 275:15.0 287:8.0 297:2.0 301:14.0 303:21.0 312:7.0 328:24.0 332:12.0 335:6.0 338:35.0 341:11.0 349:7.0 363:15.0 368:1.0 391:11.0 396:8.0 410:14.0 413:7.0 434:6.0 442:16.0 452:7.0 455:8.0 458:10.0 465:43.0 467:21.0 494:23.0 495:14.0 499:2.0 C00178 1135 216 206 406 193 166 286 357 309 288 175 248 152 170 159 165 141 175 165 159 138 149 145 85 216 97 324 162 147 99 176 143 214 176 154 165 209 107 189 332 131 125 150 169 73 187 336 189 134 166 143 170 468 161 113 171 122 157 178 275 325 172 165 298 214 137 232 168 250 209 137 254 989 111 217 280 220 444 148 182 106 123 205 121 114 167 165 125 457 170 243 109 143 136 171 205 100335 threose 446119 85:643.0 86:454.0 87:302.0 88:248.0 89:4684.0 90:361.0 91:277.0 93:140.0 98:393.0 99:226.0 100:1945.0 101:1833.0 102:1097.0 103:6663.0 104:811.0 105:689.0 106:16.0 108:1.0 110:401.0 111:62.0 112:385.0 113:389.0 114:781.0 115:987.0 116:985.0 117:18244.0 118:1771.0 119:1243.0 120:172.0 124:5.0 126:375.0 127:582.0 128:218.0 129:1460.0 130:2840.0 131:2415.0 132:512.0 133:4276.0 134:1315.0 135:158.0 136:96.0 138:12.0 140:181.0 142:182.0 143:749.0 144:226.0 145:221.0 146:427.0 147:27563.0 148:3906.0 149:2629.0 150:149.0 151:470.0 152:24.0 154:59.0 155:109.0 156:261.0 158:277.0 159:17.0 160:346.0 161:4929.0 162:601.0 163:976.0 164:105.0 165:124.0 167:25.0 168:120.0 169:150.0 170:27.0 171:286.0 172:413.0 173:223.0 174:45.0 177:449.0 178:9.0 181:4.0 182:5.0 184:573.0 185:87.0 186:317.0 187:31.0 188:329.0 189:608.0 190:171.0 194:10.0 197:4.0 198:28.0 200:404.0 201:231.0 202:129.0 203:127.0 204:424.0 205:11484.0 206:1949.0 207:932.0 208:140.0 212:42.0 214:150.0 215:74.0 216:338.0 217:310.0 218:146.0 219:91.0 220:1.0 222:74.0 224:35.0 226:26.0 228:354.0 229:98.0 230:133.0 231:117.0 232:146.0 233:424.0 234:176.0 240:308.0 241:59.0 242:57.0 243:309.0 244:150.0 245:65.0 246:23.0 249:43.0 259:302.0 260:123.0 261:82.0 262:283.0 263:21.0 265:11.0 274:12.0 275:3.0 284:12.0 285:12.0 288:50.0 290:72.0 291:65.0 292:102.0 293:3.0 295:11.0 296:74.0 298:23.0 306:47.0 312:43.0 313:2.0 319:37.0 320:131.0 321:33.0 327:5.0 329:11.0 330:56.0 331:12.0 332:2.0 341:19.0 346:6.0 348:6.0 350:11.0 364:11.0 365:31.0 372:3.0 373:5.0 374:210.0 375:16.0 385:2.0 386:8.0 398:17.0 399:616.0 400:198.0 401:68.0 402:10.0 405:8.0 434:2.0 436:10.0 442:19.0 456:4.0 457:2.0 474:2.0 483:5.0 494:1.0 C06463 441031 287 239 539 365 286 523 315 322 423 107 322 655 933 638 792 518 613 561 398 674 424 724 1231 831 647 406 791 673 648 632 977 732 806 763 1340 664 426 342 196 708 549 681 663 541 174 428 599 520 556 501 543 484 401 412 600 438 580 321 484 246 357 300 671 334 228 185 184 145 290 230 212 668 346 484 514 469 537 461 466 409 458 446 240 499 479 513 571 624 455 488 421 678 387 647 218 26 threonine 409568 85:1692.0 86:5629.0 87:4799.0 88:907.0 89:613.0 90:123.0 91:125.0 93:55.0 94:68.0 96:272.0 97:242.0 98:1238.0 99:967.0 100:21870.0 101:36969.0 102:6991.0 103:4765.0 104:575.0 105:736.0 106:101.0 111:100.0 112:872.0 113:501.0 114:4912.0 115:4479.0 116:1288.0 117:46070.0 118:5398.0 119:3251.0 120:305.0 121:156.0 126:135.0 128:12161.0 129:12490.0 130:8064.0 131:8458.0 132:8775.0 133:10819.0 134:1884.0 135:880.0 136:136.0 139:19.0 140:219.0 142:282.0 143:216.0 144:1122.0 145:290.0 146:1109.0 147:24341.0 148:4301.0 149:2911.0 150:372.0 151:180.0 154:41.0 155:28.0 156:285.0 157:199.0 158:1106.0 159:1939.0 160:1612.0 161:499.0 162:204.0 163:461.0 164:114.0 165:79.0 166:33.0 167:26.0 170:26.0 171:56.0 172:607.0 173:183.0 174:977.0 175:243.0 176:357.0 177:812.0 178:131.0 179:83.0 180:28.0 181:24.0 186:646.0 187:138.0 188:490.0 189:246.0 190:286.0 191:748.0 192:106.0 193:88.0 195:40.0 199:17.0 200:99.0 201:76.0 202:3553.0 203:4276.0 204:1434.0 205:609.0 206:184.0 210:19.0 213:28.0 214:22.0 216:254.0 217:153.0 218:25039.0 219:23895.0 220:5558.0 221:2134.0 222:393.0 223:162.0 226:30.0 230:534.0 231:169.0 232:206.0 236:18.0 241:20.0 245:34.0 246:24.0 248:164.0 249:47.0 262:14.0 276:84.0 277:33.0 290:40.0 291:5038.0 292:3624.0 293:1318.0 294:374.0 295:33.0 296:46.0 317:13.0 319:22.0 320:510.0 321:149.0 322:69.0 325:24.0 326:13.0 370:15.0 402:19.0 435:21.0 439:18.0 444:16.0 445:15.0 452:17.0 458:22.0 474:14.0 C00188 6288 32718 31451 43869 34775 44003 24050 43256 31358 43176 26797 33591 37619 21258 30576 43336 20941 23669 22301 24415 18439 34258 40671 59617 25159 30090 25613 35773 31571 25749 29341 26043 26990 33414 30303 30358 23191 36065 40544 31461 23970 18226 23157 21270 25960 15607 28316 29087 28248 23573 22091 25042 20547 19185 24453 33143 36686 22222 18008 30348 20624 18967 22740 17500 25055 33859 35503 20571 24662 38423 23062 27877 25526 27093 24705 30519 26568 21101 33193 30117 29978 17499 21845 28334 23663 20951 24578 22896 34450 24125 19231 32494 26167 21895 24888 292 172 threonic acid 497572 86:78.0 87:500.0 88:136.0 89:1131.0 90:139.0 91:82.0 95:22.0 98:80.0 99:146.0 101:890.0 102:4177.0 103:5003.0 104:619.0 105:374.0 111:46.0 112:15.0 113:201.0 115:359.0 116:115.0 117:5872.0 118:496.0 119:430.0 121:39.0 128:64.0 129:1372.0 130:3055.0 131:1659.0 132:232.0 133:2893.0 134:460.0 135:237.0 136:30.0 141:29.0 143:619.0 144:80.0 145:104.0 147:16627.0 148:2848.0 149:2024.0 152:34.0 157:244.0 161:71.0 162:29.0 163:159.0 164:34.0 165:37.0 171:24.0 173:41.0 175:180.0 176:24.0 177:400.0 178:76.0 184:25.0 185:30.0 189:700.0 190:172.0 191:229.0 192:57.0 193:39.0 203:215.0 204:454.0 205:2260.0 206:388.0 207:395.0 208:72.0 209:29.0 214:15.0 217:2303.0 218:469.0 219:305.0 220:2310.0 221:932.0 222:293.0 223:98.0 224:18.0 229:33.0 231:44.0 234:15.0 242:24.0 243:17.0 245:385.0 246:72.0 254:22.0 265:16.0 277:34.0 279:33.0 281:18.0 290:15.0 291:317.0 292:2910.0 293:822.0 294:204.0 296:29.0 297:20.0 305:68.0 319:223.0 321:78.0 376:19.0 379:47.0 410:52.0 421:21.0 447:20.0 448:17.0 465:13.0 469:21.0 478:30.0 480:29.0 C01620 5460407 166586 138396 242421 172309 147617 82428 187759 157468 133463 115960 157060 126339 118171 140569 124768 99373 122388 110355 92125 138511 98044 194537 272465 115026 124211 109217 111196 143714 111615 174569 128077 143282 185937 139445 154314 155900 137156 134566 131754 64298 96736 82679 94366 160452 48088 128294 100186 173071 106226 108173 97479 100367 92328 117173 126149 80955 87190 92501 98182 100347 137589 75497 118165 126400 126715 81604 94144 106700 198241 146376 140082 170016 135199 121729 84599 124212 105525 74408 137846 86792 108934 118004 118965 117609 86393 107666 160298 160454 87376 121737 115194 138761 105857 96900 217 770 threitol 467595 85:123.0 86:39.0 87:235.0 88:92.0 89:794.0 91:41.0 92:65.0 93:48.0 94:22.0 97:38.0 101:1040.0 102:87.0 103:5119.0 104:409.0 105:302.0 106:38.0 112:26.0 113:47.0 114:17.0 115:225.0 116:875.0 117:3651.0 118:353.0 119:290.0 129:736.0 131:620.0 132:62.0 133:1389.0 134:137.0 135:41.0 143:141.0 145:31.0 147:6122.0 148:886.0 149:553.0 151:42.0 165:22.0 175:40.0 189:971.0 190:191.0 191:521.0 192:94.0 193:50.0 203:49.0 204:764.0 205:1338.0 206:227.0 207:116.0 217:3062.0 218:559.0 219:240.0 221:100.0 228:32.0 231:35.0 248:15.0 275:28.0 276:19.0 277:75.0 284:38.0 286:26.0 293:89.0 305:72.0 307:173.0 309:24.0 316:17.0 322:20.0 329:14.0 331:22.0 337:12.0 342:14.0 344:27.0 351:22.0 386:19.0 409:16.0 411:17.0 421:15.0 452:20.0 481:25.0 C16884 169019 4129 4437 5406 5110 8257 4817 4443 6820 3822 2311 6844 2787 4714 4210 5171 2954 4819 5167 3117 3780 2172 9277 4250 2808 2634 3023 3468 7412 3802 9510 3381 3561 4783 2030 3449 2412 4484 3622 8121 4624 5887 2389 2724 7343 3573 2544 3479 3100 2147 4154 1883 2985 1595 4521 2418 1620 1873 3700 2375 2745 2445 1564 4107 3191 2381 3376 3772 5680 4425 5741 4095 5669 4063 3637 4498 4400 6897 3806 5583 2354 2163 4708 3577 2819 2327 3976 2274 11273 2479 5050 1870 2862 1357 4161 271 173 sucrose 915139 85:319.0 87:314.0 88:197.0 89:406.0 91:85.0 92:24.0 94:41.0 97:89.0 99:203.0 100:65.0 101:688.0 102:331.0 103:8357.0 104:731.0 105:421.0 108:21.0 109:428.0 110:53.0 111:276.0 112:52.0 113:277.0 114:83.0 115:331.0 116:305.0 117:1934.0 118:199.0 119:119.0 122:42.0 124:17.0 125:110.0 127:383.0 128:152.0 129:5742.0 130:735.0 131:1008.0 132:97.0 133:1861.0 134:253.0 135:207.0 136:48.0 138:21.0 139:138.0 140:102.0 141:194.0 142:193.0 143:925.0 144:271.0 145:271.0 147:8307.0 148:1465.0 149:1065.0 150:111.0 151:89.0 153:177.0 155:783.0 156:91.0 157:923.0 158:111.0 159:110.0 161:83.0 163:184.0 164:57.0 167:39.0 168:16.0 169:4225.0 170:655.0 171:273.0 172:7.0 173:153.0 174:27.0 175:15.0 177:150.0 178:17.0 181:98.0 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59110 33294 66418 87984 73307 38633 70685 31467 55850 22515 42082 333 11214 saccharic acid 699211 85:376.0 86:223.0 87:56.0 89:377.0 90:30.0 91:59.0 93:137.0 94:112.0 95:140.0 99:663.0 100:177.0 101:426.0 102:1251.0 103:1710.0 104:173.0 105:104.0 106:11.0 108:89.0 110:106.0 111:181.0 112:63.0 113:312.0 114:10.0 115:253.0 116:35.0 117:1458.0 118:146.0 119:195.0 121:344.0 123:7.0 124:91.0 127:309.0 129:1394.0 130:600.0 131:1538.0 132:485.0 133:2043.0 134:499.0 135:122.0 138:17.0 139:23.0 140:81.0 141:149.0 143:3044.0 144:276.0 145:316.0 147:11913.0 148:1649.0 149:1383.0 150:224.0 151:65.0 152:26.0 155:42.0 156:105.0 157:300.0 158:37.0 159:125.0 160:188.0 161:43.0 163:36.0 168:44.0 169:105.0 171:1107.0 172:153.0 173:90.0 174:26.0 175:161.0 177:3.0 180:1.0 183:72.0 184:26.0 185:92.0 186:24.0 187:193.0 188:27.0 189:1990.0 190:418.0 191:701.0 192:53.0 196:40.0 198:32.0 199:106.0 201:154.0 203:24.0 205:736.0 206:83.0 207:329.0 208:19.0 211:75.0 212:45.0 213:56.0 214:86.0 215:292.0 216:80.0 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8398 7656 6950 7307 10311 12115 7522 8117 7941 4428 5299 345 4523 quinic acid 634900 87:107.0 91:114.0 92:3.0 93:26.0 99:91.0 100:4.0 106:51.0 108:3.0 112:77.0 115:536.0 119:77.0 120:17.0 121:29.0 123:21.0 124:12.0 125:18.0 126:140.0 127:330.0 130:94.0 131:533.0 132:2.0 133:745.0 134:431.0 136:13.0 137:5.0 138:6.0 139:136.0 141:559.0 143:468.0 147:4537.0 148:790.0 149:692.0 150:49.0 151:189.0 154:24.0 157:65.0 158:6.0 161:36.0 165:9.0 167:239.0 168:114.0 169:34.0 176:73.0 181:98.0 183:277.0 185:90.0 186:82.0 187:46.0 189:19.0 191:109.0 192:194.0 193:148.0 194:90.0 195:94.0 196:19.0 197:14.0 198:23.0 199:91.0 200:29.0 204:670.0 205:263.0 208:5.0 210:18.0 212:13.0 213:17.0 214:9.0 215:89.0 216:98.0 221:115.0 222:22.0 223:19.0 224:9.0 225:10.0 227:16.0 228:10.0 236:1.0 237:15.0 238:1.0 239:582.0 240:112.0 241:88.0 242:45.0 243:272.0 244:220.0 250:7.0 254:22.0 255:2804.0 256:684.0 257:526.0 258:18.0 260:23.0 262:36.0 263:2.0 264:15.0 265:22.0 266:10.0 267:62.0 270:12.0 275:9.0 276:20.0 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549 275 500 513 323 303 355 193 778 964 803 685 1039 1147 666 806 349 457 307 400 501 459 437 1120 243 418 292 223 712 283 412 312 332 458 355 369 434 146 272 217 1688 pseudo uridine 813899 86:237.0 88:11.0 89:59.0 98:89.0 99:253.0 100:1259.0 101:467.0 102:246.0 103:1528.0 104:31.0 105:44.0 106:207.0 107:166.0 109:7.0 110:112.0 111:375.0 113:146.0 114:80.0 115:64.0 116:328.0 117:474.0 118:55.0 122:3.0 124:1.0 125:164.0 127:342.0 128:214.0 129:1201.0 130:286.0 131:481.0 132:107.0 133:1244.0 134:252.0 136:17.0 137:5.0 140:118.0 141:89.0 142:644.0 143:887.0 144:172.0 145:62.0 147:4539.0 148:445.0 149:337.0 150:116.0 151:2.0 154:38.0 155:24.0 157:175.0 158:206.0 159:110.0 160:40.0 161:40.0 164:26.0 166:61.0 168:25.0 169:17.0 171:22.0 172:115.0 173:30.0 174:800.0 175:136.0 176:8.0 177:65.0 178:6.0 180:1.0 181:7.0 182:1.0 183:6.0 185:91.0 189:243.0 190:16.0 191:131.0 192:29.0 193:107.0 194:34.0 195:53.0 196:10.0 197:1.0 198:16.0 201:467.0 202:66.0 203:3.0 204:120.0 213:11.0 214:36.0 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4806 3594 4103 4614 5879 5156 4512 3513 4602 4746 3219 3655 3737 2914 4747 3603 3404 5286 3637 4166 4699 5008 4339 3371 4221 4494 4283 3011 3590 5434 4583 4152 4416 6169 5041 3977 4612 5523 3677 4151 142 8 proline 364716 85:2056.0 86:1998.0 87:940.0 88:328.0 89:338.0 90:51.0 92:149.0 94:210.0 95:311.0 96:577.0 97:573.0 98:1498.0 99:2820.0 100:4125.0 101:1740.0 102:731.0 103:1654.0 104:106.0 105:427.0 106:176.0 107:465.0 108:67.0 109:52.0 110:311.0 111:232.0 112:301.0 113:996.0 114:329.0 115:1985.0 116:429.0 117:1213.0 118:146.0 119:466.0 120:44.0 121:71.0 122:64.0 123:52.0 124:625.0 125:120.0 126:878.0 127:934.0 128:807.0 129:255.0 131:2440.0 132:478.0 133:3064.0 134:570.0 135:94.0 138:158.0 139:151.0 140:2324.0 141:1105.0 142:160084.0 143:21857.0 144:6216.0 145:351.0 147:17915.0 148:2674.0 149:1091.0 150:66.0 152:85.0 154:93.0 156:89.0 158:368.0 159:85.0 160:31.0 166:8.0 168:85.0 169:16.0 170:1512.0 171:205.0 172:283.0 173:95.0 174:94.0 175:649.0 177:23.0 181:51.0 182:29.0 188:19.0 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433 1030 299 447 223 1353 172 97 264 96 117 110 131 112 153 139 139 157 151 121 168 215 150 95 142 105 254 102 124 75 149 305 2352 225 116 136 142 115 99 1203 154 97 108 125 73 151 105 179 171 174 240 129 164 203 167 113 161 120 145 213 229 3566 367 1685 295 433 135 187 196 106 60 169 144 112 111 230 127 83 203 145 177 156 81 229 124 87 168 190 167 260 16544 pinitol 622466 85:9395.0 86:1247.0 87:3795.0 88:1582.0 89:101591.0 90:8600.0 91:6349.0 92:451.0 93:526.0 94:227.0 95:1533.0 96:175.0 97:1364.0 98:1082.0 99:8159.0 100:1129.0 101:11924.0 102:3254.0 103:78294.0 104:7604.0 105:5939.0 106:408.0 107:576.0 108:301.0 109:3162.0 110:453.0 111:5748.0 112:942.0 113:3906.0 114:782.0 115:5105.0 116:17470.0 117:11099.0 118:1686.0 119:8789.0 120:980.0 121:694.0 122:26.0 123:511.0 124:135.0 125:1071.0 126:454.0 127:4572.0 128:1170.0 129:87537.0 130:9735.0 131:38797.0 132:5617.0 133:129920.0 134:16710.0 135:9102.0 136:754.0 137:526.0 138:109.0 139:962.0 140:301.0 141:1680.0 142:2349.0 143:23890.0 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336:700.0 337:327.0 338:89.0 339:29.0 340:51.0 341:80.0 342:468.0 343:13857.0 344:5095.0 345:4184.0 346:1172.0 347:437.0 348:239.0 349:117.0 350:40.0 356:11.0 357:14.0 358:107.0 359:2547.0 360:988.0 361:921.0 362:218.0 363:111.0 366:37.0 367:2470.0 368:885.0 369:557.0 370:105.0 373:282.0 374:7800.0 375:4989.0 376:2076.0 377:600.0 378:193.0 379:78.0 380:19.0 382:23.0 385:6.0 389:8.0 390:7.0 391:52.0 392:87.0 393:352.0 394:162.0 395:89.0 400:8.0 403:3.0 404:54.0 405:44.0 406:104.0 407:31.0 412:4.0 416:8.0 417:754.0 418:369.0 419:586.0 420:247.0 421:85.0 422:18.0 431:250.0 432:4798.0 433:6249.0 434:3182.0 435:1368.0 436:340.0 437:147.0 438:21.0 448:322.0 449:5265.0 450:2659.0 451:1279.0 452:351.0 453:93.0 454:4.0 458:5.0 464:37.0 465:29.0 466:5.0 467:13.0 479:9.0 480:12.0 C03844 164619 249 198 246 145 409 273 197 149 157 208 170 145 161 239 334 212 164 297 325 823 204 169 122 133 110 146 389 200 223 189 166 116 274 113 125 394 176 203 288 91 691 328 305 171 159 203 106 159 138 118 183 132 174 243 106 152 180 634 207 157 115 209 148 206 262 185 162 240 254 164 177 157 234 232 287 149 140 146 123 103 331 152 163 177 45 93 196 107 191 197 220 168 249 177 147 46142 phthalic acid 567345 85:1488.0 86:188.0 87:617.0 88:207.0 89:2382.0 90:1115.0 91:3962.0 92:168.0 93:1678.0 94:146.0 95:203.0 96:81.0 97:59.0 99:223.0 100:235.0 101:559.0 102:405.0 103:2021.0 104:2900.0 105:3735.0 106:343.0 107:433.0 109:43.0 110:114.0 112:86.0 113:102.0 114:58.0 115:1691.0 116:305.0 117:184.0 118:551.0 119:5043.0 120:785.0 121:597.0 122:83.0 123:50.0 124:7.0 126:880.0 127:441.0 128:199.0 129:554.0 130:40.0 131:1474.0 132:404.0 133:2872.0 134:506.0 135:4620.0 136:580.0 137:275.0 138:23.0 139:54.0 140:2164.0 141:915.0 142:82.0 143:41.0 145:155.0 146:21.0 147:55748.0 148:8946.0 149:5035.0 150:544.0 151:414.0 152:546.0 153:588.0 154:254.0 155:1004.0 159:33.0 160:11.0 161:312.0 162:179.0 163:3118.0 164:459.0 165:517.0 166:75.0 167:200.0 168:13.0 169:310.0 175:53.0 176:88.0 177:92.0 178:221.0 179:228.0 180:38.0 181:172.0 182:119.0 192:228.0 193:889.0 194:183.0 195:88.0 196:37.0 197:1256.0 198:374.0 200:7.0 201:5.0 202:4.0 205:90.0 209:73.0 211:24.0 212:794.0 215:15.0 219:647.0 220:1573.0 221:2016.0 222:365.0 223:173.0 229:3.0 233:44.0 234:22.0 235:24.0 237:11.0 238:11.0 243:14.0 247:12.0 249:17.0 250:9.0 251:43.0 252:19.0 253:15.0 254:16.0 255:9.0 263:2.0 264:16.0 265:348.0 266:90.0 267:77.0 268:4.0 271:21.0 278:10.0 279:40.0 287:6.0 293:43.0 294:213.0 295:3899.0 296:951.0 297:378.0 298:80.0 299:1.0 302:21.0 304:4.0 305:15.0 309:18.0 310:336.0 311:119.0 312:21.0 313:12.0 318:1.0 319:3.0 322:2.0 326:21.0 327:10.0 336:2.0 345:4.0 346:2.0 353:5.0 354:3.0 356:1.0 358:5.0 359:1.0 361:5.0 370:3.0 373:8.0 377:4.0 383:8.0 392:1.0 411:6.0 425:5.0 429:8.0 432:3.0 433:1.0 470:9.0 475:16.0 484:5.0 487:11.0 C01606 1017 4938 3336 5625 3346 3985 3505 5435 4208 4132 2670 3149 1958 1500 1994 1938 1900 2387 3110 2792 2245 1849 2624 3247 1742 1716 4566 1770 2823 3457 1616 1446 2900 3028 3901 3619 1990 2491 4038 4523 3518 2153 3465 1510 1885 3542 4104 2257 2443 1437 1690 1385 3255 2627 1545 2749 2366 1667 2561 2051 2378 2044 1991 2978 3615 2468 2641 3106 2140 3205 3380 2174 2883 1600 1545 2844 1530 3091 2433 4051 1181 1711 3205 6245 3409 3426 2530 3029 2382 2733 3157 3406 2183 1626 2358 299 41988 phosphoethanolamine 604335 85:4482.0 86:63617.0 87:12014.0 88:3644.0 89:3383.0 90:821.0 91:1349.0 92:430.0 93:340.0 94:5.0 95:45.0 96:789.0 97:261.0 98:2892.0 99:2491.0 100:203982.0 101:23440.0 102:10502.0 103:8600.0 104:1871.0 105:4659.0 106:990.0 107:3114.0 108:204.0 109:543.0 111:145.0 112:388.0 113:3848.0 114:98861.0 115:59768.0 116:15091.0 117:9619.0 118:1800.0 119:8190.0 120:1538.0 121:5493.0 122:606.0 123:1961.0 124:515.0 125:85.0 128:62.0 129:2129.0 130:30382.0 131:14533.0 132:4840.0 133:53920.0 134:6221.0 135:20939.0 136:2565.0 137:8091.0 138:859.0 139:660.0 140:175.0 141:39.0 142:480.0 143:429.0 144:1058.0 145:853.0 146:2326.0 147:19561.0 148:2696.0 149:2350.0 150:593.0 151:6437.0 152:763.0 153:1171.0 154:260.0 155:22.0 156:709.0 157:254.0 158:1418.0 159:387.0 160:419.0 161:351.0 162:167.0 163:1734.0 164:318.0 165:2830.0 166:497.0 167:2413.0 168:318.0 169:281.0 170:660.0 171:361.0 172:122311.0 173:23433.0 174:125344.0 175:23127.0 176:10057.0 177:3022.0 178:1046.0 179:3142.0 180:684.0 181:8784.0 182:1323.0 183:2992.0 184:64.0 185:156.0 186:1906.0 187:11777.0 188:79520.0 189:20208.0 190:8044.0 191:10923.0 192:2705.0 193:16591.0 194:3172.0 195:9027.0 196:1564.0 197:2092.0 198:253.0 199:283.0 200:85.0 201:117.0 202:55.0 203:294.0 204:221.0 205:2997.0 206:768.0 207:14594.0 208:3232.0 209:3098.0 210:2025.0 211:28375.0 212:3741.0 213:2527.0 214:276.0 215:107.0 216:181.0 217:100.0 219:28.0 221:1363.0 222:185.0 224:87.0 225:10937.0 226:2086.0 227:2518.0 228:393.0 229:88.0 230:53.0 231:38.0 232:392.0 233:79.0 234:40.0 235:71.0 236:964.0 237:366.0 238:344.0 239:228.0 240:775.0 241:761.0 242:179.0 243:172.0 244:8.0 246:5.0 247:38.0 249:281.0 250:97.0 251:28.0 252:391.0 253:729.0 254:353.0 255:865.0 256:158.0 257:127.0 265:118.0 266:127.0 267:794.0 268:625.0 269:1892.0 270:458.0 271:262.0 272:45.0 273:4.0 276:35.0 278:27.0 280:14.0 281:87.0 282:212.0 283:7536.0 284:2227.0 285:2163.0 286:428.0 287:268.0 288:37.0 290:3.0 291:51.0 294:170.0 295:109.0 296:24.0 297:188.0 298:5767.0 299:122279.0 300:32289.0 301:17320.0 302:3081.0 303:1002.0 304:54.0 305:98.0 306:74.0 307:99.0 308:150.0 309:224.0 310:2417.0 311:689.0 312:412.0 313:1724.0 314:9778.0 315:25666.0 316:7519.0 317:3548.0 318:701.0 319:256.0 320:102.0 321:109.0 322:35.0 323:37.0 324:53.0 325:132.0 326:4887.0 327:1738.0 328:21639.0 329:5681.0 330:3172.0 331:674.0 332:106.0 334:22.0 335:2.0 337:21.0 340:99.0 341:1329.0 342:343.0 343:144.0 350:31.0 352:25.0 353:7.0 354:3.0 355:71.0 356:134.0 357:68.0 358:22.0 359:14.0 366:3.0 367:28.0 371:101.0 372:68.0 373:176.0 374:88.0 383:63.0 384:103.0 386:291.0 387:1347.0 388:541.0 389:283.0 390:28.0 398:115.0 399:44.0 400:25.0 401:38.0 402:6.0 413:316.0 414:7758.0 415:3240.0 416:1706.0 417:509.0 418:131.0 420:7.0 429:155.0 431:19.0 435:6.0 454:6.0 470:12.0 471:17.0 492:1.0 C00346 1015 308 233 296 216 202 696 297 82 391 195 248 103 195 242 576 137 100 141 103 93 207 68 63 476 100 169 205 179 166 96 435 95 167 314 139 84 413 744 604 101 93 114 39 419 164 155 120 496 178 164 668 378 358 154 389 125 279 108 159 351 123 138 340 319 468 154 100 164 345 37 274 964 132 335 87 111 117 83 264 72 101 190 151 168 261 317 362 613 547 399 88 165 89 147 314 4 phosphate 345365 85:2157.0 86:4845.0 87:5305.0 88:1544.0 89:6178.0 90:913.0 91:5486.0 92:639.0 93:1090.0 94:256.0 95:178.0 96:901.0 97:221.0 98:1216.0 99:626.0 100:3524.0 103:17906.0 104:4250.0 105:12326.0 106:1911.0 107:7514.0 108:751.0 109:2429.0 110:239.0 112:225.0 113:1044.0 114:607.0 115:23611.0 116:3246.0 117:2166.0 118:1082.0 119:15220.0 120:2183.0 121:11456.0 122:1330.0 123:5152.0 124:478.0 125:397.0 126:608.0 130:541.0 131:11922.0 132:2542.0 133:82619.0 134:12079.0 135:30184.0 136:3182.0 137:17801.0 138:1549.0 139:1516.0 140:106.0 141:38.0 143:303.0 144:110.0 145:852.0 146:352.0 147:11829.0 148:2149.0 149:2002.0 150:962.0 151:12734.0 152:1341.0 153:2065.0 154:229.0 155:225.0 157:186.0 161:725.0 162:345.0 163:2689.0 164:611.0 165:6169.0 166:1281.0 167:5995.0 168:802.0 169:702.0 170:270.0 171:601.0 172:427.0 173:309.0 174:8375.0 175:1438.0 176:1170.0 177:3097.0 178:1271.0 179:3751.0 180:1142.0 181:17093.0 182:2582.0 183:6047.0 184:1278.0 185:815.0 186:332.0 187:214.0 188:347.0 189:5568.0 190:1226.0 191:21424.0 192:4536.0 193:26195.0 194:4803.0 195:6376.0 196:1216.0 197:1848.0 198:512.0 199:299.0 200:318.0 201:67.0 202:241.0 203:104.0 206:258.0 207:22356.0 208:4669.0 209:3774.0 210:1226.0 211:53568.0 212:8122.0 213:3966.0 214:536.0 215:251.0 216:68.0 221:1996.0 222:436.0 223:582.0 224:176.0 225:12691.0 226:2134.0 227:3444.0 228:478.0 229:232.0 230:91.0 233:94.0 235:47.0 237:160.0 238:106.0 239:393.0 240:107.0 241:154.0 242:18.0 243:76.0 244:60.0 248:39.0 249:62.0 250:82.0 251:135.0 252:114.0 253:953.0 254:289.0 255:766.0 256:327.0 257:133.0 258:64.0 261:72.0 263:51.0 266:12.0 267:931.0 268:405.0 269:1724.0 270:392.0 271:338.0 272:124.0 273:86.0 274:51.0 275:104.0 279:10.0 281:20.0 282:213.0 283:13073.0 284:3709.0 285:2127.0 286:429.0 287:69.0 288:68.0 290:87.0 291:16.0 292:60.0 294:88.0 296:13.0 297:172.0 298:3530.0 299:194352.0 300:49418.0 301:26327.0 302:4432.0 303:1082.0 304:228.0 305:87.0 306:177.0 307:170.0 308:128.0 309:164.0 310:108.0 311:123.0 312:74.0 313:765.0 314:25498.0 315:6708.0 316:3215.0 317:575.0 318:83.0 323:28.0 338:46.0 341:66.0 343:26.0 350:26.0 354:47.0 358:95.0 360:89.0 361:46.0 363:33.0 364:27.0 372:92.0 374:78.0 375:97.0 377:18.0 380:30.0 382:39.0 386:28.0 387:35.0 392:36.0 394:38.0 398:32.0 414:36.0 416:26.0 418:25.0 421:47.0 423:39.0 426:18.0 444:39.0 447:43.0 449:37.0 451:28.0 455:23.0 457:16.0 461:39.0 469:37.0 472:26.0 477:6.0 483:38.0 487:24.0 489:50.0 491:50.0 492:51.0 493:66.0 497:45.0 499:49.0 500:21.0 C00009 1004 24292 645 4241 18793 834 15760 13363 25736 27069 1728 30891 1171 776 163 4524 342 735 2449 2411 653 576 617 8075 744 1099 1509 476 9012 2078 564 7330 711 2872 4878 491 4351 4706 947 3646 9506 895 185 7798 1446 1416 1322 1312 8632 565 437 2878 916 1383 1456 1035 2302 1179 6252 1681 2405 591 370 3426 12474 1075 13826 962 13846 7730 785 1755 3457 2721 3116 5132 904 2053 6152 1615 1466 4747 747 498 11742 3919 852 774 1020 2176 1068 2049 663 545 3479 218 33 phenylalanine 537804 85:116.0 86:960.0 87:386.0 88:130.0 89:524.0 90:333.0 91:7394.0 92:957.0 93:245.0 95:80.0 97:48.0 98:130.0 99:52.0 100:9746.0 101:1177.0 102:805.0 103:1034.0 104:243.0 105:388.0 107:71.0 113:39.0 114:39.0 115:219.0 116:165.0 117:780.0 118:464.0 119:424.0 120:416.0 121:430.0 122:59.0 123:39.0 129:97.0 130:1679.0 131:1133.0 132:1341.0 133:1146.0 134:336.0 135:293.0 136:49.0 138:34.0 139:49.0 140:25.0 141:29.0 142:42.0 144:83.0 145:192.0 146:426.0 147:6295.0 148:898.0 149:575.0 150:95.0 151:46.0 152:15.0 153:27.0 154:22.0 156:27.0 158:130.0 159:184.0 160:581.0 161:110.0 162:249.0 163:322.0 164:97.0 165:70.0 166:20.0 170:26.0 172:26.0 173:36.0 174:206.0 175:105.0 176:336.0 177:374.0 178:83.0 179:42.0 180:31.0 182:17.0 183:47.0 185:37.0 187:18.0 188:20.0 189:27.0 190:164.0 191:107.0 192:10455.0 193:1749.0 194:397.0 195:62.0 196:35.0 198:13.0 202:81.0 203:240.0 204:317.0 205:90.0 206:61.0 210:28.0 211:37.0 215:22.0 216:32.0 218:13238.0 219:2354.0 220:1006.0 221:86.0 235:21.0 239:14.0 266:599.0 267:219.0 268:127.0 270:27.0 277:22.0 278:36.0 279:36.0 282:33.0 284:20.0 286:21.0 294:142.0 295:52.0 297:44.0 299:31.0 300:16.0 301:35.0 308:20.0 310:28.0 311:13.0 313:29.0 314:18.0 315:27.0 317:24.0 320:28.0 324:23.0 326:26.0 329:14.0 331:30.0 334:43.0 336:14.0 337:20.0 339:24.0 341:15.0 343:21.0 346:21.0 351:14.0 352:22.0 362:20.0 363:27.0 364:29.0 366:13.0 367:28.0 369:16.0 374:14.0 375:32.0 378:28.0 380:21.0 382:28.0 385:20.0 386:35.0 389:14.0 390:25.0 392:18.0 393:22.0 394:14.0 402:32.0 403:23.0 404:21.0 406:22.0 407:27.0 411:38.0 413:23.0 414:18.0 416:15.0 418:23.0 419:43.0 420:23.0 421:23.0 422:19.0 423:21.0 424:35.0 425:43.0 426:20.0 427:43.0 429:31.0 434:15.0 436:37.0 437:24.0 438:20.0 440:36.0 443:18.0 447:36.0 450:19.0 451:21.0 452:13.0 469:19.0 479:21.0 481:25.0 499:12.0 C00079 6140 15869 14910 21676 17058 18096 11174 17358 15157 19275 13209 15482 14139 12310 12595 18313 9743 13951 8278 11588 8654 15582 17684 20887 11673 17670 12008 13001 13207 7853 13035 13649 15673 13920 14118 18915 11397 18080 16669 13605 14459 12719 11460 12425 13178 14537 10713 11725 12662 10885 11650 12571 11210 8756 8395 14096 12178 9784 10771 9621 11322 12655 15068 9374 14305 11190 16967 14288 16029 14958 14442 9613 10138 14469 10648 9512 10915 10050 14951 15383 9462 10084 13417 7567 11624 11920 12021 11131 13133 10142 9819 11817 15626 12608 12884 117 50 pelargonic acid 399229 85:95.0 86:236.0 88:109.0 89:242.0 90:68.0 94:18.0 95:61.0 96:43.0 98:137.0 99:208.0 101:214.0 102:71.0 105:367.0 116:364.0 117:7457.0 118:623.0 119:191.0 123:20.0 128:63.0 129:2753.0 130:235.0 131:2172.0 132:1576.0 133:343.0 143:171.0 144:20.0 145:577.0 146:129.0 149:75.0 150:22.0 157:39.0 159:78.0 171:92.0 172:28.0 187:106.0 201:79.0 215:2429.0 216:383.0 217:112.0 221:143.0 222:38.0 252:13.0 258:16.0 260:17.0 275:19.0 281:32.0 282:20.0 284:18.0 286:12.0 287:12.0 289:13.0 300:15.0 302:44.0 315:13.0 330:22.0 343:21.0 360:18.0 373:18.0 410:21.0 443:26.0 C01601 8158 19929 6649 6805 13548 17034 14196 7717 11424 2802 16878 10944 14378 18582 18256 9907 23365 16112 13541 22737 12158 21374 15194 9348 15091 17177 28870 16354 15917 10621 12219 6495 18128 10441 12738 4915 8969 16304 16494 12412 18717 24304 21037 21356 14846 2113 32430 14554 6976 10266 8957 16006 14328 16386 10613 8811 19750 9050 14733 27893 14459 18560 21147 14278 12145 15416 15677 10756 12896 19469 7710 15727 19719 10909 11369 6632 4464 12049 12521 7097 12478 13960 11214 10706 13334 11134 12644 9270 13822 14660 10492 10908 15566 11394 8394 165 16321 p-cresol 280360 85:286.0 86:127.0 89:1119.0 90:283.0 91:12035.0 92:977.0 93:220.0 95:661.0 97:48.0 100:35.0 101:41.0 102:3.0 103:566.0 104:194.0 105:1358.0 106:129.0 107:939.0 108:174.0 109:1304.0 110:198.0 111:8.0 116:61.0 119:166.0 120:79.0 121:303.0 122:20.0 123:105.0 127:98.0 130:438.0 131:212.0 132:26.0 133:15.0 134:340.0 135:3194.0 136:474.0 137:541.0 138:60.0 145:240.0 146:84.0 147:687.0 148:91.0 149:1552.0 150:342.0 151:97.0 159:3.0 160:32.0 161:74.0 162:19.0 163:603.0 164:145.0 165:18040.0 166:2808.0 167:734.0 168:44.0 171:37.0 172:2.0 177:110.0 179:59.0 180:5161.0 181:899.0 182:171.0 184:285.0 230:7.0 235:2.0 240:1.0 243:3.0 244:6.0 246:3.0 247:3.0 255:30.0 271:2.0 283:3.0 291:23.0 298:9.0 302:4.0 303:4.0 305:13.0 306:7.0 309:8.0 326:9.0 334:21.0 352:13.0 363:1.0 370:10.0 372:7.0 401:2.0 414:5.0 441:11.0 445:7.0 457:4.0 461:10.0 470:8.0 C01468 2879 33096 31093 21024 14900 35236 23905 16868 12776 24796 33009 15865 55993 47607 67363 43684 53642 43860 58804 63833 53073 66175 39593 32814 61679 51937 73599 40657 53047 48924 42291 36642 41047 45294 38264 17697 48989 22872 17329 22849 56691 57529 49840 49082 37287 51774 49412 42119 37168 53310 47256 45736 50990 55024 51233 52783 60927 46355 50056 51718 50995 48294 43465 43061 27946 23163 30653 28724 31498 27828 26026 38489 32414 41014 50788 43843 50291 48159 44939 22968 43564 57279 53188 51524 50724 52563 40750 20027 39713 60096 60437 48142 45219 50081 37730 100 4944 parabanic acid NIST 464991 86:184.0 100:2598.0 101:191.0 102:43.0 107:53.0 110:113.0 132:10.0 180:10.0 184:81.0 185:1.0 215:53.0 216:3.0 243:231.0 258:5.0 312:3.0 349:7.0 360:7.0 402:7.0 409:10.0 429:9.0 433:1.0 447:3.0 480:21.0 483:7.0 496:10.0 C00802 67126 276 356 240 277 489 284 425 214 409 352 446 368 538 414 263 322 270 525 287 304 221 305 150 579 577 689 781 460 430 703 482 277 289 206 161 530 677 489 496 417 1736 601 312 262 259 276 302 294 370 174 314 423 471 249 273 253 168 319 328 194 285 297 260 1162 622 309 393 392 377 294 275 345 228 493 428 379 437 424 319 197 268 232 368 219 293 241 347 523 294 694 240 494 217 282 313 11 palmitic acid 713809 85:5547.0 86:2174.0 87:1945.0 88:1374.0 89:4967.0 90:773.0 91:1518.0 92:318.0 93:3798.0 94:511.0 95:10592.0 96:1486.0 97:8747.0 98:6953.0 99:4528.0 100:714.0 101:2700.0 102:872.0 103:543.0 105:5528.0 106:406.0 107:1555.0 108:180.0 109:2908.0 110:516.0 111:3724.0 112:1696.0 113:834.0 114:115.0 115:1629.0 116:11477.0 117:187825.0 118:18078.0 119:7322.0 120:225.0 121:1203.0 122:69.0 123:876.0 124:284.0 125:785.0 126:665.0 127:1046.0 128:874.0 129:85186.0 130:10537.0 131:29280.0 132:63732.0 133:12286.0 134:2792.0 135:1095.0 136:18.0 137:184.0 138:79.0 139:360.0 140:397.0 141:366.0 142:251.0 143:5894.0 144:548.0 145:34708.0 146:3903.0 147:1102.0 149:118.0 150:88.0 151:91.0 153:268.0 154:485.0 155:492.0 156:133.0 157:1550.0 158:290.0 159:2960.0 160:496.0 161:172.0 167:306.0 168:201.0 169:235.0 171:2833.0 172:309.0 173:923.0 174:523.0 175:123.0 177:125.0 180:41.0 181:281.0 182:321.0 183:116.0 184:72.0 185:3833.0 186:643.0 187:2450.0 188:684.0 189:189.0 190:75.0 191:117.0 192:33.0 195:534.0 196:154.0 197:77.0 198:60.0 199:878.0 200:221.0 201:5814.0 202:897.0 203:262.0 204:56.0 205:82.0 206:12.0 207:95.0 209:167.0 210:77.0 211:83.0 213:781.0 214:135.0 215:704.0 216:260.0 218:43.0 219:121.0 225:8.0 226:45.0 227:836.0 228:131.0 229:970.0 230:260.0 231:66.0 232:63.0 233:50.0 237:86.0 238:74.0 239:120.0 241:521.0 242:174.0 243:1204.0 244:298.0 245:119.0 255:146.0 256:61.0 257:536.0 258:194.0 269:1449.0 270:456.0 271:471.0 272:143.0 273:123.0 274:69.0 276:39.0 283:255.0 285:1333.0 286:374.0 287:77.0 291:38.0 298:25.0 299:202.0 300:49.0 301:74.0 304:53.0 311:65.0 312:749.0 313:22319.0 314:6366.0 315:1513.0 316:230.0 327:92.0 328:1505.0 329:376.0 330:125.0 332:25.0 353:30.0 358:23.0 375:50.0 382:31.0 388:56.0 398:45.0 399:36.0 400:24.0 408:48.0 420:45.0 421:25.0 425:20.0 442:30.0 458:35.0 459:30.0 461:31.0 466:39.0 474:39.0 493:42.0 C00249 985 57409 73994 37562 38496 79199 42867 46913 46286 49614 86719 45914 35916 52276 59108 36119 44178 33494 61409 51391 57577 71539 54243 38635 56178 38395 45466 32155 50002 116955 57697 67098 51008 44486 48193 31409 61864 93224 69621 55126 74948 93381 62470 90863 25391 63659 53896 31602 31143 47600 35725 53647 65073 68586 46416 32902 40743 37889 43832 41362 40261 44541 31896 46280 66871 55803 74854 51708 56873 44703 36467 69059 56326 77642 82021 55273 52225 53883 57505 48555 47084 68589 48407 49615 61317 40789 53563 50446 29981 49977 51547 72088 46027 61396 41547 156 10 oxoproline 485935 85:3305.0 86:3646.0 88:224.0 89:349.0 92:90.0 93:31.0 94:268.0 97:300.0 98:1005.0 99:1224.0 100:2213.0 101:88.0 102:773.0 103:769.0 104:198.0 105:507.0 106:72.0 108:279.0 109:95.0 110:674.0 111:220.0 112:3321.0 113:1081.0 114:1752.0 115:792.0 116:101.0 117:1281.0 118:207.0 119:332.0 122:383.0 123:65.0 124:48.0 126:536.0 127:49.0 128:356.0 129:115.0 130:114.0 131:2158.0 132:618.0 133:4526.0 134:754.0 135:255.0 137:24.0 138:84.0 139:101.0 141:560.0 142:564.0 144:150.0 145:44.0 147:25073.0 148:3867.0 149:1964.0 150:231.0 151:110.0 152:34.0 153:44.0 154:924.0 155:543.0 156:125259.0 157:16525.0 158:5271.0 159:295.0 161:60.0 168:216.0 170:226.0 172:75.0 173:47.0 174:264.0 179:19.0 184:105.0 186:103.0 187:45.0 190:138.0 191:44.0 193:24.0 198:10.0 200:33.0 201:26.0 202:22.0 203:17.0 208:35.0 213:44.0 214:995.0 215:198.0 216:25.0 223:14.0 224:15.0 225:28.0 227:32.0 228:286.0 229:106.0 230:4024.0 231:965.0 232:370.0 233:55.0 234:53.0 235:19.0 239:27.0 240:29.0 241:28.0 242:9.0 243:34.0 244:41.0 248:17.0 249:23.0 250:33.0 252:30.0 254:23.0 256:70.0 257:53.0 258:5230.0 259:951.0 260:512.0 261:125.0 262:25.0 266:32.0 268:21.0 270:17.0 273:170.0 274:55.0 275:38.0 276:17.0 279:40.0 280:23.0 281:27.0 284:8.0 286:17.0 287:13.0 292:13.0 312:27.0 318:27.0 330:8.0 351:24.0 366:15.0 369:20.0 373:33.0 374:31.0 375:28.0 376:17.0 378:14.0 381:13.0 384:20.0 387:16.0 388:20.0 392:21.0 396:15.0 412:13.0 419:20.0 422:26.0 426:29.0 428:23.0 432:27.0 433:22.0 437:22.0 439:22.0 441:13.0 445:22.0 447:13.0 449:23.0 452:14.0 453:14.0 454:19.0 455:26.0 459:17.0 461:21.0 462:19.0 463:33.0 464:26.0 467:24.0 468:18.0 469:26.0 475:23.0 486:26.0 492:20.0 493:22.0 C01879 7405 256597 218750 424314 196113 236567 182394 400626 192293 214220 150745 237300 682133 505182 460202 826082 470959 740023 615278 555321 572491 603352 734381 783209 489080 630807 512336 671928 549659 367814 633650 533376 542085 653984 772833 749181 520874 238383 188082 292376 487210 468075 495221 427506 601188 204537 454208 515491 516437 372832 415156 507385 476949 340281 422915 544239 389496 424313 323900 437442 367609 442383 437563 361253 238840 192082 151000 185361 136170 283916 143572 135116 650882 510045 442879 463251 458699 454897 503355 192815 383320 430458 494163 398171 547496 485095 411004 480708 517489 399557 381860 465429 445585 385779 458719 190 4923 oxalic acid 260513 85:642.0 86:564.0 88:852.0 89:2725.0 90:394.0 91:354.0 92:72.0 93:452.0 95:374.0 99:782.0 100:169.0 101:3135.0 102:7162.0 103:10813.0 104:1629.0 105:3087.0 106:416.0 107:839.0 108:169.0 109:471.0 110:173.0 111:137.0 113:787.0 114:94.0 115:3681.0 116:1325.0 117:6042.0 118:1002.0 119:1067.0 120:91.0 121:33.0 122:65.0 123:314.0 124:97.0 125:300.0 129:68.0 130:184.0 131:11895.0 132:2017.0 133:14362.0 134:1936.0 135:1055.0 136:250.0 137:6022.0 138:535.0 139:6282.0 140:477.0 141:375.0 146:275.0 147:223008.0 148:34909.0 149:18131.0 150:1859.0 151:357.0 152:13.0 153:79.0 154:4.0 159:65.0 163:10.0 165:77.0 167:6803.0 168:578.0 169:6792.0 170:580.0 171:173.0 174:7.0 175:4902.0 176:927.0 177:389.0 178:20.0 180:11.0 181:1.0 184:160.0 185:18.0 190:9140.0 191:1763.0 192:814.0 193:63.0 195:15.0 199:5.0 209:920.0 210:86.0 211:929.0 212:66.0 219:4986.0 220:960.0 221:355.0 222:27.0 483:4.0 C00209 971 2425 2262 2069 1973 1315 19855 2322 1556 2062 1540 1207 1626 2160 1448 2085 1711 1874 2398 1734 2509 3190 3632 2043 2822 3558 1697 1669 1059 1600 2082 1437 1782 3396 1478 1593 5117 1391 1905 9518 1700 2507 1794 1696 1338 1521 949 3237 2584 2399 1819 3010 1870 1321 1978 1542 214 2549 1512 1872 1350 1921 2015 843 1634 4249 1678 2473 1234 1196 2685 2918 596 1526 2086 856 2821 2536 2386 1411 2672 1935 1550 1182 1943 1525 1329 1327 1087 2331 1523 1763 2012 1469 1046 142 1821 ornithine 527113 85:252.0 86:569.0 87:548.0 88:467.0 89:1118.0 90:393.0 94:104.0 95:111.0 96:181.0 97:341.0 98:542.0 99:225.0 100:4351.0 101:232.0 102:4646.0 103:662.0 104:345.0 105:178.0 106:63.0 107:181.0 108:4.0 109:6.0 110:358.0 111:16.0 112:222.0 113:200.0 114:874.0 115:3565.0 116:287.0 117:1730.0 118:380.0 119:233.0 124:193.0 125:16.0 126:683.0 128:2450.0 129:1396.0 130:1712.0 131:801.0 132:778.0 133:1042.0 134:241.0 136:87.0 139:109.0 140:164.0 141:423.0 142:23875.0 143:3872.0 144:2986.0 145:327.0 146:1013.0 147:4795.0 148:658.0 149:565.0 150:74.0 151:111.0 152:39.0 153:690.0 154:92.0 155:103.0 157:36.0 158:255.0 159:17.0 160:116.0 161:18.0 162:1782.0 163:711.0 164:109.0 167:167.0 168:251.0 169:425.0 170:315.0 171:757.0 172:710.0 173:6.0 174:259.0 175:50.0 176:158.0 178:12.0 184:112.0 185:65.0 186:386.0 187:48.0 188:162.0 189:147.0 190:67.0 192:82.0 200:226.0 201:110.0 202:170.0 203:174.0 204:1119.0 205:188.0 206:102.0 209:7.0 210:90.0 211:20.0 213:39.0 214:35.0 216:965.0 218:537.0 219:454.0 220:58.0 221:4.0 225:51.0 226:121.0 227:66.0 228:74.0 231:106.0 232:158.0 233:167.0 234:1.0 235:51.0 236:110.0 237:84.0 240:41.0 241:246.0 243:909.0 244:975.0 245:253.0 249:17.0 251:9.0 258:286.0 259:274.0 260:109.0 262:88.0 264:5.0 267:15.0 271:26.0 273:26.0 274:17.0 276:110.0 277:1.0 286:46.0 288:60.0 292:48.0 299:181.0 300:7.0 302:88.0 319:7.0 320:14.0 321:1.0 322:103.0 328:14.0 331:9.0 335:9.0 336:7.0 337:4.0 339:34.0 345:1.0 346:32.0 347:19.0 348:447.0 349:223.0 350:81.0 351:87.0 352:19.0 353:3.0 357:47.0 358:9.0 362:33.0 363:11.0 364:36.0 366:25.0 369:39.0 371:58.0 377:39.0 379:29.0 402:24.0 403:2.0 405:21.0 406:26.0 407:4.0 408:107.0 409:4.0 410:41.0 413:7.0 418:73.0 419:1.0 420:21.0 421:1.0 422:21.0 427:56.0 431:52.0 434:17.0 440:31.0 441:56.0 444:70.0 447:19.0 449:17.0 455:34.0 456:6.0 458:17.0 460:4.0 462:60.0 464:39.0 465:24.0 469:4.0 471:20.0 474:65.0 475:2.0 481:1.0 482:20.0 490:14.0 494:18.0 496:19.0 500:34.0 C00077 6262 16952 17694 15701 15831 32464 12082 16666 12706 24575 16396 14294 8949 8420 9940 15484 5587 8087 6965 8909 10316 10821 11853 16925 7017 10911 8072 10839 9984 7900 7583 16739 8595 11970 11716 12944 12832 27951 21918 20577 11119 5476 9449 11713 10054 20434 11279 7819 9355 10378 7499 12693 10383 7668 8316 11787 7354 7447 8701 12829 8392 9985 8452 12354 19312 13860 17289 15000 17243 19938 16909 12350 7692 9836 10022 11222 12272 7951 13190 21376 5766 10065 10168 9937 13246 8579 8250 8319 16243 9059 7771 8156 12368 8883 9996 327 997 octadecanol 755409 85:3812.0 86:224.0 87:853.0 88:401.0 89:7207.0 90:593.0 91:2611.0 92:281.0 93:206.0 94:57.0 95:784.0 96:291.0 97:9121.0 98:859.0 99:2097.0 100:378.0 101:3627.0 102:510.0 103:8469.0 104:862.0 105:36.0 109:308.0 110:74.0 111:3878.0 112:352.0 113:980.0 115:1693.0 116:209.0 121:32.0 123:60.0 124:45.0 125:1173.0 126:164.0 127:120.0 129:1075.0 137:28.0 139:257.0 140:47.0 141:118.0 143:377.0 144:41.0 145:73.0 148:139.0 153:32.0 155:55.0 158:81.0 168:52.0 169:50.0 171:155.0 174:43.0 175:7.0 181:33.0 184:46.0 185:124.0 186:47.0 187:59.0 188:43.0 189:52.0 190:19.0 191:106.0 196:44.0 197:66.0 199:83.0 205:74.0 208:18.0 210:8.0 212:73.0 213:168.0 214:16.0 215:68.0 217:35.0 222:51.0 223:13.0 224:24.0 225:23.0 227:97.0 230:58.0 234:33.0 235:42.0 241:78.0 244:36.0 245:33.0 251:35.0 252:9.0 255:10.0 262:52.0 288:38.0 290:24.0 291:19.0 295:11.0 304:27.0 306:33.0 312:11.0 313:41.0 315:10.0 319:37.0 326:310.0 327:6103.0 328:1866.0 329:455.0 330:116.0 332:10.0 333:16.0 366:21.0 369:16.0 377:25.0 384:8.0 387:31.0 399:29.0 409:9.0 417:26.0 424:33.0 437:20.0 439:30.0 441:8.0 445:33.0 446:29.0 462:39.0 465:44.0 470:11.0 473:39.0 0 8221 496 957 487 235 603 448 480 410 354 521 452 302 340 429 4425 262 296 254 331 281 447 804 171 193 211 528 168 204 340 257 318 364 266 161 146 345 375 763 539 259 406 422 445 264 267 267 191 164 232 236 349 216 219 221 180 269 210 350 238 281 216 250 163 718 554 457 276 537 480 283 322 172 176 296 234 170 198 320 452 315 195 301 204 255 204 294 207 241 334 292 435 286 217 200 117 46258 nonadecanoic acid 822782 85:1502.0 89:30.0 101:20.0 117:3559.0 118:308.0 129:1734.0 130:140.0 131:491.0 132:1487.0 134:55.0 135:25.0 145:565.0 146:4.0 150:7.0 159:47.0 173:18.0 185:102.0 187:34.0 201:139.0 213:2.0 241:13.0 246:10.0 283:25.0 285:5.0 313:22.0 327:21.0 328:30.0 339:2.0 341:7.0 346:3.0 354:7.0 355:315.0 356:200.0 357:42.0 358:14.0 364:1.0 403:4.0 428:8.0 484:8.0 C16535 12591 727 774 531 497 887 584 738 426 561 1190 396 673 789 537 861 510 438 707 645 579 1124 1097 1292 367 761 765 947 600 1573 855 842 768 588 646 720 835 1034 783 599 860 1351 860 1292 357 912 782 589 491 634 443 673 989 112 524 530 598 463 592 492 396 665 483 773 866 839 784 610 749 599 542 713 816 795 1031 666 616 747 720 643 654 1124 473 550 206 496 573 519 722 671 667 1071 469 860 537 130 35 N-methylalanine 286855 86:72.0 87:70.0 88:60.0 95:172.0 96:100.0 97:101.0 98:310.0 100:1409.0 101:515.0 103:438.0 109:19.0 112:26.0 113:30.0 114:381.0 115:214.0 116:41.0 117:123.0 119:88.0 125:26.0 127:344.0 128:166.0 129:205.0 130:17910.0 131:2153.0 132:165.0 133:555.0 137:14.0 141:36.0 142:98.0 143:94.0 144:50.0 145:44.0 146:118.0 147:859.0 148:610.0 149:322.0 150:27.0 151:15.0 152:21.0 154:24.0 158:64.0 162:20.0 163:27.0 164:14.0 165:25.0 168:24.0 172:33.0 174:45.0 177:20.0 178:17.0 180:44.0 182:31.0 187:154.0 192:20.0 196:24.0 199:43.0 204:248.0 205:113.0 213:46.0 214:35.0 215:37.0 216:38.0 217:32.0 218:92.0 219:14.0 220:61.0 225:21.0 238:29.0 254:19.0 255:16.0 258:25.0 260:29.0 261:10.0 264:19.0 267:40.0 272:22.0 273:17.0 274:29.0 276:17.0 278:37.0 279:29.0 280:37.0 282:26.0 284:14.0 285:16.0 289:11.0 292:18.0 294:23.0 295:39.0 297:32.0 298:10.0 299:36.0 300:29.0 302:15.0 303:11.0 305:39.0 308:44.0 309:38.0 311:28.0 312:26.0 313:38.0 314:25.0 315:39.0 316:34.0 317:35.0 318:28.0 320:46.0 321:28.0 322:16.0 323:22.0 324:43.0 325:28.0 329:34.0 330:36.0 331:39.0 332:49.0 333:24.0 334:24.0 336:31.0 337:31.0 338:21.0 339:19.0 342:26.0 346:17.0 348:25.0 350:32.0 351:43.0 352:19.0 354:25.0 357:29.0 358:23.0 360:24.0 361:28.0 364:22.0 365:34.0 366:28.0 370:43.0 372:41.0 374:27.0 375:7.0 376:46.0 377:36.0 381:33.0 384:26.0 385:23.0 387:26.0 388:40.0 389:15.0 391:25.0 393:15.0 394:24.0 395:42.0 397:37.0 398:29.0 399:22.0 400:41.0 401:34.0 402:15.0 403:37.0 404:17.0 405:23.0 406:26.0 407:18.0 408:36.0 409:24.0 410:31.0 411:40.0 412:27.0 414:22.0 415:27.0 416:17.0 417:41.0 418:25.0 419:21.0 420:40.0 421:35.0 422:15.0 423:30.0 428:33.0 429:29.0 430:9.0 431:24.0 433:46.0 434:11.0 440:8.0 441:19.0 442:23.0 445:6.0 446:35.0 448:41.0 449:22.0 450:23.0 452:34.0 454:49.0 455:36.0 457:23.0 459:40.0 464:7.0 465:23.0 467:45.0 469:33.0 470:10.0 471:17.0 472:33.0 474:33.0 475:37.0 477:33.0 479:36.0 480:42.0 481:10.0 482:39.0 484:19.0 485:25.0 486:18.0 488:26.0 489:13.0 492:8.0 495:30.0 497:14.0 C02721 5288725 8844 7783 5497 4799 6705 4271 3727 3781 9075 5414 3981 5801 5991 5465 7531 3900 6787 5842 8477 5846 12050 11808 7057 8846 11152 4370 6462 2628 3477 4885 4896 4663 9860 7922 6308 11825 3990 3937 3972 7356 6434 6722 5100 6939 5776 4771 9143 5177 5499 4758 9925 7356 4560 8364 5376 6749 6268 3605 5324 1832 5749 10603 3681 3833 2227 5809 4615 7002 4032 12851 7153 3604 6315 4973 2920 8450 9877 11004 5311 5762 6503 5451 2406 8057 7151 5084 1948 5579 7516 4599 7188 7577 5313 7951 179 1749 nicotinamide 469827 85:163.0 86:62.0 88:15.0 93:250.0 94:28.0 95:14.0 99:2.0 100:441.0 102:35.0 104:246.0 105:493.0 106:197.0 107:167.0 108:39.0 110:86.0 113:68.0 114:53.0 119:38.0 122:5.0 130:17.0 131:146.0 133:48.0 136:1730.0 137:162.0 138:49.0 143:12.0 147:1383.0 148:106.0 149:87.0 151:12.0 161:6.0 162:2.0 171:59.0 174:10.0 175:40.0 179:4411.0 180:519.0 181:144.0 183:21.0 184:100.0 186:1.0 189:21.0 190:22.0 191:17.0 193:247.0 194:104.0 201:89.0 204:4.0 205:40.0 210:32.0 213:5.0 217:3.0 218:11.0 219:7.0 226:19.0 231:7.0 233:16.0 238:29.0 241:16.0 243:398.0 244:67.0 245:37.0 247:2.0 257:6.0 272:10.0 283:14.0 287:1.0 294:28.0 298:1.0 299:1.0 300:39.0 304:1.0 313:8.0 319:6.0 331:11.0 343:1.0 358:8.0 365:9.0 374:8.0 376:21.0 379:28.0 392:27.0 408:6.0 417:20.0 439:5.0 456:11.0 463:4.0 468:2.0 475:17.0 483:9.0 487:3.0 489:12.0 494:13.0 497:15.0 C00153 936 265 252 293 303 387 343 379 302 342 263 241 240 314 268 245 234 261 620 168 186 272 685 204 276 204 311 191 209 273 505 619 243 222 236 271 739 206 320 334 1304 400 305 334 177 543 175 171 181 215 220 164 196 259 218 225 158 144 191 159 221 194 173 186 203 173 229 151 222 213 292 214 288 450 323 496 268 233 251 291 284 491 242 251 276 326 143 166 240 186 179 179 239 192 166 174 4931 N-acetylornithine 697086 85:53.0 86:1195.0 87:33.0 89:479.0 90:19.0 100:875.0 101:89.0 103:402.0 104:45.0 113:18.0 114:86.0 116:326.0 117:134.0 118:19.0 128:7.0 129:239.0 130:144.0 131:78.0 133:165.0 139:11.0 143:12.0 144:137.0 147:173.0 157:36.0 158:37.0 160:95.0 161:4.0 170:9.0 172:32.0 173:19.0 174:3568.0 175:705.0 176:279.0 177:32.0 184:26.0 185:34.0 186:25.0 188:359.0 189:117.0 190:45.0 192:7.0 195:3.0 201:10.0 217:659.0 218:187.0 219:36.0 231:4.0 232:87.0 233:48.0 262:69.0 263:9.0 264:12.0 265:1.0 280:41.0 290:279.0 291:25.0 293:96.0 295:7.0 347:2.0 415:4.0 418:7.0 464:18.0 C00437 439232 1053 1003 1609 1251 1010 1026 1017 1919 1270 647 1009 107 102 89 112 186 507 178 126 123 109 90 209 120 92 122 169 135 117 147 98 129 81 75 129 183 871 870 1260 165 163 104 205 596 717 456 392 113 665 103 146 102 143 130 131 144 109 391 626 609 492 372 561 910 790 959 795 819 1142 1160 891 169 129 115 97 184 113 156 972 122 120 122 129 178 130 105 115 65 98 131 364 183 108 90 129 14817 N-acetylmannosamine 722897 85:4.0 86:39.0 87:791.0 88:39.0 89:233.0 90:24.0 91:8.0 92:15.0 93:43.0 94:13.0 95:18.0 96:9.0 97:4.0 98:45.0 99:101.0 100:46.0 101:79.0 102:5.0 103:418.0 104:33.0 105:43.0 106:8.0 107:21.0 108:29.0 109:20.0 110:98.0 111:30.0 112:44.0 113:62.0 114:48.0 115:13.0 116:132.0 117:365.0 118:46.0 119:28.0 120:11.0 121:28.0 122:10.0 123:17.0 124:10.0 125:23.0 127:3.0 128:48.0 129:623.0 130:79.0 131:125.0 132:19.0 133:130.0 134:37.0 135:12.0 137:45.0 138:37.0 139:21.0 141:55.0 142:23.0 143:53.0 144:48.0 145:8.0 146:46.0 147:722.0 148:115.0 149:91.0 150:39.0 151:6.0 152:9.0 153:41.0 154:25.0 155:19.0 156:8.0 157:144.0 158:79.0 159:15.0 160:23.0 161:9.0 162:17.0 163:40.0 164:21.0 165:12.0 166:9.0 167:27.0 168:15.0 169:22.0 170:33.0 171:92.0 172:37.0 173:183.0 174:53.0 175:28.0 176:24.0 177:16.0 178:9.0 179:4.0 180:12.0 181:3.0 182:4.0 183:22.0 184:21.0 185:18.0 186:22.0 187:17.0 188:4.0 189:56.0 190:25.0 192:15.0 193:8.0 194:6.0 195:16.0 196:11.0 197:23.0 199:5.0 200:38.0 201:38.0 202:287.0 203:56.0 205:312.0 206:45.0 207:16.0 208:1.0 209:7.0 210:10.0 211:25.0 212:22.0 213:66.0 214:10.0 215:10.0 216:9.0 217:119.0 218:45.0 219:13.0 220:17.0 222:16.0 224:3.0 225:8.0 226:13.0 227:17.0 228:12.0 229:39.0 230:7.0 231:78.0 232:24.0 233:16.0 234:6.0 235:17.0 236:4.0 237:4.0 238:19.0 239:27.0 240:9.0 241:2.0 242:20.0 243:79.0 244:31.0 245:20.0 246:18.0 247:12.0 249:19.0 250:6.0 251:8.0 252:14.0 253:23.0 254:21.0 255:22.0 256:11.0 257:10.0 258:19.0 259:4.0 260:8.0 261:14.0 262:19.0 263:23.0 264:1.0 265:1.0 268:7.0 269:17.0 270:18.0 271:4.0 272:9.0 273:21.0 274:80.0 275:31.0 276:14.0 277:8.0 278:7.0 279:12.0 280:9.0 281:20.0 282:17.0 283:9.0 284:7.0 285:9.0 287:25.0 288:8.0 289:21.0 290:14.0 291:6.0 292:24.0 294:13.0 295:25.0 297:5.0 298:19.0 300:15.0 301:22.0 302:23.0 303:8.0 304:5.0 305:7.0 306:1.0 307:15.0 308:6.0 309:7.0 310:9.0 311:18.0 313:13.0 314:3.0 315:23.0 317:10.0 318:17.0 319:140.0 320:38.0 321:37.0 322:6.0 323:8.0 325:23.0 326:26.0 328:2.0 332:12.0 333:50.0 334:27.0 335:25.0 336:4.0 338:3.0 339:28.0 341:22.0 342:2.0 343:3.0 344:15.0 345:9.0 346:6.0 347:25.0 348:17.0 349:10.0 350:15.0 351:10.0 352:5.0 353:13.0 354:17.0 355:6.0 357:4.0 358:7.0 360:28.0 362:2.0 363:20.0 364:15.0 365:9.0 367:10.0 368:13.0 369:14.0 370:2.0 371:15.0 372:13.0 373:12.0 374:18.0 375:2.0 376:1.0 377:13.0 378:3.0 379:13.0 380:4.0 381:11.0 382:10.0 385:13.0 386:6.0 387:22.0 388:13.0 389:20.0 390:13.0 391:1.0 392:3.0 393:6.0 394:11.0 395:5.0 396:9.0 397:3.0 398:1.0 399:3.0 403:6.0 405:9.0 406:2.0 407:17.0 408:6.0 409:23.0 410:11.0 411:12.0 412:14.0 413:21.0 414:10.0 415:15.0 416:6.0 417:2.0 418:10.0 419:6.0 420:2.0 421:4.0 422:6.0 423:2.0 424:9.0 425:3.0 426:12.0 427:1.0 428:11.0 429:3.0 430:22.0 431:9.0 432:13.0 433:12.0 435:6.0 436:6.0 437:9.0 438:19.0 439:1.0 440:4.0 441:7.0 442:2.0 444:16.0 445:13.0 446:11.0 447:11.0 449:13.0 450:2.0 451:10.0 452:6.0 453:8.0 454:26.0 456:13.0 457:9.0 458:25.0 460:8.0 461:12.0 462:6.0 463:19.0 464:11.0 465:5.0 466:10.0 467:6.0 468:3.0 469:2.0 470:13.0 471:7.0 472:13.0 473:10.0 474:4.0 475:2.0 476:7.0 477:4.0 478:4.0 479:8.0 480:13.0 481:6.0 483:14.0 484:3.0 485:15.0 486:10.0 488:3.0 489:5.0 490:16.0 491:20.0 493:10.0 494:10.0 496:21.0 497:3.0 498:4.0 499:19.0 500:4.0 C00645 439281 1465 2625 4274 3668 2672 2991 3128 2694 2990 2115 1641 1025 1476 894 1940 1455 889 1555 1348 1028 885 1570 2192 1303 1748 1129 2305 1305 1984 1472 1645 1701 2235 1155 2257 1439 2075 2986 1062 1646 2274 1647 2258 1545 1692 661 1364 1600 1656 825 1339 1600 1181 1370 1450 1253 1237 587 1344 934 1667 767 1522 2768 1959 1632 2154 2137 946 463 2026 2307 1479 896 1845 2095 763 1424 1560 1434 1206 1383 1346 1541 1047 1527 1625 2265 1613 1479 1034 1108 817 1095 158 84199 n-acetylglutamate 477776 85:10633.0 86:1766.0 87:340.0 88:66.0 89:264.0 91:59.0 92:20.0 93:282.0 94:160.0 98:705.0 100:1546.0 101:446.0 102:383.0 103:4101.0 104:400.0 105:111.0 108:18.0 112:715.0 114:1204.0 115:585.0 116:5630.0 117:66.0 118:193.0 121:46.0 123:57.0 124:253.0 126:24.0 128:469.0 129:1054.0 130:3040.0 131:379.0 135:39.0 136:15.0 138:9.0 140:5548.0 141:3.0 142:1504.0 146:90.0 147:283.0 148:17.0 149:48.0 151:3.0 153:333.0 154:77.0 155:5960.0 156:4662.0 157:11837.0 158:14742.0 160:157.0 163:13.0 165:3.0 168:61.0 169:202.0 170:90.0 171:2995.0 172:191.0 173:24.0 175:2.0 176:2.0 177:2.0 178:1.0 179:1.0 181:73.0 184:52.0 186:7763.0 187:1074.0 188:284.0 189:15.0 191:6.0 192:1.0 193:1.0 197:115.0 199:47.0 200:7.0 201:175.0 202:7.0 204:21.0 205:18.0 206:2.0 207:1.0 209:1.0 211:70.0 221:8.0 222:1.0 227:542.0 228:59.0 235:5.0 236:1.0 237:1.0 244:8.0 253:3.0 262:2.0 266:9.0 268:3.0 290:1.0 293:3.0 294:1.0 307:2.0 308:2.0 334:8.0 335:2.0 371:5.0 392:12.0 423:4.0 454:14.0 469:2.0 471:1.0 C00624 70914 884 652 1119 317 305 208 408 339 815 176 640 162 986 338 407 375 330 1000 985 341 538 378 275 316 334 272 296 516 309 285 299 252 319 313 355 287 313 404 192 404 492 163 315 329 375 357 311 638 296 681 305 68 630 707 972 813 738 169 258 435 110 389 471 336 351 213 181 108 403 530 394 892 325 311 358 319 299 230 215 239 249 421 263 292 193 258 458 393 403 178 315 345 248 316 319 1674 n-acetyl-d-hexosamine 746341 85:448.0 86:230.0 88:655.0 89:9641.0 90:778.0 99:345.0 100:2544.0 101:2131.0 102:964.0 103:45456.0 104:4561.0 105:1970.0 106:10.0 113:655.0 114:2492.0 115:766.0 116:104.0 117:11596.0 118:1129.0 119:1434.0 126:279.0 127:100.0 128:346.0 129:15183.0 130:2624.0 131:3200.0 133:18066.0 134:1988.0 135:689.0 140:72.0 141:221.0 142:588.0 143:1887.0 144:357.0 146:152.0 147:49213.0 148:7660.0 149:5097.0 150:404.0 151:125.0 154:287.0 156:370.0 157:16485.0 158:2488.0 159:1263.0 160:179.0 161:548.0 162:65.0 163:1714.0 164:213.0 165:18.0 168:79.0 169:745.0 170:110.0 172:4718.0 173:2803.0 174:729.0 175:1005.0 176:65.0 177:888.0 178:227.0 179:89.0 181:46.0 182:26.0 184:4.0 186:47.0 187:62.0 188:563.0 189:5420.0 190:1879.0 191:2919.0 192:623.0 193:148.0 194:6.0 198:9.0 200:239.0 201:1244.0 202:782.0 203:893.0 204:4708.0 205:30375.0 206:6071.0 207:3146.0 208:330.0 209:52.0 210:98.0 212:30.0 214:441.0 215:207.0 216:640.0 217:17793.0 218:3709.0 219:1782.0 220:251.0 221:1065.0 222:257.0 223:157.0 224:7.0 228:23.0 229:4567.0 230:1680.0 231:1220.0 232:430.0 233:68.0 234:113.0 235:656.0 236:147.0 237:41.0 238:10.0 240:143.0 241:76.0 242:255.0 243:281.0 244:337.0 245:241.0 246:244.0 247:585.0 248:53.0 249:3.0 252:30.0 254:23.0 256:243.0 257:86.0 258:37.0 259:277.0 260:290.0 261:124.0 262:1263.0 263:852.0 264:230.0 265:196.0 268:524.0 269:33.0 270:76.0 272:17.0 273:49.0 274:85.0 275:144.0 276:11.0 277:721.0 278:238.0 279:75.0 283:27.0 284:17.0 287:12.0 288:322.0 289:64.0 291:947.0 292:273.0 293:35.0 294:15.0 300:28.0 302:483.0 303:144.0 304:89.0 305:879.0 306:331.0 307:946.0 308:293.0 309:42.0 311:28.0 312:10.0 314:49.0 315:2.0 316:42.0 318:281.0 319:26076.0 320:7869.0 321:3845.0 322:694.0 323:135.0 330:16.0 331:70.0 332:259.0 333:136.0 334:342.0 335:197.0 336:81.0 342:80.0 343:31.0 344:117.0 347:24.0 348:15.0 364:42.0 373:17.0 376:29.0 381:7.0 386:18.0 391:22.0 402:144.0 406:2.0 419:16.0 463:22.0 C03878 24139 664 254 739 214 576 418 1030 801 259 370 667 71 220 250 232 90 36 250 184 258 273 84 372 135 178 275 429 69 235 192 327 180 299 139 274 209 590 397 512 281 252 73 219 268 251 243 227 216 195 276 245 278 236 167 152 168 131 200 173 71 146 172 172 519 378 435 406 240 515 570 706 169 293 250 280 180 271 350 581 234 248 207 181 216 306 185 216 271 356 152 191 262 197 229 319 16829 N-acetyl-D-galactosamine 720730 85:5.0 87:21.0 89:522.0 90:3.0 91:16.0 92:2.0 96:5.0 99:15.0 100:381.0 101:81.0 102:1.0 103:551.0 104:46.0 105:18.0 107:5.0 109:4.0 112:43.0 113:156.0 114:271.0 116:297.0 117:1378.0 118:2.0 127:178.0 128:2.0 129:2030.0 130:131.0 131:17.0 133:111.0 135:22.0 136:1.0 137:1.0 139:11.0 141:32.0 142:43.0 143:40.0 145:60.0 147:2330.0 148:379.0 149:5.0 150:1.0 155:89.0 156:73.0 157:1463.0 158:237.0 159:678.0 160:13.0 161:26.0 162:14.0 163:10.0 170:19.0 171:185.0 172:20.0 173:355.0 174:22.0 175:40.0 176:10.0 177:5.0 178:2.0 179:1.0 182:44.0 184:41.0 188:25.0 189:113.0 191:36.0 192:5.0 193:36.0 194:5.0 195:4.0 201:1147.0 202:569.0 203:35.0 204:315.0 205:2784.0 206:517.0 207:552.0 208:210.0 209:72.0 210:20.0 211:15.0 213:83.0 214:19.0 216:3.0 217:395.0 218:40.0 221:451.0 222:85.0 224:14.0 229:317.0 230:171.0 231:37.0 232:6.0 233:12.0 234:1.0 240:2.0 242:27.0 243:149.0 244:59.0 245:78.0 246:19.0 247:1.0 250:2.0 254:4.0 257:16.0 259:12.0 261:33.0 265:7.0 266:34.0 267:3.0 268:40.0 269:37.0 271:2.0 273:4.0 274:68.0 275:14.0 277:39.0 279:10.0 281:122.0 282:77.0 283:54.0 285:50.0 288:3.0 291:38.0 292:19.0 297:53.0 299:33.0 302:4.0 303:9.0 305:90.0 313:39.0 315:150.0 316:66.0 317:15.0 318:55.0 319:1709.0 320:544.0 321:301.0 322:35.0 323:17.0 324:15.0 326:1.0 327:41.0 329:28.0 331:3.0 332:7.0 333:10.0 334:2.0 335:1.0 336:5.0 338:1.0 339:5.0 341:79.0 343:17.0 345:5.0 350:1.0 353:1.0 354:3.0 355:103.0 356:3.0 357:10.0 368:1.0 374:54.0 375:23.0 376:2.0 380:3.0 383:11.0 387:5.0 393:1.0 401:1.0 404:1.0 405:12.0 412:11.0 416:12.0 417:29.0 429:5.0 430:5.0 431:1.0 441:4.0 446:1.0 448:27.0 460:2.0 461:102.0 462:7.0 463:18.0 474:1.0 477:2.0 478:1.0 479:7.0 489:10.0 491:3.0 497:2.0 498:4.0 C05021 440552 853 623 1266 1043 490 885 1125 496 389 558 752 225 245 153 223 173 156 254 265 217 260 215 208 309 304 274 457 280 424 152 406 175 229 330 433 244 388 578 628 365 478 293 345 294 320 245 207 227 163 279 385 109 281 345 139 276 356 239 339 259 304 104 101 816 705 397 671 342 914 587 394 396 398 338 213 504 163 303 399 131 217 183 204 346 217 264 157 339 341 144 110 276 167 182 305 1741 myo-inositol 730022 85:113.0 86:491.0 87:31.0 88:19.0 89:298.0 90:43.0 95:6.0 99:170.0 100:411.0 101:320.0 102:164.0 103:3399.0 104:366.0 105:2.0 107:22.0 108:49.0 109:262.0 111:243.0 112:149.0 113:176.0 114:90.0 115:187.0 116:296.0 117:1042.0 118:228.0 119:212.0 121:1.0 123:6.0 124:38.0 125:22.0 126:73.0 127:67.0 128:163.0 129:4240.0 130:611.0 131:1566.0 132:262.0 133:3203.0 134:572.0 135:421.0 136:43.0 138:92.0 139:9.0 140:9.0 142:100.0 143:992.0 144:486.0 145:176.0 147:12285.0 148:1910.0 149:1382.0 150:114.0 151:150.0 152:3.0 153:80.0 154:28.0 155:134.0 157:450.0 158:183.0 159:71.0 161:161.0 162:19.0 165:22.0 168:8.0 169:204.0 170:123.0 171:159.0 172:11.0 173:59.0 174:708.0 175:214.0 177:312.0 178:31.0 179:9.0 181:23.0 182:233.0 183:125.0 184:165.0 185:64.0 189:488.0 190:276.0 191:5177.0 192:982.0 193:356.0 194:65.0 196:54.0 197:732.0 198:524.0 199:90.0 200:284.0 201:47.0 203:128.0 204:1900.0 205:544.0 206:210.0 207:117.0 208:190.0 209:44.0 210:51.0 211:40.0 212:15.0 214:11.0 215:101.0 216:5.0 217:8834.0 218:1837.0 219:969.0 220:74.0 221:785.0 222:165.0 223:125.0 224:40.0 226:190.0 227:115.0 228:140.0 229:48.0 230:117.0 231:157.0 232:21.0 233:1.0 236:4.0 239:56.0 240:36.0 241:98.0 242:8.0 243:275.0 244:82.0 245:10.0 246:20.0 254:17.0 255:20.0 256:6.0 257:11.0 264:22.0 265:1345.0 266:233.0 267:22.0 268:55.0 271:46.0 272:45.0 274:3.0 279:20.0 289:1.0 291:437.0 292:80.0 293:120.0 297:3.0 298:227.0 299:108.0 301:104.0 303:79.0 305:5040.0 306:1576.0 307:694.0 308:57.0 309:60.0 312:9.0 316:7.0 317:110.0 318:2317.0 319:848.0 320:390.0 321:73.0 322:29.0 324:10.0 327:4.0 330:51.0 331:6.0 332:17.0 343:14.0 353:16.0 354:55.0 360:1.0 367:360.0 368:76.0 369:43.0 371:3.0 373:39.0 374:49.0 379:15.0 382:80.0 385:33.0 393:92.0 394:22.0 395:3.0 403:4.0 404:4.0 405:15.0 412:14.0 418:12.0 420:32.0 422:3.0 432:284.0 433:196.0 434:130.0 437:1.0 442:52.0 443:101.0 445:21.0 446:5.0 448:2.0 455:30.0 456:22.0 458:46.0 464:5.0 478:1.0 483:6.0 C00137 892 532706 512537 362183 680487 397239 452485 659832 511546 509475 316121 485588 312708 282470 303937 313318 266022 348484 370101 312982 296084 191522 346805 308547 344712 284866 257630 258888 343348 292081 364561 281256 428429 387192 290813 295835 428167 489259 424320 505587 328605 396624 277486 276837 363763 266810 288066 280922 347238 307364 278571 294209 287955 224645 289847 293431 225230 246179 305802 274239 218902 262664 223022 320523 493132 308912 335159 346314 287410 503389 320598 420967 322655 297361 311285 261793 317703 311901 201750 499452 379817 236094 252832 372843 237119 273408 276218 303548 294265 277464 265161 292721 332204 381164 278213 128 1689 methionine sulfoxide 605401 85:190.0 86:166.0 87:115.0 88:218.0 89:228.0 90:246.0 91:507.0 93:268.0 95:100.0 96:21.0 97:18.0 98:97.0 99:117.0 100:2102.0 101:139.0 102:866.0 103:1736.0 104:167.0 107:262.0 109:20.0 112:159.0 113:5.0 114:774.0 115:220.0 116:152.0 117:80.0 118:107.0 119:358.0 120:67.0 121:90.0 123:130.0 124:16.0 125:4.0 128:17068.0 129:2443.0 130:1288.0 131:524.0 132:237.0 133:525.0 134:149.0 135:137.0 136:133.0 137:7.0 140:32.0 141:71.0 143:42.0 144:169.0 146:215.0 147:2779.0 148:370.0 149:166.0 156:10.0 158:92.0 159:61.0 160:626.0 161:158.0 162:118.0 163:66.0 164:30.0 165:116.0 167:71.0 171:65.0 172:305.0 173:141.0 174:3243.0 175:494.0 176:373.0 179:1.0 180:12.0 182:16.0 183:10.0 184:238.0 185:67.0 187:10.0 188:398.0 189:155.0 190:113.0 191:21.0 195:74.0 198:18.0 200:99.0 201:19.0 202:513.0 203:36.0 204:99.0 205:9.0 207:21.0 211:56.0 212:4.0 216:20.0 217:2.0 218:956.0 219:684.0 220:240.0 221:1.0 224:14.0 225:44.0 229:22.0 230:45.0 231:4.0 232:55.0 234:22.0 239:1.0 241:9.0 246:138.0 248:212.0 250:347.0 251:31.0 258:24.0 261:13.0 263:24.0 264:1449.0 265:318.0 266:204.0 267:68.0 271:40.0 276:132.0 278:270.0 279:96.0 283:15.0 291:24.0 295:19.0 298:8.0 299:1.0 300:18.0 301:36.0 314:17.0 315:56.0 316:12.0 317:2.0 323:6.0 328:36.0 329:4.0 336:3.0 346:13.0 352:63.0 358:35.0 363:3.0 366:3.0 367:18.0 372:6.0 376:11.0 381:84.0 392:12.0 410:42.0 414:9.0 416:28.0 419:7.0 434:18.0 438:4.0 444:10.0 459:1.0 468:9.0 471:19.0 477:18.0 479:18.0 485:52.0 487:19.0 C02989 158980 842 777 754 666 967 376 668 593 737 961 889 1212 607 1088 1914 774 724 743 1062 604 1178 612 940 864 1145 920 1238 1085 595 687 864 640 908 1027 888 755 1149 838 749 863 682 850 414 766 968 708 486 626 703 714 859 713 767 661 967 494 585 873 750 554 799 1270 713 631 635 1206 452 1326 843 832 640 455 1062 839 785 537 687 462 657 565 671 765 268 740 743 705 480 807 1043 871 904 940 673 611 176 45 methionine 483560 86:209.0 87:157.0 88:89.0 92:28.0 96:49.0 98:179.0 100:943.0 101:113.0 102:175.0 103:199.0 104:109.0 105:441.0 107:31.0 114:409.0 115:107.0 117:136.0 118:21.0 122:14.0 128:6524.0 129:603.0 130:496.0 131:1184.0 132:354.0 134:118.0 144:59.0 145:49.0 146:97.0 147:486.0 148:243.0 149:200.0 151:51.0 159:53.0 160:202.0 161:47.0 162:43.0 163:30.0 164:16.0 172:30.0 174:90.0 175:14.0 176:5168.0 177:722.0 178:375.0 179:63.0 181:18.0 184:26.0 187:28.0 188:179.0 189:50.0 192:17.0 195:32.0 200:36.0 202:297.0 203:128.0 204:26.0 206:36.0 218:197.0 219:341.0 220:144.0 221:12.0 232:121.0 243:25.0 250:223.0 251:39.0 252:28.0 257:15.0 266:26.0 270:19.0 277:18.0 278:32.0 279:13.0 285:24.0 292:16.0 293:161.0 295:33.0 301:18.0 305:14.0 307:18.0 308:14.0 322:26.0 331:18.0 351:27.0 357:13.0 375:33.0 462:14.0 477:15.0 C00073 6137 843 1790 1719 1862 2212 1656 1220 2320 2069 1043 1546 1601 1011 1070 1686 433 1782 1086 853 734 1411 2057 2975 620 2097 620 1797 461 356 1641 738 1391 1553 984 1661 440 1342 1406 1749 1053 864 945 1565 1799 657 1477 1048 510 676 754 966 1360 1004 1187 1355 1411 564 747 694 391 1487 986 405 1234 1109 653 919 671 509 1621 764 811 799 916 841 953 641 2511 1843 612 874 1560 1325 912 1106 1314 402 1514 567 628 931 1181 1220 949 205 70 mannose 645856 85:142.0 89:1499.0 90:197.0 97:127.0 100:159.0 101:419.0 103:3780.0 104:287.0 105:648.0 112:23.0 113:305.0 114:520.0 115:388.0 116:86.0 117:2228.0 118:207.0 119:568.0 124:18.0 125:22.0 129:3108.0 131:511.0 133:1928.0 134:567.0 135:210.0 141:65.0 143:275.0 144:234.0 147:7354.0 150:205.0 152:14.0 157:1447.0 158:309.0 159:104.0 160:3213.0 161:172.0 162:117.0 163:130.0 164:22.0 167:7.0 169:89.0 170:14.0 173:88.0 175:60.0 177:42.0 182:15.0 184:29.0 186:52.0 187:26.0 189:515.0 190:188.0 191:219.0 192:43.0 196:14.0 201:144.0 202:39.0 203:32.0 205:3704.0 206:597.0 207:409.0 209:33.0 211:114.0 214:12.0 215:50.0 216:172.0 217:1691.0 218:443.0 219:113.0 220:43.0 221:176.0 222:41.0 223:24.0 226:16.0 228:22.0 229:373.0 230:9.0 232:50.0 234:78.0 235:30.0 241:19.0 242:23.0 244:89.0 248:25.0 254:20.0 257:21.0 259:30.0 260:22.0 262:50.0 271:51.0 291:138.0 292:49.0 305:37.0 306:15.0 307:39.0 318:47.0 319:1902.0 320:541.0 322:17.0 372:13.0 476:16.0 C00159 18950 79629 72124 108290 114101 64590 70660 69988 79505 103241 49978 51813 119861 151742 141112 179187 142089 122751 131855 113486 134548 112807 163622 236616 122253 138283 148352 139305 133585 78342 146072 159428 156767 149880 145465 252543 109680 56227 75971 58000 149955 138380 138442 157706 130643 56312 97264 125539 103032 124028 95569 89599 81783 88124 98347 93353 65413 93146 65747 94705 75897 86308 70535 83409 46517 64410 50208 39357 58457 46516 76634 83919 99680 86614 77362 78301 102872 82847 79735 50547 86645 88644 76829 102626 106820 97036 88992 92167 102908 90208 59160 91269 98006 89477 81815 319 17883 mannitol 663215 85:280.0 86:2716.0 87:721.0 88:266.0 89:1849.0 91:31.0 95:7.0 97:242.0 98:55.0 99:127.0 100:1461.0 101:1171.0 102:291.0 103:12462.0 104:1201.0 105:191.0 107:139.0 110:19.0 111:65.0 113:144.0 117:8049.0 118:875.0 119:270.0 126:61.0 129:5251.0 130:900.0 131:1576.0 132:222.0 133:2932.0 134:10.0 135:38.0 139:22.0 141:117.0 143:628.0 144:294.0 145:408.0 147:17101.0 148:2774.0 149:1503.0 150:187.0 151:43.0 152:43.0 153:192.0 154:5147.0 155:1097.0 157:4179.0 158:580.0 159:448.0 160:49.0 161:201.0 162:51.0 163:434.0 164:180.0 165:135.0 166:80.0 167:88.0 168:75.0 169:121.0 170:54.0 172:68.0 173:123.0 174:5597.0 175:2184.0 176:976.0 177:203.0 179:153.0 180:68.0 181:4.0 182:41.0 183:465.0 184:81.0 185:31.0 187:41.0 189:1783.0 190:468.0 191:1527.0 192:202.0 193:165.0 195:45.0 201:123.0 203:206.0 204:843.0 205:8806.0 206:1511.0 207:564.0 208:21.0 210:9.0 215:71.0 217:7501.0 218:1752.0 219:787.0 220:66.0 221:363.0 222:84.0 226:39.0 227:6.0 229:1161.0 230:420.0 231:497.0 232:72.0 233:64.0 238:182.0 239:95.0 240:37.0 241:2.0 243:40.0 244:37.0 245:19.0 247:42.0 248:12.0 249:14.0 250:106.0 251:19.0 252:44.0 254:729.0 255:511.0 256:92.0 257:192.0 258:74.0 259:135.0 260:69.0 261:14.0 262:33.0 264:48.0 265:136.0 266:32.0 268:21.0 270:2.0 275:17.0 277:384.0 278:141.0 279:110.0 280:1.0 281:36.0 282:16.0 289:9.0 291:460.0 292:84.0 293:133.0 294:24.0 299:50.0 302:9.0 304:44.0 305:433.0 306:174.0 307:1250.0 308:411.0 309:163.0 313:57.0 318:20.0 319:6548.0 320:1903.0 321:937.0 322:86.0 323:124.0 324:2.0 325:34.0 328:50.0 330:62.0 331:263.0 332:31.0 333:11.0 339:101.0 341:60.0 345:312.0 346:14.0 347:14.0 353:20.0 354:9.0 356:103.0 357:18.0 358:8.0 368:4.0 370:17.0 374:4.0 378:14.0 385:12.0 387:14.0 391:11.0 408:12.0 409:4.0 416:3.0 419:40.0 420:54.0 421:92.0 422:48.0 432:13.0 433:8.0 440:2.0 455:13.0 461:18.0 466:7.0 489:24.0 492:3.0 C00392 6251 12650 20218 25717 21771 15572 19680 27041 9004 24892 12048 19046 8668 15676 7636 17444 9225 12995 13318 14531 7064 6838 12278 24551 7220 16592 7920 13965 9352 12755 17788 12239 82130 16862 9385 22198 7505 15338 23390 21428 9516 12803 10019 13666 12650 13271 1704 9650 13383 11633 13637 7202 8958 6162 11171 10208 9161 9073 7620 9415 10839 9076 7172 11329 14458 26518 10799 9283 13535 14014 26675 10133 12777 10404 7641 8864 11091 10900 15645 18770 8323 6429 8147 12496 9952 13166 9604 8183 20230 12268 9370 6878 8920 22343 6464 204 1979 maltose 946601 85:18.0 86:40.0 87:38.0 89:640.0 90:50.0 94:3.0 95:51.0 96:226.0 97:52.0 98:60.0 99:10.0 100:262.0 101:31.0 102:157.0 103:2571.0 104:171.0 105:231.0 108:7.0 109:86.0 111:17.0 112:13.0 113:130.0 114:62.0 116:82.0 117:1560.0 118:98.0 119:98.0 125:5.0 127:10.0 128:39.0 129:1849.0 130:331.0 131:223.0 132:24.0 133:813.0 134:81.0 140:25.0 141:77.0 142:107.0 143:428.0 145:58.0 147:3256.0 148:427.0 149:324.0 150:26.0 151:72.0 153:172.0 154:645.0 155:415.0 156:509.0 157:424.0 158:111.0 159:44.0 160:636.0 161:170.0 162:19.0 163:205.0 164:29.0 165:12.0 167:23.0 168:29.0 169:1498.0 170:149.0 171:74.0 173:51.0 174:285.0 175:35.0 177:64.0 179:112.0 180:55.0 183:16.0 184:2.0 185:19.0 189:468.0 190:38.0 191:829.0 192:158.0 193:141.0 195:14.0 198:67.0 199:25.0 201:40.0 203:320.0 204:4249.0 205:1631.0 206:496.0 208:114.0 210:84.0 212:27.0 213:4.0 215:9.0 216:59.0 217:2396.0 218:581.0 219:223.0 220:68.0 221:182.0 222:39.0 224:3.0 225:17.0 226:21.0 229:144.0 230:46.0 231:198.0 232:58.0 233:75.0 234:9.0 235:1.0 239:35.0 240:58.0 241:13.0 242:16.0 243:478.0 244:130.0 245:97.0 246:25.0 247:96.0 248:12.0 250:47.0 253:12.0 254:8.0 255:2.0 256:5.0 257:34.0 259:48.0 262:31.0 267:41.0 268:121.0 270:12.0 271:435.0 272:78.0 273:36.0 274:7.0 276:31.0 277:35.0 279:21.0 281:38.0 283:32.0 287:14.0 293:2.0 295:3.0 300:85.0 301:6.0 304:12.0 305:57.0 306:8.0 311:4.0 312:28.0 316:2.0 317:32.0 319:490.0 320:177.0 321:32.0 322:21.0 325:25.0 327:37.0 329:34.0 331:120.0 332:35.0 344:21.0 345:23.0 355:21.0 356:47.0 360:65.0 361:2593.0 362:908.0 363:420.0 364:61.0 365:43.0 366:24.0 368:5.0 370:6.0 375:15.0 378:8.0 379:19.0 383:1.0 388:12.0 390:30.0 391:7.0 398:50.0 400:33.0 401:44.0 415:58.0 420:25.0 423:9.0 426:1.0 451:20.0 453:2.0 477:8.0 480:84.0 481:2.0 482:8.0 486:18.0 494:39.0 495:20.0 C00208 439186 675 208 391 303 399 261 385 198 384 311 197 192 307 322 253 261 209 3276 251 172 309 483 229 200 288 280 266 497 148 201 249 227 456 2009 252 251 240 391 401 327 450 335 487 347 273 416 412 501 725 344 221 236 135 603 161 181 178 291 190 141 243 184 170 277 283 252 158 261 413 282 346 260 304 158 216 287 182 261 250 123 287 223 273 239 224 232 210 422 767 150 236 289 123 176 233 16918 malonic acid 305372 85:1026.0 86:1326.0 87:4220.0 88:2045.0 89:1145.0 90:185.0 91:256.0 93:120.0 94:177.0 95:78.0 96:135.0 97:304.0 98:370.0 99:12693.0 100:1810.0 101:5145.0 102:1329.0 103:2418.0 104:448.0 105:1540.0 107:59.0 108:167.0 109:3011.0 110:122.0 111:448.0 113:89.0 114:57.0 115:3728.0 116:2072.0 117:4257.0 118:696.0 119:863.0 120:61.0 122:131.0 124:104.0 126:90.0 127:206.0 130:370.0 131:7673.0 132:1197.0 133:10893.0 134:756.0 135:718.0 136:26.0 142:19.0 143:6135.0 144:614.0 145:238.0 146:486.0 147:256882.0 148:37671.0 149:20906.0 150:2075.0 151:512.0 152:667.0 153:174.0 154:3657.0 155:354.0 156:78.0 157:42.0 158:10.0 159:166.0 160:46.0 161:186.0 162:240.0 168:1714.0 169:758.0 173:694.0 174:243.0 175:5.0 185:67.0 186:4.0 189:1119.0 190:126.0 191:99.0 198:3.0 199:41.0 204:316.0 206:66.0 217:1244.0 218:176.0 219:84.0 226:10.0 232:9.0 233:9551.0 234:1502.0 235:769.0 236:103.0 248:1145.0 249:203.0 250:117.0 251:13.0 262:30.0 295:1.0 303:2.0 317:19.0 348:18.0 367:16.0 379:10.0 410:4.0 452:5.0 462:9.0 500:10.0 C00383 867 79 86 36 71 95 142 76 61 104 95 83 161 146 184 58 149 80 74 147 68 173 50 38 83 67 119 85 163 156 85 41 113 75 91 71 92 98 133 90 159 182 155 79 71 135 139 86 82 75 102 82 115 82 19 161 144 86 117 75 190 107 111 77 134 64 37 58 134 130 51 31 311 135 133 70 92 87 11 54 89 123 103 149 76 93 62 99 36 58 93 89 107 76 78 233 1391 malic acid 463180 85:66.0 87:316.0 88:106.0 89:148.0 90:42.0 95:37.0 99:129.0 101:4462.0 102:488.0 103:641.0 104:93.0 105:294.0 115:533.0 116:432.0 117:2305.0 118:259.0 119:501.0 120:70.0 121:62.0 124:21.0 129:385.0 131:1945.0 132:129.0 133:6850.0 134:1075.0 135:667.0 136:51.0 137:33.0 139:20.0 142:41.0 143:745.0 144:107.0 145:145.0 147:21089.0 148:2969.0 149:2528.0 150:99.0 151:286.0 153:24.0 158:12.0 159:29.0 163:56.0 171:746.0 172:65.0 173:152.0 174:39.0 175:1710.0 176:253.0 177:569.0 178:101.0 185:29.0 189:1905.0 190:1476.0 191:1353.0 192:105.0 193:115.0 203:199.0 204:80.0 205:117.0 206:14.0 207:77.0 217:657.0 219:91.0 220:35.0 221:361.0 222:30.0 226:29.0 233:2954.0 234:575.0 235:253.0 236:55.0 245:1680.0 246:276.0 247:169.0 251:18.0 259:16.0 260:68.0 263:317.0 264:135.0 265:542.0 266:32.0 267:81.0 268:33.0 274:13.0 286:17.0 291:28.0 305:75.0 306:146.0 307:460.0 308:93.0 309:61.0 312:12.0 319:144.0 320:48.0 321:21.0 324:26.0 335:201.0 336:131.0 337:48.0 342:19.0 344:33.0 348:21.0 352:19.0 353:20.0 355:17.0 366:24.0 368:29.0 369:15.0 371:25.0 377:16.0 380:20.0 395:9.0 411:23.0 413:12.0 415:19.0 416:19.0 423:31.0 427:13.0 443:17.0 447:16.0 454:16.0 455:15.0 456:33.0 464:16.0 466:14.0 473:12.0 474:15.0 499:28.0 C00711 525 129 87 86 149 146 89 87 38 128 158 78 197 150 156 178 208 193 271 205 202 311 224 122 219 185 178 179 126 173 146 150 173 144 155 143 200 137 96 169 96 228 174 114 156 167 381 167 138 172 112 154 130 185 172 135 159 150 190 233 146 174 206 218 122 139 109 126 123 131 70 93 168 167 207 190 153 146 146 77 159 190 152 212 163 163 131 158 156 174 105 191 244 152 217 217 85112 lyxose 541086 85:155.0 87:455.0 88:330.0 89:5647.0 90:390.0 94:48.0 96:79.0 99:377.0 100:2717.0 101:1492.0 102:600.0 103:35832.0 104:3052.0 105:1929.0 106:120.0 107:53.0 109:17.0 110:80.0 111:85.0 112:138.0 113:332.0 114:254.0 115:274.0 116:415.0 117:4160.0 118:270.0 119:534.0 121:96.0 126:187.0 127:203.0 128:129.0 129:3451.0 130:540.0 131:1760.0 133:4326.0 134:544.0 135:414.0 138:29.0 139:23.0 142:121.0 143:604.0 144:104.0 145:265.0 147:11644.0 148:1756.0 149:1176.0 150:87.0 151:52.0 156:52.0 157:285.0 158:127.0 159:146.0 160:2057.0 161:643.0 163:462.0 164:37.0 168:76.0 169:18.0 170:49.0 172:127.0 173:143.0 174:252.0 175:328.0 177:107.0 178:40.0 180:19.0 182:10.0 184:92.0 185:19.0 187:38.0 188:27.0 189:3312.0 190:546.0 191:972.0 197:13.0 198:41.0 200:81.0 201:64.0 202:13.0 203:105.0 204:825.0 205:1247.0 206:291.0 207:180.0 209:21.0 211:40.0 212:29.0 214:84.0 215:32.0 216:70.0 217:13018.0 218:2358.0 219:1336.0 221:178.0 225:22.0 227:35.0 229:54.0 230:64.0 231:147.0 232:101.0 233:691.0 234:215.0 235:110.0 236:35.0 237:35.0 238:26.0 240:36.0 243:43.0 244:23.0 248:66.0 249:43.0 250:47.0 251:18.0 252:22.0 256:40.0 258:21.0 262:190.0 263:16.0 264:31.0 274:38.0 277:628.0 278:197.0 279:156.0 280:60.0 281:33.0 282:13.0 287:25.0 289:19.0 291:16.0 292:48.0 293:37.0 301:26.0 302:18.0 305:37.0 306:30.0 307:3419.0 308:869.0 309:420.0 310:70.0 312:20.0 317:15.0 320:20.0 324:25.0 328:36.0 329:44.0 337:16.0 338:16.0 343:14.0 344:12.0 345:20.0 347:18.0 348:23.0 354:22.0 356:22.0 368:21.0 373:27.0 374:19.0 375:14.0 376:16.0 377:26.0 380:28.0 381:21.0 385:21.0 386:38.0 387:27.0 388:13.0 389:26.0 390:12.0 393:15.0 396:34.0 402:19.0 404:13.0 407:23.0 408:20.0 419:29.0 421:14.0 424:31.0 425:14.0 428:31.0 433:19.0 438:19.0 439:25.0 450:16.0 452:25.0 467:33.0 469:13.0 471:30.0 487:14.0 489:45.0 492:13.0 493:22.0 498:16.0 500:21.0 C00476 439240 2977 1677 1876 1291 4535 1103 2046 1421 1480 865 3348 1353 1031 2505 1935 2897 2093 2482 1139 3736 1909 511 948 2555 2250 2440 2850 3483 2605 3166 578 3407 415 2029 881 2861 1940 881 1682 2704 3241 2888 3701 3210 819 2368 2727 514 2489 803 1621 2126 570 2120 770 522 491 1844 1957 2807 1813 433 2477 863 809 951 1703 1094 4977 1995 1087 2758 2193 1993 5497 2698 2106 2419 1922 1885 1989 3059 3206 2245 1860 2636 2341 3636 1849 893 1896 1966 1742 3594 217 233 lyxitol 573587 85:649.0 86:59.0 87:142.0 88:75.0 89:607.0 95:25.0 97:25.0 99:247.0 100:57.0 101:550.0 102:92.0 103:6136.0 104:480.0 105:198.0 106:44.0 111:98.0 112:73.0 113:193.0 114:48.0 115:140.0 116:225.0 117:3144.0 118:289.0 119:258.0 120:15.0 127:102.0 129:2235.0 130:260.0 131:777.0 133:1341.0 134:87.0 135:42.0 141:89.0 143:195.0 144:16.0 145:61.0 147:6082.0 148:964.0 149:538.0 150:39.0 151:43.0 157:231.0 158:21.0 160:137.0 177:54.0 189:540.0 190:85.0 191:309.0 203:174.0 204:488.0 205:1376.0 206:216.0 207:96.0 217:3703.0 218:809.0 219:291.0 220:32.0 221:109.0 225:17.0 226:17.0 231:27.0 233:18.0 243:85.0 244:50.0 258:24.0 261:22.0 265:13.0 267:18.0 277:132.0 278:58.0 279:41.0 280:13.0 287:16.0 289:17.0 306:27.0 307:408.0 308:138.0 309:59.0 319:290.0 320:103.0 321:74.0 358:14.0 372:24.0 C00532 439255 129002 124499 135212 142128 92540 114298 132119 189856 96354 73638 90463 63642 86926 59624 116875 84925 75088 96856 98084 54654 46042 82456 86161 65515 76745 63416 82889 77366 75647 105775 83206 72128 136393 46825 113014 70492 79722 119313 114045 61577 79916 80787 90167 97807 84142 57760 103198 77520 66589 96032 40224 75681 45549 57572 72722 49747 57456 97987 55977 112076 69994 45388 58164 77535 52324 48323 74288 86059 108634 137588 72083 114983 83443 71400 53530 73491 75045 61119 98650 53715 48931 71045 120097 70171 81492 53065 68434 140172 60587 92480 53692 59742 29832 45397 156 12 lysine 663483 85:2755.0 86:29130.0 87:3786.0 88:12077.0 89:1291.0 90:709.0 92:136.0 93:103.0 94:668.0 95:313.0 96:506.0 97:609.0 98:2819.0 99:1955.0 100:31497.0 101:4429.0 102:7671.0 103:3645.0 104:565.0 105:379.0 106:83.0 107:97.0 108:128.0 109:134.0 110:753.0 111:416.0 112:6522.0 113:2018.0 114:7116.0 115:10574.0 116:3465.0 117:4929.0 118:1028.0 119:900.0 120:191.0 121:127.0 123:145.0 124:606.0 125:212.0 126:2585.0 127:890.0 128:26290.0 129:4466.0 130:10847.0 131:6738.0 132:4508.0 133:6149.0 134:1147.0 135:446.0 136:164.0 137:87.0 138:490.0 139:364.0 140:4779.0 141:959.0 142:2987.0 143:733.0 144:945.0 145:366.0 146:4631.0 147:19359.0 148:3405.0 149:2181.0 150:370.0 151:803.0 152:303.0 153:342.0 154:12756.0 155:4130.0 156:76791.0 157:11196.0 158:4511.0 159:694.0 160:1657.0 161:389.0 162:279.0 163:194.0 164:207.0 165:79.0 166:971.0 167:543.0 168:665.0 169:235.0 170:669.0 171:213.0 172:2443.0 173:538.0 174:56553.0 175:9869.0 176:4416.0 177:481.0 178:80.0 179:20.0 180:41.0 181:86.0 182:316.0 183:184.0 184:486.0 185:201.0 186:1848.0 187:494.0 188:654.0 189:497.0 190:228.0 191:1071.0 192:171.0 193:95.0 196:57.0 198:177.0 199:144.0 200:4730.0 201:916.0 202:1665.0 203:494.0 204:290.0 205:118.0 206:87.0 207:45.0 212:365.0 213:404.0 214:1612.0 215:693.0 216:761.0 217:481.0 218:2436.0 219:842.0 220:589.0 221:357.0 222:91.0 223:85.0 224:57.0 225:87.0 226:147.0 227:253.0 228:3361.0 229:965.0 230:9677.0 231:2065.0 232:926.0 233:166.0 234:84.0 235:45.0 236:25.0 237:33.0 238:339.0 239:231.0 240:411.0 241:153.0 242:132.0 243:169.0 244:261.0 245:108.0 246:149.0 247:62.0 248:108.0 249:44.0 250:50.0 252:44.0 253:45.0 254:1013.0 255:485.0 256:307.0 257:183.0 258:311.0 259:140.0 260:184.0 261:68.0 262:81.0 266:91.0 267:49.0 269:68.0 271:69.0 272:363.0 273:584.0 274:308.0 275:95.0 276:49.0 285:15.0 286:23.0 288:52.0 289:58.0 291:32.0 292:18.0 295:17.0 299:46.0 300:27.0 301:76.0 302:142.0 303:70.0 304:99.0 305:35.0 314:22.0 315:52.0 316:163.0 317:9077.0 318:3043.0 319:1317.0 320:285.0 321:73.0 322:19.0 326:18.0 327:34.0 328:63.0 329:762.0 330:344.0 331:155.0 332:56.0 334:20.0 335:20.0 337:28.0 338:20.0 343:19.0 346:16.0 347:42.0 349:20.0 351:18.0 352:15.0 353:17.0 354:22.0 356:91.0 358:26.0 361:25.0 362:33.0 363:32.0 365:20.0 366:23.0 367:29.0 368:14.0 369:34.0 371:31.0 372:23.0 373:22.0 374:31.0 376:27.0 377:24.0 382:23.0 384:22.0 385:22.0 391:133.0 392:93.0 393:29.0 395:17.0 397:25.0 398:16.0 401:21.0 406:23.0 408:14.0 409:19.0 416:16.0 417:14.0 418:40.0 419:156.0 420:97.0 422:18.0 423:30.0 424:15.0 425:15.0 427:23.0 432:30.0 433:63.0 434:524.0 435:309.0 436:172.0 437:60.0 438:30.0 441:28.0 443:12.0 446:23.0 447:26.0 449:14.0 450:20.0 451:22.0 452:31.0 455:19.0 457:30.0 458:22.0 459:18.0 461:20.0 463:15.0 464:21.0 465:13.0 467:39.0 468:12.0 469:30.0 473:16.0 476:20.0 482:14.0 484:28.0 485:18.0 491:18.0 493:21.0 494:13.0 C00047 5962 64104 60611 80487 62235 53763 53956 72791 56344 72375 51731 63751 35601 35757 36362 46281 24627 29881 23025 33477 26877 29725 37480 70306 36140 38430 11454 38906 29556 25512 23424 33938 34153 35657 52764 32557 40414 72075 67692 62290 31348 32329 39630 30463 39289 49343 25878 35943 52740 40790 32590 42336 40170 36102 34575 39427 27871 40389 31948 38913 24309 34931 43722 37035 51130 59240 47039 37058 52428 48842 44635 56157 25349 33420 34571 45788 33912 30431 44207 69462 31735 35557 34789 29694 32531 59294 49318 44424 42837 44841 37992 25041 36147 31426 37323 150 165 linoleic acid 777414 85:1534.0 86:470.0 87:386.0 88:244.0 89:1256.0 90:176.0 91:6885.0 92:1525.0 93:8654.0 94:6153.0 95:14372.0 96:7918.0 97:3896.0 98:518.0 99:829.0 100:115.0 101:441.0 102:166.0 103:421.0 104:436.0 105:2615.0 106:995.0 107:4482.0 108:3591.0 109:5935.0 110:3865.0 111:1556.0 112:178.0 113:194.0 115:385.0 116:1903.0 117:9875.0 118:1041.0 119:1844.0 120:836.0 121:4850.0 122:2280.0 123:2389.0 124:1664.0 125:673.0 126:42.0 127:232.0 128:199.0 129:13385.0 130:1387.0 131:4194.0 132:1042.0 133:1290.0 134:413.0 135:4167.0 136:2766.0 137:1121.0 138:862.0 139:465.0 140:86.0 141:177.0 142:150.0 143:1084.0 144:165.0 145:1654.0 146:352.0 147:623.0 148:351.0 149:2323.0 150:3479.0 151:868.0 152:405.0 153:252.0 155:283.0 156:152.0 157:540.0 158:129.0 159:621.0 160:135.0 161:262.0 162:59.0 163:1049.0 164:1507.0 165:445.0 166:242.0 167:200.0 168:67.0 169:258.0 170:152.0 171:422.0 172:159.0 173:692.0 174:134.0 175:42.0 176:40.0 177:531.0 178:1897.0 179:358.0 180:74.0 181:164.0 183:292.0 184:118.0 185:304.0 186:110.0 187:539.0 188:97.0 189:23.0 190:39.0 191:266.0 192:184.0 193:88.0 195:45.0 196:38.0 197:91.0 198:69.0 199:336.0 201:311.0 202:78.0 203:20.0 205:146.0 206:99.0 207:54.0 208:60.0 209:75.0 211:64.0 213:134.0 214:34.0 215:218.0 216:58.0 218:48.0 219:22.0 220:632.0 221:168.0 224:25.0 225:53.0 226:39.0 227:123.0 228:25.0 229:121.0 230:15.0 233:58.0 234:246.0 235:67.0 239:71.0 241:83.0 242:26.0 243:69.0 244:45.0 245:41.0 246:28.0 253:62.0 254:43.0 255:28.0 257:28.0 260:16.0 261:77.0 262:1657.0 263:366.0 270:13.0 271:26.0 274:35.0 282:34.0 283:24.0 289:15.0 290:62.0 312:28.0 319:22.0 336:90.0 337:1947.0 338:619.0 352:40.0 353:20.0 354:22.0 363:15.0 364:30.0 373:14.0 378:18.0 382:21.0 389:13.0 395:24.0 398:12.0 406:19.0 412:19.0 421:15.0 426:17.0 429:23.0 430:20.0 432:13.0 439:21.0 440:17.0 442:16.0 448:30.0 450:22.0 466:20.0 471:18.0 472:28.0 477:16.0 482:14.0 496:14.0 C01595 5280450 224 141 115 116 322 124 225 149 149 319 119 105 132 102 130 188 145 536 157 137 207 161 152 167 104 250 119 183 172 122 164 181 180 356 62 142 100 197 172 113 176 134 105 99 209 178 82 102 87 98 134 125 169 155 196 120 204 140 94 143 133 138 145 442 226 159 126 151 268 94 128 105 166 113 109 101 129 93 143 228 196 138 194 151 102 145 98 125 216 121 185 182 204 147 158 1794 leucine 345845 86:1186.0 91:1133.0 94:62.0 97:1860.0 98:2022.0 99:683.0 100:12586.0 101:4444.0 102:32478.0 104:6759.0 105:3088.0 107:2866.0 108:496.0 109:4719.0 111:327.0 113:1591.0 114:423.0 115:2890.0 116:9750.0 117:645.0 119:20827.0 120:3522.0 121:13548.0 122:1551.0 123:10368.0 124:1092.0 128:3884.0 129:571.0 130:3830.0 132:523.0 133:190410.0 134:12073.0 135:57164.0 136:2921.0 137:40880.0 138:3944.0 139:5217.0 140:1655.0 141:166.0 142:4192.0 143:2016.0 147:12.0 150:2573.0 153:4491.0 154:38.0 155:1312.0 156:2488.0 157:2096.0 158:302270.0 159:44711.0 160:14889.0 161:3240.0 162:909.0 163:4917.0 164:1684.0 165:11749.0 166:4207.0 167:24115.0 168:3364.0 169:3701.0 170:4122.0 171:2843.0 172:1618.0 173:2177.0 176:3732.0 178:1349.0 179:7277.0 180:4833.0 181:64443.0 182:10285.0 183:22752.0 184:2406.0 185:1379.0 186:948.0 187:1238.0 188:1756.0 189:5141.0 190:2667.0 191:44146.0 192:1978.0 193:95445.0 194:8811.0 195:26061.0 196:4647.0 197:8910.0 198:3704.0 199:2703.0 200:1213.0 201:2059.0 202:3030.0 203:2672.0 204:2304.0 205:13092.0 206:3786.0 207:66746.0 208:12271.0 209:13413.0 210:7411.0 211:290047.0 212:37548.0 213:18955.0 214:3102.0 215:1873.0 216:824.0 217:506.0 218:11956.0 219:4716.0 220:1924.0 221:4247.0 222:1451.0 223:2595.0 224:861.0 225:56041.0 226:12961.0 227:19278.0 228:1759.0 229:2154.0 230:564.0 231:868.0 232:15350.0 233:4654.0 234:1790.0 235:1133.0 236:310.0 237:1748.0 238:1023.0 239:3059.0 240:805.0 241:671.0 242:159.0 244:755.0 245:447.0 246:744.0 247:189.0 248:362.0 249:220.0 250:467.0 251:774.0 252:1631.0 253:10227.0 254:3922.0 255:9048.0 256:2685.0 257:1654.0 258:71.0 259:943.0 260:3692.0 261:1249.0 262:235.0 263:657.0 264:213.0 266:372.0 267:9494.0 268:6102.0 269:14249.0 270:5542.0 271:418.0 272:1628.0 273:838.0 274:285.0 275:450.0 276:528.0 277:628.0 279:394.0 280:222.0 281:64.0 282:341.0 283:51277.0 284:17145.0 285:5815.0 286:1132.0 287:174.0 289:854.0 290:205.0 291:347.0 292:181.0 293:236.0 294:344.0 295:18.0 296:907.0 297:665.0 298:15496.0 299:456383.0 300:110054.0 301:61789.0 302:14983.0 303:5340.0 304:606.0 305:2408.0 306:1592.0 307:2406.0 308:2105.0 309:1767.0 310:1653.0 311:598.0 312:1260.0 313:7094.0 314:221935.0 315:50554.0 316:23916.0 317:4570.0 318:967.0 319:28.0 320:67.0 322:162.0 333:33.0 334:182.0 335:33.0 348:118.0 349:125.0 359:159.0 361:454.0 373:642.0 374:460.0 375:23.0 377:57.0 379:2.0 386:57.0 390:248.0 391:37.0 410:12.0 420:41.0 437:155.0 447:339.0 449:21.0 454:4.0 461:20.0 462:20.0 C00123 6106 52690 56797 53495 40659 66308 30339 23544 85122 85300 32427 49068 45176 51623 42551 76403 26140 56953 29736 36547 41887 48370 53408 82336 31124 75528 22095 52914 11483 29013 35425 49145 50744 44969 74747 64128 52999 56659 48347 28259 43991 41916 61254 38739 41959 40785 31253 60711 30907 24782 32123 42793 40297 33444 27953 29783 25196 22315 7753 31555 12105 43362 60140 42409 38427 23873 46318 43214 31955 39957 46624 53413 24182 34952 41605 33032 37878 24226 47223 48756 32807 33677 42937 27055 28525 42044 44027 13143 35380 25952 42659 33634 62300 41152 27399 117 49 lauric acid 547906 85:168.0 86:141.0 87:101.0 89:291.0 93:60.0 95:377.0 96:145.0 97:251.0 98:244.0 101:191.0 104:48.0 105:176.0 109:155.0 111:88.0 115:37.0 116:428.0 117:7512.0 118:665.0 119:226.0 120:42.0 122:42.0 129:2879.0 130:369.0 131:1222.0 132:1823.0 133:146.0 134:55.0 139:64.0 143:180.0 145:762.0 146:42.0 147:217.0 153:16.0 154:30.0 157:84.0 160:63.0 169:49.0 171:95.0 176:32.0 179:30.0 185:98.0 186:22.0 187:100.0 201:77.0 202:43.0 215:71.0 232:37.0 233:29.0 245:67.0 249:19.0 253:12.0 256:32.0 257:1156.0 258:137.0 269:48.0 272:35.0 273:24.0 286:16.0 350:23.0 389:23.0 393:27.0 412:26.0 417:29.0 426:21.0 436:21.0 442:29.0 444:44.0 451:21.0 457:30.0 459:32.0 461:33.0 464:14.0 473:19.0 490:25.0 495:40.0 496:35.0 C02679 3893 4624 4067 4904 6989 6240 5031 2792 2748 4021 5920 2865 3327 4380 4468 3289 3312 4487 2702 4847 4114 4783 4333 2693 3569 3854 5452 2913 3406 6092 3349 2715 4438 3380 3195 1832 5037 5989 10786 4779 4029 4621 4657 4474 2566 10892 5420 2357 2491 2245 3093 3831 3160 3590 2908 3115 4066 2812 3003 5765 4044 5854 3978 3645 5258 6020 4356 3843 4372 5895 12507 4452 2875 5080 4369 2878 4353 3546 3638 1651 4219 4870 4420 4621 2627 2606 2266 4432 2617 3408 3478 3565 4632 3365 2834 204 6432 lactulose 929908 85:15.0 86:83.0 89:320.0 93:71.0 96:35.0 99:179.0 100:35.0 101:517.0 103:2907.0 104:50.0 105:154.0 109:103.0 113:221.0 114:90.0 115:12.0 116:235.0 117:787.0 118:124.0 124:47.0 126:14.0 129:3378.0 130:406.0 131:445.0 133:426.0 134:88.0 136:23.0 137:31.0 139:22.0 141:191.0 143:655.0 144:48.0 145:261.0 147:4074.0 148:387.0 149:168.0 150:56.0 153:61.0 155:144.0 156:88.0 157:219.0 158:34.0 159:34.0 161:51.0 162:42.0 163:276.0 164:10.0 165:73.0 167:70.0 168:35.0 169:1317.0 170:103.0 172:99.0 173:19.0 174:4.0 175:63.0 177:85.0 178:72.0 180:242.0 181:449.0 182:138.0 183:138.0 184:24.0 185:31.0 188:41.0 189:798.0 190:172.0 191:2818.0 192:581.0 193:307.0 194:116.0 195:51.0 196:57.0 197:76.0 199:53.0 203:114.0 204:10246.0 205:2139.0 206:990.0 207:267.0 208:215.0 209:272.0 211:77.0 212:32.0 215:60.0 217:2347.0 218:573.0 219:261.0 220:25.0 222:119.0 224:11.0 227:117.0 229:80.0 230:98.0 231:56.0 232:155.0 233:196.0 234:30.0 237:54.0 240:77.0 241:39.0 242:20.0 243:592.0 244:179.0 245:245.0 246:115.0 247:60.0 248:25.0 249:41.0 251:133.0 253:15.0 254:96.0 255:12.0 256:35.0 257:199.0 258:37.0 259:148.0 260:6.0 261:14.0 263:51.0 265:29.0 266:10.0 267:26.0 269:21.0 270:65.0 271:369.0 272:65.0 273:60.0 275:19.0 279:6.0 280:3.0 281:362.0 283:113.0 285:227.0 286:72.0 287:23.0 290:20.0 291:107.0 292:107.0 293:31.0 301:15.0 303:63.0 304:39.0 305:220.0 306:101.0 307:67.0 314:23.0 315:29.0 317:72.0 318:16.0 319:64.0 320:55.0 323:44.0 324:11.0 325:119.0 326:9.0 327:44.0 328:24.0 329:19.0 331:53.0 333:75.0 334:5.0 335:9.0 336:24.0 338:1.0 339:20.0 341:213.0 342:117.0 345:43.0 346:20.0 347:51.0 351:1.0 355:76.0 356:5.0 357:48.0 359:39.0 360:25.0 361:1224.0 362:513.0 363:244.0 368:3.0 373:1.0 375:134.0 376:48.0 385:98.0 387:6.0 388:33.0 403:11.0 407:36.0 409:27.0 416:40.0 418:1.0 422:10.0 425:24.0 429:39.0 431:59.0 433:25.0 451:46.0 461:27.0 462:5.0 475:36.0 476:8.0 477:7.0 491:25.0 C07064 11333 198 286 264 292 246 287 316 284 644 356 183 208 211 310 237 269 286 357 278 181 511 290 265 530 356 315 267 275 242 211 230 176 258 280 291 351 351 322 416 183 287 681 303 191 290 511 389 271 939 168 154 251 136 226 292 202 245 248 229 505 265 148 219 247 249 161 143 225 475 216 221 251 274 236 190 261 260 262 285 233 274 202 297 276 195 287 213 294 245 218 300 368 187 226 191 80 lactic acid 217657 85:8684.0 86:6573.0 87:72227.0 88:111565.0 89:22391.0 90:1554.0 91:2622.0 92:778.0 93:502.0 94:4760.0 95:1164.0 96:739.0 97:892.0 98:246.0 99:4891.0 100:2372.0 101:61750.0 102:48891.0 103:46949.0 104:6822.0 105:17397.0 106:1817.0 107:2274.0 108:297.0 109:91.0 111:450.0 113:4576.0 114:1039.0 115:35415.0 116:15880.0 117:1091636.0 118:122979.0 119:56962.0 120:3499.0 121:613.0 126:206.0 127:1515.0 128:232.0 129:21595.0 130:2560.0 131:73022.0 132:12571.0 133:150112.0 134:23790.0 135:12422.0 136:1035.0 137:319.0 141:59.0 143:703.0 144:379.0 145:1599.0 146:1603.0 147:1233845.0 148:206049.0 149:109315.0 150:10259.0 151:1388.0 159:535.0 161:458.0 162:131.0 163:508.0 164:179.0 167:62.0 170:79.0 171:131.0 172:124.0 173:211.0 175:8086.0 176:1623.0 177:440.0 180:153.0 181:108.0 182:125.0 183:84.0 184:1130.0 185:407.0 186:223.0 187:68.0 188:179.0 189:308.0 190:122494.0 191:195244.0 192:43519.0 193:16179.0 194:1913.0 195:299.0 196:58.0 203:6144.0 204:1185.0 205:467.0 206:152.0 207:160.0 208:134.0 209:142.0 211:171.0 212:129.0 214:35.0 217:659.0 218:304.0 219:43925.0 220:8054.0 221:3693.0 222:384.0 223:113.0 227:50.0 231:26.0 233:188.0 239:54.0 240:82.0 241:90.0 243:54.0 245:37.0 246:66.0 247:151.0 248:86.0 251:57.0 252:72.0 255:78.0 258:43.0 259:64.0 260:10.0 261:69.0 263:74.0 265:105.0 266:36.0 267:120.0 268:79.0 269:53.0 270:54.0 272:51.0 274:55.0 276:12.0 278:89.0 280:107.0 281:146.0 282:99.0 283:61.0 284:76.0 285:69.0 287:47.0 290:58.0 291:70.0 292:65.0 293:81.0 295:71.0 299:107.0 300:77.0 305:70.0 307:98.0 309:67.0 312:50.0 313:86.0 314:73.0 315:86.0 317:80.0 318:45.0 319:86.0 321:31.0 322:58.0 323:91.0 324:88.0 325:90.0 326:67.0 327:87.0 329:88.0 334:40.0 335:60.0 337:75.0 338:77.0 342:93.0 343:72.0 345:69.0 346:101.0 347:63.0 348:101.0 349:62.0 350:96.0 352:95.0 353:57.0 356:62.0 357:42.0 362:89.0 363:60.0 364:36.0 365:78.0 366:76.0 367:64.0 368:45.0 371:46.0 372:84.0 373:71.0 375:56.0 376:94.0 380:41.0 382:65.0 383:40.0 384:63.0 385:74.0 387:90.0 388:11.0 389:71.0 390:27.0 392:37.0 393:38.0 394:9.0 395:62.0 396:80.0 398:44.0 400:22.0 402:42.0 403:66.0 405:84.0 407:69.0 408:46.0 409:72.0 411:61.0 412:42.0 413:8.0 414:27.0 416:57.0 417:72.0 418:61.0 419:57.0 420:71.0 421:83.0 425:77.0 426:36.0 427:72.0 428:67.0 431:69.0 433:99.0 434:90.0 435:22.0 436:72.0 439:58.0 440:47.0 442:55.0 444:77.0 447:79.0 449:57.0 451:58.0 452:82.0 453:65.0 454:26.0 456:80.0 457:46.0 458:58.0 459:89.0 460:46.0 463:78.0 466:51.0 467:57.0 469:65.0 470:40.0 472:49.0 473:25.0 474:70.0 476:64.0 477:13.0 478:94.0 480:69.0 481:62.0 482:64.0 483:42.0 485:69.0 486:83.0 490:47.0 491:78.0 493:76.0 494:26.0 495:85.0 496:86.0 500:27.0 C01432 612 286947 299362 637224 344184 349552 274361 226627 243864 864161 239147 234285 352022 150298 431944 189120 445751 520175 460980 445557 350625 434556 406016 399689 361285 391089 481669 321450 280352 308419 464426 305879 345713 423187 339076 391670 379852 478769 240178 233148 323862 341353 330344 430016 375718 362360 394992 352920 286797 300374 335654 272091 268688 379684 348051 353572 373212 374005 342606 365108 408703 324732 280816 322578 195105 126652 299185 302519 514247 248773 915286 300479 327133 245487 335690 267569 379565 308809 323487 191614 366084 350940 359593 508538 28804 310319 319850 332684 297772 293580 371172 293704 342661 376138 317135 232 415 lactamide 265698 85:1749.0 87:1762.0 89:31131.0 90:2897.0 91:1945.0 92:184.0 94:441.0 95:287.0 97:1518.0 98:396.0 99:628.0 100:51033.0 101:14200.0 102:5426.0 105:918.0 106:175.0 107:253.0 109:199.0 111:174.0 114:3184.0 115:2023.0 116:1645.0 117:30102.0 118:3480.0 119:2258.0 120:148.0 121:163.0 123:194.0 124:623.0 125:101.0 126:730.0 128:628.0 129:423.0 130:2586.0 136:194.0 137:92.0 140:32.0 141:54.0 144:2161.0 145:390.0 147:8890.0 151:572.0 153:61.0 156:15.0 158:1103.0 159:213.0 163:1095.0 164:72.0 165:186.0 168:31.0 169:199.0 170:80.0 172:93.0 173:190.0 175:251.0 177:106.0 178:68.0 179:177.0 181:82.0 183:37.0 186:119.0 188:1259.0 189:361.0 190:3313.0 191:2908.0 192:787.0 193:560.0 194:110.0 195:43.0 200:170.0 201:75.0 202:64.0 203:104.0 204:571.0 208:38.0 209:23.0 210:24.0 215:30.0 216:219.0 217:385.0 218:117.0 219:107.0 228:31.0 230:47.0 231:38.0 232:9768.0 233:1998.0 234:820.0 244:20.0 248:4919.0 249:1028.0 250:480.0 251:341.0 252:90.0 258:53.0 263:449.0 264:84.0 267:1470.0 268:359.0 269:224.0 271:36.0 273:23.0 303:21.0 311:32.0 312:16.0 324:25.0 330:32.0 351:26.0 355:236.0 357:150.0 376:17.0 381:15.0 405:30.0 409:32.0 427:21.0 442:26.0 447:17.0 448:19.0 450:32.0 453:19.0 456:18.0 458:13.0 468:19.0 475:26.0 477:55.0 479:26.0 481:21.0 483:41.0 496:15.0 499:16.0 0 94220 340 368 465 381 460 392 351 176 288 449 283 265 324 380 391 348 405 292 510 694 423 858 966 331 395 367 387 601 649 707 563 495 535 641 724 758 378 431 379 547 919 652 471 404 489 380 281 349 324 301 207 303 417 455 288 208 370 377 413 459 291 304 191 358 253 339 420 487 406 532 333 643 527 657 450 747 690 614 356 735 767 732 868 653 623 673 817 211 393 415 604 269 789 269 147 101725 itaconic acid 386511 92:53.0 94:44.0 95:223.0 96:124.0 97:3511.0 98:1385.0 101:481.0 103:529.0 104:70.0 105:199.0 111:73.0 112:51.0 113:132.0 115:136.0 116:86.0 118:39.0 119:269.0 120:15.0 122:569.0 123:35.0 125:60.0 126:53.0 127:28.0 131:790.0 132:78.0 133:1425.0 135:116.0 140:253.0 141:906.0 142:427.0 143:125.0 144:23.0 145:19.0 146:82.0 147:38445.0 148:6215.0 149:3614.0 151:19.0 155:64.0 156:81.0 157:185.0 159:50.0 160:27.0 170:24.0 173:97.0 187:261.0 202:68.0 215:1190.0 230:254.0 259:1290.0 260:43.0 416:14.0 C00490 811 3296 2909 4137 810 3176 5319 3192 3754 3582 3179 2440 2675 6821 6536 4618 2242 4563 4471 7236 5891 2063 2794 1164 3047 2267 1800 2768 2429 2773 3056 2407 2542 5340 1345 1896 2328 2746 4168 3521 2509 2311 2992 2178 3092 3971 2612 3300 5949 5231 4935 9131 3726 2861 3564 853 3469 1436 2327 7707 2144 1363 1805 2172 3227 515 2672 3621 2688 4559 2566 3862 2954 1970 2154 3304 2672 2567 3033 2382 3887 3835 6080 4456 2286 3646 2181 2991 3071 7611 2691 6910 2245 4305 4446 292 1679 isothreonic acid 489385 85:304.0 86:391.0 88:631.0 89:4158.0 90:414.0 91:179.0 92:233.0 93:215.0 94:45.0 96:145.0 97:116.0 98:15.0 99:816.0 100:110.0 101:2762.0 102:21122.0 103:20966.0 104:2634.0 105:1408.0 106:64.0 107:560.0 108:290.0 109:71.0 110:395.0 111:105.0 113:1032.0 114:253.0 115:1508.0 116:877.0 117:33848.0 118:3267.0 119:2907.0 120:140.0 121:96.0 122:8.0 124:18.0 125:13.0 127:531.0 128:50.0 129:6995.0 130:17816.0 131:9728.0 132:2127.0 133:13693.0 134:2261.0 135:1252.0 136:37.0 137:70.0 141:279.0 143:5323.0 144:512.0 145:511.0 146:508.0 147:89541.0 148:14484.0 149:8621.0 150:1069.0 151:554.0 152:43.0 153:93.0 154:4.0 155:7.0 157:903.0 159:246.0 161:501.0 162:71.0 163:1006.0 164:236.0 165:241.0 166:13.0 167:3.0 168:40.0 169:26.0 170:89.0 172:176.0 173:230.0 175:799.0 176:118.0 177:3522.0 178:628.0 179:286.0 180:26.0 181:74.0 185:128.0 186:51.0 187:91.0 188:52.0 189:4147.0 190:923.0 191:1643.0 192:325.0 193:329.0 194:77.0 195:56.0 199:88.0 200:80.0 201:125.0 202:1.0 203:1318.0 204:2518.0 205:17229.0 206:3365.0 207:2844.0 208:477.0 209:217.0 210:57.0 211:49.0 212:26.0 213:1.0 215:166.0 216:68.0 217:14540.0 218:2990.0 219:1780.0 220:18784.0 221:7856.0 222:2654.0 223:859.0 224:149.0 225:56.0 226:73.0 229:1.0 230:18.0 231:282.0 232:47.0 233:93.0 234:31.0 235:42.0 237:190.0 238:29.0 239:10.0 243:2.0 244:29.0 245:1906.0 246:476.0 247:394.0 248:48.0 249:40.0 251:6.0 252:11.0 253:11.0 255:6.0 257:1.0 262:17.0 263:57.0 265:42.0 267:123.0 268:27.0 270:12.0 276:37.0 277:610.0 278:168.0 279:84.0 281:28.0 283:114.0 290:42.0 291:2248.0 292:22023.0 293:6532.0 294:3129.0 295:766.0 296:201.0 297:48.0 300:12.0 305:306.0 306:53.0 307:114.0 309:3.0 312:27.0 313:2.0 319:1701.0 320:478.0 321:327.0 322:69.0 323:68.0 325:132.0 328:1.0 334:26.0 339:20.0 341:97.0 342:22.0 343:12.0 347:2.0 349:1.0 351:1.0 354:22.0 355:72.0 356:1.0 361:7.0 364:30.0 370:1.0 371:73.0 372:66.0 373:46.0 379:358.0 380:187.0 381:71.0 382:9.0 390:2.0 400:4.0 408:17.0 409:469.0 410:241.0 411:68.0 412:15.0 418:19.0 419:1.0 427:17.0 431:24.0 448:47.0 450:22.0 467:17.0 468:1.0 472:23.0 475:13.0 480:2.0 492:6.0 C00639 5280363 50698 35967 64364 31823 35165 35609 51645 50802 39176 28274 37786 21886 32036 27553 41161 25107 31927 32739 31641 21384 18452 31208 42441 26547 29066 25516 34406 33727 27586 33898 30961 21170 43485 19817 45876 21069 26196 38663 38764 24065 25545 25205 39505 33714 27359 21930 29441 32136 22288 32133 18561 27210 18632 23895 28486 21873 21873 23095 27645 27465 19768 15950 23827 28222 18554 16421 19028 35032 32347 38984 27169 36769 30069 23328 20938 27399 26377 22867 33951 30892 22739 23065 25037 28202 21164 22771 29698 50255 23898 28089 21223 24716 11107 19647 158 15 isoleucine 359251 85:1549.0 86:3001.0 87:645.0 88:285.0 89:271.0 90:580.0 91:64.0 92:52.0 95:58.0 96:323.0 97:189.0 98:829.0 99:977.0 100:9875.0 101:1414.0 102:3456.0 103:1535.0 104:311.0 105:134.0 111:127.0 112:440.0 113:373.0 114:1505.0 115:765.0 116:651.0 118:274.0 119:292.0 121:53.0 123:27.0 126:183.0 128:1693.0 129:920.0 130:964.0 131:1559.0 132:2068.0 133:2024.0 135:106.0 142:989.0 143:511.0 144:398.0 145:30.0 146:574.0 147:8578.0 148:1508.0 149:662.0 156:373.0 157:197.0 158:52381.0 159:6934.0 160:2388.0 161:185.0 163:238.0 164:66.0 170:687.0 172:61.0 173:85.0 176:60.0 177:63.0 203:328.0 216:73.0 218:7253.0 219:1298.0 220:481.0 221:49.0 230:56.0 232:1531.0 233:402.0 234:118.0 236:15.0 241:39.0 246:59.0 260:235.0 261:90.0 262:28.0 280:11.0 304:35.0 313:31.0 333:17.0 341:27.0 382:28.0 396:22.0 398:26.0 405:17.0 421:16.0 458:22.0 468:21.0 C00407 6306 17436 20890 22752 21507 33042 15640 14091 16559 29734 13895 11073 13315 14027 15192 26672 11182 14077 10830 12137 15275 18155 18185 23126 14923 23789 8970 22390 11463 10462 13551 15810 23539 14200 20881 20036 21480 21335 19841 17417 18360 16809 19632 15587 13445 15683 13032 16454 13270 10899 14097 14113 19054 12184 11940 13443 11982 9321 10289 11548 10006 17829 20355 10259 19175 10317 19865 20326 14359 15392 14325 17476 7529 11593 15743 12676 16048 8781 15642 17385 10953 13598 18366 18792 13432 15589 13295 11892 13501 13523 13408 12898 19880 17982 13611 245 32122 isocitric acid 617338 85:2447.0 86:626.0 87:1258.0 88:847.0 89:1234.0 90:260.0 91:1069.0 92:228.0 93:230.0 94:47.0 95:3308.0 97:857.0 98:490.0 99:1992.0 100:157.0 101:1347.0 102:1246.0 103:1778.0 104:706.0 105:2996.0 106:205.0 107:136.0 108:170.0 109:137.0 110:130.0 111:512.0 112:175.0 113:5118.0 114:643.0 115:1659.0 116:2844.0 117:4523.0 118:958.0 119:1389.0 120:194.0 121:151.0 122:61.0 123:48.0 124:33.0 125:32.0 126:207.0 127:455.0 128:1061.0 129:8781.0 130:1499.0 131:5965.0 132:1274.0 133:13764.0 134:2004.0 135:1730.0 136:140.0 137:178.0 138:112.0 139:1319.0 140:225.0 141:1013.0 142:474.0 143:7404.0 144:997.0 145:826.0 146:288.0 147:82302.0 148:12684.0 149:11040.0 150:1911.0 151:1030.0 152:1.0 153:99.0 155:587.0 156:717.0 157:4605.0 158:496.0 159:442.0 161:749.0 162:465.0 163:469.0 164:98.0 165:92.0 167:46.0 168:24.0 169:687.0 170:327.0 171:1074.0 172:329.0 173:420.0 174:238.0 175:270.0 176:200.0 177:1600.0 178:329.0 179:144.0 180:66.0 182:91.0 183:754.0 184:748.0 185:1037.0 186:488.0 187:474.0 188:22.0 189:980.0 190:595.0 191:3442.0 192:815.0 193:527.0 194:83.0 196:126.0 197:17.0 198:130.0 199:100.0 200:58.0 201:500.0 202:198.0 203:1270.0 204:3303.0 205:1157.0 206:864.0 207:1098.0 208:403.0 209:135.0 210:91.0 211:5676.0 212:1726.0 213:2294.0 214:425.0 215:778.0 216:346.0 217:2705.0 218:630.0 219:755.0 220:109.0 221:3263.0 222:1081.0 223:560.0 224:295.0 225:25.0 226:65.0 227:75.0 228:20.0 229:769.0 230:481.0 231:768.0 232:568.0 233:440.0 234:44.0 237:74.0 238:13.0 239:14.0 240:45.0 241:11.0 243:330.0 244:261.0 245:19651.0 246:5118.0 247:2148.0 248:411.0 249:117.0 250:50.0 251:12.0 253:49.0 254:12.0 255:42.0 257:1685.0 258:865.0 259:1198.0 260:471.0 261:428.0 262:131.0 263:72.0 264:9.0 265:318.0 266:112.0 267:16.0 268:7.0 270:13.0 271:16.0 272:1087.0 274:6395.0 275:3019.0 276:877.0 277:112.0 278:80.0 279:25.0 280:37.0 281:8.0 282:15.0 285:2058.0 286:644.0 287:774.0 288:95.0 289:113.0 291:261.0 292:124.0 293:144.0 299:22.0 301:295.0 302:148.0 303:1170.0 304:495.0 305:1141.0 306:739.0 307:449.0 308:235.0 309:133.0 314:3.0 316:11.0 317:41.0 318:551.0 319:6962.0 320:2893.0 321:1502.0 322:327.0 323:162.0 324:109.0 325:19.0 326:27.0 327:10.0 328:16.0 330:17.0 331:230.0 332:170.0 333:341.0 334:385.0 335:255.0 336:114.0 337:27.0 340:55.0 341:39.0 344:8.0 346:375.0 347:4639.0 348:2088.0 349:1294.0 350:258.0 351:30.0 352:37.0 353:35.0 354:5.0 356:70.0 357:35.0 361:20.0 362:599.0 363:2499.0 364:1410.0 365:840.0 366:240.0 367:22.0 370:7.0 371:36.0 372:4.0 373:80.0 374:764.0 375:4411.0 376:2590.0 377:1167.0 378:300.0 381:11.0 382:10.0 383:13.0 384:13.0 385:7.0 387:64.0 389:62.0 390:587.0 391:222.0 392:60.0 394:31.0 397:4.0 398:30.0 399:18.0 400:37.0 401:51.0 403:21.0 404:11.0 406:35.0 407:1.0 418:20.0 419:43.0 420:7.0 425:15.0 430:15.0 431:16.0 432:31.0 433:2.0 435:28.0 436:25.0 437:46.0 448:5.0 453:3.0 454:15.0 464:201.0 465:1345.0 466:1028.0 467:720.0 468:236.0 469:104.0 473:14.0 474:8.0 480:45.0 481:15.0 482:11.0 490:15.0 C00451 5318532 2856 3523 3570 458 5688 243 1934 201 7423 1758 3314 1392 3609 1556 5072 1640 2173 4183 2967 2537 1927 3452 4817 3399 2973 2145 3380 3293 3356 3624 4483 1374 4143 5347 3277 3399 5022 4027 2472 1229 2090 1913 1754 3017 1011 2660 3381 4607 2568 2177 4970 3282 2243 2271 2279 3594 3598 2843 3978 2755 2911 2354 4374 5313 2058 1243 2179 4341 2676 3871 1480 6190 2587 2979 3655 3704 5076 2952 2868 2379 4266 1592 1205 3086 3145 2391 3462 5005 3113 2352 2495 3692 2231 5414 315 4759 inositol-4-monophosphate 845976 100:40.0 104:35.0 107:57.0 113:34.0 117:5.0 128:7.0 129:318.0 133:192.0 137:66.0 142:185.0 143:288.0 144:3.0 147:3716.0 148:705.0 150:3.0 151:84.0 153:82.0 155:66.0 156:40.0 158:31.0 159:5.0 163:11.0 164:91.0 166:55.0 167:35.0 168:65.0 169:49.0 173:33.0 177:50.0 178:26.0 180:12.0 181:79.0 182:9.0 183:29.0 189:11.0 190:133.0 191:543.0 192:52.0 194:70.0 195:10.0 196:25.0 201:25.0 207:133.0 209:68.0 211:490.0 212:79.0 213:19.0 214:48.0 215:71.0 216:35.0 217:1170.0 218:327.0 221:126.0 222:38.0 224:15.0 225:180.0 226:7.0 227:127.0 228:39.0 229:66.0 230:193.0 231:29.0 236:58.0 237:49.0 239:45.0 240:38.0 241:5.0 243:323.0 244:15.0 245:84.0 246:139.0 253:20.0 254:6.0 255:162.0 256:81.0 258:39.0 261:24.0 264:18.0 265:118.0 266:36.0 268:3.0 269:26.0 270:53.0 272:9.0 273:1.0 274:6.0 277:7.0 278:7.0 281:72.0 282:31.0 283:37.0 285:79.0 286:47.0 287:27.0 288:15.0 289:13.0 291:49.0 292:24.0 293:18.0 294:13.0 295:23.0 297:52.0 298:63.0 299:2637.0 300:834.0 301:353.0 302:86.0 303:23.0 304:53.0 305:215.0 306:40.0 307:48.0 308:38.0 309:6.0 313:82.0 314:62.0 315:2011.0 316:590.0 317:361.0 318:2102.0 319:684.0 320:271.0 321:104.0 322:25.0 324:14.0 325:15.0 329:11.0 330:26.0 331:31.0 332:15.0 333:13.0 334:23.0 340:5.0 341:30.0 342:50.0 343:182.0 344:98.0 345:138.0 346:41.0 347:34.0 348:24.0 349:19.0 352:23.0 354:6.0 355:70.0 356:46.0 357:79.0 358:31.0 359:31.0 360:38.0 367:12.0 368:6.0 369:54.0 370:10.0 371:3.0 372:18.0 373:114.0 374:72.0 375:71.0 383:10.0 385:24.0 386:86.0 387:796.0 388:329.0 389:501.0 390:208.0 391:142.0 392:43.0 393:5.0 394:12.0 398:15.0 401:15.0 406:6.0 407:10.0 409:6.0 416:42.0 417:33.0 418:59.0 419:49.0 420:27.0 424:24.0 426:3.0 429:69.0 430:44.0 431:34.0 432:116.0 433:163.0 434:65.0 435:66.0 436:17.0 440:22.0 441:25.0 442:9.0 443:30.0 445:9.0 446:34.0 448:35.0 450:37.0 451:27.0 453:12.0 454:21.0 455:31.0 456:23.0 457:22.0 459:13.0 460:20.0 462:23.0 465:6.0 466:7.0 467:13.0 468:14.0 470:109.0 471:68.0 472:53.0 475:15.0 476:7.0 480:24.0 483:3.0 486:6.0 489:10.0 492:13.0 493:7.0 494:14.0 500:7.0 C03546 440043 115 98 187 96 134 122 105 60 67 134 99 129 95 146 78 156 155 148 166 90 139 95 92 92 76 146 103 80 142 80 172 106 91 78 88 86 85 120 203 132 128 150 141 164 131 136 95 126 122 72 156 168 191 102 103 187 120 171 81 205 76 130 148 92 54 81 94 72 137 70 94 83 104 183 207 171 168 89 109 110 179 99 100 109 160 102 151 157 134 206 126 52 98 103 230 1728 inosine 897184 85:163.0 86:64.0 97:4.0 99:41.0 101:305.0 103:1289.0 106:14.0 111:59.0 113:48.0 115:238.0 116:92.0 117:269.0 129:3413.0 130:316.0 131:520.0 134:189.0 142:6.0 143:110.0 144:7.0 145:89.0 147:473.0 153:24.0 157:39.0 163:23.0 166:12.0 169:201.0 171:4.0 174:37.0 189:2.0 193:773.0 194:49.0 195:1.0 201:420.0 202:29.0 203:3.0 204:4.0 207:213.0 209:266.0 215:14.0 216:5.0 217:1674.0 218:322.0 219:156.0 230:1148.0 231:201.0 232:66.0 237:443.0 238:38.0 243:386.0 244:46.0 245:926.0 246:111.0 247:45.0 249:5.0 257:44.0 258:89.0 259:388.0 260:88.0 265:82.0 267:41.0 280:118.0 281:542.0 282:67.0 283:36.0 299:68.0 307:66.0 309:6.0 319:11.0 323:53.0 338:6.0 348:10.0 353:7.0 386:20.0 395:3.0 409:5.0 434:14.0 448:17.0 451:12.0 462:9.0 485:10.0 498:5.0 C00294 6021 163 203 211 113 238 139 245 109 167 186 170 82 170 118 273 124 124 286 132 163 153 204 235 243 130 221 199 223 153 257 193 85 111 155 108 183 294 201 320 137 124 105 132 158 118 363 295 359 193 170 179 154 109 155 154 288 267 196 259 203 204 168 197 190 132 130 175 189 193 200 118 335 160 212 172 253 123 111 125 143 174 156 91 178 186 97 248 184 188 75 155 253 190 222 265 1663 hypoxanthine 619128 85:17650.0 86:12163.0 87:3151.0 88:967.0 89:1497.0 90:1362.0 91:1011.0 92:2327.0 93:2705.0 94:2109.0 95:8249.0 96:4731.0 97:4274.0 98:10523.0 99:10631.0 100:18705.0 101:4328.0 102:2856.0 103:1825.0 104:825.0 105:732.0 106:877.0 107:1246.0 108:1010.0 109:1929.0 110:7804.0 111:16720.0 112:8157.0 113:3184.0 114:2386.0 115:2768.0 116:1782.0 117:3672.0 118:1096.0 119:3047.0 120:887.0 121:1152.0 122:1601.0 123:7675.0 124:5924.0 125:27347.0 126:4669.0 127:1631.0 128:4687.0 129:757.0 130:3064.0 131:18005.0 132:5577.0 133:6437.0 134:1529.0 135:1034.0 136:2233.0 137:1880.0 138:8120.0 139:6776.0 140:1825.0 141:1929.0 142:12534.0 143:3438.0 144:1712.0 145:493.0 146:711.0 147:19727.0 148:4999.0 149:2359.0 150:4433.0 151:2592.0 152:7155.0 153:4871.0 154:2331.0 155:1643.0 156:2287.0 157:2149.0 158:22398.0 159:5210.0 160:2267.0 161:502.0 162:394.0 163:1842.0 164:1604.0 165:5114.0 166:21893.0 167:4343.0 168:2152.0 169:1875.0 170:2814.0 171:2433.0 172:25772.0 173:12314.0 174:8155.0 175:2628.0 176:1019.0 177:4304.0 178:1275.0 179:2286.0 180:8006.0 181:23910.0 182:4922.0 183:2543.0 184:916.0 185:769.0 186:465.0 187:209.0 188:189.0 189:326.0 190:187.0 191:7629.0 192:5425.0 193:30133.0 194:5220.0 195:2554.0 196:864.0 197:3961.0 198:1176.0 199:496.0 200:988.0 201:248.0 202:221.0 204:217.0 205:1352.0 206:35628.0 207:20005.0 208:10550.0 209:2627.0 210:1084.0 211:5263.0 212:1486.0 213:820.0 214:538.0 215:156.0 216:489.0 217:174.0 218:225.0 219:297.0 220:262.0 221:828.0 222:4925.0 223:4441.0 224:3263.0 225:1129.0 226:661.0 227:351.0 228:97.0 229:195.0 230:147.0 231:207.0 232:151.0 233:193.0 234:205.0 235:2975.0 236:1563.0 237:1821.0 238:11769.0 239:5264.0 240:1756.0 241:760.0 242:212.0 243:89.0 244:140.0 247:92.0 248:185.0 249:7113.0 250:2098.0 251:1656.0 252:1217.0 253:658.0 254:322.0 255:148.0 256:80.0 257:318.0 258:415.0 259:325.0 260:58.0 261:87.0 262:19.0 263:758.0 264:1686.0 265:252895.0 266:61751.0 267:24493.0 268:4214.0 269:475.0 270:207.0 271:223.0 272:227.0 273:16.0 274:264.0 275:322.0 276:174.0 277:136.0 278:39.0 279:8482.0 280:83394.0 281:21166.0 282:8018.0 283:1374.0 284:256.0 285:53.0 286:24.0 288:20.0 292:8.0 295:2.0 296:6.0 297:44.0 298:3.0 299:123.0 302:23.0 307:16.0 309:19.0 312:47.0 313:19.0 314:10.0 315:37.0 316:36.0 318:3.0 323:6.0 326:15.0 330:75.0 331:14.0 332:11.0 334:6.0 335:10.0 337:1.0 338:11.0 341:13.0 349:23.0 350:3.0 353:2.0 357:26.0 358:20.0 361:14.0 365:12.0 366:8.0 370:30.0 374:5.0 376:44.0 377:17.0 379:9.0 396:3.0 399:1.0 406:24.0 410:1.0 417:1.0 420:111.0 421:43.0 422:7.0 428:1.0 434:1.0 436:10.0 438:6.0 440:1.0 442:12.0 447:6.0 448:10.0 451:7.0 453:4.0 457:16.0 462:11.0 466:2.0 468:29.0 486:17.0 488:2.0 492:4.0 497:1.0 C00262 790 2377 1307 2973 223 757 1144 2209 510 1706 830 2214 986 2422 693 3641 1282 2537 3862 1341 1132 1129 1711 1742 1446 1264 777 2219 643 633 2133 1837 205 2296 1485 2632 525 2332 1516 1384 533 1400 341 507 2006 723 1809 2328 2787 1293 1681 1766 1147 1258 2009 2938 1748 2994 1062 2415 2391 1289 840 1500 2608 1086 597 587 1053 1813 1867 465 3038 357 520 815 1513 2047 480 1335 1404 1674 837 421 1185 1041 485 1915 328 1946 624 881 1338 548 1642 146 4211 hydroxylamine 253158 85:497.0 86:2803.0 87:818.0 88:210.0 89:444.0 90:52.0 99:143.0 100:1769.0 101:310.0 102:90.0 103:289.0 113:392.0 114:359.0 115:278.0 116:400.0 117:769.0 118:165.0 119:4073.0 120:347.0 121:246.0 130:2689.0 131:1261.0 132:534.0 133:5379.0 134:778.0 135:325.0 140:17.0 144:46.0 145:193.0 146:4483.0 147:2330.0 148:211.0 160:124.0 161:218.0 171:38.0 172:25.0 177:32.0 178:25.0 187:27.0 188:34.0 204:99.0 205:14.0 220:16.0 238:19.0 245:26.0 249:706.0 250:159.0 365:11.0 384:23.0 426:18.0 C00192 787 6261 8630 3434 5944 10145 5949 4369 1840 6581 13340 1987 10849 13594 14076 8929 14763 13599 14603 17708 13174 19036 9491 5695 16576 12363 17410 12621 13698 15095 9713 9463 13591 10957 7468 7309 12140 4929 8835 4845 14385 12507 13023 9949 9592 9672 14756 11439 10565 16881 12198 11451 14770 14562 12807 12748 14274 13074 18500 14193 21929 12375 14036 12661 6681 7099 6523 6327 7973 7083 4758 9066 8134 11073 12842 10356 11227 12682 10652 6919 13029 13844 13295 12227 14294 11148 10234 20940 10724 19967 13506 12058 11898 14415 12562 160 4554 hexuronic acid 667373 85:209.0 86:138.0 88:682.0 89:1276.0 90:42.0 91:290.0 92:40.0 93:62.0 95:157.0 97:343.0 98:187.0 99:94.0 100:117.0 101:506.0 102:533.0 103:960.0 104:6.0 105:780.0 107:90.0 108:8.0 109:195.0 110:46.0 111:190.0 112:6.0 113:192.0 114:283.0 115:385.0 117:357.0 118:42.0 119:105.0 127:38.0 128:156.0 129:885.0 130:376.0 131:441.0 132:5.0 133:1378.0 134:249.0 135:228.0 137:19.0 141:7.0 142:42.0 143:2086.0 144:371.0 145:116.0 146:7.0 147:5275.0 148:672.0 149:566.0 150:34.0 151:11.0 152:4.0 156:37.0 157:165.0 158:103.0 159:1.0 160:6047.0 161:799.0 162:164.0 163:178.0 164:21.0 165:16.0 170:49.0 171:818.0 172:29.0 173:53.0 174:62.0 175:244.0 176:19.0 177:121.0 178:14.0 185:80.0 186:9.0 187:14.0 188:7.0 189:1288.0 190:272.0 191:437.0 192:85.0 193:22.0 200:24.0 201:31.0 202:5.0 203:30.0 204:548.0 205:494.0 206:89.0 207:146.0 212:2.0 213:72.0 214:51.0 215:52.0 216:192.0 217:1086.0 218:162.0 219:505.0 220:183.0 221:270.0 222:60.0 227:261.0 228:29.0 229:32.0 230:24.0 231:209.0 232:76.0 233:18.0 234:6.0 235:1.0 240:4.0 244:5.0 245:82.0 246:33.0 252:1.0 256:13.0 258:1.0 260:11.0 262:5.0 263:1.0 268:2.0 270:5.0 274:180.0 275:21.0 276:1.0 277:124.0 278:12.0 281:1.0 288:1.0 291:107.0 292:150.0 293:33.0 301:1.0 305:406.0 306:82.0 307:86.0 314:160.0 316:2.0 317:5.0 318:24.0 319:177.0 320:36.0 321:2.0 329:2.0 332:43.0 333:4010.0 334:1346.0 335:647.0 336:134.0 337:21.0 364:238.0 365:65.0 366:17.0 372:1.0 388:28.0 389:7.0 391:1.0 393:1.0 396:5.0 416:1.0 418:2.0 419:4.0 423:123.0 424:18.0 436:2.0 484:1.0 0 152867 3182 3219 5122 5567 2818 2676 4134 4829 3571 1944 1689 1017 1474 1234 2142 1091 1278 1217 1121 1265 1180 1921 4667 1274 1385 1294 1202 1554 1209 1417 1930 2171 1629 2752 2813 1542 3172 3517 3440 1611 1498 1509 1585 1442 2683 1119 1406 1875 1626 1489 1142 1423 1197 1494 1208 1126 1310 1213 1631 1779 1258 1094 1803 3181 1797 2182 2434 2951 2700 3709 2389 2086 1553 1122 1516 1850 735 1217 2922 1388 1203 1138 2867 1624 1314 1519 1672 2082 1650 1127 1638 1763 1125 1063 217 255 hexitol 704741 85:79.0 88:37.0 92:32.0 94:14.0 97:41.0 99:235.0 100:26.0 101:41.0 102:73.0 103:1566.0 104:206.0 105:96.0 109:97.0 110:36.0 111:111.0 112:66.0 113:39.0 114:55.0 115:112.0 116:320.0 117:397.0 118:41.0 119:91.0 127:84.0 129:2437.0 130:240.0 131:990.0 132:120.0 133:2109.0 135:188.0 136:36.0 138:15.0 141:58.0 142:51.0 143:712.0 144:95.0 146:64.0 147:9643.0 148:1032.0 149:1104.0 150:133.0 151:66.0 153:37.0 154:15.0 155:45.0 156:56.0 157:114.0 158:38.0 159:64.0 162:22.0 163:54.0 165:18.0 169:33.0 171:28.0 172:20.0 173:32.0 175:121.0 176:49.0 177:65.0 178:54.0 180:19.0 181:27.0 182:35.0 183:24.0 185:56.0 186:24.0 187:39.0 188:28.0 189:431.0 190:280.0 191:2851.0 192:494.0 193:203.0 194:46.0 195:24.0 196:20.0 199:31.0 202:25.0 203:33.0 204:2084.0 205:484.0 206:209.0 207:184.0 208:54.0 209:29.0 210:49.0 213:49.0 214:30.0 216:52.0 217:4285.0 218:777.0 219:295.0 222:73.0 223:57.0 225:24.0 228:21.0 229:8.0 230:158.0 233:26.0 235:39.0 237:36.0 243:68.0 245:37.0 246:36.0 247:35.0 248:31.0 249:20.0 250:15.0 253:24.0 255:58.0 257:49.0 258:44.0 259:29.0 262:31.0 264:36.0 265:224.0 266:50.0 267:60.0 268:28.0 269:38.0 271:33.0 278:32.0 279:39.0 280:25.0 281:34.0 282:14.0 283:18.0 285:17.0 287:71.0 289:31.0 290:18.0 291:203.0 292:92.0 293:144.0 294:16.0 297:26.0 302:38.0 304:74.0 305:2094.0 306:618.0 307:304.0 314:18.0 317:125.0 318:2595.0 319:905.0 320:416.0 321:110.0 323:29.0 324:22.0 336:25.0 338:25.0 344:38.0 353:16.0 357:21.0 360:29.0 361:29.0 362:27.0 365:15.0 367:52.0 368:39.0 373:25.0 379:31.0 381:27.0 385:15.0 386:24.0 388:23.0 393:128.0 394:66.0 400:21.0 407:31.0 414:47.0 418:36.0 419:13.0 421:18.0 426:34.0 433:58.0 437:23.0 438:24.0 439:24.0 440:21.0 442:30.0 444:25.0 448:31.0 449:48.0 451:28.0 452:18.0 456:19.0 458:26.0 459:31.0 477:24.0 478:17.0 484:34.0 487:27.0 489:20.0 491:18.0 492:17.0 495:28.0 499:13.0 C00392 453 12455 7562 8664 11813 17664 17611 40898 8115 8628 17231 12397 2044 10041 8303 10152 12873 1740 15396 10784 10618 4367 6952 18981 21095 12861 4667 5861 9911 11003 11651 8249 11230 14465 12977 6094 63029 14849 22304 26272 5163 8453 4496 6587 12594 7134 16263 4020 8732 4593 8745 3389 5241 5571 12520 13984 11336 4329 10182 4148 33502 3494 9100 13678 18646 4985 11328 21154 10615 7646 60178 16601 20030 8145 6081 6566 6480 4693 7902 10175 8126 7633 7211 43995 4497 7751 5107 9201 12446 9663 17504 1309 8560 23730 17087 117 727 heptadecanoic acid 751309 86:84.0 89:126.0 93:146.0 95:297.0 97:364.0 98:171.0 99:152.0 101:71.0 105:120.0 107:47.0 109:65.0 111:142.0 112:68.0 113:69.0 116:319.0 117:6884.0 118:515.0 119:190.0 123:26.0 125:38.0 129:2928.0 130:357.0 131:779.0 132:2003.0 133:510.0 134:126.0 141:18.0 143:248.0 145:1080.0 146:130.0 149:39.0 152:19.0 153:14.0 159:91.0 163:18.0 171:63.0 174:86.0 177:28.0 182:19.0 187:82.0 189:15.0 197:18.0 201:212.0 202:62.0 213:28.0 215:30.0 227:23.0 241:13.0 242:13.0 243:71.0 257:25.0 283:45.0 284:36.0 285:41.0 288:28.0 297:17.0 300:19.0 301:23.0 302:33.0 308:19.0 314:23.0 315:28.0 316:27.0 317:23.0 320:12.0 326:58.0 327:578.0 328:196.0 329:37.0 330:26.0 332:12.0 333:13.0 334:18.0 338:25.0 342:81.0 345:34.0 349:14.0 350:20.0 353:12.0 354:22.0 357:18.0 362:14.0 368:31.0 386:16.0 391:13.0 407:14.0 441:17.0 450:14.0 452:17.0 453:22.0 454:29.0 457:18.0 460:24.0 465:21.0 469:16.0 471:13.0 473:24.0 474:19.0 477:22.0 478:24.0 479:26.0 483:21.0 486:27.0 488:15.0 490:22.0 494:18.0 495:24.0 497:23.0 499:17.0 500:16.0 0 10465 3905 5084 2787 2949 5778 3127 3554 3234 3224 5905 3307 3076 4429 4669 2824 3433 2959 6239 4329 4346 5996 5882 2610 4534 3083 3686 2548 3431 9669 4672 5723 3682 2983 5131 2287 5070 6907 5209 4259 5691 7503 5282 7932 2191 5970 4382 2541 2292 4160 2759 4336 5304 5599 3630 2316 2920 2637 3964 2986 3122 3928 2699 3930 5077 4268 5251 3809 3990 3596 2554 4222 4244 5967 6257 4311 3942 3678 4437 3639 3153 5476 3328 3617 4079 2559 3975 3297 2654 4160 4259 5626 3795 5026 3102 177 1971 glycolic acid 227636 86:321.0 87:877.0 88:2215.0 89:1177.0 90:166.0 92:46.0 95:690.0 98:47.0 99:43.0 100:1.0 101:491.0 102:395.0 103:3236.0 104:445.0 105:759.0 106:5.0 107:431.0 110:197.0 113:123.0 114:1.0 115:778.0 116:235.0 117:2708.0 118:351.0 119:694.0 120:123.0 121:18.0 124:3.0 131:2476.0 132:305.0 133:6921.0 134:1259.0 135:297.0 144:1.0 146:382.0 147:57199.0 148:9255.0 149:5731.0 150:464.0 151:221.0 161:3331.0 162:563.0 163:245.0 164:13.0 174:12.0 175:25.0 176:44.0 177:9136.0 178:1499.0 179:744.0 180:12.0 184:100.0 186:21.0 189:5.0 190:199.0 205:5249.0 206:917.0 207:412.0 223:9.0 228:19.0 251:6.0 274:3.0 276:1.0 283:39.0 294:4.0 301:1.0 315:15.0 316:4.0 323:2.0 327:18.0 341:6.0 363:8.0 368:9.0 374:4.0 377:48.0 384:16.0 387:25.0 411:32.0 422:1.0 432:11.0 435:46.0 443:1.0 444:22.0 445:1.0 452:40.0 458:13.0 471:1.0 472:19.0 479:4.0 481:29.0 488:23.0 492:29.0 C00160 757 2041 1292 1971 1740 1416 1985 1293 1322 1823 1540 1477 5239 4959 5127 5017 4875 5082 5301 4380 3825 4758 5045 5756 5357 4997 3934 3846 3162 2552 3863 4002 3331 3821 2994 4492 3025 1507 2085 1364 4929 6779 4810 4136 3798 2369 4933 3928 3347 3186 3042 2702 3287 2578 2578 3025 2545 2428 2501 2606 3310 2730 2196 2653 1601 1355 1040 722 1544 1790 1792 2224 2853 2490 2735 2212 2706 2377 2840 1490 2828 3154 2402 2678 2459 2430 2663 3735 3870 2889 577 2601 3694 2319 2199 248 6 glycine 368707 85:2882.0 86:87494.0 87:10917.0 88:4018.0 89:822.0 92:65.0 93:42.0 94:27.0 95:426.0 96:50.0 97:67.0 99:1489.0 100:53029.0 101:10140.0 102:5892.0 103:928.0 105:1276.0 110:146.0 113:1787.0 114:44.0 115:2820.0 116:1864.0 117:12472.0 118:47.0 119:3422.0 122:40.0 123:85.0 125:63.0 129:156.0 130:9640.0 131:7466.0 132:862.0 133:31722.0 134:5661.0 135:2633.0 144:2949.0 145:349.0 146:1208.0 147:26782.0 148:8179.0 149:5445.0 158:2433.0 159:1298.0 160:2359.0 161:551.0 162:205.0 163:69.0 171:65.0 172:1683.0 174:152336.0 175:28023.0 176:12302.0 177:361.0 178:255.0 187:150.0 188:2043.0 190:449.0 191:115.0 200:60.0 202:783.0 203:236.0 204:837.0 205:85.0 218:58.0 246:286.0 248:21677.0 249:5746.0 250:2638.0 251:499.0 253:40.0 254:32.0 258:17.0 263:51.0 267:29.0 268:34.0 276:4493.0 277:408.0 278:257.0 288:36.0 292:28.0 299:12.0 304:15.0 305:20.0 318:38.0 322:24.0 326:35.0 334:37.0 341:26.0 344:23.0 345:20.0 346:12.0 356:14.0 381:30.0 417:22.0 433:16.0 440:27.0 454:22.0 458:43.0 459:16.0 461:27.0 C00037 750 2693 3429 3350 3248 4682 22438 4199 2042 2767 3280 3537 4218 4341 5559 5272 4065 5348 3254 4345 4191 9658 5810 3816 4178 4284 4304 3552 3809 3542 3357 5022 4053 4181 3355 3674 4120 3555 5174 9471 4098 3752 4008 4049 5221 3593 4156 2707 2640 3628 3404 4013 3843 3363 3506 3540 3617 2975 3890 4109 4343 3300 3471 4382 5565 5370 2682 3344 4410 3075 2921 2850 2328 2464 3385 3412 2819 3227 5201 3435 2796 3491 3481 2750 4135 3619 3042 4454 7129 1442 3743 4017 3606 3793 3488 357 1687 glycerol-alpha-phosphate 590747 85:750.0 87:846.0 88:468.0 89:1193.0 90:82.0 91:168.0 92:114.0 93:127.0 94:26.0 95:116.0 97:212.0 98:232.0 99:483.0 101:13348.0 102:1461.0 103:9463.0 104:991.0 105:689.0 106:35.0 107:239.0 108:36.0 109:51.0 111:385.0 113:2220.0 114:284.0 115:2195.0 116:2414.0 117:2066.0 118:407.0 119:755.0 120:59.0 121:349.0 122:90.0 123:101.0 125:30.0 127:73.0 129:6764.0 130:1365.0 131:6671.0 132:512.0 133:8224.0 134:1367.0 135:2622.0 136:210.0 137:734.0 138:89.0 139:7.0 141:48.0 143:79.0 145:207.0 147:13466.0 148:1827.0 149:1914.0 150:411.0 151:828.0 152:115.0 153:225.0 154:44.0 155:238.0 156:30.0 157:42.0 158:46.0 159:125.0 160:8.0 161:19.0 162:61.0 163:637.0 164:103.0 165:326.0 166:39.0 167:230.0 168:40.0 169:94.0 170:4.0 171:62.0 175:211.0 176:90.0 177:289.0 178:57.0 179:257.0 180:82.0 181:999.0 182:194.0 183:566.0 184:207.0 189:460.0 190:52.0 191:1442.0 192:315.0 193:1121.0 194:231.0 195:1137.0 196:145.0 197:518.0 199:126.0 201:3.0 202:123.0 203:1065.0 204:682.0 205:689.0 206:138.0 207:3057.0 208:603.0 209:466.0 210:145.0 211:6976.0 212:1053.0 213:701.0 216:20.0 217:432.0 218:1720.0 219:752.0 220:1206.0 221:317.0 222:39.0 224:46.0 225:1468.0 226:607.0 227:1441.0 228:299.0 229:116.0 230:11.0 231:42.0 236:43.0 237:70.0 239:44.0 240:27.0 241:1405.0 242:394.0 243:989.0 244:164.0 245:21.0 246:2.0 248:6.0 249:4.0 250:7.0 251:23.0 252:13.0 253:316.0 254:97.0 255:193.0 256:1782.0 257:228.0 258:143.0 260:22.0 263:17.0 269:309.0 270:47.0 271:11.0 272:490.0 273:59.0 274:22.0 275:22.0 276:4.0 279:1.0 280:12.0 283:423.0 284:131.0 285:1338.0 286:322.0 287:111.0 288:8.0 289:13.0 290:46.0 291:45.0 292:27.0 293:35.0 296:3.0 297:1.0 298:420.0 299:15339.0 300:4161.0 301:2204.0 302:411.0 303:61.0 304:32.0 306:6.0 307:52.0 308:24.0 311:16.0 312:16.0 313:189.0 314:697.0 315:3487.0 316:968.0 317:491.0 318:65.0 319:67.0 327:135.0 328:686.0 329:242.0 330:93.0 331:47.0 332:17.0 337:1.0 338:101.0 341:1109.0 342:424.0 343:246.0 344:53.0 345:24.0 346:36.0 347:11.0 349:43.0 350:21.0 352:26.0 353:9.0 354:1.0 355:12.0 356:210.0 357:9048.0 358:2684.0 359:1369.0 360:281.0 361:84.0 362:307.0 363:42.0 364:51.0 366:36.0 369:22.0 370:1340.0 371:371.0 372:242.0 373:738.0 374:219.0 375:92.0 376:38.0 377:16.0 378:31.0 379:3.0 386:27.0 387:892.0 388:329.0 389:449.0 390:134.0 391:73.0 392:6.0 400:2.0 401:18.0 408:52.0 410:36.0 415:60.0 417:8.0 419:13.0 422:7.0 424:2.0 426:25.0 431:40.0 444:24.0 445:1230.0 446:455.0 447:210.0 448:62.0 449:17.0 450:2.0 456:3.0 467:4.0 484:27.0 487:37.0 490:1.0 495:14.0 499:5.0 C03189 754 620 484 480 321 650 261 792 86 627 251 515 90 582 91 965 129 161 592 441 369 155 483 715 688 215 341 150 522 116 237 665 251 315 740 453 488 1519 427 945 132 110 120 312 732 327 471 332 584 377 386 794 465 872 685 790 698 1080 378 638 713 498 231 725 1052 428 482 315 423 591 368 793 1120 232 452 724 782 564 461 590 687 378 497 355 280 724 517 591 791 900 590 415 356 647 686 204 1693 glycerol-3-galactoside 805227 89:176.0 90:53.0 99:49.0 101:827.0 102:83.0 103:3126.0 104:331.0 105:191.0 109:15.0 113:33.0 115:65.0 116:293.0 117:746.0 118:35.0 119:28.0 122:1.0 123:8.0 128:61.0 129:2561.0 130:485.0 131:662.0 132:17.0 133:977.0 135:25.0 141:39.0 142:42.0 143:281.0 147:3311.0 148:255.0 149:318.0 151:50.0 155:78.0 156:127.0 157:175.0 159:38.0 160:42.0 161:110.0 163:57.0 169:415.0 170:55.0 171:14.0 175:57.0 177:95.0 178:6.0 181:20.0 183:17.0 184:41.0 189:512.0 190:82.0 191:714.0 192:62.0 193:30.0 194:15.0 195:17.0 198:1.0 201:39.0 203:302.0 204:10068.0 205:1833.0 206:800.0 207:224.0 208:10.0 209:45.0 211:8.0 213:5.0 214:3.0 215:22.0 217:2108.0 218:578.0 219:643.0 220:158.0 221:106.0 222:54.0 225:9.0 226:2.0 227:28.0 229:56.0 230:52.0 231:100.0 233:28.0 234:43.0 237:27.0 241:22.0 243:204.0 244:45.0 245:57.0 249:12.0 252:2.0 256:6.0 257:1.0 258:20.0 269:2.0 273:2.0 275:27.0 286:3.0 290:4.0 291:75.0 293:51.0 296:37.0 298:1.0 299:174.0 300:41.0 301:10.0 303:31.0 305:53.0 306:21.0 308:13.0 311:24.0 313:1.0 315:106.0 316:33.0 317:39.0 318:11.0 319:57.0 325:12.0 332:38.0 334:19.0 335:32.0 337:639.0 338:125.0 339:45.0 340:45.0 341:45.0 345:44.0 348:7.0 350:28.0 355:12.0 357:25.0 360:57.0 361:130.0 362:65.0 363:10.0 367:37.0 370:22.0 371:8.0 372:9.0 374:24.0 377:15.0 379:11.0 382:9.0 387:53.0 390:12.0 400:31.0 403:15.0 411:14.0 428:14.0 430:1.0 439:12.0 442:22.0 443:9.0 444:6.0 448:3.0 449:17.0 453:3.0 454:13.0 458:21.0 468:26.0 470:5.0 472:11.0 481:37.0 484:9.0 487:7.0 494:16.0 495:17.0 499:30.0 C05401 16048618 1750 1216 1930 1469 1068 1411 2323 1917 1382 1324 1474 926 1246 969 1746 1031 1446 1268 1224 768 650 1379 1540 894 1374 1100 1625 1071 948 1153 1248 1002 1689 782 1428 1164 1295 1487 1544 1087 1218 1046 1304 1477 1305 1278 985 1146 703 1218 703 717 544 785 1036 1011 642 1035 857 877 905 839 1213 1156 827 735 1076 1109 1493 1939 989 1229 1065 881 847 930 886 1446 1940 1114 767 741 1163 1256 922 663 1121 1639 948 971 1038 1142 552 749 205 30 glycerol 344466 85:1069.0 86:1979.0 87:2157.0 88:1086.0 89:5466.0 90:494.0 91:283.0 94:134.0 97:170.0 99:483.0 100:547.0 101:7688.0 102:1229.0 103:30772.0 104:2994.0 105:1697.0 106:143.0 108:135.0 109:140.0 111:130.0 112:89.0 113:993.0 114:232.0 115:2539.0 116:2329.0 117:35562.0 118:3659.0 119:3831.0 120:444.0 121:441.0 122:107.0 123:185.0 124:113.0 128:225.0 129:5116.0 130:612.0 131:6207.0 132:1094.0 133:25238.0 134:3729.0 135:2380.0 136:427.0 139:148.0 143:244.0 146:99.0 147:56187.0 148:9192.0 149:6633.0 150:722.0 152:125.0 153:108.0 154:82.0 155:38.0 157:61.0 159:389.0 161:182.0 162:155.0 163:742.0 164:142.0 167:218.0 169:149.0 170:124.0 172:83.0 173:244.0 174:3454.0 175:3869.0 176:705.0 177:2097.0 178:209.0 179:212.0 180:52.0 182:221.0 185:175.0 186:146.0 187:33.0 188:143.0 189:384.0 190:167.0 191:2078.0 192:449.0 196:57.0 198:79.0 199:86.0 200:53.0 203:1850.0 204:2494.0 205:18669.0 206:3433.0 207:1121.0 209:158.0 215:40.0 217:803.0 218:5122.0 219:1032.0 220:397.0 221:185.0 232:51.0 234:25.0 237:49.0 246:9.0 247:26.0 252:59.0 257:68.0 260:59.0 263:56.0 268:27.0 282:48.0 293:320.0 294:88.0 297:40.0 298:193.0 302:296.0 306:55.0 307:52.0 308:45.0 317:86.0 319:41.0 320:37.0 322:37.0 323:32.0 324:32.0 329:28.0 330:8.0 331:23.0 332:27.0 334:31.0 335:25.0 336:33.0 343:23.0 344:15.0 348:42.0 355:27.0 357:46.0 363:26.0 365:29.0 368:41.0 370:42.0 376:9.0 377:33.0 378:28.0 379:19.0 380:43.0 381:23.0 382:27.0 384:25.0 385:41.0 387:14.0 388:32.0 390:20.0 393:42.0 395:30.0 396:32.0 397:33.0 398:12.0 399:32.0 402:25.0 410:13.0 424:25.0 429:12.0 431:45.0 440:18.0 442:24.0 444:23.0 446:7.0 447:27.0 449:16.0 451:13.0 454:23.0 469:24.0 470:8.0 471:27.0 472:27.0 473:15.0 474:23.0 480:12.0 483:20.0 485:21.0 490:35.0 491:25.0 492:31.0 494:33.0 496:34.0 497:11.0 499:40.0 500:25.0 C00116 753 56103 64403 171448 75974 62421 40302 61677 197403 74116 44214 157245 65589 80174 39658 78550 60033 84509 49540 46152 62695 57403 78742 108971 43910 76954 41680 59252 42103 56639 69513 79837 55512 57018 57781 99199 56000 73842 76033 50895 68428 68426 65926 68890 48180 61189 51674 70098 87574 52626 48903 73110 48066 46655 36049 79647 53472 56564 52217 49852 46836 45112 45862 68678 39519 40345 45381 58250 43980 65088 62217 73781 97709 58920 59958 68388 47731 59217 44632 49683 63114 51016 44619 82878 62779 56450 48496 46882 73776 70300 72603 45922 68809 50539 62752 189 48 glyceric acid 377495 87:199.0 89:698.0 90:111.0 93:56.0 98:33.0 99:176.0 100:63.0 101:1315.0 102:3672.0 103:4054.0 104:371.0 105:293.0 106:106.0 107:60.0 108:48.0 113:36.0 114:94.0 115:261.0 116:366.0 117:2480.0 119:409.0 122:34.0 130:941.0 131:1036.0 133:4658.0 135:416.0 142:23.0 147:8908.0 148:1388.0 149:813.0 157:22.0 158:22.0 159:33.0 161:42.0 162:30.0 163:86.0 166:42.0 175:382.0 176:31.0 177:220.0 189:3993.0 190:816.0 191:384.0 200:21.0 204:145.0 205:651.0 206:186.0 207:46.0 208:59.0 211:24.0 217:219.0 218:46.0 219:121.0 220:23.0 221:61.0 222:50.0 237:34.0 243:25.0 245:26.0 261:32.0 264:27.0 270:30.0 273:47.0 284:30.0 285:37.0 292:1142.0 293:273.0 294:107.0 305:33.0 307:198.0 308:34.0 310:45.0 312:36.0 313:47.0 315:36.0 316:51.0 317:52.0 322:29.0 323:52.0 324:63.0 325:50.0 329:36.0 332:14.0 344:46.0 345:20.0 359:28.0 363:19.0 364:40.0 373:28.0 404:21.0 418:24.0 428:15.0 439:37.0 443:47.0 447:30.0 448:29.0 456:41.0 460:25.0 463:14.0 466:8.0 472:46.0 477:16.0 478:39.0 480:38.0 482:35.0 C00258 439194 30742 30046 49412 34385 32041 30430 36238 27431 30304 20180 36063 33488 37005 37856 65763 49221 40500 33119 33707 34955 37097 48920 67407 30836 35768 36667 43114 39251 32192 40434 38454 39478 48216 30875 44431 31751 39577 19755 24682 46777 32499 32280 39801 38828 12991 42713 32291 36204 27773 27425 29399 27595 27354 29494 32490 39195 20005 24793 27080 25532 24302 19981 28402 28026 20295 17366 14466 23847 30309 23612 25618 35920 33397 33648 28889 33246 29790 23225 28426 28655 31315 29931 26269 37590 21975 29492 32667 35083 30177 34990 27416 40692 24602 29824 261 1727 glutaric acid 421260 88:191.0 91:36.0 97:767.0 98:37.0 99:40.0 100:340.0 101:236.0 102:261.0 103:344.0 104:57.0 114:112.0 115:81.0 116:704.0 117:526.0 118:162.0 120:11.0 128:639.0 129:1748.0 130:358.0 131:182.0 132:119.0 133:497.0 135:53.0 142:34.0 143:21.0 144:1230.0 145:204.0 147:5413.0 148:702.0 149:827.0 151:43.0 158:934.0 159:179.0 160:47.0 186:172.0 187:30.0 189:439.0 199:13.0 203:445.0 204:296.0 205:234.0 217:7.0 233:283.0 234:2432.0 235:459.0 236:156.0 261:625.0 262:69.0 373:55.0 C00489 743 186 142 80 105 186 158 178 82 108 72 116 120 194 98 126 165 182 208 195 189 207 58 56 101 116 258 142 146 141 31 99 104 111 75 101 149 126 138 135 123 64 145 115 98 145 374 131 85 118 97 151 111 137 145 133 67 86 177 33 55 128 158 86 123 149 122 179 116 135 96 117 108 115 104 99 146 43 36 106 85 148 189 60 82 101 35 72 70 98 88 120 115 76 58 156 18 glutamine 600315 85:588.0 86:773.0 87:527.0 88:297.0 89:472.0 90:276.0 91:144.0 92:65.0 93:78.0 94:61.0 95:137.0 96:185.0 97:201.0 98:705.0 99:418.0 100:4218.0 101:1051.0 102:801.0 104:146.0 105:125.0 107:73.0 110:227.0 111:76.0 112:1090.0 113:753.0 114:2855.0 115:2580.0 116:2463.0 117:1187.0 118:279.0 119:308.0 122:34.0 124:65.0 125:100.0 126:1306.0 128:4527.0 129:1216.0 130:1701.0 131:3856.0 132:1540.0 133:2992.0 134:655.0 135:215.0 136:26.0 139:3235.0 140:1116.0 141:410.0 142:1009.0 143:245.0 144:331.0 145:1747.0 146:257.0 147:9430.0 148:1993.0 149:1681.0 150:185.0 151:69.0 152:27.0 153:67.0 154:260.0 155:14394.0 156:43220.0 157:6313.0 158:1912.0 159:272.0 160:138.0 161:51.0 162:66.0 166:44.0 167:195.0 169:63.0 171:69.0 172:337.0 173:232.0 174:201.0 176:34.0 177:50.0 181:33.0 182:15.0 183:40.0 186:56.0 187:9.0 188:718.0 189:187.0 190:105.0 191:76.0 193:70.0 195:43.0 198:53.0 199:61.0 200:144.0 201:61.0 202:143.0 203:2487.0 204:663.0 205:265.0 207:36.0 208:28.0 209:34.0 210:14.0 211:80.0 213:189.0 214:143.0 215:102.0 216:364.0 217:226.0 218:826.0 219:310.0 220:115.0 221:221.0 222:68.0 227:413.0 228:98.0 229:1162.0 230:578.0 231:180.0 232:403.0 233:34.0 234:56.0 238:18.0 240:77.0 241:83.0 243:88.0 244:176.0 245:3569.0 246:718.0 247:273.0 248:58.0 249:40.0 250:54.0 257:296.0 258:134.0 259:83.0 260:22.0 262:21.0 263:12.0 265:34.0 266:39.0 270:17.0 272:175.0 273:318.0 274:109.0 275:87.0 276:71.0 277:36.0 283:37.0 287:19.0 291:57.0 293:48.0 296:24.0 300:23.0 301:325.0 302:104.0 304:15.0 305:13.0 308:10.0 310:34.0 313:14.0 315:34.0 317:19.0 319:37.0 322:31.0 323:21.0 331:50.0 332:44.0 333:42.0 335:28.0 337:25.0 338:23.0 339:40.0 343:20.0 344:64.0 347:497.0 348:145.0 349:93.0 361:29.0 362:151.0 363:83.0 365:13.0 366:13.0 367:18.0 368:25.0 369:31.0 376:43.0 384:19.0 385:19.0 402:20.0 404:19.0 406:22.0 407:15.0 410:28.0 428:43.0 444:15.0 454:23.0 464:17.0 477:23.0 478:15.0 483:17.0 484:21.0 485:26.0 494:15.0 500:15.0 C00064 5961 245805 343748 123087 49951 425960 61197 58049 66698 526579 233145 199439 410717 374115 304890 601610 291325 418739 454006 400645 333593 269818 460011 593572 396096 458295 321201 468521 293707 162778 379114 322787 135210 393736 541560 466977 269581 441511 254698 109517 202666 178622 204375 212016 476988 275729 411875 408094 460614 367253 370561 438018 417660 311802 438037 552895 401794 419584 326060 407930 378067 459276 437235 369561 183671 114828 238649 116079 312222 169977 440176 242750 303369 288096 245782 239536 250499 242013 253491 351820 246207 317235 292365 187768 356622 335870 235761 306071 317162 360244 279841 318631 315060 263619 345255 246 28 glutamic acid 529100 85:1143.0 86:983.0 87:725.0 88:453.0 89:313.0 90:36.0 91:51.0 95:189.0 96:269.0 97:224.0 98:467.0 99:626.0 100:5243.0 101:1252.0 102:493.0 103:1043.0 104:79.0 105:259.0 108:335.0 109:58.0 110:448.0 111:44.0 112:737.0 113:669.0 114:1398.0 115:911.0 116:669.0 117:712.0 118:217.0 119:303.0 120:26.0 122:179.0 123:41.0 125:90.0 126:202.0 127:190.0 128:17149.0 129:3445.0 130:1476.0 131:1330.0 132:969.0 133:3394.0 134:466.0 135:117.0 139:66.0 140:2017.0 141:344.0 142:289.0 143:479.0 144:208.0 145:181.0 146:73.0 147:12395.0 148:1869.0 149:2656.0 150:257.0 151:102.0 152:182.0 153:58.0 154:124.0 155:158.0 156:9249.0 157:1356.0 158:1273.0 159:344.0 160:91.0 161:30.0 163:60.0 164:48.0 165:46.0 168:93.0 170:90.0 172:163.0 173:126.0 174:375.0 175:16.0 176:12.0 177:67.0 179:59.0 180:166.0 184:7.0 185:48.0 186:82.0 188:139.0 189:92.0 190:42.0 191:50.0 192:24.0 195:102.0 196:48.0 197:42.0 199:41.0 200:39.0 202:206.0 203:133.0 204:691.0 205:186.0 206:69.0 214:316.0 216:158.0 218:917.0 219:152.0 220:106.0 221:127.0 228:111.0 229:56.0 230:3305.0 231:516.0 232:210.0 234:35.0 241:24.0 242:12.0 245:258.0 246:17742.0 247:3507.0 248:1253.0 249:165.0 254:76.0 258:309.0 259:1.0 274:179.0 276:36.0 279:16.0 285:15.0 289:9.0 294:13.0 299:51.0 302:15.0 304:18.0 307:61.0 320:6.0 321:42.0 324:8.0 332:17.0 348:537.0 349:201.0 350:27.0 363:189.0 365:57.0 380:18.0 392:22.0 402:24.0 403:14.0 405:16.0 447:18.0 468:17.0 489:19.0 491:13.0 C00025 33032 147 99 129 66 269 100 120 68 223 184 108 850 637 1577 1525 605 988 805 1161 949 800 1287 1397 558 881 555 777 742 436 930 704 405 1065 1554 1055 469 212 213 118 564 475 578 693 1016 128 1006 798 515 483 521 453 629 596 575 656 624 476 785 469 644 1329 537 531 1245 102 118 216 250 261 163 108 978 590 568 370 385 404 493 161 377 648 644 862 634 563 443 380 861 439 405 553 341 509 546 217 3167 glucose-1-phosphate 594647 85:385.0 86:98.0 87:248.0 88:286.0 89:468.0 90:224.0 92:20.0 95:218.0 99:284.0 101:1180.0 103:1916.0 104:47.0 107:220.0 109:96.0 110:193.0 111:260.0 112:20.0 113:386.0 114:41.0 115:209.0 116:863.0 117:2309.0 118:189.0 119:243.0 125:12.0 126:151.0 128:127.0 129:1571.0 130:306.0 131:508.0 132:123.0 133:2331.0 134:352.0 135:130.0 136:1.0 139:40.0 140:858.0 141:105.0 142:138.0 143:915.0 144:125.0 145:156.0 147:8229.0 148:1243.0 149:964.0 150:76.0 151:107.0 153:55.0 155:220.0 156:22.0 157:187.0 159:40.0 160:8.0 161:143.0 163:152.0 169:760.0 170:84.0 171:30.0 177:78.0 182:7.0 183:39.0 184:231.0 185:109.0 186:40.0 189:73.0 191:1095.0 192:147.0 193:12.0 194:17.0 197:36.0 203:360.0 204:41.0 205:58.0 207:14.0 215:105.0 216:33.0 217:21439.0 218:4677.0 219:1754.0 220:265.0 221:48.0 222:7.0 223:8.0 227:47.0 229:79.0 230:32.0 231:105.0 232:1782.0 233:379.0 234:124.0 235:16.0 239:11.0 243:228.0 244:42.0 245:147.0 246:14.0 247:15.0 255:62.0 257:552.0 258:57.0 270:6.0 271:28.0 274:7.0 284:7.0 291:2.0 305:458.0 306:42.0 307:23.0 317:60.0 318:39.0 319:14.0 331:42.0 332:40.0 347:9.0 362:1.0 391:1.0 414:7.0 447:3.0 450:226.0 451:156.0 452:22.0 453:5.0 484:1.0 494:11.0 C00103 65533 6452 3809 8061 4022 4919 4190 6093 5952 4847 3772 5197 2937 2779 2518 5570 3194 4271 4623 4494 2653 2742 3287 5341 2918 3541 3119 3635 3754 3580 3789 3744 3089 4939 2535 4904 2573 3216 4746 4375 3106 2887 3390 5420 5040 3162 4344 1126 3154 2866 4418 2073 2347 2375 80 3917 2596 3002 3027 3041 1310 3221 2155 3657 3393 2343 1977 2688 4025 4094 4457 3188 4836 2740 2659 2557 3632 3860 3060 4524 2950 2577 2633 2995 3656 2829 2567 482 7128 2866 2996 1064 2619 1542 2193 319 22 glucose 659798 85:955.0 86:739.0 87:1963.0 88:1249.0 89:23654.0 90:1741.0 91:1135.0 94:110.0 95:64.0 96:681.0 97:924.0 98:177.0 99:1302.0 100:4269.0 101:5985.0 102:2628.0 103:55876.0 104:5298.0 105:6003.0 106:471.0 107:134.0 108:44.0 109:106.0 110:151.0 111:715.0 112:295.0 113:1157.0 114:1065.0 115:1902.0 116:1693.0 117:24869.0 118:2407.0 119:3013.0 120:325.0 121:179.0 122:26.0 125:71.0 126:224.0 127:784.0 128:764.0 129:26818.0 130:4097.0 131:8107.0 132:1183.0 133:20675.0 134:2878.0 135:1403.0 136:88.0 137:88.0 138:128.0 139:78.0 140:168.0 141:461.0 142:600.0 143:3011.0 144:391.0 145:752.0 146:298.0 147:74365.0 148:11914.0 149:7215.0 150:643.0 151:308.0 152:144.0 153:106.0 154:234.0 155:230.0 156:167.0 157:15880.0 158:2265.0 159:1354.0 160:26476.0 161:4855.0 162:1167.0 163:1980.0 164:353.0 165:173.0 166:66.0 167:41.0 168:218.0 169:875.0 170:314.0 171:300.0 172:779.0 173:653.0 174:336.0 175:957.0 176:247.0 177:1348.0 178:344.0 179:133.0 180:209.0 181:33.0 182:242.0 183:163.0 184:97.0 185:254.0 186:673.0 187:389.0 188:291.0 189:6007.0 190:1558.0 191:2460.0 192:417.0 193:292.0 195:60.0 196:246.0 197:91.0 198:134.0 199:66.0 200:234.0 201:1318.0 202:313.0 203:888.0 204:5053.0 205:33730.0 206:6322.0 207:3539.0 208:472.0 209:199.0 210:200.0 213:53.0 214:817.0 215:292.0 216:400.0 217:15616.0 218:2944.0 219:1198.0 220:326.0 221:1077.0 222:246.0 223:158.0 224:41.0 226:71.0 227:64.0 228:170.0 229:3566.0 230:982.0 231:1293.0 232:448.0 233:1580.0 234:523.0 235:1031.0 236:130.0 237:100.0 238:55.0 239:51.0 240:176.0 241:34.0 242:333.0 243:368.0 244:344.0 245:388.0 246:375.0 247:193.0 248:65.0 249:99.0 250:67.0 251:20.0 254:44.0 255:84.0 256:91.0 257:62.0 258:63.0 259:196.0 260:89.0 261:79.0 262:148.0 263:54.0 264:75.0 265:142.0 266:27.0 267:73.0 268:390.0 269:229.0 270:150.0 271:74.0 272:56.0 273:568.0 274:363.0 275:124.0 276:89.0 277:829.0 278:385.0 279:183.0 280:104.0 281:55.0 282:35.0 283:33.0 285:77.0 288:42.0 289:54.0 290:40.0 291:1057.0 292:312.0 293:179.0 294:59.0 295:51.0 297:42.0 299:61.0 300:246.0 302:56.0 304:108.0 305:648.0 306:254.0 307:702.0 308:154.0 309:105.0 311:48.0 312:21.0 316:37.0 317:71.0 318:429.0 319:19404.0 320:5891.0 321:2652.0 322:624.0 323:182.0 324:34.0 325:32.0 327:46.0 328:35.0 331:96.0 332:37.0 333:95.0 337:160.0 338:50.0 339:22.0 341:25.0 342:53.0 343:73.0 344:108.0 345:74.0 347:146.0 349:60.0 351:49.0 358:30.0 365:62.0 366:39.0 372:18.0 376:127.0 378:55.0 384:34.0 388:28.0 391:19.0 392:28.0 406:24.0 411:63.0 413:45.0 419:18.0 420:29.0 426:32.0 427:27.0 429:20.0 437:52.0 439:41.0 442:51.0 446:32.0 447:58.0 448:29.0 449:37.0 450:19.0 453:25.0 459:30.0 461:36.0 462:37.0 467:17.0 475:36.0 487:19.0 496:50.0 C00221 64689 785175 948060 726239 857551 1158609 1223725 1084324 609457 541163 1318445 781554 670055 713251 732547 601493 772662 700731 669671 591144 700269 628203 624932 200466 648099 617724 831295 620135 774131 646481 637716 628969 938710 721194 579085 394786 742552 784818 1216668 1164557 830349 773792 693238 743035 656968 1091987 781569 626785 483823 723187 644991 635698 669965 729892 783126 668091 692139 690437 592932 779415 784545 693144 654856 719005 1112089 1110266 1059962 1267112 862546 1180473 715610 981731 615564 688215 600314 645902 701762 641747 552449 815726 663257 692419 710989 712342 776427 662525 731448 715739 529469 692369 579655 675005 729629 747963 666089 333 7501 gluconic acid 693148 87:39.0 89:155.0 99:15.0 100:306.0 101:268.0 102:393.0 103:2729.0 104:264.0 105:196.0 109:2.0 111:2.0 113:144.0 116:8.0 117:1117.0 118:12.0 127:30.0 129:1186.0 130:285.0 131:546.0 132:183.0 133:997.0 134:13.0 137:1.0 139:7.0 140:38.0 141:4.0 142:28.0 143:746.0 144:263.0 145:25.0 147:6161.0 148:1144.0 149:642.0 150:39.0 151:46.0 153:74.0 154:66.0 155:3.0 157:599.0 159:89.0 160:27.0 161:88.0 164:14.0 166:16.0 168:50.0 169:102.0 170:4.0 171:328.0 172:130.0 175:132.0 177:22.0 178:40.0 182:6.0 185:1.0 188:12.0 189:815.0 190:148.0 191:208.0 193:71.0 197:104.0 198:5.0 199:1.0 201:22.0 203:114.0 204:678.0 205:1272.0 206:309.0 207:153.0 215:154.0 216:154.0 217:1887.0 218:850.0 219:423.0 220:71.0 221:320.0 222:33.0 223:25.0 229:303.0 230:25.0 231:111.0 232:35.0 233:19.0 237:35.0 239:19.0 241:5.0 243:104.0 245:193.0 246:73.0 247:73.0 248:14.0 249:29.0 255:37.0 257:64.0 258:26.0 259:98.0 260:22.0 261:78.0 263:68.0 265:70.0 266:34.0 267:19.0 268:3.0 269:65.0 270:10.0 272:22.0 273:46.0 274:12.0 276:11.0 277:318.0 278:173.0 279:93.0 280:26.0 281:20.0 283:7.0 284:49.0 288:4.0 289:16.0 290:3.0 291:100.0 292:1494.0 293:519.0 294:243.0 295:26.0 296:7.0 301:14.0 303:27.0 304:17.0 305:815.0 306:266.0 307:361.0 308:64.0 311:12.0 314:7.0 315:22.0 316:15.0 317:16.0 318:18.0 319:562.0 320:339.0 321:186.0 322:55.0 323:11.0 324:38.0 329:25.0 331:215.0 332:100.0 333:1763.0 334:520.0 335:265.0 336:75.0 337:8.0 340:12.0 343:10.0 344:4.0 345:101.0 346:36.0 347:50.0 348:10.0 351:12.0 359:285.0 360:69.0 361:70.0 364:15.0 365:10.0 366:1.0 369:2.0 370:9.0 372:17.0 379:34.0 380:3.0 381:48.0 388:24.0 389:10.0 391:5.0 392:24.0 393:48.0 394:44.0 395:9.0 397:7.0 401:30.0 405:52.0 406:7.0 408:48.0 410:4.0 412:2.0 413:5.0 414:6.0 417:5.0 419:12.0 422:34.0 423:221.0 424:45.0 425:30.0 427:8.0 432:11.0 433:162.0 434:47.0 435:128.0 436:34.0 437:42.0 438:27.0 440:3.0 443:2.0 444:20.0 445:24.0 446:8.0 449:1.0 451:28.0 452:10.0 453:10.0 454:10.0 455:49.0 464:13.0 476:2.0 478:10.0 479:4.0 480:10.0 482:20.0 C00800 6857417 1724 1129 2077 1152 1414 1131 1986 1904 1649 1256 1361 778 1122 1217 1379 1039 1545 1102 983 552 676 888 1556 760 899 983 1028 729 613 855 1011 676 909 496 744 372 879 1444 1135 715 833 612 917 1407 1149 1015 639 854 814 933 663 721 569 594 832 654 580 825 825 820 744 440 889 1035 1197 597 660 1418 1695 1010 1080 623 496 373 493 490 433 580 1360 597 453 437 588 662 473 520 567 1497 557 731 560 809 269 385 217 3191 glucoheptulose 828606 85:139.0 86:13.0 89:1593.0 91:2.0 94:55.0 97:1692.0 98:126.0 99:121.0 100:313.0 101:365.0 103:5867.0 104:480.0 105:349.0 109:19.0 111:2.0 114:1800.0 115:154.0 116:242.0 117:2040.0 118:246.0 119:195.0 120:35.0 122:30.0 128:61.0 129:1591.0 130:174.0 131:183.0 133:1318.0 134:156.0 136:15.0 141:68.0 142:187.0 143:391.0 144:75.0 147:6372.0 148:889.0 149:623.0 152:13.0 154:11.0 156:61.0 157:517.0 158:120.0 159:80.0 160:16.0 161:17.0 163:75.0 166:11.0 169:863.0 170:230.0 171:10.0 172:231.0 173:198.0 174:66.0 175:186.0 186:71.0 188:38.0 189:583.0 190:298.0 191:4525.0 192:817.0 193:211.0 194:84.0 197:9.0 199:35.0 201:59.0 202:94.0 203:12.0 204:1202.0 205:1868.0 206:369.0 207:148.0 208:106.0 215:23.0 216:58.0 217:3888.0 218:737.0 219:334.0 220:35.0 221:126.0 222:53.0 229:82.0 230:72.0 231:77.0 232:16.0 233:24.0 235:9.0 242:6.0 243:62.0 244:59.0 245:20.0 246:18.0 252:6.0 256:23.0 257:1.0 258:10.0 259:1012.0 260:248.0 261:92.0 262:751.0 263:194.0 264:56.0 265:16.0 271:37.0 277:109.0 278:72.0 289:10.0 290:4.0 291:127.0 292:41.0 295:4.0 296:3.0 304:26.0 305:411.0 306:181.0 307:687.0 308:170.0 309:57.0 310:27.0 312:20.0 316:3.0 317:9.0 318:28.0 319:546.0 320:142.0 321:85.0 324:1.0 330:6.0 331:1076.0 332:428.0 333:238.0 334:39.0 335:11.0 341:16.0 346:6.0 349:8.0 362:2.0 372:1.0 374:16.0 376:99.0 377:26.0 380:2.0 382:15.0 383:1.0 386:13.0 393:4.0 399:1.0 401:15.0 411:4.0 415:15.0 420:5.0 421:302.0 422:115.0 423:49.0 424:9.0 427:6.0 432:14.0 437:8.0 438:10.0 445:1.0 447:15.0 466:9.0 473:34.0 484:1.0 500:2.0 C02076 5459879 323 168 228 218 718 206 308 196 239 281 189 252 223 193 919 209 319 860 187 146 168 358 687 207 173 409 121 105 101 263 132 159 275 137 252 188 204 191 263 217 269 146 52 328 145 153 183 128 148 129 178 103 203 263 225 169 90 145 167 163 131 159 175 228 167 177 173 284 214 248 173 59 133 101 252 224 251 177 597 251 178 217 191 225 159 108 93 106 120 196 141 173 129 140 319 16668 galactose 648756 85:620.0 86:2348.0 87:2074.0 88:1466.0 89:22824.0 90:1966.0 91:898.0 97:640.0 99:1455.0 100:3867.0 101:6075.0 102:3366.0 103:44973.0 104:4301.0 105:11826.0 106:888.0 107:318.0 110:106.0 111:644.0 112:551.0 113:1365.0 114:3837.0 115:2232.0 116:2050.0 117:35884.0 118:3511.0 119:3431.0 120:215.0 121:47.0 123:25.0 124:36.0 125:81.0 126:497.0 127:465.0 128:1073.0 129:39974.0 130:6567.0 131:10141.0 132:1432.0 133:22622.0 134:2726.0 135:1434.0 136:78.0 138:88.0 139:65.0 140:225.0 141:491.0 142:1414.0 143:4687.0 144:733.0 145:2246.0 147:94048.0 148:14524.0 149:8165.0 150:679.0 151:394.0 153:98.0 154:183.0 155:219.0 156:116.0 157:25759.0 158:4601.0 159:1603.0 160:50610.0 161:8291.0 162:2528.0 163:2804.0 164:315.0 165:94.0 166:27.0 167:9.0 168:350.0 169:665.0 170:154.0 171:135.0 172:938.0 173:1060.0 174:684.0 175:1488.0 176:319.0 177:1313.0 178:240.0 179:45.0 180:132.0 181:59.0 182:123.0 183:90.0 185:165.0 186:644.0 187:148.0 188:253.0 189:9468.0 190:2414.0 191:3730.0 192:614.0 193:24.0 194:2.0 196:129.0 197:62.0 198:61.0 199:22.0 200:377.0 201:2130.0 202:643.0 203:1234.0 204:8234.0 205:49989.0 206:10047.0 207:5144.0 208:609.0 209:104.0 210:785.0 211:132.0 212:132.0 214:278.0 215:692.0 216:2455.0 217:26644.0 218:4960.0 219:2362.0 220:306.0 221:1307.0 222:396.0 223:191.0 225:28.0 226:20.0 228:245.0 229:6536.0 230:1855.0 231:3015.0 232:968.0 233:1246.0 234:855.0 235:211.0 236:106.0 237:78.0 238:10.0 239:19.0 240:169.0 241:102.0 242:13.0 243:385.0 244:595.0 245:227.0 246:677.0 247:366.0 248:115.0 249:44.0 251:11.0 253:47.0 254:79.0 255:5.0 256:207.0 257:78.0 258:21.0 259:142.0 260:154.0 261:22.0 262:1126.0 263:251.0 264:63.0 265:80.0 266:54.0 267:37.0 268:194.0 269:465.0 270:190.0 274:1138.0 275:350.0 276:257.0 277:1261.0 278:505.0 279:94.0 286:59.0 288:6.0 290:92.0 291:2273.0 292:684.0 293:370.0 294:80.0 300:407.0 301:127.0 302:192.0 303:23.0 304:119.0 305:1509.0 306:652.0 307:1248.0 308:252.0 309:243.0 310:22.0 314:22.0 315:32.0 317:64.0 318:574.0 319:35941.0 320:11244.0 321:5302.0 322:1070.0 323:305.0 324:13.0 330:54.0 332:10.0 333:71.0 335:18.0 336:4.0 342:46.0 343:396.0 344:235.0 345:107.0 346:30.0 355:12.0 358:136.0 359:77.0 360:10.0 364:748.0 365:297.0 366:141.0 367:8.0 374:315.0 375:137.0 376:248.0 377:64.0 390:60.0 393:15.0 401:22.0 421:9.0 446:4.0 448:17.0 464:79.0 465:26.0 466:117.0 467:4.0 480:2.0 491:1.0 C00984 439357 1411742 1223740 906047 1163179 548628 1548027 599582 331429 578793 1923268 1112932 1054561 930398 1265605 725542 1181773 1085306 1100147 1442292 1052379 1642024 755072 542222 923235 791310 1402320 812292 1151974 1190902 817937 735762 1293448 899855 707889 702237 1061021 574904 1064959 824456 1201319 1024406 1068036 947507 817748 1343927 1146691 819913 591909 899139 874555 843932 974198 1093294 998043 891060 1206565 860807 1240608 1048849 1025466 993791 1089578 916907 934401 1498636 1419048 1535682 1325880 1025748 401484 744844 733701 927060 1047243 827895 904834 1002909 974192 1110053 1072607 1112602 1246816 1235280 1176816 1123610 922374 970161 656560 1037611 951971 1022518 1037371 1147202 964942 292 4706 galactonic acid 690882 85:918.0 86:238.0 87:865.0 88:630.0 89:3376.0 90:737.0 91:316.0 95:57.0 96:68.0 97:1011.0 98:413.0 99:1406.0 100:448.0 101:4514.0 102:3806.0 103:26292.0 104:2417.0 105:1403.0 106:36.0 107:255.0 108:13.0 109:160.0 110:149.0 111:353.0 112:80.0 113:956.0 114:440.0 115:1587.0 116:1106.0 117:12863.0 118:1333.0 119:1189.0 124:209.0 125:121.0 126:8.0 127:610.0 128:752.0 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216 235 282 192 178 256 199 215 149 235 274 270 164 218 256 219 248 323 317 140 258 270 230 207 159 191 153 308 160 3009 fucose 578299 85:191.0 89:328.0 91:5.0 98:6.0 100:250.0 101:182.0 103:132.0 105:64.0 107:33.0 117:5349.0 118:423.0 119:197.0 127:28.0 129:429.0 130:344.0 131:248.0 133:363.0 134:138.0 143:112.0 147:658.0 148:60.0 159:12.0 160:926.0 161:309.0 162:4.0 171:31.0 174:36.0 189:39.0 191:27.0 204:79.0 205:9.0 206:19.0 217:28.0 219:124.0 223:10.0 231:37.0 233:151.0 235:13.0 277:238.0 278:54.0 293:13.0 299:12.0 321:80.0 332:5.0 342:6.0 356:8.0 365:2.0 459:5.0 468:1.0 475:10.0 C02095 439650 4248 3672 5353 4046 3455 3705 4157 5010 3302 2517 3076 2763 3584 3231 4795 2641 3485 3540 3361 2633 2542 4926 5356 3110 3423 3304 4518 4527 3296 4738 3294 3608 4865 2423 5146 3208 2937 3412 3478 3252 3784 4038 4117 4017 2387 3181 3310 4083 2849 3823 2160 3710 2836 3752 4009 3266 2680 2538 3011 4057 2826 2454 2760 2495 1848 1884 2745 2768 3134 4690 3233 4316 5313 3106 2767 3204 3266 2592 3001 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802761 728855 672981 812698 575248 231824 286095 199107 715893 780535 643885 739829 667379 209639 507871 668715 520791 534178 486691 445333 451933 418148 478065 537220 382658 486118 331321 455620 494864 447477 330408 563312 212810 132593 245205 128821 204232 129328 248851 195801 540945 465480 381067 475027 593880 470130 436675 252339 450647 424328 441039 481195 509911 510589 502576 480998 477728 411608 335718 440163 495109 446824 425786 174 45341 ethanolamine 343800 85:17544.0 86:175868.0 87:37978.0 88:16848.0 89:41209.0 90:4709.0 91:10643.0 92:1773.0 93:2745.0 94:638.0 95:902.0 96:1260.0 97:1477.0 98:2978.0 99:7231.0 100:169810.0 101:52380.0 102:24044.0 103:172854.0 104:24239.0 105:38562.0 106:5669.0 107:15911.0 108:1840.0 109:5126.0 110:2504.0 111:841.0 112:951.0 113:9857.0 114:19793.0 115:72673.0 116:28088.0 117:182126.0 118:22232.0 119:55318.0 120:8272.0 121:28203.0 122:3810.0 123:12350.0 124:1123.0 125:936.0 126:1139.0 127:1285.0 128:1944.0 129:25367.0 130:29939.0 131:75453.0 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1541 123 178 6711 91 1560 127 100 109 298 850 132 94 73 171 90 4711 404 145 110 90 115 85 122 458 476 5484 523 217 92 erythritol 471922 86:57.0 87:443.0 89:682.0 90:92.0 99:480.0 100:41.0 101:1823.0 103:7046.0 104:676.0 105:300.0 106:59.0 109:27.0 111:45.0 113:474.0 115:473.0 116:1861.0 117:6123.0 118:476.0 119:295.0 127:453.0 129:1559.0 130:129.0 131:448.0 133:1902.0 134:216.0 144:53.0 147:9776.0 148:785.0 149:656.0 158:25.0 159:8.0 163:98.0 169:60.0 174:40.0 175:153.0 176:58.0 177:60.0 183:21.0 189:1255.0 190:194.0 191:893.0 196:28.0 201:50.0 203:23.0 204:946.0 205:2257.0 206:173.0 207:79.0 211:25.0 215:36.0 216:20.0 217:3970.0 218:660.0 219:26.0 221:210.0 222:60.0 223:40.0 225:43.0 233:20.0 236:23.0 240:21.0 241:23.0 246:27.0 249:14.0 250:11.0 251:21.0 260:23.0 261:25.0 278:10.0 280:8.0 293:87.0 294:30.0 296:10.0 305:36.0 307:98.0 322:9.0 343:16.0 428:13.0 463:30.0 475:13.0 488:21.0 C00503 222285 60210 57818 78133 59958 70686 58323 85790 70265 70703 40874 45614 39441 54682 36263 54331 46752 46037 54639 35949 34651 29283 46454 55357 42357 43967 38981 49533 41338 40963 46550 49035 40869 52754 35719 66490 42947 46936 64285 56918 47844 52446 49395 48788 47858 51323 29112 45973 50234 36971 50426 29760 43292 29286 38689 39595 32090 37741 35216 37961 45155 35698 26319 46688 45522 31780 39252 36765 58247 48861 65627 43344 47004 39683 35179 32244 42223 46251 33169 54273 46869 30831 39363 49481 43905 39855 34645 38867 63453 39313 33491 32629 43809 26669 29517 170 3101 epsilon-caprolactam 353069 85:3527.0 86:4140.0 87:584.0 88:310.0 89:178.0 90:77.0 92:69.0 93:133.0 94:788.0 95:1631.0 96:9852.0 97:922.0 98:563.0 99:1266.0 100:3522.0 101:560.0 102:1140.0 104:121.0 108:40.0 109:61.0 110:210.0 111:195.0 112:430.0 113:668.0 114:248.0 115:442.0 116:2077.0 117:158.0 118:177.0 119:56.0 121:27.0 124:57.0 125:76.0 126:242.0 127:629.0 128:1076.0 129:519.0 131:354.0 135:55.0 137:46.0 138:80.0 139:64.0 140:1277.0 141:387.0 142:1578.0 143:310.0 144:175.0 145:27.0 146:51.0 147:274.0 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259 331 98 402 136 333 285 30 116 145 257 194 263 87 167 113 182 113 271 127 121 168 71 78 695 315 284 171 243 276 122 231 185 282 315 128 207 185 149 205 187 435 189 262 211 154 193 175 125 166 187 316 154 295 200 243 12092 dodecanol 507619 85:402.0 86:5.0 87:55.0 88:22.0 89:1221.0 90:28.0 91:164.0 97:1064.0 98:48.0 99:290.0 101:655.0 102:50.0 103:1071.0 104:12.0 105:2.0 107:23.0 110:75.0 111:463.0 113:15.0 115:147.0 116:5.0 117:2.0 119:2.0 124:1.0 125:24.0 127:111.0 129:13.0 130:11.0 132:11.0 133:6.0 143:5.0 147:15.0 166:1.0 171:74.0 175:5.0 185:1.0 188:2.0 189:11.0 190:4.0 191:1.0 220:259.0 221:14.0 223:3.0 243:1615.0 244:323.0 245:42.0 263:4.0 264:1.0 313:3.0 422:3.0 C02277 8193 568 530 518 653 828 635 548 386 408 453 471 358 308 416 303 276 263 241 361 344 333 103 192 341 291 674 322 376 464 315 404 641 279 256 238 504 435 650 489 636 503 478 377 227 618 554 159 179 284 358 311 314 316 358 283 334 231 233 320 302 200 211 111 599 612 603 527 486 545 353 639 366 402 415 400 282 359 346 460 374 347 437 439 462 431 354 313 310 379 317 316 305 286 219 231 33037 deoxypentitol 528774 87:25.0 89:344.0 90:21.0 101:747.0 102:136.0 103:1141.0 104:17.0 105:123.0 111:54.0 113:68.0 114:9.0 115:1403.0 117:1187.0 118:109.0 119:126.0 128:82.0 129:1844.0 130:246.0 131:413.0 132:69.0 133:945.0 134:35.0 135:18.0 140:208.0 141:182.0 142:167.0 144:282.0 145:197.0 147:3278.0 148:300.0 149:544.0 151:15.0 155:310.0 156:93.0 157:179.0 158:52.0 159:66.0 163:39.0 164:96.0 165:2.0 171:3.0 172:76.0 173:64.0 175:73.0 177:82.0 183:1.0 185:1.0 188:69.0 189:132.0 190:39.0 191:125.0 199:35.0 201:61.0 203:233.0 204:108.0 205:830.0 206:129.0 215:1046.0 216:190.0 217:1206.0 218:249.0 219:103.0 221:6.0 226:16.0 229:38.0 230:553.0 231:2073.0 232:468.0 233:167.0 234:11.0 241:5.0 244:31.0 245:77.0 246:15.0 257:36.0 328:9.0 329:11.0 330:10.0 332:7.0 384:1.0 415:14.0 427:2.0 449:7.0 0 270738 3257 2449 3771 2320 2340 2325 3456 3905 2661 1904 2373 1579 2030 1701 2358 1453 2118 2152 2017 1374 1265 2049 2154 1450 1660 1760 2478 2095 1656 2302 2060 1386 2923 1230 2621 1423 1737 2478 2773 1552 1841 1753 2404 2500 2095 1380 1981 1903 1470 2148 992 1858 1134 1567 1663 1397 1283 1647 1467 2473 1428 1085 1284 1830 1389 1275 1535 2334 2660 2652 1499 2206 2084 1382 1468 1567 1657 1333 2184 1490 1250 1392 2139 1779 1353 1543 1686 3500 1543 1714 1420 1514 709 1059 239 8917 dehydroabietic acid 850374 86:3.0 91:5.0 95:52.0 100:123.0 103:154.0 113:7.0 115:48.0 116:270.0 117:458.0 118:31.0 128:458.0 129:250.0 130:43.0 131:210.0 138:6.0 141:353.0 142:165.0 143:325.0 144:453.0 152:58.0 153:66.0 154:107.0 155:66.0 157:196.0 158:79.0 159:89.0 165:156.0 166:55.0 167:86.0 169:91.0 170:38.0 171:308.0 173:234.0 177:29.0 178:30.0 179:24.0 181:24.0 183:94.0 184:22.0 186:29.0 187:73.0 191:34.0 195:36.0 197:137.0 203:2.0 204:67.0 206:47.0 207:191.0 208:54.0 210:17.0 211:23.0 212:6.0 217:257.0 218:31.0 223:45.0 225:23.0 227:7.0 230:6.0 237:1.0 238:8.0 239:2015.0 240:491.0 241:28.0 242:37.0 249:31.0 250:57.0 254:12.0 255:112.0 256:28.0 264:9.0 267:21.0 280:35.0 282:19.0 287:19.0 292:11.0 299:49.0 300:15.0 307:6.0 308:68.0 314:20.0 324:42.0 325:57.0 327:23.0 330:7.0 352:5.0 357:102.0 358:75.0 359:76.0 364:2.0 371:22.0 372:36.0 373:43.0 374:3.0 427:12.0 476:19.0 489:9.0 C12078 94391 993 949 719 656 1036 878 827 571 725 1176 708 998 737 1013 746 772 810 906 941 765 1041 768 564 825 801 1045 786 906 857 707 735 783 796 574 437 951 805 920 1013 797 1194 1049 800 602 751 1011 795 596 849 709 827 1002 880 783 723 740 792 974 746 867 1016 644 791 1091 907 957 1072 1113 1095 768 1079 581 733 740 731 823 698 669 923 904 898 943 744 1001 911 994 902 782 836 810 797 1194 783 609 218 94 cystine 804619 85:108.0 86:247.0 87:139.0 88:76.0 89:69.0 91:149.0 92:44.0 93:30.0 95:38.0 98:79.0 99:84.0 100:3048.0 101:429.0 102:207.0 103:131.0 104:31.0 109:39.0 111:37.0 114:248.0 115:750.0 116:370.0 117:152.0 118:99.0 119:32.0 120:118.0 121:41.0 122:20.0 128:86.0 129:101.0 130:257.0 131:402.0 132:617.0 133:343.0 134:123.0 135:57.0 143:27.0 144:115.0 145:43.0 146:3584.0 147:1813.0 148:1380.0 149:261.0 156:21.0 157:29.0 158:55.0 160:66.0 167:29.0 172:110.0 173:20.0 174:87.0 178:272.0 179:44.0 188:147.0 194:27.0 195:18.0 201:20.0 202:50.0 203:99.0 205:31.0 207:52.0 216:208.0 218:3003.0 219:625.0 220:327.0 221:84.0 230:22.0 232:341.0 241:16.0 243:13.0 246:15.0 250:69.0 260:32.0 264:234.0 265:140.0 266:534.0 267:67.0 268:64.0 274:12.0 277:25.0 281:20.0 288:47.0 289:53.0 290:16.0 296:42.0 297:151.0 299:39.0 300:23.0 302:24.0 303:23.0 308:13.0 317:31.0 322:33.0 332:16.0 338:18.0 339:32.0 347:17.0 367:20.0 382:14.0 411:142.0 487:14.0 C01420 595 211 171 254 216 179 186 362 193 198 205 202 142 241 190 280 176 203 286 257 161 195 189 449 195 195 215 282 198 173 238 270 147 173 237 254 116 209 302 295 170 136 138 192 251 166 201 297 251 166 143 192 210 151 187 181 151 162 157 320 217 128 344 347 240 192 130 151 215 171 232 156 247 176 182 190 201 195 166 272 194 154 143 152 223 163 122 184 483 196 203 211 162 147 271 115 31 creatinine 502599 85:370.0 88:85.0 89:36.0 93:61.0 98:181.0 99:1414.0 100:9158.0 101:1232.0 103:128.0 108:34.0 111:15.0 113:594.0 114:567.0 115:27718.0 116:1868.0 118:47.0 124:34.0 130:931.0 134:91.0 135:38.0 136:59.0 139:101.0 142:85.0 143:10910.0 144:1070.0 147:1641.0 155:268.0 158:453.0 159:92.0 160:80.0 161:20.0 162:30.0 165:17.0 167:15.0 169:18.0 170:66.0 171:2993.0 172:140.0 173:285.0 174:113.0 175:26.0 176:37.0 177:19.0 178:18.0 179:22.0 181:27.0 183:40.0 185:83.0 186:60.0 187:655.0 188:221.0 189:99.0 190:40.0 191:21.0 194:26.0 197:24.0 199:144.0 202:39.0 203:34.0 205:8.0 206:46.0 210:37.0 211:18.0 212:28.0 213:79.0 215:275.0 216:120.0 217:64.0 218:14.0 219:27.0 220:29.0 225:28.0 226:126.0 227:75.0 229:62.0 231:19.0 233:24.0 237:17.0 240:68.0 247:20.0 255:22.0 256:36.0 257:61.0 258:27.0 259:23.0 262:21.0 263:18.0 277:28.0 285:23.0 290:27.0 293:19.0 294:26.0 297:13.0 303:15.0 309:16.0 312:25.0 313:34.0 314:787.0 315:277.0 316:131.0 317:12.0 319:17.0 321:17.0 326:22.0 327:21.0 329:1086.0 331:136.0 335:20.0 341:24.0 345:30.0 347:25.0 348:15.0 349:24.0 350:29.0 353:14.0 357:22.0 368:22.0 373:28.0 375:18.0 378:22.0 392:21.0 394:13.0 401:11.0 403:27.0 405:25.0 431:14.0 455:21.0 461:17.0 470:23.0 475:26.0 476:26.0 478:23.0 479:28.0 484:27.0 487:17.0 490:31.0 496:20.0 497:24.0 C00791 588 17746 17411 18392 7198 9615 11819 10786 6924 23497 8653 11493 18306 31631 16996 28929 20903 34056 30990 27391 13153 17727 18351 40570 15317 20760 17486 21455 14531 18557 13936 15086 13264 23954 18027 27973 12887 11361 9564 9038 16070 12364 8772 16987 30672 20103 14878 27656 31670 18684 23842 20432 17861 20548 22363 29381 19327 26678 22120 31521 26854 21908 18403 23316 7708 5828 8128 6914 9520 8416 13185 3380 23927 13934 13938 15542 19393 19825 16997 7718 18685 21542 14991 14452 11820 18626 15739 14119 4333 20848 19304 18731 21248 13778 19027 318 2670 conduritol-beta-epoxide 675635 85:36.0 86:264.0 87:119.0 89:71.0 90:3.0 96:4.0 97:45.0 100:25.0 101:25.0 102:89.0 103:1499.0 104:98.0 106:19.0 108:25.0 110:52.0 111:13.0 113:96.0 114:7.0 115:120.0 116:89.0 117:65.0 120:22.0 121:16.0 122:20.0 125:21.0 126:64.0 127:5.0 128:52.0 129:2124.0 130:118.0 131:398.0 132:68.0 133:1415.0 139:13.0 140:24.0 141:13.0 142:4.0 143:397.0 144:106.0 146:101.0 147:5675.0 148:698.0 149:369.0 150:2.0 153:7.0 154:265.0 159:257.0 160:21.0 161:150.0 162:2.0 164:1.0 167:6.0 169:31.0 171:69.0 172:1.0 174:7.0 176:19.0 177:98.0 178:19.0 179:437.0 180:61.0 182:17.0 184:26.0 185:24.0 187:24.0 189:113.0 190:146.0 191:2677.0 192:388.0 193:165.0 197:141.0 198:1.0 199:61.0 200:33.0 202:8.0 204:806.0 205:402.0 206:111.0 208:1.0 211:9.0 213:15.0 215:50.0 217:4038.0 218:487.0 219:244.0 220:186.0 221:455.0 222:43.0 223:2.0 227:30.0 228:8.0 229:11.0 230:77.0 233:165.0 234:14.0 237:7.0 239:75.0 240:3.0 241:257.0 242:41.0 243:116.0 244:58.0 247:15.0 253:22.0 255:23.0 256:8.0 257:681.0 258:125.0 260:77.0 261:37.0 265:1048.0 266:188.0 267:197.0 268:72.0 270:11.0 271:17.0 272:24.0 274:15.0 277:1.0 278:4.0 279:26.0 282:19.0 283:9.0 286:27.0 288:14.0 289:59.0 291:247.0 292:34.0 293:78.0 295:12.0 298:26.0 300:18.0 301:16.0 304:10.0 305:2404.0 306:625.0 307:293.0 308:31.0 309:5.0 314:34.0 315:109.0 316:16.0 317:40.0 318:2741.0 319:988.0 320:374.0 321:61.0 322:23.0 325:33.0 326:28.0 331:512.0 332:127.0 333:7.0 335:28.0 336:3.0 341:13.0 342:7.0 344:8.0 349:4.0 354:11.0 357:13.0 361:27.0 367:139.0 368:148.0 369:104.0 370:3.0 371:6.0 384:1.0 386:6.0 390:6.0 393:38.0 394:13.0 395:12.0 396:1.0 403:5.0 407:3.0 413:5.0 419:109.0 424:33.0 432:119.0 433:160.0 434:80.0 435:23.0 443:18.0 452:4.0 455:13.0 460:2.0 467:7.0 472:1.0 479:9.0 485:3.0 491:1.0 492:5.0 497:17.0 0 9989541 702 528 942 1021 555 556 650 392 348 582 404 141 748 177 265 542 535 673 195 209 216 574 2535 182 443 305 232 286 712 544 335 121 263 229 467 207 821 335 290 290 1348 231 636 214 305 170 478 233 169 595 215 270 322 245 210 280 126 191 201 271 243 178 663 548 168 271 400 283 306 461 292 1417 266 422 627 421 181 349 591 224 273 414 176 229 438 258 704 703 181 531 295 186 226 502 157 1712 citrulline 621404 85:138.0 86:318.0 89:143.0 90:82.0 91:114.0 92:81.0 95:62.0 97:103.0 98:473.0 99:700.0 100:1254.0 101:216.0 102:109.0 103:52.0 104:50.0 107:195.0 108:36.0 109:94.0 110:101.0 111:43.0 113:64.0 114:128.0 115:311.0 116:35.0 117:38.0 118:54.0 120:48.0 122:24.0 124:39.0 126:87.0 127:262.0 128:173.0 129:140.0 130:668.0 132:139.0 133:229.0 134:91.0 138:26.0 140:306.0 141:1077.0 142:2134.0 143:284.0 144:260.0 146:40.0 148:41.0 154:101.0 155:180.0 156:166.0 157:5040.0 158:728.0 159:259.0 160:31.0 161:5.0 166:124.0 168:45.0 169:63.0 170:68.0 171:389.0 172:369.0 173:104.0 178:23.0 183:59.0 185:5.0 187:198.0 188:55.0 193:561.0 199:41.0 205:66.0 208:143.0 215:8.0 216:163.0 218:204.0 220:99.0 231:23.0 240:17.0 241:1.0 244:154.0 245:45.0 250:177.0 254:65.0 255:17.0 256:1415.0 257:323.0 258:102.0 264:8.0 270:294.0 271:29.0 273:80.0 280:53.0 305:1.0 311:24.0 313:15.0 320:6.0 332:11.0 347:3.0 352:9.0 354:17.0 358:25.0 372:15.0 375:16.0 387:43.0 401:34.0 449:23.0 451:16.0 462:17.0 484:2.0 C00327 9750 2335 2289 2022 1324 3098 889 1262 1234 3200 1506 1544 3955 2423 2377 2311 2111 2180 1244 2333 962 1640 2645 3017 2189 3119 2779 2350 2376 1165 3017 1307 3311 1784 1245 2097 1739 2106 1753 1383 1637 2715 2482 1816 2786 1340 1482 1554 1418 1664 2207 1320 2101 2122 1532 1954 1960 1117 1588 1472 1003 1652 1077 1097 1930 1141 1791 1463 1954 1881 2555 1579 1360 1864 1644 1537 1602 1369 2137 1947 1147 1225 2314 2225 1418 2438 2057 1178 5171 1474 1698 1183 2757 1270 859 273 288 citric acid 617342 85:108.0 87:167.0 88:92.0 89:136.0 92:58.0 93:86.0 95:193.0 96:108.0 97:78.0 99:605.0 100:143.0 101:223.0 102:92.0 103:336.0 104:70.0 105:58.0 109:24.0 110:55.0 111:256.0 112:15.0 114:87.0 115:639.0 116:312.0 117:522.0 118:105.0 119:62.0 120:32.0 124:17.0 125:53.0 126:49.0 127:177.0 128:22.0 129:915.0 131:952.0 132:92.0 133:1929.0 134:60.0 135:258.0 136:35.0 137:44.0 139:90.0 140:83.0 141:331.0 142:86.0 143:477.0 144:77.0 145:76.0 146:47.0 147:10067.0 148:1778.0 149:1131.0 150:225.0 151:7.0 152:37.0 153:16.0 155:64.0 156:38.0 157:237.0 158:61.0 159:72.0 160:57.0 161:96.0 162:22.0 163:183.0 164:27.0 165:59.0 166:35.0 167:23.0 168:16.0 169:129.0 170:11.0 171:168.0 172:64.0 173:128.0 174:50.0 175:66.0 177:28.0 178:42.0 179:36.0 182:29.0 183:1284.0 184:180.0 185:362.0 186:68.0 187:31.0 188:26.0 189:120.0 190:135.0 191:107.0 192:45.0 193:28.0 195:34.0 196:25.0 197:16.0 198:22.0 199:13.0 200:24.0 201:86.0 202:21.0 204:64.0 205:91.0 207:168.0 210:13.0 211:1318.0 212:188.0 213:146.0 215:221.0 217:281.0 218:68.0 221:479.0 222:99.0 223:38.0 227:35.0 228:49.0 229:92.0 230:87.0 231:131.0 233:43.0 234:40.0 237:17.0 240:19.0 242:17.0 243:20.0 245:53.0 246:24.0 247:19.0 249:25.0 250:23.0 253:19.0 256:18.0 257:581.0 259:94.0 260:49.0 262:16.0 267:28.0 268:44.0 269:27.0 271:44.0 272:64.0 273:4585.0 274:923.0 275:418.0 276:93.0 277:45.0 278:30.0 279:22.0 283:37.0 285:183.0 287:95.0 289:27.0 290:23.0 292:21.0 298:25.0 300:27.0 301:92.0 302:68.0 303:84.0 304:55.0 305:240.0 306:21.0 307:23.0 308:16.0 312:30.0 320:6.0 322:31.0 325:26.0 326:12.0 329:18.0 330:24.0 331:44.0 332:21.0 335:42.0 337:12.0 343:20.0 346:38.0 347:722.0 348:178.0 349:50.0 350:35.0 355:20.0 356:13.0 358:12.0 363:419.0 364:156.0 365:44.0 367:29.0 370:19.0 374:37.0 375:555.0 376:155.0 379:17.0 396:37.0 400:33.0 407:23.0 420:20.0 423:23.0 429:17.0 437:28.0 439:31.0 448:42.0 449:41.0 450:16.0 452:31.0 455:26.0 456:19.0 457:27.0 459:32.0 461:28.0 462:28.0 464:32.0 465:80.0 467:9.0 469:42.0 472:23.0 473:25.0 474:23.0 476:34.0 477:20.0 482:28.0 486:35.0 488:28.0 491:30.0 492:25.0 499:16.0 500:39.0 C00158 311 194747 236704 236091 29390 439489 14858 117724 11258 563275 122585 204504 58946 181914 79591 323044 60781 108898 215589 145212 166774 70946 163386 304085 228972 117972 103450 135559 209188 175061 154399 300037 52248 220761 412761 318417 250793 341489 306524 158156 60091 35992 106564 99861 225848 72564 163667 208142 310448 142994 140546 310047 193279 146479 141350 150449 200679 234495 154746 186733 144964 183921 133298 277030 324234 128124 90299 164027 333598 167486 295356 106893 361185 141950 218291 221269 243859 276861 224653 203896 143295 241316 107145 79821 183217 202532 175278 227322 302304 172465 139913 184198 224291 173555 263628 247 16826 citramalic acid 456203 85:1091.0 86:111.0 98:257.0 99:18.0 100:60.0 101:12.0 110:204.0 113:1.0 114:49.0 115:1851.0 116:213.0 117:396.0 130:232.0 131:61.0 132:133.0 133:455.0 134:36.0 142:43.0 143:196.0 145:620.0 147:3368.0 148:292.0 149:356.0 157:133.0 163:393.0 172:749.0 173:94.0 184:92.0 185:314.0 189:130.0 190:22.0 203:434.0 204:37.0 205:70.0 214:79.0 215:43.0 217:200.0 221:78.0 222:7.0 230:23.0 231:379.0 232:100.0 233:195.0 247:2042.0 248:406.0 249:90.0 259:394.0 260:74.0 261:33.0 262:3.0 276:5.0 277:34.0 291:5.0 292:25.0 321:160.0 322:80.0 323:53.0 331:1.0 349:65.0 351:6.0 355:9.0 364:17.0 365:15.0 366:26.0 367:25.0 371:20.0 375:7.0 381:4.0 383:49.0 384:23.0 391:8.0 398:26.0 400:1.0 402:14.0 403:12.0 404:4.0 405:5.0 414:2.0 419:19.0 420:15.0 431:31.0 432:4.0 436:2.0 441:21.0 456:24.0 467:13.0 471:5.0 473:4.0 474:9.0 475:31.0 478:5.0 483:1.0 484:7.0 489:11.0 C00815 1081 337 248 364 154 335 626 427 92 287 305 206 266 308 507 163 220 228 379 509 265 458 301 269 215 437 287 345 279 220 281 365 403 369 264 236 392 223 250 368 184 500 312 229 282 316 367 196 258 308 363 260 228 2842 248 189 1117 78 414 286 447 1475 265 279 330 233 392 2125 320 1564 325 257 904 266 261 229 429 214 155 194 240 334 426 3364 260 250 273 339 212 274 178 222 334 401 304 329 19 cholesterol 1078536 85:3277.0 86:357.0 87:698.0 88:331.0 89:2173.0 90:402.0 91:29340.0 92:4360.0 93:20764.0 94:3772.0 95:27816.0 96:2369.0 97:5814.0 98:576.0 99:1514.0 100:67.0 101:2755.0 102:616.0 103:3141.0 104:1732.0 105:26895.0 106:4885.0 107:20090.0 108:3742.0 109:12657.0 110:1522.0 111:3689.0 112:263.0 113:906.0 114:11.0 115:5342.0 116:2555.0 117:9801.0 118:2755.0 119:20567.0 120:8989.0 121:16634.0 122:2141.0 123:4503.0 124:437.0 125:1170.0 127:1663.0 128:3577.0 129:54005.0 130:8829.0 131:13284.0 132:3825.0 133:11161.0 134:2718.0 135:6902.0 136:1043.0 137:1921.0 138:221.0 139:366.0 140:34.0 141:1736.0 142:1564.0 143:8660.0 144:2673.0 145:14947.0 146:3939.0 147:8061.0 148:1915.0 149:3985.0 150:610.0 151:1319.0 152:408.0 153:758.0 154:319.0 155:3169.0 156:1021.0 157:3810.0 158:1828.0 159:9076.0 160:5601.0 161:6795.0 162:1227.0 163:4384.0 164:458.0 165:1284.0 166:161.0 167:384.0 168:347.0 169:1185.0 170:423.0 171:2081.0 172:834.0 173:3703.0 174:1262.0 175:2235.0 176:439.0 177:1560.0 178:113.0 179:858.0 180:243.0 181:887.0 182:560.0 183:716.0 184:280.0 185:1819.0 186:590.0 187:1277.0 188:206.0 189:1339.0 190:309.0 191:332.0 192:162.0 193:955.0 194:180.0 195:202.0 196:482.0 197:729.0 198:263.0 199:1768.0 200:662.0 201:1515.0 202:242.0 203:1729.0 204:370.0 205:745.0 206:395.0 207:1056.0 208:276.0 209:107.0 210:110.0 211:254.0 212:189.0 213:3077.0 214:734.0 215:1368.0 216:439.0 217:1498.0 218:326.0 219:1206.0 220:313.0 221:23.0 224:30.0 225:87.0 226:79.0 227:502.0 228:534.0 229:661.0 230:170.0 231:364.0 232:115.0 233:900.0 234:177.0 235:204.0 236:85.0 237:55.0 238:52.0 239:177.0 240:60.0 241:339.0 242:144.0 243:210.0 244:59.0 245:572.0 246:461.0 247:2344.0 248:403.0 249:125.0 250:59.0 252:53.0 253:179.0 254:30.0 255:2800.0 256:601.0 257:163.0 258:64.0 259:538.0 260:243.0 261:199.0 263:32.0 264:23.0 265:65.0 273:274.0 274:225.0 275:639.0 276:187.0 281:145.0 282:75.0 283:120.0 284:36.0 285:63.0 286:82.0 287:170.0 288:74.0 289:90.0 290:43.0 291:75.0 292:49.0 293:15.0 296:49.0 297:104.0 298:74.0 299:129.0 300:98.0 301:381.0 302:72.0 303:115.0 306:40.0 309:24.0 310:40.0 311:54.0 313:138.0 314:139.0 315:97.0 316:21.0 317:63.0 325:87.0 326:283.0 327:494.0 328:1516.0 329:5692.0 330:1874.0 331:297.0 332:48.0 333:26.0 339:121.0 340:250.0 341:51.0 342:94.0 345:35.0 348:13.0 350:24.0 352:51.0 353:2296.0 354:1049.0 355:294.0 356:56.0 359:28.0 360:26.0 366:37.0 367:311.0 368:4398.0 369:2014.0 370:454.0 371:32.0 373:31.0 377:19.0 381:21.0 383:18.0 384:15.0 387:31.0 389:26.0 401:14.0 402:26.0 409:16.0 418:10.0 420:7.0 426:14.0 430:34.0 443:382.0 444:223.0 445:52.0 448:21.0 452:20.0 455:31.0 456:34.0 457:237.0 458:1008.0 459:866.0 460:253.0 461:82.0 462:32.0 484:18.0 486:19.0 C00187 5997 641 702 664 547 806 398 586 764 589 271 345 203 249 217 346 165 341 295 301 149 149 554 399 105 332 68 180 385 262 357 247 206 231 342 326 199 404 698 501 329 260 247 298 299 241 244 223 286 113 55 49 237 78 292 201 137 196 209 307 289 232 162 152 1769 324 359 105 739 336 536 335 394 351 176 215 277 303 182 519 192 217 225 13 84 338 286 282 3148 208 107 305 299 179 87 145 17982 cerotinic acid 1033286 85:1295.0 86:158.0 88:1.0 89:242.0 91:67.0 93:95.0 95:1309.0 96:191.0 97:1943.0 98:1236.0 99:444.0 101:240.0 102:74.0 104:114.0 105:273.0 106:1.0 108:119.0 109:514.0 111:676.0 112:371.0 113:1.0 114:1.0 115:99.0 116:520.0 117:19706.0 118:1850.0 119:625.0 120:16.0 121:455.0 122:38.0 123:291.0 124:92.0 125:288.0 129:8151.0 130:948.0 131:2365.0 132:8532.0 133:1938.0 134:337.0 135:577.0 136:86.0 137:241.0 140:82.0 142:67.0 143:1023.0 144:297.0 145:7017.0 146:912.0 148:5.0 149:2.0 150:8.0 151:1.0 153:31.0 154:24.0 155:57.0 156:72.0 157:76.0 159:576.0 160:16.0 161:258.0 162:139.0 163:183.0 164:68.0 165:159.0 167:34.0 169:14.0 171:274.0 172:35.0 173:50.0 174:93.0 175:96.0 177:40.0 179:270.0 180:55.0 181:18.0 182:69.0 183:110.0 184:38.0 185:671.0 186:59.0 187:484.0 188:181.0 189:144.0 190:183.0 192:217.0 193:1193.0 194:444.0 195:330.0 196:168.0 197:169.0 199:48.0 201:1388.0 202:244.0 203:89.0 204:61.0 205:229.0 206:199.0 207:998.0 208:332.0 209:640.0 210:187.0 211:26.0 212:19.0 213:158.0 215:228.0 216:22.0 217:36.0 218:171.0 219:28.0 221:128.0 222:253.0 224:74.0 225:9.0 226:58.0 227:200.0 228:7.0 229:141.0 230:128.0 231:93.0 232:14.0 233:51.0 234:36.0 235:122.0 236:20.0 237:179.0 239:157.0 241:256.0 242:48.0 243:160.0 246:58.0 247:8.0 249:59.0 250:69.0 251:155.0 252:91.0 253:241.0 254:151.0 255:255.0 256:10.0 257:179.0 258:29.0 260:14.0 261:12.0 263:88.0 265:60.0 266:27.0 267:218.0 268:46.0 269:150.0 270:81.0 271:18.0 272:29.0 273:22.0 274:36.0 275:41.0 276:13.0 277:5.0 279:94.0 280:278.0 281:960.0 282:589.0 283:488.0 284:136.0 285:56.0 286:17.0 290:16.0 291:70.0 292:39.0 293:73.0 294:72.0 295:321.0 296:128.0 297:504.0 298:115.0 299:119.0 300:39.0 303:15.0 304:5.0 305:114.0 307:20.0 308:37.0 309:71.0 310:109.0 311:155.0 312:111.0 313:176.0 314:49.0 315:53.0 316:11.0 317:11.0 319:12.0 320:35.0 321:14.0 323:44.0 324:45.0 325:251.0 326:211.0 327:617.0 328:323.0 329:232.0 330:33.0 331:11.0 334:30.0 336:2.0 337:19.0 338:8.0 339:57.0 340:88.0 341:366.0 342:220.0 343:347.0 344:83.0 345:33.0 346:21.0 347:71.0 348:30.0 352:8.0 354:17.0 355:287.0 356:205.0 358:58.0 359:25.0 360:6.0 363:3.0 364:1.0 365:26.0 367:55.0 368:34.0 369:113.0 370:43.0 372:7.0 373:14.0 374:3.0 375:60.0 377:24.0 378:1.0 383:124.0 384:26.0 385:141.0 386:33.0 387:173.0 388:74.0 389:74.0 392:20.0 394:9.0 396:39.0 397:32.0 398:18.0 399:140.0 400:100.0 401:136.0 402:130.0 403:118.0 404:14.0 405:26.0 408:43.0 409:69.0 410:40.0 411:37.0 412:35.0 413:28.0 414:22.0 415:38.0 416:276.0 417:166.0 418:30.0 420:36.0 424:19.0 425:79.0 426:128.0 427:56.0 428:11.0 429:121.0 430:56.0 432:3.0 433:8.0 434:46.0 435:56.0 436:31.0 440:19.0 442:21.0 443:10.0 444:24.0 445:5.0 447:72.0 449:22.0 450:5.0 451:24.0 452:97.0 453:1044.0 454:717.0 455:209.0 456:63.0 459:28.0 460:67.0 461:91.0 462:74.0 463:75.0 465:19.0 468:310.0 469:256.0 470:147.0 471:32.0 472:14.0 473:12.0 474:53.0 475:185.0 476:155.0 477:135.0 478:85.0 480:1.0 481:15.0 482:15.0 486:31.0 489:299.0 490:128.0 491:114.0 492:9.0 493:24.0 499:6.0 0 10469 149 125 132 211 183 153 187 71 152 107 163 240 146 252 106 262 186 118 280 210 336 150 160 248 153 221 159 232 261 167 196 185 133 127 117 223 95 219 117 241 196 271 390 108 221 182 178 110 208 259 162 144 222 138 191 243 144 276 121 31 147 103 131 89 89 149 69 109 149 69 160 180 147 225 180 189 326 147 132 215 241 201 276 219 230 159 196 193 198 252 183 206 221 185 201 6866 caprylic acid 343457 85:59.0 86:798.0 87:223.0 88:510.0 89:1377.0 90:189.0 95:33.0 97:16.0 98:32.0 99:40.0 100:399.0 101:2158.0 102:361.0 103:5236.0 104:718.0 105:608.0 106:42.0 109:166.0 110:56.0 113:210.0 114:71.0 115:93.0 116:330.0 117:11722.0 118:1237.0 119:890.0 120:77.0 126:65.0 129:2848.0 130:455.0 131:1940.0 132:1583.0 133:4028.0 134:684.0 135:115.0 140:1.0 142:10.0 143:100.0 145:423.0 146:62.0 147:4390.0 148:1733.0 149:996.0 150:204.0 155:2.0 156:2.0 157:95.0 159:256.0 161:22.0 163:118.0 164:33.0 168:151.0 173:69.0 174:1128.0 175:777.0 176:295.0 177:209.0 187:36.0 188:13.0 192:30.0 199:2.0 200:2.0 201:2573.0 202:416.0 203:338.0 204:445.0 205:2222.0 206:569.0 208:12.0 217:91.0 219:177.0 220:137.0 221:172.0 224:2.0 229:5.0 232:10.0 233:3.0 234:21.0 238:6.0 239:7.0 240:1.0 241:2.0 252:2.0 253:2.0 254:10.0 256:5.0 257:3.0 258:1.0 260:3.0 261:1.0 262:6.0 264:8.0 266:19.0 270:2.0 271:3.0 272:1.0 273:1.0 274:4.0 279:49.0 280:17.0 282:1.0 287:29.0 289:14.0 290:8.0 292:1.0 293:101.0 294:11.0 295:32.0 304:4.0 307:3.0 308:4.0 309:4.0 310:26.0 311:1.0 313:2.0 318:2.0 324:3.0 325:17.0 326:89.0 327:10.0 329:25.0 330:11.0 339:6.0 340:7.0 341:27.0 342:16.0 343:39.0 344:16.0 345:8.0 346:23.0 356:25.0 357:14.0 358:30.0 359:44.0 360:52.0 361:7.0 363:27.0 364:34.0 376:21.0 377:11.0 378:17.0 379:17.0 380:10.0 388:2.0 390:6.0 391:27.0 392:11.0 394:25.0 396:2.0 407:9.0 408:21.0 409:13.0 410:8.0 413:9.0 419:6.0 421:15.0 422:19.0 425:32.0 426:42.0 428:14.0 432:10.0 433:5.0 437:1.0 441:11.0 443:7.0 446:39.0 455:7.0 459:8.0 462:17.0 472:11.0 473:9.0 477:11.0 478:39.0 479:15.0 481:5.0 483:4.0 486:6.0 494:13.0 498:6.0 C06423 379 4261 2701 2566 3141 3518 2708 2258 5267 3529 2951 5443 5845 5718 3685 3564 3850 5353 3138 4682 3301 4856 4810 3529 4391 5634 2488 4170 3206 3474 3119 4266 3219 4504 4220 2972 2684 3866 5085 2567 4462 5017 5575 3993 5090 1107 5439 4908 3015 2339 2420 5233 3336 3323 1948 2410 3377 2896 2754 6193 2818 3396 5189 4940 2668 3553 2880 3881 2972 4555 2019 4475 4513 4764 3548 3728 2711 3243 3722 2994 4257 2988 2922 2338 3918 2551 4967 2585 3950 3016 4809 3431 5607 2664 3424 229 726 capric acid 451790 85:361.0 86:211.0 87:97.0 88:188.0 89:198.0 91:72.0 92:53.0 93:28.0 95:596.0 97:211.0 98:268.0 99:154.0 100:272.0 101:339.0 102:103.0 105:195.0 107:56.0 108:74.0 109:24.0 111:141.0 112:93.0 115:176.0 116:533.0 117:8029.0 118:528.0 119:291.0 122:50.0 123:33.0 125:55.0 126:57.0 129:3117.0 130:404.0 131:2042.0 132:1733.0 133:413.0 134:170.0 136:42.0 138:29.0 139:27.0 143:208.0 145:657.0 150:34.0 152:47.0 153:55.0 155:102.0 156:55.0 157:88.0 158:44.0 159:184.0 160:26.0 165:63.0 166:33.0 167:65.0 169:51.0 171:44.0 173:80.0 184:71.0 185:175.0 187:96.0 188:44.0 190:51.0 193:19.0 194:19.0 195:27.0 196:22.0 197:28.0 199:49.0 200:32.0 201:187.0 202:121.0 203:33.0 205:44.0 210:27.0 212:23.0 214:56.0 215:48.0 217:38.0 218:39.0 219:23.0 220:35.0 222:66.0 223:31.0 224:47.0 227:21.0 228:95.0 229:1694.0 230:344.0 231:48.0 234:22.0 235:49.0 238:19.0 239:38.0 242:30.0 244:74.0 248:24.0 249:32.0 251:16.0 259:43.0 261:21.0 262:83.0 264:21.0 265:71.0 266:63.0 268:31.0 271:28.0 273:39.0 275:29.0 276:20.0 277:33.0 278:15.0 279:21.0 280:23.0 283:27.0 284:37.0 285:44.0 286:20.0 287:48.0 288:44.0 290:48.0 291:54.0 292:24.0 294:19.0 296:30.0 297:40.0 298:43.0 299:56.0 300:50.0 301:21.0 302:32.0 304:9.0 305:13.0 306:63.0 307:48.0 308:35.0 309:16.0 310:21.0 311:47.0 312:37.0 313:32.0 315:25.0 316:23.0 317:19.0 319:28.0 320:39.0 321:30.0 322:38.0 323:28.0 324:40.0 325:25.0 326:17.0 327:34.0 328:41.0 329:42.0 330:49.0 331:36.0 334:54.0 335:44.0 337:55.0 338:18.0 339:42.0 340:42.0 341:27.0 342:40.0 343:38.0 344:10.0 346:50.0 347:17.0 348:48.0 350:37.0 351:30.0 352:52.0 353:25.0 354:60.0 357:37.0 358:12.0 361:11.0 363:44.0 367:48.0 368:36.0 369:42.0 373:41.0 378:34.0 379:30.0 380:18.0 382:46.0 384:60.0 386:28.0 387:43.0 388:36.0 389:12.0 390:36.0 391:21.0 393:42.0 395:25.0 396:33.0 397:47.0 398:43.0 399:18.0 400:35.0 401:34.0 404:63.0 405:29.0 406:56.0 408:35.0 409:46.0 412:11.0 413:26.0 414:46.0 415:46.0 416:16.0 417:56.0 418:13.0 419:56.0 420:38.0 421:36.0 422:44.0 423:14.0 424:34.0 427:51.0 428:30.0 429:19.0 430:40.0 431:26.0 432:18.0 433:52.0 434:43.0 438:47.0 439:18.0 440:55.0 441:31.0 442:38.0 444:29.0 445:50.0 447:38.0 453:23.0 455:18.0 456:37.0 457:37.0 458:16.0 460:24.0 462:22.0 466:27.0 470:25.0 471:40.0 473:28.0 474:22.0 475:24.0 476:16.0 478:42.0 480:28.0 482:22.0 487:36.0 490:40.0 493:32.0 495:19.0 497:31.0 498:16.0 500:40.0 C01571 2969 777 510 523 882 870 732 579 497 590 997 571 897 986 1164 628 892 641 657 1112 638 959 1102 595 1045 929 908 652 1046 915 742 795 831 697 674 421 876 729 1018 617 810 1255 1003 1154 619 309 1172 728 405 764 525 889 774 1070 550 480 750 472 789 957 612 707 658 585 590 766 663 926 780 729 470 685 2248 807 660 503 637 661 765 523 560 792 737 767 723 573 797 769 539 673 671 644 1381 824 421 142 2047 butyrolactam NIST 277199 85:20.0 86:58.0 88:236.0 89:101.0 99:89.0 100:965.0 101:112.0 102:36.0 107:15.0 108:64.0 110:113.0 112:60.0 113:20.0 114:80.0 115:83.0 116:36.0 134:97.0 140:21.0 142:4184.0 143:458.0 144:89.0 155:31.0 156:217.0 157:779.0 158:23.0 173:153.0 184:27.0 185:7.0 199:33.0 213:132.0 302:10.0 306:2.0 314:3.0 0 12025 3705 2995 7634 4707 2811 4869 2371 3205 3864 2255 1666 2066 812 3594 1085 1383 904 1036 887 1799 1343 2097 2573 1226 1093 2208 2596 1174 1176 2057 1140 3336 1179 1316 1050 2225 1697 1952 4382 1505 1787 1549 1774 1304 1006 1352 746 1444 1141 921 1171 1096 1979 1555 1389 2434 2021 1174 3000 1629 1227 874 1193 2651 2654 2966 2276 1478 1849 1350 2987 1723 1974 1591 1230 920 1992 1055 1680 990 2213 1245 873 1504 1226 2734 1488 906 2375 956 890 1322 2898 1066 248 148 beta-alanine 435564 85:228.0 86:3117.0 87:240.0 90:32.0 93:32.0 95:19.0 99:386.0 100:1891.0 101:337.0 102:313.0 103:237.0 104:118.0 107:63.0 113:116.0 114:91.0 117:236.0 119:17.0 120:39.0 129:105.0 130:635.0 133:1533.0 134:301.0 135:92.0 137:24.0 142:51.0 146:224.0 147:2196.0 148:431.0 160:346.0 161:56.0 162:41.0 164:29.0 168:16.0 170:19.0 172:67.0 173:3.0 174:3380.0 175:583.0 176:292.0 181:27.0 187:19.0 188:94.0 189:42.0 199:15.0 202:47.0 203:21.0 211:16.0 213:22.0 214:43.0 229:20.0 232:136.0 236:20.0 241:13.0 247:23.0 248:2136.0 249:543.0 250:246.0 251:76.0 258:17.0 265:23.0 275:23.0 276:29.0 277:36.0 279:16.0 283:18.0 289:40.0 290:263.0 291:86.0 292:32.0 297:15.0 298:13.0 301:35.0 305:16.0 306:25.0 315:7.0 323:19.0 330:21.0 333:18.0 334:20.0 335:16.0 341:16.0 346:20.0 357:35.0 366:27.0 371:15.0 390:21.0 403:18.0 406:21.0 408:12.0 421:22.0 427:25.0 442:16.0 450:29.0 458:21.0 460:14.0 464:27.0 466:21.0 475:17.0 476:24.0 480:16.0 486:22.0 488:15.0 491:19.0 492:12.0 495:22.0 499:29.0 C00099 239 86 107 73 121 105 68 142 66 89 152 114 103 124 115 92 122 167 148 133 99 216 150 95 141 64 121 70 131 79 109 80 105 144 78 109 143 132 130 110 137 92 123 107 103 171 135 93 60 100 77 69 117 125 103 74 169 95 136 127 113 108 137 128 117 75 82 76 99 107 70 122 78 105 140 122 76 78 125 70 109 123 126 105 119 98 76 72 67 99 99 118 134 98 86 179 34148 benzoic acid 339214 85:1157.0 86:1734.0 87:2480.0 88:121.0 89:513.0 90:980.0 91:549.0 92:250.0 93:77.0 94:121.0 95:181.0 96:222.0 97:454.0 98:347.0 99:9572.0 101:42.0 102:702.0 103:388.0 104:400.0 105:35970.0 106:2911.0 107:507.0 108:188.0 109:90.0 111:1502.0 112:267.0 113:535.0 114:841.0 115:1284.0 116:2857.0 117:1721.0 118:67.0 119:303.0 120:76.0 121:549.0 122:100.0 123:143.0 125:83.0 126:12.0 127:218.0 128:145.0 129:84.0 131:3270.0 132:1825.0 133:1461.0 134:723.0 135:23474.0 136:3212.0 137:972.0 138:199.0 139:94.0 140:274.0 141:823.0 142:89.0 143:174.0 144:443.0 145:254.0 146:2235.0 149:4587.0 150:491.0 151:396.0 152:371.0 154:31.0 155:981.0 156:66.0 157:962.0 158:238.0 159:455.0 160:541.0 161:127.0 162:20.0 163:155.0 164:132.0 165:106.0 166:99.0 167:52.0 168:74.0 169:250.0 170:71.0 171:44683.0 172:7213.0 173:1844.0 174:90.0 176:180.0 177:83.0 178:263.0 179:30922.0 180:4741.0 181:1483.0 182:357.0 183:234.0 184:199.0 185:200.0 186:2745.0 187:689.0 188:627.0 189:75.0 190:520.0 191:438.0 192:71.0 193:1100.0 194:2629.0 195:352.0 196:240.0 197:124.0 198:313.0 199:18.0 200:207.0 201:96.0 202:202.0 204:1598.0 205:110.0 206:104.0 207:29.0 209:37.0 211:31.0 212:39.0 214:68.0 216:6.0 217:26.0 219:35.0 220:10.0 234:94.0 241:11.0 247:86.0 253:6.0 256:25.0 259:2.0 261:38.0 262:25.0 285:11.0 288:4.0 293:9.0 298:8.0 299:6.0 338:33.0 340:13.0 351:9.0 362:5.0 368:37.0 379:15.0 438:3.0 448:16.0 463:6.0 466:2.0 495:28.0 C00180 243 8665 6566 6584 8268 8399 8084 6479 5468 6670 8233 7361 13473 13630 14133 8754 16108 12466 13266 18309 11085 15684 11444 7718 14032 10379 9403 9942 12851 13502 10482 9905 10710 11483 9548 6925 11601 8234 11263 7482 14808 15786 13703 12797 11072 5276 21257 11151 6996 9220 8434 13123 13601 13509 8534 10956 10286 9929 11409 13579 10558 11368 11035 13948 7758 8198 5874 7300 7357 7525 4252 9140 8664 11826 13109 8745 9533 11165 12037 6131 12247 11037 9907 7807 12124 9894 12018 12719 8707 11945 11230 11182 14049 9693 9503 117 46315 behenic acid 920648 89:63.0 90:3.0 96:62.0 98:113.0 116:141.0 117:2302.0 118:208.0 121:9.0 123:25.0 129:995.0 130:112.0 131:119.0 132:880.0 133:179.0 135:29.0 136:5.0 137:25.0 142:23.0 143:98.0 145:236.0 146:32.0 148:40.0 149:92.0 150:14.0 151:20.0 159:48.0 171:13.0 173:12.0 176:19.0 185:40.0 187:53.0 195:1.0 196:10.0 200:36.0 202:12.0 205:33.0 216:10.0 219:5.0 226:7.0 227:15.0 231:24.0 235:4.0 241:33.0 243:42.0 247:17.0 258:1.0 275:1.0 289:17.0 292:22.0 296:7.0 307:2.0 313:20.0 321:14.0 327:5.0 329:4.0 340:10.0 341:15.0 343:6.0 346:3.0 348:5.0 353:22.0 365:6.0 366:1.0 374:6.0 376:6.0 378:8.0 381:14.0 390:5.0 395:7.0 396:29.0 397:228.0 398:125.0 399:53.0 406:16.0 411:7.0 412:37.0 413:47.0 414:5.0 426:25.0 433:13.0 435:10.0 457:4.0 461:15.0 470:14.0 475:9.0 477:9.0 487:7.0 492:15.0 C08281 8215 580 765 602 437 1177 623 577 472 733 841 540 1144 983 1139 822 861 953 1776 1110 1349 1484 1656 538 1176 706 976 931 995 1947 1203 1287 763 720 1413 563 1604 1330 770 804 1052 1633 1272 1688 347 749 1075 578 501 924 587 927 1378 1365 763 564 789 671 1045 739 817 685 480 749 1037 677 830 677 865 912 633 719 1184 1442 1497 1234 1208 1347 1313 606 794 1290 689 1112 841 620 857 850 1609 982 1215 1281 1191 1263 1013 317 16968 azelaic acid 610651 85:2096.0 86:1225.0 87:259.0 88:843.0 89:1168.0 90:288.0 91:1560.0 93:4695.0 95:1119.0 96:642.0 97:6057.0 98:933.0 99:2012.0 101:684.0 102:246.0 105:938.0 106:105.0 107:5683.0 108:250.0 109:2432.0 110:689.0 111:6645.0 112:391.0 114:111.0 115:730.0 116:6544.0 117:17178.0 118:1477.0 119:992.0 123:2641.0 124:3727.0 125:2141.0 126:84.0 128:71.0 129:18035.0 130:2209.0 131:2007.0 132:1359.0 133:2234.0 134:134.0 135:1966.0 136:150.0 137:174.0 139:255.0 143:1754.0 144:584.0 145:2153.0 146:219.0 147:8702.0 148:1308.0 149:20836.0 150:3244.0 151:2729.0 152:10333.0 153:2802.0 154:178.0 155:621.0 156:672.0 157:971.0 158:1486.0 159:2054.0 160:153.0 161:22.0 162:375.0 163:76.0 165:52.0 169:621.0 170:205.0 171:2784.0 172:320.0 173:113.0 174:149.0 179:496.0 183:1456.0 184:391.0 185:1777.0 186:252.0 187:202.0 188:516.0 189:245.0 190:56.0 192:193.0 194:191.0 197:472.0 199:2005.0 200:608.0 201:10127.0 202:1700.0 203:1220.0 204:4.0 205:192.0 207:2465.0 208:224.0 209:785.0 210:191.0 212:11.0 213:254.0 214:1410.0 215:261.0 216:77.0 217:1560.0 218:850.0 219:1441.0 220:122.0 225:673.0 226:56.0 227:192.0 231:46.0 232:85.0 233:140.0 234:1015.0 235:110.0 236:133.0 242:240.0 243:248.0 244:99.0 245:34.0 246:38.0 249:660.0 250:87.0 253:26.0 257:433.0 259:5.0 260:510.0 261:82.0 262:223.0 263:84.0 264:7.0 272:9.0 273:672.0 274:108.0 275:171.0 276:10.0 277:17.0 278:40.0 279:2.0 281:19.0 285:6.0 286:181.0 287:52.0 289:7.0 292:5.0 293:852.0 294:228.0 295:87.0 298:5.0 299:21.0 300:13.0 301:145.0 307:7.0 308:338.0 309:37.0 310:42.0 311:35.0 313:79.0 315:12.0 316:135.0 317:7826.0 318:1956.0 319:806.0 320:70.0 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129:72.0 130:177.0 132:82.0 133:399.0 134:83.0 142:92.0 147:1028.0 148:289.0 149:74.0 160:33.0 163:47.0 164:28.0 173:22.0 174:51.0 188:319.0 189:76.0 190:42.0 202:314.0 203:31.0 204:79.0 216:94.0 218:511.0 219:116.0 220:18.0 232:2572.0 233:417.0 234:183.0 235:21.0 267:39.0 291:15.0 306:42.0 315:14.0 316:15.0 335:36.0 344:20.0 365:13.0 379:16.0 408:22.0 482:15.0 485:20.0 494:14.0 497:35.0 C00049 5960 349 344 231 314 366 224 307 203 462 497 412 601 641 923 1807 678 656 423 949 712 1299 893 344 442 803 729 538 355 674 366 1075 426 496 626 461 515 389 504 334 605 556 395 665 416 426 1236 296 325 401 420 387 684 458 514 235 740 204 708 481 338 372 333 361 576 256 244 261 369 430 343 269 503 394 454 587 368 431 1086 389 492 485 354 565 573 759 342 280 3687 439 488 395 480 323 420 188 146 asparagine 553078 86:261.0 87:142.0 88:87.0 89:283.0 90:151.0 91:43.0 92:46.0 93:35.0 98:167.0 100:1725.0 101:112.0 102:22.0 104:36.0 107:43.0 108:48.0 109:43.0 111:105.0 112:77.0 113:62.0 114:223.0 115:405.0 116:5151.0 117:1014.0 118:309.0 119:90.0 120:36.0 125:136.0 126:95.0 128:266.0 130:448.0 131:829.0 132:2241.0 133:857.0 134:239.0 135:54.0 137:47.0 141:1377.0 142:341.0 143:178.0 144:126.0 145:46.0 146:126.0 147:2699.0 148:344.0 149:308.0 150:69.0 151:39.0 152:16.0 154:23.0 155:16.0 156:24.0 158:69.0 159:423.0 160:58.0 161:69.0 168:18.0 172:124.0 173:227.0 174:87.0 176:58.0 179:18.0 181:21.0 183:18.0 186:15.0 188:1132.0 189:241.0 190:194.0 191:45.0 192:24.0 198:17.0 199:60.0 200:23.0 201:66.0 202:375.0 203:114.0 204:161.0 205:169.0 206:99.0 207:59.0 209:21.0 210:18.0 211:17.0 213:86.0 214:72.0 215:185.0 216:111.0 217:148.0 218:371.0 219:63.0 220:25.0 223:25.0 224:22.0 227:27.0 228:20.0 229:33.0 230:32.0 231:1151.0 232:266.0 233:112.0 234:35.0 237:20.0 240:17.0 242:50.0 243:101.0 244:54.0 245:24.0 246:28.0 247:30.0 249:18.0 251:31.0 254:13.0 257:13.0 258:201.0 259:60.0 261:19.0 263:75.0 265:45.0 270:23.0 275:42.0 276:19.0 278:25.0 280:34.0 281:38.0 282:26.0 288:28.0 292:61.0 293:16.0 294:13.0 300:23.0 301:40.0 303:15.0 305:19.0 306:26.0 307:58.0 309:11.0 311:20.0 312:19.0 314:29.0 315:35.0 316:36.0 317:25.0 318:17.0 321:26.0 325:46.0 327:20.0 328:13.0 329:36.0 331:33.0 333:52.0 334:24.0 335:95.0 336:37.0 337:24.0 338:31.0 339:32.0 344:15.0 348:36.0 350:18.0 359:21.0 365:12.0 369:25.0 380:19.0 383:31.0 385:28.0 389:25.0 391:31.0 392:17.0 393:19.0 403:24.0 406:30.0 408:18.0 413:14.0 414:28.0 416:26.0 417:15.0 418:13.0 419:16.0 422:16.0 426:21.0 428:20.0 435:30.0 436:13.0 437:22.0 442:20.0 445:13.0 447:22.0 451:26.0 453:13.0 457:24.0 458:30.0 459:19.0 460:26.0 462:24.0 464:41.0 469:24.0 470:41.0 497:33.0 500:26.0 C00152 6267 1399 1148 2089 809 1464 932 1671 1061 1364 1000 1305 2798 2082 1899 2510 1000 2522 2256 2447 1204 2075 2311 3188 1829 2725 1778 1607 1471 1774 1206 1984 2350 2773 1482 2476 1206 1294 1442 1674 1149 1746 1534 1328 2391 1340 1789 1986 2281 1698 1530 1426 2352 1386 2339 2290 1971 1642 1403 2060 2288 1705 1604 1796 1252 949 715 787 1300 1287 1147 690 2446 1833 1329 1606 1525 1637 1193 1187 1797 1843 1657 1966 1409 1594 1160 1729 2938 1627 1641 1518 1269 1222 1854 332 238 ascorbic acid 672898 85:135.0 86:135.0 87:248.0 88:196.0 89:2251.0 90:375.0 93:178.0 94:27.0 95:496.0 97:119.0 98:172.0 99:591.0 101:524.0 103:2328.0 104:337.0 105:143.0 109:261.0 111:411.0 113:46.0 114:178.0 115:672.0 116:132.0 117:10603.0 118:841.0 119:893.0 121:54.0 122:44.0 123:190.0 125:19.0 126:59.0 127:410.0 128:196.0 131:1308.0 132:231.0 133:3873.0 134:556.0 135:442.0 136:83.0 137:62.0 139:81.0 140:1.0 141:157.0 142:744.0 143:700.0 144:82.0 145:57.0 146:50.0 147:19514.0 148:3661.0 149:2433.0 150:152.0 151:220.0 153:208.0 154:158.0 155:197.0 156:112.0 157:353.0 159:216.0 162:17.0 163:100.0 164:12.0 165:72.0 168:24.0 169:429.0 170:323.0 171:66.0 172:84.0 173:193.0 175:197.0 176:63.0 177:37.0 178:58.0 179:40.0 181:45.0 183:127.0 187:86.0 188:54.0 189:181.0 190:67.0 191:360.0 192:79.0 193:103.0 197:84.0 199:147.0 200:73.0 201:301.0 202:14.0 204:36.0 205:2659.0 206:590.0 207:356.0 208:64.0 209:71.0 210:37.0 211:98.0 212:22.0 214:88.0 215:715.0 216:151.0 217:362.0 219:146.0 220:33.0 221:636.0 222:161.0 223:45.0 224:7.0 227:67.0 228:52.0 230:23.0 231:110.0 232:64.0 234:27.0 235:28.0 236:29.0 237:14.0 242:66.0 243:214.0 244:125.0 245:73.0 246:28.0 247:47.0 248:29.0 250:33.0 252:13.0 254:42.0 255:29.0 257:242.0 258:289.0 259:370.0 260:198.0 261:75.0 262:33.0 267:18.0 268:8.0 269:78.0 271:85.0 275:48.0 276:36.0 277:19.0 282:26.0 285:60.0 287:14.0 288:22.0 294:37.0 296:17.0 297:24.0 298:38.0 299:53.0 300:11.0 301:29.0 303:316.0 304:324.0 305:286.0 306:106.0 307:62.0 308:25.0 311:23.0 314:27.0 315:49.0 317:61.0 319:56.0 320:26.0 323:18.0 324:24.0 329:8.0 330:75.0 331:480.0 332:4247.0 333:1407.0 334:376.0 335:36.0 337:43.0 343:35.0 345:378.0 346:188.0 350:25.0 354:48.0 357:22.0 358:46.0 359:337.0 360:139.0 361:205.0 362:97.0 363:45.0 371:23.0 374:391.0 382:27.0 394:7.0 395:28.0 398:8.0 408:33.0 410:15.0 415:21.0 419:87.0 421:42.0 422:33.0 425:31.0 437:25.0 438:8.0 447:39.0 448:36.0 449:145.0 451:35.0 462:12.0 473:41.0 475:30.0 499:18.0 C00072 54670067 4852 1794 2084 1218 2914 836 7959 899 4121 3881 1397 290 705 453 1481 480 407 628 733 966 318 997 3821 797 228 525 575 831 471 378 1221 206 1022 1337 1523 648 1623 7162 807 661 204 315 891 1165 11333 1292 1114 1044 1152 898 785 790 833 1172 1132 1137 1056 994 1048 1396 1133 904 1251 614 1075 1796 885 9093 991 10219 1944 1185 440 708 778 854 602 467 3314 928 1250 939 881 987 990 886 1013 678 785 507 1159 369 1164 1079 117 291 arachidic acid 856421 85:167.0 89:444.0 90:10.0 92:58.0 93:400.0 94:80.0 95:656.0 98:494.0 99:384.0 100:46.0 102:86.0 105:51.0 107:116.0 110:60.0 111:101.0 113:12.0 115:21.0 116:933.0 117:16860.0 118:1459.0 119:650.0 120:71.0 125:117.0 128:67.0 129:7682.0 130:803.0 132:6486.0 133:1341.0 134:343.0 135:92.0 137:72.0 138:29.0 140:58.0 141:48.0 143:611.0 144:144.0 145:3932.0 146:417.0 157:65.0 159:172.0 160:80.0 161:46.0 164:44.0 168:34.0 171:218.0 172:32.0 174:54.0 185:81.0 199:101.0 201:667.0 202:5.0 208:42.0 213:60.0 217:11.0 225:24.0 227:130.0 229:24.0 243:65.0 246:23.0 262:12.0 269:7.0 272:45.0 278:21.0 280:15.0 285:59.0 297:34.0 312:18.0 317:15.0 325:29.0 326:62.0 336:17.0 341:67.0 369:769.0 370:279.0 371:22.0 C06425 10467 2679 4717 2024 1796 4967 2382 2704 2351 2839 5791 2900 2593 3494 4554 2320 3410 2217 4875 3931 5166 6423 5031 2490 4817 3114 3413 2199 3671 12894 5621 6612 2765 2922 3917 1867 5654 7970 4403 3579 6337 7535 5074 9468 1713 5121 4725 2113 2481 4214 2251 4533 7684 6922 3661 1867 3010 2606 3573 2850 2819 4092 2439 4089 4198 3379 4916 1498 3447 2647 2664 3432 5814 7237 7963 5117 3947 4983 4934 3229 3473 6780 3413 3697 4466 2659 4357 3591 3265 4452 4616 7293 3822 5761 3591 218 413 aminomalonate 455754 86:2942.0 88:141.0 89:112.0 91:83.0 95:21.0 96:52.0 99:117.0 100:1404.0 101:500.0 102:258.0 103:262.0 105:161.0 113:119.0 114:63.0 115:110.0 116:295.0 117:454.0 119:188.0 120:63.0 121:40.0 122:45.0 131:1530.0 132:103.0 133:2100.0 134:376.0 143:19.0 144:92.0 147:5888.0 148:433.0 149:305.0 152:37.0 154:11.0 158:171.0 160:45.0 161:81.0 164:29.0 167:17.0 173:76.0 174:1023.0 175:272.0 176:72.0 178:67.0 184:42.0 188:48.0 204:78.0 205:64.0 211:13.0 213:29.0 218:2826.0 219:556.0 220:208.0 221:31.0 224:31.0 229:15.0 231:22.0 237:16.0 240:7.0 248:256.0 249:114.0 250:61.0 256:21.0 257:46.0 259:31.0 260:6.0 261:16.0 263:24.0 265:54.0 266:30.0 268:16.0 270:38.0 275:9.0 276:83.0 277:42.0 283:37.0 288:12.0 290:10.0 291:27.0 292:411.0 293:171.0 294:35.0 298:33.0 305:24.0 307:55.0 320:685.0 321:241.0 324:12.0 325:14.0 326:17.0 328:29.0 331:20.0 335:38.0 345:15.0 350:18.0 354:21.0 365:13.0 366:45.0 368:34.0 373:17.0 382:11.0 390:43.0 398:28.0 415:20.0 422:14.0 431:12.0 432:28.0 441:23.0 446:19.0 448:13.0 453:13.0 465:17.0 467:30.0 472:13.0 477:58.0 C00872 100714 417 189 224 192 305 208 298 136 202 162 275 280 163 129 501 223 590 502 244 171 360 233 233 82 184 272 242 166 136 302 197 176 183 217 166 122 234 266 309 312 171 113 144 297 146 127 178 108 125 207 88 95 191 137 144 148 106 274 164 135 325 104 193 441 185 179 195 240 262 161 181 114 114 65 158 108 87 137 164 105 135 157 158 161 102 156 114 339 80 171 108 82 126 90 198 294 alpha-ketoglutarate 507392 85:208.0 87:154.0 89:4657.0 90:84.0 91:201.0 94:49.0 98:155.0 99:133.0 101:112.0 102:113.0 103:234.0 110:90.0 112:1654.0 113:180.0 114:75.0 115:296.0 118:19.0 125:56.0 126:615.0 128:246.0 129:323.0 131:331.0 133:422.0 135:87.0 142:51.0 143:95.0 144:23.0 145:67.0 147:7768.0 148:1161.0 149:693.0 152:14.0 154:243.0 155:35.0 156:3139.0 157:398.0 158:205.0 159:36.0 160:14.0 161:16.0 163:100.0 170:1125.0 171:173.0 172:311.0 173:128.0 174:90.0 175:31.0 182:102.0 183:89.0 184:104.0 185:35.0 186:1020.0 187:139.0 190:35.0 198:3239.0 199:335.0 200:204.0 201:209.0 202:664.0 203:43.0 204:45.0 206:13.0 214:29.0 229:539.0 230:93.0 268:20.0 272:44.0 273:25.0 288:551.0 289:122.0 304:395.0 305:40.0 306:19.0 450:18.0 458:20.0 C00026 51 173 161 228 261 230 163 168 187 103 202 168 110 158 159 103 117 112 113 162 95 156 86 135 154 102 197 139 133 137 117 175 123 161 128 117 118 152 140 170 152 124 107 116 97 146 154 157 194 131 93 130 151 162 157 150 212 128 97 232 226 86 155 121 250 223 168 219 91 187 147 204 287 148 139 207 233 142 125 152 137 133 190 170 174 225 93 169 433 147 149 68 132 84 251 116 34178 alanine 243971 85:333.0 86:2106.0 87:467.0 88:280.0 89:5.0 90:53.0 91:138.0 92:168.0 93:215.0 94:1333.0 95:43.0 96:6.0 98:74.0 99:48.0 100:4652.0 101:1063.0 102:1419.0 103:3674.0 104:501.0 105:328.0 106:3.0 108:75.0 109:236.0 110:175.0 112:94.0 114:926.0 115:860.0 116:84295.0 117:10442.0 118:3671.0 119:545.0 120:126.0 121:65.0 122:38.0 123:90.0 124:32.0 125:42.0 126:107.0 127:278.0 128:1618.0 129:278.0 130:1195.0 131:1247.0 132:780.0 133:1866.0 135:398.0 136:368.0 137:39.0 139:7.0 142:27.0 143:261.0 144:292.0 146:372.0 147:16636.0 148:3001.0 149:1208.0 150:56.0 151:156.0 154:1.0 155:10.0 157:1.0 158:89.0 159:33.0 160:61.0 162:20.0 171:25.0 172:1.0 173:9.0 174:443.0 175:142.0 176:51.0 184:797.0 185:124.0 186:37.0 188:40.0 190:3379.0 191:874.0 192:270.0 193:28.0 196:4.0 199:308.0 200:18.0 201:15.0 202:49.0 204:8.0 211:32.0 213:27.0 218:1059.0 219:188.0 220:50.0 225:9.0 227:19.0 229:2.0 230:6.0 232:7.0 233:15.0 234:5.0 273:37.0 289:237.0 290:43.0 292:3.0 302:21.0 322:5.0 340:3.0 343:3.0 345:8.0 360:6.0 372:4.0 391:5.0 397:20.0 405:25.0 408:24.0 413:22.0 416:4.0 421:4.0 432:5.0 457:8.0 467:7.0 471:5.0 474:3.0 478:5.0 481:2.0 482:6.0 499:14.0 C00041 5950 35395 42398 39395 55241 73691 28705 55727 24889 44505 40789 28339 44527 59654 68877 69808 44050 64375 36524 52723 41119 66631 53436 101350 49211 80098 47683 54896 38944 28918 50257 49926 56302 50438 50494 55503 46607 47578 42651 41791 56659 66280 54289 49649 53509 55242 43302 45308 42222 39213 40533 41158 45715 50659 43280 47279 41759 45235 39429 42832 40906 48599 48582 58127 43130 21626 43982 47964 59926 34107 43196 28187 23441 31056 56562 45633 49129 36308 66808 18960 34820 43255 62009 42475 45791 59564 45785 22617 38952 36953 43531 37763 50248 63175 40600 111 125 adipic acid 474435 85:2037.0 86:2852.0 87:703.0 88:641.0 89:904.0 90:27.0 91:64.0 92:167.0 93:122.0 94:58.0 95:60.0 96:79.0 97:441.0 99:4029.0 100:405.0 101:502.0 102:524.0 105:259.0 107:59.0 108:26.0 109:187.0 110:362.0 111:58622.0 112:3744.0 113:1086.0 114:171.0 115:1351.0 116:2824.0 117:11244.0 118:1055.0 119:703.0 120:50.0 123:10.0 124:19.0 125:208.0 126:57.0 128:229.0 129:9390.0 130:2687.0 131:1989.0 132:910.0 133:3866.0 134:574.0 135:363.0 136:36.0 137:28.0 139:134.0 140:91.0 141:22408.0 142:2976.0 143:1671.0 144:12.0 145:426.0 146:254.0 147:25012.0 148:3888.0 149:5613.0 150:383.0 151:303.0 152:35.0 154:141.0 155:180.0 157:2340.0 158:564.0 159:5456.0 160:659.0 161:232.0 162:24.0 163:64.0 164:48.0 166:40.0 167:18.0 170:81.0 171:29.0 172:8835.0 173:1327.0 174:429.0 175:115.0 177:33.0 181:23.0 183:89.0 184:59.0 185:7436.0 186:765.0 187:338.0 188:18.0 189:114.0 191:28.0 197:13.0 198:23.0 199:48.0 200:825.0 201:305.0 202:94.0 203:216.0 204:1408.0 205:327.0 206:103.0 207:55.0 211:18.0 213:19.0 215:387.0 216:72.0 217:1764.0 218:417.0 219:176.0 220:55.0 222:21.0 225:9.0 226:21.0 228:29.0 229:113.0 230:49.0 231:404.0 232:97.0 234:22.0 235:18.0 236:13.0 237:39.0 240:33.0 242:13.0 243:27.0 245:35.0 246:12.0 247:307.0 248:117.0 249:47.0 250:36.0 251:46.0 252:14.0 253:31.0 254:29.0 255:16.0 259:33.0 261:61.0 262:34.0 263:32.0 264:19.0 272:17.0 273:20.0 274:40.0 275:3283.0 276:745.0 278:61.0 284:31.0 286:15.0 288:16.0 290:49.0 291:28.0 292:40.0 297:26.0 298:39.0 304:22.0 307:23.0 310:16.0 314:31.0 315:21.0 316:32.0 318:37.0 321:28.0 322:22.0 323:26.0 324:33.0 325:17.0 327:23.0 328:36.0 329:33.0 330:27.0 332:22.0 333:26.0 335:32.0 336:29.0 342:11.0 343:15.0 345:14.0 348:24.0 349:20.0 350:32.0 354:29.0 359:37.0 361:17.0 363:13.0 364:26.0 365:35.0 369:24.0 373:26.0 374:22.0 375:13.0 377:43.0 380:30.0 382:15.0 387:26.0 389:23.0 391:38.0 392:15.0 393:42.0 398:31.0 400:17.0 406:24.0 407:18.0 408:33.0 411:29.0 413:39.0 417:38.0 421:20.0 423:28.0 424:17.0 426:34.0 427:20.0 428:20.0 430:18.0 432:15.0 435:15.0 436:12.0 437:36.0 438:25.0 439:30.0 441:14.0 444:42.0 446:28.0 448:19.0 450:25.0 455:27.0 456:32.0 458:27.0 460:28.0 461:19.0 462:27.0 465:14.0 467:38.0 468:29.0 470:25.0 472:17.0 474:10.0 475:20.0 476:36.0 478:18.0 483:35.0 484:30.0 485:36.0 486:15.0 488:31.0 490:28.0 492:37.0 493:26.0 494:18.0 495:44.0 496:28.0 497:23.0 499:33.0 C06104 196 700 779 583 517 1235 621 667 1227 1349 856 597 1056 1613 1891 1407 986 1401 1359 1698 2220 1501 1970 857 1497 828 1024 1216 1181 1919 1179 1140 1195 1699 951 817 1623 595 1097 908 1091 1574 1349 1844 1062 748 5078 826 771 1129 813 1142 859 739 1022 983 1376 735 1207 1212 1393 1190 748 874 803 832 730 594 759 904 1152 1126 1019 1200 1138 636 920 887 1738 601 784 1175 1068 1415 1032 983 828 908 698 1229 914 898 1177 762 1141 229 29 aconitic acid 586815 85:823.0 86:194.0 87:662.0 88:337.0 89:711.0 90:119.0 91:200.0 93:1018.0 94:224.0 95:1683.0 96:1733.0 97:6038.0 98:1174.0 99:1242.0 100:178.0 101:600.0 102:310.0 103:1548.0 104:242.0 105:655.0 107:259.0 108:172.0 109:241.0 110:546.0 111:911.0 112:674.0 113:694.0 115:1207.0 116:392.0 117:2280.0 118:273.0 119:1093.0 120:174.0 121:326.0 122:39.0 123:487.0 124:76.0 125:294.0 126:191.0 127:456.0 128:263.0 129:304.0 130:82.0 131:2456.0 132:433.0 133:12641.0 134:1547.0 135:1441.0 136:68.0 137:131.0 138:116.0 139:600.0 140:589.0 141:1958.0 142:188.0 143:858.0 144:141.0 145:165.0 146:30.0 147:68394.0 148:11613.0 149:12191.0 150:1479.0 151:543.0 152:95.0 154:177.0 155:698.0 156:491.0 157:1087.0 158:217.0 159:340.0 160:96.0 161:209.0 163:232.0 164:59.0 166:51.0 168:110.0 169:1152.0 170:278.0 171:563.0 172:174.0 173:223.0 174:29.0 175:113.0 176:36.0 177:524.0 178:117.0 179:97.0 180:39.0 182:241.0 183:650.0 184:1346.0 185:635.0 186:162.0 187:140.0 188:22.0 189:104.0 190:60.0 191:337.0 192:70.0 193:152.0 195:168.0 196:85.0 197:103.0 198:55.0 199:337.0 200:173.0 201:311.0 202:135.0 203:90.0 204:99.0 205:87.0 206:80.0 207:390.0 208:123.0 210:36.0 211:12535.0 212:1859.0 213:1080.0 214:289.0 215:5405.0 216:954.0 217:445.0 218:50.0 220:30.0 221:762.0 222:212.0 223:32.0 224:36.0 226:40.0 227:34.0 228:645.0 229:16572.0 230:3226.0 231:1403.0 232:208.0 233:41.0 236:38.0 237:26.0 239:42.0 240:42.0 241:84.0 242:57.0 243:239.0 245:375.0 246:93.0 248:41.0 252:30.0 253:28.0 254:37.0 255:48.0 256:268.0 257:983.0 258:264.0 259:335.0 260:89.0 263:47.0 265:50.0 268:45.0 270:20.0 271:53.0 272:697.0 273:455.0 274:62.0 275:105.0 278:53.0 284:97.0 285:4739.0 286:1085.0 287:966.0 288:254.0 289:118.0 291:52.0 292:28.0 293:30.0 294:29.0 295:47.0 296:28.0 297:35.0 298:27.0 300:778.0 301:231.0 302:136.0 303:364.0 304:149.0 305:28.0 306:58.0 307:36.0 308:19.0 310:41.0 311:38.0 312:52.0 313:29.0 314:22.0 316:32.0 317:53.0 318:44.0 323:34.0 324:22.0 327:39.0 328:51.0 330:85.0 331:69.0 332:44.0 333:92.0 337:36.0 338:51.0 339:31.0 340:34.0 342:33.0 344:59.0 346:533.0 347:88.0 348:80.0 349:54.0 351:45.0 353:45.0 356:24.0 359:39.0 360:23.0 364:32.0 366:23.0 370:12.0 371:29.0 374:261.0 375:3283.0 376:1199.0 377:532.0 378:147.0 379:88.0 380:60.0 381:50.0 383:60.0 386:48.0 391:63.0 392:31.0 394:35.0 397:36.0 398:50.0 399:15.0 400:39.0 402:27.0 403:20.0 404:55.0 405:27.0 408:39.0 410:25.0 414:19.0 415:50.0 416:36.0 417:27.0 419:31.0 420:12.0 422:26.0 425:38.0 426:34.0 427:43.0 429:25.0 430:48.0 431:21.0 432:50.0 433:21.0 434:53.0 435:17.0 437:21.0 438:51.0 439:35.0 440:37.0 443:31.0 444:35.0 445:62.0 446:40.0 448:28.0 451:37.0 452:27.0 453:51.0 455:36.0 456:47.0 458:23.0 459:33.0 460:25.0 462:40.0 463:20.0 465:53.0 467:31.0 468:24.0 469:53.0 471:36.0 472:20.0 473:30.0 474:23.0 475:30.0 476:35.0 477:39.0 481:40.0 482:48.0 485:25.0 487:25.0 489:38.0 490:20.0 491:33.0 493:18.0 494:18.0 497:19.0 499:30.0 500:27.0 C00417 643757 422 384 442 233 595 162 237 135 668 191 414 474 1105 388 1012 284 552 1178 847 538 455 751 735 581 649 565 38 483 605 668 707 366 949 898 784 507 576 349 254 105 1054 283 277 732 318 555 805 1009 638 470 1038 510 463 642 579 750 743 326 948 771 560 532 772 653 242 201 213 423 279 454 191 1115 516 481 631 687 867 464 209 475 930 340 359 538 621 336 658 710 725 551 585 650 447 1010 105 3524 acetophenone NIST 238615 86:906.0 88:164.0 89:151.0 90:168.0 91:361.0 93:122.0 100:74.0 101:78.0 105:13689.0 106:1307.0 107:1282.0 108:48.0 109:132.0 110:664.0 111:19.0 113:175.0 118:297.0 120:3526.0 121:255.0 122:31.0 123:5.0 124:44.0 130:1267.0 134:1971.0 135:186.0 136:84.0 137:138.0 140:164.0 143:283.0 144:14.0 146:236.0 151:431.0 152:157.0 153:77.0 154:24.0 155:143.0 164:6.0 167:4.0 170:21.0 173:13.0 179:24.0 184:501.0 186:37.0 199:285.0 203:30.0 207:37.0 208:47.0 212:19.0 213:2.0 217:31.0 219:40.0 220:41.0 224:34.0 226:15.0 240:10.0 244:350.0 245:20.0 246:8.0 248:34.0 252:4.0 256:1.0 262:78.0 263:23.0 266:4.0 268:22.0 269:9.0 272:8.0 274:24.0 277:1.0 281:16.0 282:27.0 292:19.0 299:19.0 300:28.0 303:19.0 307:10.0 308:9.0 310:12.0 314:15.0 317:1.0 322:4.0 338:5.0 340:49.0 347:15.0 354:13.0 370:14.0 374:1.0 379:22.0 381:17.0 388:20.0 392:9.0 394:2.0 400:29.0 408:21.0 409:1.0 412:9.0 418:5.0 422:10.0 424:6.0 428:2.0 431:8.0 433:5.0 437:52.0 443:6.0 450:7.0 451:1.0 465:28.0 473:19.0 487:1.0 497:23.0 C07113 7410 170 143 259 262 224 361 334 246 125 285 159 1575 1032 1240 832 879 1176 1442 1251 728 1034 494 756 1160 831 1228 599 818 500 828 640 793 775 569 441 453 305 195 277 573 1016 647 1032 465 301 1018 871 639 1150 640 610 977 1010 672 656 657 655 555 548 766 659 764 531 265 265 257 265 334 280 141 172 422 409 552 501 503 639 560 238 352 614 656 466 465 742 545 768 316 1118 780 631 494 528 459 89 87705 acetoacetate 252451 85:138.0 86:160.0 87:60.0 88:291.0 89:12156.0 90:841.0 91:496.0 98:319.0 99:106.0 100:54.0 101:367.0 102:292.0 103:133.0 107:42.0 112:1154.0 113:658.0 114:1013.0 115:119.0 116:377.0 117:950.0 118:58.0 119:24.0 128:24.0 130:80.0 132:54.0 136:59.0 144:171.0 156:836.0 157:64.0 158:15.0 172:521.0 173:75.0 176:24.0 188:137.0 189:15.0 190:13.0 203:546.0 204:135.0 205:31.0 213:15.0 230:16.0 236:15.0 245:17.0 313:21.0 335:16.0 338:12.0 344:17.0 345:23.0 353:20.0 361:18.0 362:26.0 363:21.0 369:13.0 372:34.0 375:27.0 378:11.0 379:26.0 380:17.0 382:13.0 386:17.0 396:30.0 401:16.0 402:19.0 407:38.0 413:33.0 416:22.0 417:12.0 421:17.0 424:22.0 427:23.0 438:28.0 449:13.0 460:18.0 470:20.0 471:19.0 472:19.0 474:27.0 483:27.0 489:30.0 492:13.0 493:32.0 500:27.0 C00164 96 2473 1226 2789 1296 1435 1249 1171 1477 2285 1704 1766 616 1047 855 408 677 840 595 1077 884 1139 260 323 912 468 926 536 715 956 567 429 774 571 267 310 424 1076 1264 1304 746 712 606 502 533 2330 780 617 1156 1120 729 550 729 733 604 612 815 759 1072 807 1350 779 1002 635 1145 1545 1192 1473 2040 1358 2995 3285 507 734 769 648 760 892 427 1312 935 856 836 202 671 517 719 1276 992 1358 685 625 670 796 616 174 1676 5-aminovaleric acid 540425 85:369.0 86:10350.0 87:1290.0 88:826.0 89:171.0 90:349.0 91:794.0 92:175.0 93:16.0 94:755.0 98:386.0 99:226.0 100:8033.0 101:1381.0 102:1524.0 103:1205.0 104:425.0 105:143.0 106:393.0 107:239.0 108:12.0 111:7.0 112:401.0 113:1004.0 114:819.0 115:408.0 116:220.0 117:634.0 118:164.0 119:364.0 120:371.0 121:525.0 122:101.0 124:97.0 125:53.0 126:1504.0 127:324.0 128:185.0 129:1067.0 130:2254.0 131:1739.0 132:1198.0 133:473.0 134:1095.0 136:216.0 137:36.0 138:164.0 139:115.0 140:52.0 141:332.0 142:663.0 143:177.0 144:252.0 145:67.0 146:1133.0 147:3651.0 148:452.0 149:144.0 151:21.0 152:282.0 153:7.0 154:17.0 156:636.0 157:14.0 158:1131.0 159:266.0 160:293.0 162:89.0 163:55.0 164:1039.0 169:232.0 171:42.0 172:541.0 174:27892.0 175:4933.0 176:2461.0 177:370.0 178:120.0 180:323.0 181:81.0 182:13.0 184:15.0 186:66.0 187:108.0 188:43.0 189:608.0 190:204.0 191:296.0 192:2758.0 193:173.0 194:54.0 197:17.0 199:12.0 200:143.0 201:11.0 202:101.0 204:1401.0 208:36.0 209:1.0 210:6.0 215:108.0 216:13.0 218:3671.0 219:260.0 220:83.0 221:92.0 225:63.0 229:122.0 230:39.0 231:21.0 237:113.0 238:14.0 241:3.0 246:2.0 253:1.0 257:82.0 258:14.0 265:38.0 266:150.0 267:46.0 268:18.0 271:6.0 273:44.0 281:2.0 291:93.0 294:17.0 295:1.0 327:269.0 328:112.0 333:24.0 334:72.0 350:4.0 364:2.0 431:35.0 474:10.0 480:47.0 C00431 138 380 335 302 304 470 294 279 379 261 329 327 297 274 350 251 315 254 362 319 382 402 252 279 340 295 387 243 358 315 288 282 330 291 311 279 246 291 378 351 446 392 298 282 240 333 216 238 181 292 197 313 315 335 238 320 320 295 303 267 296 234 261 228 353 302 312 311 327 400 324 407 253 313 328 315 332 222 220 235 321 271 377 234 375 260 271 377 293 308 368 294 332 289 259 191 46 3-hydroxybutyric acid 278829 85:450.0 87:771.0 88:5166.0 89:671.0 90:145.0 94:224.0 95:75.0 97:109.0 98:70.0 99:1234.0 101:2196.0 102:582.0 103:2032.0 105:352.0 109:157.0 113:55.0 115:2782.0 116:646.0 117:17448.0 118:1693.0 119:885.0 129:133.0 130:3251.0 131:2461.0 132:429.0 133:4316.0 134:935.0 135:236.0 136:26.0 139:19.0 141:18.0 142:263.0 143:1572.0 144:186.0 145:164.0 147:38986.0 148:6470.0 149:3551.0 150:327.0 151:91.0 157:79.0 158:121.0 159:51.0 161:46.0 162:28.0 163:78.0 167:15.0 173:27.0 175:66.0 176:15.0 177:926.0 178:175.0 179:84.0 182:29.0 185:19.0 189:691.0 190:166.0 191:7197.0 192:1064.0 193:399.0 194:65.0 195:26.0 196:20.0 197:18.0 198:17.0 199:42.0 203:31.0 204:421.0 205:179.0 206:57.0 209:49.0 210:17.0 213:20.0 214:14.0 216:36.0 217:168.0 218:245.0 219:77.0 220:52.0 221:26.0 224:24.0 225:13.0 228:17.0 231:54.0 233:2391.0 234:505.0 235:151.0 236:32.0 244:14.0 247:40.0 248:25.0 249:28.0 258:17.0 276:15.0 278:17.0 282:36.0 283:16.0 285:22.0 287:22.0 290:24.0 291:26.0 295:19.0 296:19.0 298:19.0 307:17.0 309:21.0 315:12.0 316:16.0 317:16.0 330:30.0 335:20.0 345:16.0 348:20.0 368:13.0 370:20.0 376:20.0 378:16.0 381:13.0 395:16.0 398:16.0 402:13.0 405:29.0 408:22.0 411:18.0 428:16.0 433:13.0 436:37.0 437:16.0 438:32.0 439:13.0 440:13.0 442:12.0 445:14.0 448:14.0 449:13.0 452:24.0 453:16.0 454:13.0 455:23.0 456:21.0 457:18.0 458:22.0 459:27.0 461:17.0 466:19.0 467:23.0 469:31.0 478:22.0 481:21.0 483:31.0 484:16.0 490:23.0 491:25.0 492:31.0 494:25.0 496:21.0 498:13.0 500:22.0 C01089 92135 15955 6839 16516 11811 7703 18840 7644 13358 15890 5305 10212 7837 7802 7061 10023 10209 9455 11141 9987 13310 22282 21008 10539 12956 12009 10454 8666 5412 12291 10339 8778 6527 31202 7419 7748 12640 10306 15509 16359 6244 10042 6481 5718 4682 9425 5821 9809 11908 11712 14456 22226 7073 6766 7558 6060 10158 6633 7175 6645 13880 6893 6954 4356 12198 6892 6614 11478 11162 7668 23067 13631 13064 6560 8623 5635 6784 13721 7205 10951 11639 14614 3764 6110 20387 6082 6136 9967 13674 7996 9699 10839 8568 7229 7660 247 32000 3-hydroxy-3-methylglutaric acid 521554 85:626.0 88:16.0 99:275.0 100:730.0 101:73.0 102:61.0 103:177.0 105:4.0 109:1920.0 110:105.0 111:74.0 112:83.0 113:58.0 114:82.0 115:2396.0 116:497.0 117:648.0 119:126.0 122:1.0 128:36.0 129:150.0 131:335.0 133:955.0 134:20.0 135:5.0 140:38.0 141:84.0 142:47.0 144:16.0 147:3623.0 148:545.0 149:525.0 150:59.0 151:23.0 157:174.0 159:95.0 163:168.0 164:7.0 170:7.0 171:247.0 172:45.0 183:513.0 184:30.0 188:42.0 189:270.0 190:5.0 191:84.0 198:37.0 199:1241.0 200:148.0 201:103.0 203:410.0 204:193.0 205:99.0 215:59.0 216:5.0 217:15.0 224:8.0 226:10.0 229:24.0 231:992.0 232:174.0 233:35.0 241:16.0 244:29.0 246:14.0 247:1252.0 248:237.0 249:61.0 257:5.0 273:715.0 274:125.0 275:59.0 292:6.0 307:46.0 329:74.0 330:39.0 344:1.0 363:250.0 364:109.0 399:2.0 467:1.0 C03761 1662 271 190 341 101 111 193 107 163 179 240 155 193 192 250 206 205 175 245 256 122 194 182 114 238 166 243 143 156 194 117 176 163 113 204 199 154 173 163 191 304 122 111 188 211 194 129 224 149 115 136 94 117 91 225 240 148 127 150 219 216 224 148 121 242 189 153 194 129 261 242 155 127 74 170 101 89 222 101 137 168 137 80 94 228 151 108 129 144 100 146 72 198 144 111 231 16782 3,6-anhydro-D-glucose 587617 85:2651.0 86:1379.0 87:3019.0 88:1300.0 89:25434.0 90:2285.0 91:1263.0 92:115.0 93:1209.0 94:1132.0 95:14971.0 96:2959.0 97:1423.0 98:4240.0 99:2750.0 100:4219.0 101:13829.0 102:3622.0 103:44711.0 104:3976.0 105:12724.0 106:1217.0 107:496.0 108:481.0 109:489.0 110:986.0 111:2472.0 112:1444.0 113:1770.0 114:861.0 115:3085.0 116:3634.0 117:19400.0 118:2401.0 119:3534.0 120:636.0 121:1755.0 122:419.0 123:1026.0 124:632.0 125:942.0 126:4905.0 127:2074.0 128:772.0 129:8410.0 130:2343.0 131:8266.0 132:1452.0 133:27985.0 134:3395.0 135:2012.0 136:259.0 137:632.0 138:244.0 139:1111.0 140:703.0 141:981.0 142:49547.0 143:11199.0 144:3178.0 145:1077.0 146:771.0 147:54305.0 148:7928.0 149:5931.0 150:452.0 151:575.0 152:518.0 153:1390.0 154:911.0 155:551.0 156:867.0 157:2625.0 158:862.0 159:654.0 160:132.0 161:359.0 163:2683.0 164:408.0 165:380.0 166:363.0 167:3730.0 168:1362.0 169:3253.0 170:1572.0 171:1084.0 172:879.0 173:646.0 174:599.0 175:1041.0 176:217.0 177:246.0 178:20.0 179:275.0 180:223.0 181:598.0 182:331.0 183:473.0 184:279.0 185:757.0 186:193.0 187:226.0 188:46.0 189:2511.0 190:718.0 191:3181.0 192:667.0 193:2697.0 194:630.0 195:687.0 196:265.0 197:907.0 198:1286.0 199:4191.0 200:1611.0 201:3973.0 202:571.0 203:850.0 204:2091.0 205:7239.0 206:1334.0 207:851.0 208:107.0 209:123.0 210:364.0 211:539.0 212:1314.0 213:661.0 214:340.0 215:724.0 216:339.0 217:13699.0 218:2906.0 219:1369.0 220:262.0 221:1039.0 222:133.0 223:159.0 225:1041.0 226:511.0 227:369.0 228:148.0 229:235.0 230:541.0 231:85501.0 232:13973.0 233:4414.0 234:477.0 235:92.0 239:84.0 240:42.0 241:1376.0 242:564.0 243:2034.0 244:422.0 245:772.0 246:100.0 247:21.0 248:55.0 254:16.0 255:85.0 256:171.0 257:1595.0 258:277.0 259:274.0 260:33.0 261:33.0 263:19.0 264:12.0 265:86.0 266:158.0 267:86.0 268:5.0 269:140.0 270:21.0 271:294.0 272:100.0 273:675.0 274:104.0 275:55.0 277:719.0 278:193.0 279:43.0 282:1.0 283:41.0 284:166.0 285:296.0 286:191.0 287:184.0 288:8.0 289:23.0 290:28.0 291:237.0 292:4260.0 293:969.0 294:480.0 295:234.0 298:12.0 300:138.0 301:100.0 302:64.0 303:79.0 304:7.0 305:469.0 306:244.0 307:2810.0 308:716.0 309:345.0 310:163.0 314:13.0 315:2601.0 316:745.0 317:356.0 318:45.0 319:583.0 320:169.0 321:51.0 322:15.0 323:13.0 325:11.0 331:725.0 332:265.0 333:4115.0 334:1154.0 335:507.0 336:72.0 346:181.0 347:157.0 348:7.0 352:9.0 362:2.0 373:20.0 374:50.0 375:12.0 377:1.0 393:245.0 394:108.0 404:110.0 405:1050.0 406:479.0 407:158.0 408:44.0 421:569.0 422:191.0 423:69.0 424:14.0 427:5.0 466:16.0 475:2.0 478:2.0 C06478 16069993 128 99 117 193 95 106 93 82 102 164 108 448 311 481 418 294 328 320 464 336 413 514 677 260 364 458 452 435 215 461 436 483 625 274 535 241 80 141 112 558 597 474 435 342 149 227 345 108 232 180 131 170 233 252 261 212 147 271 185 157 241 191 149 174 124 82 108 101 88 76 88 226 249 194 249 328 212 144 59 200 207 230 226 306 206 268 229 216 92 145 154 273 180 266 231 88056 3,6-anhydro-D-galactose 590619 85:489.0 86:144.0 87:452.0 88:20.0 89:893.0 90:63.0 91:106.0 94:6.0 95:466.0 98:243.0 99:115.0 100:106.0 103:628.0 104:22.0 105:252.0 106:29.0 107:10.0 108:151.0 109:3.0 110:83.0 111:29.0 113:43.0 114:42.0 115:39.0 117:642.0 121:23.0 122:5.0 125:69.0 126:303.0 127:199.0 128:83.0 129:256.0 131:58.0 132:83.0 133:827.0 134:124.0 135:159.0 136:24.0 138:17.0 139:36.0 141:7.0 142:1537.0 143:378.0 145:27.0 146:6.0 147:836.0 148:53.0 149:205.0 150:19.0 151:134.0 157:10.0 158:33.0 159:17.0 161:3.0 163:103.0 165:25.0 167:99.0 168:104.0 170:61.0 172:19.0 175:32.0 176:3.0 177:82.0 179:427.0 180:90.0 182:54.0 186:1.0 189:3.0 191:121.0 192:9.0 193:484.0 194:84.0 196:15.0 198:9.0 199:200.0 201:53.0 202:2.0 204:34.0 205:244.0 206:100.0 207:1421.0 208:293.0 209:73.0 210:2.0 211:103.0 213:51.0 215:1.0 217:5.0 218:38.0 220:31.0 221:581.0 222:69.0 223:4.0 224:6.0 227:28.0 228:9.0 229:2.0 231:2634.0 232:410.0 233:174.0 237:1.0 239:28.0 241:18.0 242:13.0 243:87.0 245:15.0 246:2.0 249:3.0 250:6.0 253:22.0 255:2.0 256:41.0 257:38.0 258:6.0 263:166.0 264:30.0 267:4.0 272:3.0 273:16.0 278:4.0 284:12.0 287:6.0 294:32.0 296:1.0 297:2.0 298:5.0 299:4.0 300:34.0 301:28.0 302:7.0 304:24.0 306:2.0 307:18.0 308:3.0 309:3.0 310:3.0 314:33.0 315:202.0 316:19.0 318:1.0 320:2.0 327:39.0 328:40.0 330:9.0 331:4.0 335:1.0 339:4.0 341:23.0 342:22.0 343:1.0 344:2.0 345:6.0 346:6.0 347:3.0 348:2.0 352:6.0 353:4.0 355:19.0 358:48.0 359:6.0 361:15.0 366:9.0 367:1.0 370:56.0 371:14.0 373:8.0 375:10.0 377:1.0 388:13.0 389:8.0 390:18.0 392:5.0 398:1.0 405:14.0 437:1.0 439:1.0 444:13.0 445:22.0 446:26.0 447:5.0 486:17.0 C06474 16069996 140 89 140 278 92 130 147 109 96 196 108 448 311 481 512 362 370 320 464 420 413 550 776 317 364 458 559 537 323 388 351 565 520 481 535 307 87 141 116 660 597 424 486 276 149 227 345 108 232 180 131 170 233 252 192 212 147 271 185 157 241 191 149 123 124 170 138 101 75 82 88 226 249 194 249 328 212 227 89 200 207 230 226 306 206 268 229 216 92 145 195 273 180 266 89 208 2-ketoisocaproic acid 310761 85:129.0 86:213.0 88:136.0 89:5113.0 90:387.0 91:282.0 98:690.0 99:3574.0 100:584.0 101:86.0 103:142.0 104:34.0 105:37.0 110:2780.0 111:140.0 113:196.0 114:693.0 115:2338.0 116:377.0 117:158.0 118:61.0 119:177.0 123:21.0 126:192.0 128:49.0 134:174.0 135:32.0 140:183.0 143:201.0 150:40.0 151:21.0 153:18.0 154:48.0 156:80.0 157:32.0 158:269.0 159:57.0 162:23.0 167:25.0 172:42.0 173:31.0 174:195.0 176:65.0 182:80.0 183:64.0 185:19.0 187:8.0 189:1534.0 190:172.0 191:32.0 197:31.0 199:14.0 200:1899.0 201:202.0 202:58.0 204:20.0 213:13.0 216:1419.0 217:200.0 218:44.0 219:27.0 234:19.0 243:15.0 270:14.0 283:27.0 288:16.0 309:15.0 310:11.0 316:22.0 341:26.0 342:26.0 357:11.0 358:14.0 360:15.0 363:17.0 364:18.0 370:29.0 371:18.0 372:14.0 375:22.0 376:16.0 377:13.0 379:18.0 380:23.0 382:16.0 388:12.0 390:18.0 401:19.0 414:18.0 418:13.0 420:16.0 428:18.0 447:17.0 455:15.0 457:27.0 464:31.0 478:15.0 492:20.0 496:42.0 C00233 70 1128 821 1548 1104 1607 1333 1317 1114 1236 1247 822 1271 1651 1200 2186 907 1268 1264 1329 1136 1616 1727 1626 1300 1740 944 1812 1554 1314 1501 1202 1797 1231 907 1653 1124 1224 1174 948 1672 1719 1441 1031 1400 1283 952 1078 1189 880 413 906 1160 1513 1171 876 1538 1238 1263 808 984 980 1027 1175 908 895 535 995 541 944 806 1155 1005 1340 1667 1069 1104 1068 903 874 917 1088 1293 867 1187 1039 1294 1676 1178 1095 1440 832 1322 1056 1505 234 3279 2-ketoglucose dimethylacetal NIST 456913 85:550.0 86:57.0 87:134.0 89:1458.0 90:27.0 97:161.0 98:75.0 99:166.0 100:599.0 101:360.0 102:937.0 103:2462.0 104:149.0 105:269.0 106:140.0 107:190.0 108:35.0 110:11.0 113:11.0 114:118.0 115:338.0 116:78.0 117:3820.0 118:403.0 119:95.0 125:10.0 126:250.0 129:382.0 130:1764.0 131:993.0 132:113.0 133:1460.0 134:349.0 135:11.0 143:370.0 144:48.0 145:234.0 146:278.0 147:7353.0 148:1141.0 149:868.0 151:19.0 156:28.0 157:23.0 159:250.0 160:5.0 161:203.0 162:529.0 163:446.0 164:13.0 173:74.0 174:84.0 175:68.0 184:108.0 185:131.0 187:522.0 188:40.0 189:200.0 190:58.0 199:26.0 200:38.0 203:75.0 204:113.0 205:1256.0 206:217.0 207:62.0 214:18.0 216:14.0 217:655.0 218:111.0 219:87.0 221:11.0 231:44.0 232:675.0 233:216.0 234:2121.0 235:483.0 236:114.0 237:28.0 242:22.0 244:18.0 245:93.0 246:19.0 247:381.0 248:21.0 259:56.0 260:21.0 261:238.0 262:67.0 263:60.0 269:44.0 294:3.0 304:4.0 322:26.0 332:2.0 334:51.0 335:17.0 351:52.0 371:21.0 375:23.0 376:15.0 396:10.0 417:19.0 425:9.0 437:5.0 439:5.0 447:17.0 453:11.0 474:1.0 476:4.0 477:14.0 481:10.0 0 159630 419 199 370 488 277 292 766 443 225 208 244 216 80 127 211 148 242 108 268 78 231 93 116 99 152 159 168 88 109 126 96 148 94 101 84 95 211 340 320 228 110 92 94 121 213 93 105 74 68 110 71 70 215 105 102 168 78 183 104 43 225 123 90 337 185 226 346 210 360 135 156 70 85 62 89 123 78 101 177 68 121 103 236 79 122 76 106 111 58 91 97 129 110 70 131 25922 2-hydroxyvaleric acid 309587 85:783.0 86:12.0 89:96.0 95:343.0 99:185.0 101:10.0 110:16.0 113:33.0 115:380.0 116:57.0 117:78.0 127:85.0 130:28.0 131:2537.0 132:259.0 133:199.0 147:2527.0 148:299.0 149:168.0 189:23.0 200:55.0 204:42.0 205:87.0 247:159.0 0 98009 11123 9772 8632 7353 8719 8609 7569 12337 8455 5008 6898 7863 9635 7881 13515 6876 9967 14405 10759 8144 10466 9411 7039 11671 11816 6504 9224 6784 6005 9153 7332 5358 10079 6651 420 10651 6651 9382 9184 7878 8486 7898 7894 5530 7694 5637 11376 8954 5762 8707 4917 7962 8201 6828 8638 5370 5717 10727 8229 11831 7437 8671 5376 6004 4220 4641 5676 3947 6441 9041 9529 7204 8630 6788 5664 7791 7038 7931 8577 5993 5477 6909 5558 4623 6990 7529 6070 13452 8346 7571 6479 11116 5152 13276 247 2000 2-hydroxyglutaric acid 506306 85:987.0 86:115.0 99:30.0 101:119.0 103:121.0 105:91.0 115:9.0 116:84.0 117:39.0 129:3826.0 130:487.0 131:370.0 132:6.0 133:412.0 134:38.0 146:11.0 147:1685.0 148:252.0 149:537.0 150:24.0 157:1113.0 158:97.0 159:129.0 163:13.0 172:4.0 184:12.0 203:612.0 204:140.0 217:9.0 218:20.0 231:219.0 247:1048.0 248:174.0 249:17.0 349:124.0 350:3.0 354:11.0 477:11.0 479:1.0 C02630 43 243 174 286 149 229 204 263 125 137 189 177 329 288 228 367 257 261 298 362 273 248 228 281 242 235 319 228 128 189 261 445 95 323 239 168 398 194 292 114 345 329 150 226 197 166 546 218 311 244 155 200 125 196 310 261 254 226 99 305 461 183 164 351 176 173 209 298 170 78 161 217 397 166 250 106 408 83 17 227 260 252 248 522 259 235 112 232 244 311 151 198 352 321 296 131 40 2-hydroxybutanoic acid 258161 86:245.0 87:1207.0 89:112.0 95:545.0 97:102.0 99:553.0 101:976.0 103:517.0 104:78.0 112:23.0 113:68.0 114:20.0 115:1186.0 116:223.0 117:711.0 125:24.0 129:273.0 131:25648.0 132:2895.0 133:3706.0 134:1175.0 137:61.0 138:29.0 139:26.0 143:727.0 144:93.0 145:26.0 147:22332.0 148:3774.0 149:2177.0 150:118.0 151:24.0 169:35.0 175:94.0 184:455.0 189:64.0 190:978.0 191:270.0 192:77.0 195:16.0 205:1662.0 206:222.0 207:96.0 219:95.0 224:24.0 233:523.0 278:50.0 292:17.0 310:24.0 356:14.0 364:21.0 448:28.0 452:19.0 484:38.0 C05984 440864 50464 45433 42112 37725 24698 162740 22540 35015 45115 27459 20479 38566 50696 36354 45579 41043 43947 58312 40843 59254 72569 78348 46871 61797 77007 41093 38773 23774 38474 48369 30730 30287 79657 35345 36719 113372 23143 21988 66458 42295 60190 39152 41712 32650 30462 25542 72565 67860 53043 44072 68139 44777 32234 47008 31707 51186 60342 35511 33349 50620 42085 47543 18817 19383 22717 34037 44987 25482 22648 55787 59153 40316 35669 46482 18736 65633 56362 52789 22347 63638 45091 36144 29742 46965 36271 32363 31222 54928 47970 36154 39463 45922 35548 39390 189 1208 2-deoxytetronic acid 433456 85:3678.0 86:419.0 87:1070.0 88:693.0 89:3868.0 90:231.0 91:269.0 92:61.0 94:196.0 96:136.0 97:220.0 98:279.0 99:1268.0 100:276.0 101:10175.0 102:1066.0 103:3549.0 104:443.0 105:707.0 106:118.0 107:102.0 108:142.0 109:54.0 111:177.0 112:57.0 113:377.0 114:530.0 115:1621.0 116:869.0 117:12125.0 118:1194.0 119:1640.0 120:183.0 121:154.0 123:18.0 127:243.0 129:6961.0 130:984.0 131:3106.0 132:474.0 133:12670.0 134:1801.0 135:1157.0 136:137.0 137:93.0 138:25.0 141:85.0 142:111.0 143:632.0 144:92.0 145:198.0 146:88.0 147:26724.0 148:4413.0 149:4711.0 150:499.0 151:282.0 152:21.0 153:37.0 156:130.0 157:3499.0 158:428.0 159:332.0 160:142.0 161:180.0 162:115.0 163:316.0 164:68.0 169:32.0 173:248.0 174:114.0 175:250.0 176:104.0 177:90.0 179:38.0 185:48.0 186:62.0 189:12001.0 190:2127.0 191:4718.0 192:673.0 193:383.0 195:45.0 198:32.0 199:21.0 202:2528.0 203:3369.0 204:1149.0 205:1027.0 206:236.0 207:167.0 208:53.0 209:49.0 212:48.0 213:36.0 214:39.0 215:57.0 216:45.0 217:978.0 218:344.0 219:126.0 220:41.0 221:357.0 222:146.0 223:54.0 227:26.0 230:15.0 231:4122.0 232:885.0 233:7111.0 234:1161.0 235:545.0 236:107.0 237:55.0 242:23.0 243:18.0 244:25.0 246:1622.0 247:355.0 248:162.0 249:33.0 254:30.0 255:31.0 258:23.0 260:47.0 261:47.0 262:34.0 264:31.0 265:38.0 267:29.0 268:23.0 273:20.0 274:20.0 275:31.0 278:38.0 279:35.0 282:38.0 288:23.0 289:19.0 294:18.0 296:19.0 297:28.0 299:14.0 318:19.0 320:45.0 321:1001.0 322:318.0 323:154.0 324:28.0 325:24.0 326:19.0 333:19.0 335:25.0 336:31.0 339:21.0 344:29.0 345:35.0 347:32.0 349:15.0 352:24.0 358:27.0 366:20.0 367:21.0 368:35.0 372:35.0 384:18.0 386:38.0 392:21.0 396:24.0 397:24.0 402:41.0 403:22.0 415:42.0 417:14.0 420:42.0 429:22.0 431:25.0 443:14.0 448:23.0 449:18.0 451:13.0 457:20.0 458:14.0 466:23.0 468:19.0 469:18.0 474:31.0 477:25.0 478:31.0 480:21.0 487:17.0 491:18.0 492:27.0 498:54.0 500:22.0 0 150929 9700 6198 6309 4937 4205 4269 6289 6909 5381 3048 3515 3950 3614 3017 5661 2857 5293 4817 4206 5600 3912 5966 6599 6677 5748 3148 5231 2983 3908 5976 4141 3189 6696 3454 5086 8677 3707 7012 5800 4275 4236 4599 3560 4317 2432 3742 5120 4889 4239 3702 4667 4307 2230 3800 3594 3527 3318 3983 3191 3618 3027 3854 2585 6260 3292 2874 4383 3463 4433 9649 4503 5818 4650 3969 3492 5762 7991 4520 4805 3947 2894 4623 2905 3710 3701 3831 3397 5724 4285 2843 4893 4229 2881 4220 117 34100 2-deoxyerythritol 354388 85:23.0 87:267.0 88:102.0 90:44.0 92:50.0 94:2.0 95:128.0 96:46.0 97:56.0 98:29.0 99:824.0 101:852.0 102:113.0 103:2298.0 104:36.0 105:287.0 107:3149.0 109:28.0 110:1239.0 111:502.0 112:5.0 113:172.0 114:200.0 115:31.0 116:4912.0 117:13201.0 118:1597.0 119:723.0 120:94.0 126:363.0 127:363.0 128:27.0 129:1313.0 130:120.0 131:815.0 133:1914.0 134:97.0 135:459.0 136:133.0 138:4.0 139:10.0 142:71.0 143:566.0 144:335.0 145:45.0 146:176.0 147:1534.0 149:202.0 150:11.0 151:2.0 152:3.0 153:6.0 154:5.0 155:177.0 157:29.0 158:9.0 159:76.0 160:4.0 161:2.0 162:6.0 163:119.0 164:3.0 166:5.0 167:5.0 169:23.0 170:1.0 172:448.0 173:90.0 175:33.0 176:8.0 177:259.0 178:27.0 179:4.0 181:69.0 183:1.0 184:493.0 185:14.0 188:66.0 191:244.0 192:14.0 194:1.0 195:2.0 198:1.0 199:3.0 201:19.0 204:504.0 205:2129.0 206:418.0 207:205.0 208:23.0 210:1.0 211:45.0 215:1.0 217:661.0 218:86.0 219:836.0 220:92.0 221:14.0 225:59.0 228:1.0 231:14.0 232:105.0 233:26.0 235:4.0 244:2.0 261:5.0 262:1.0 269:6.0 276:2.0 281:36.0 283:64.0 299:1978.0 300:400.0 301:212.0 302:4.0 303:8.0 314:204.0 315:39.0 318:11.0 338:4.0 357:19.0 400:2.0 407:13.0 420:10.0 421:21.0 441:11.0 449:10.0 460:9.0 467:12.0 487:23.0 495:4.0 499:1.0 0 18302 2892 2836 2621 3709 2464 3431 3608 2816 2114 899 1299 1912 2044 750 3177 893 1504 1655 1615 968 1156 1823 6283 2001 805 430 1063 1505 967 2846 606 1663 1424 1281 1203 8230 2256 3794 7194 1357 1701 1881 786 1153 1302 2188 1859 1292 920 1138 1438 1405 1181 1361 1444 895 995 1798 1430 8004 1250 2304 2005 3881 1268 1737 7207 1084 1615 13072 1338 4344 1609 1200 1704 3200 1506 1603 1944 1776 1006 2378 13519 1128 1032 1600 1285 1795 1806 1814 1832 2409 6065 3318 240 18043 2,3-dihydroxypyridine 373895 85:878.0 86:625.0 90:271.0 91:40.0 92:699.0 93:155.0 94:249.0 95:650.0 96:2824.0 97:595.0 99:92.0 100:42.0 101:42.0 103:851.0 104:49.0 105:58.0 106:240.0 107:2265.0 108:263.0 109:105.0 110:823.0 111:436.0 112:693.0 113:75.0 114:20.0 116:252.0 117:7136.0 118:844.0 123:2.0 124:319.0 127:188.0 129:1914.0 130:1862.0 131:2619.0 132:1552.0 133:225.0 134:4559.0 135:306.0 137:19.0 138:65.0 139:8.0 140:447.0 141:4.0 142:1398.0 145:1515.0 147:594.0 150:704.0 151:100.0 152:500.0 153:91.0 154:539.0 155:124.0 157:89.0 166:874.0 167:185.0 168:393.0 169:153.0 170:26.0 171:1.0 173:270.0 180:24.0 182:251.0 184:504.0 185:122.0 186:44.0 189:82.0 191:5362.0 192:853.0 193:440.0 199:3077.0 200:648.0 201:229.0 202:2.0 208:6.0 213:2.0 214:4.0 224:49.0 228:278.0 229:13.0 231:191.0 232:17.0 234:34.0 236:34.0 238:133.0 240:5128.0 241:1115.0 242:375.0 244:101.0 245:15.0 251:296.0 252:24.0 254:60.0 255:356.0 256:52.0 258:1.0 259:319.0 260:20.0 266:106.0 271:38.0 272:94.0 273:40.0 274:269.0 275:8.0 276:56.0 280:1.0 288:9.0 290:5.0 300:35.0 301:12.0 304:12.0 307:2.0 314:48.0 315:11.0 316:6.0 317:22.0 324:3.0 325:37.0 326:6.0 328:10.0 331:15.0 333:12.0 334:6.0 335:15.0 339:24.0 342:12.0 350:22.0 353:5.0 356:3.0 363:20.0 364:17.0 366:3.0 370:1.0 371:37.0 372:20.0 377:31.0 379:8.0 385:8.0 391:4.0 392:9.0 393:20.0 396:1.0 399:2.0 400:10.0 404:9.0 405:16.0 406:7.0 408:4.0 414:29.0 417:15.0 421:46.0 425:6.0 432:2.0 436:2.0 438:5.0 439:5.0 449:15.0 451:1.0 458:9.0 459:2.0 463:2.0 464:2.0 466:18.0 469:13.0 473:17.0 474:14.0 475:6.0 476:10.0 479:32.0 482:9.0 483:3.0 487:15.0 494:5.0 496:3.0 0 28115 125 109 122 284 156 1490 211 80 92 275 103 135 167 58 47 137 240 209 223 93 177 99 46 95 90 230 106 115 179 129 125 99 105 87 127 173 77 121 172 135 40 136 131 106 242 82 70 89 160 106 171 46 106 77 175 152 224 36 110 134 119 89 89 193 159 106 138 154 95 119 111 73 157 136 74 60 101 154 126 123 107 178 88 212 50 71 139 136 236 262 89 213 78 74 292 31743 2,3-dihydroxybutanoic acid NIST 384796 87:433.0 88:146.0 89:211.0 95:50.0 101:566.0 102:5460.0 103:1435.0 106:74.0 107:123.0 108:62.0 110:72.0 115:2014.0 116:220.0 117:16374.0 118:1491.0 119:1168.0 123:31.0 124:14.0 129:1092.0 130:2991.0 131:2301.0 132:1136.0 133:5833.0 136:86.0 137:44.0 139:22.0 143:92.0 147:7382.0 148:1170.0 149:1275.0 150:167.0 151:189.0 161:37.0 162:19.0 163:129.0 175:52.0 177:157.0 178:19.0 179:13.0 180:15.0 183:69.0 185:35.0 186:47.0 187:24.0 191:179.0 194:29.0 201:23.0 202:56.0 203:1254.0 204:756.0 205:341.0 207:107.0 213:38.0 215:32.0 216:22.0 217:51.0 218:37.0 219:149.0 220:1438.0 221:577.0 222:200.0 223:85.0 224:27.0 226:20.0 227:65.0 231:145.0 232:34.0 234:23.0 237:26.0 240:14.0 244:28.0 245:20.0 247:27.0 249:20.0 265:41.0 277:67.0 279:7.0 283:21.0 287:42.0 288:19.0 292:2186.0 293:773.0 294:361.0 295:113.0 296:22.0 297:16.0 306:24.0 318:18.0 320:31.0 321:122.0 323:31.0 325:19.0 333:15.0 337:25.0 357:36.0 359:15.0 363:19.0 364:24.0 375:15.0 384:14.0 388:20.0 397:15.0 399:14.0 409:17.0 413:24.0 418:28.0 437:17.0 444:17.0 487:13.0 493:21.0 495:23.0 497:15.0 0 250402 484 494 718 226 529 433 674 462 522 281 435 420 255 327 444 112 344 338 190 219 367 374 592 376 314 349 326 334 244 383 222 200 366 196 427 231 516 670 378 296 205 268 161 331 272 367 339 309 305 391 261 256 202 379 314 395 168 347 254 147 180 210 125 282 538 344 383 397 492 301 450 365 225 197 335 319 258 292 250 383 78 129 172 277 207 278 171 369 263 277 194 210 188 248 129 648 1-monostearin 959214 85:2387.0 86:245.0 88:342.0 89:880.0 90:108.0 91:126.0 93:404.0 94:183.0 95:2259.0 96:306.0 97:2167.0 98:609.0 99:768.0 100:91.0 101:4087.0 102:436.0 103:4290.0 104:462.0 105:416.0 106:95.0 107:246.0 108:39.0 109:1410.0 110:130.0 111:1003.0 112:196.0 113:337.0 114:74.0 115:511.0 116:2218.0 117:3517.0 118:444.0 119:328.0 120:48.0 121:179.0 122:22.0 123:677.0 124:97.0 125:278.0 128:153.0 129:4761.0 130:996.0 131:2479.0 132:1067.0 133:2217.0 134:366.0 135:390.0 137:389.0 138:44.0 140:36.0 141:62.0 142:48.0 143:132.0 144:21.0 145:1358.0 146:585.0 147:8437.0 148:1355.0 149:1287.0 150:106.0 151:213.0 152:31.0 153:62.0 154:67.0 155:39.0 157:46.0 159:222.0 161:118.0 163:186.0 165:78.0 168:39.0 170:44.0 171:40.0 173:78.0 174:83.0 175:475.0 176:82.0 179:44.0 181:37.0 183:27.0 184:60.0 185:84.0 187:437.0 188:383.0 189:106.0 190:63.0 191:77.0 198:18.0 201:383.0 202:70.0 203:2423.0 204:447.0 205:1247.0 206:248.0 207:102.0 211:31.0 213:17.0 215:20.0 216:30.0 217:68.0 218:316.0 219:178.0 220:47.0 228:30.0 230:40.0 234:40.0 237:73.0 241:25.0 243:54.0 251:42.0 257:130.0 258:51.0 259:24.0 260:21.0 267:771.0 268:141.0 275:27.0 297:20.0 328:21.0 333:33.0 334:17.0 341:170.0 351:31.0 355:19.0 358:15.0 370:24.0 380:18.0 398:147.0 399:2124.0 400:966.0 401:249.0 407:25.0 412:39.0 413:48.0 414:17.0 415:14.0 427:13.0 433:21.0 436:26.0 439:15.0 444:20.0 446:19.0 448:17.0 451:12.0 453:19.0 467:18.0 473:28.0 481:13.0 484:14.0 486:17.0 487:129.0 489:52.0 490:21.0 491:18.0 493:15.0 495:18.0 500:14.0 D01947 24699 448 424 385 368 620 554 598 268 292 462 346 257 345 206 344 263 212 428 8296 205 481 259 353 367 307 427 404 458 276 437 386 330 512 234 475 93 480 380 570 248 265 317 340 284 454 272 290 395 251 288 285 410 321 240 363 276 239 402 354 284 222 404 163 635 439 77 289 372 406 350 773 239 210 293 269 472 353 305 472 394 223 246 194 361 256 287 365 447 337 376 291 230 291 180 129 2070 1-monopalmitin 901749 85:11049.0 86:1066.0 87:1727.0 88:2503.0 89:4332.0 90:546.0 91:849.0 93:1712.0 94:656.0 95:11870.0 96:1156.0 97:8236.0 98:3082.0 99:3966.0 100:546.0 101:20046.0 102:2216.0 103:20674.0 104:2095.0 105:2096.0 106:183.0 107:1123.0 108:131.0 109:6523.0 110:712.0 111:3012.0 112:681.0 113:1739.0 114:217.0 115:2374.0 116:10634.0 117:15865.0 118:1742.0 119:1613.0 120:72.0 121:1202.0 122:204.0 123:3774.0 124:386.0 125:1683.0 126:303.0 127:616.0 128:109.0 129:21091.0 130:3960.0 131:10125.0 132:4681.0 133:12652.0 134:1737.0 135:1655.0 136:141.0 137:1775.0 138:262.0 139:720.0 140:149.0 141:273.0 142:131.0 143:661.0 144:135.0 145:6877.0 146:2613.0 147:38549.0 148:6200.0 149:5049.0 150:588.0 151:943.0 152:150.0 153:288.0 154:112.0 155:265.0 156:152.0 157:214.0 158:56.0 159:886.0 160:239.0 161:366.0 162:169.0 163:802.0 164:213.0 165:475.0 166:30.0 167:76.0 168:77.0 169:198.0 170:48.0 171:294.0 172:71.0 173:412.0 174:405.0 175:2465.0 176:394.0 177:348.0 178:135.0 179:168.0 180:110.0 181:96.0 182:35.0 183:128.0 184:53.0 185:206.0 186:105.0 187:3094.0 188:1500.0 189:796.0 190:136.0 191:423.0 192:125.0 193:134.0 194:78.0 195:107.0 199:163.0 200:58.0 201:1672.0 202:313.0 203:11522.0 204:2125.0 205:6323.0 206:1184.0 207:669.0 208:66.0 210:61.0 211:38.0 213:111.0 215:337.0 216:74.0 217:325.0 218:1342.0 219:659.0 220:209.0 221:490.0 222:146.0 224:36.0 227:21.0 229:172.0 230:57.0 236:37.0 237:282.0 238:135.0 239:6840.0 240:1347.0 241:281.0 242:70.0 243:535.0 244:93.0 245:73.0 246:37.0 247:61.0 249:37.0 255:63.0 256:31.0 257:520.0 258:103.0 260:50.0 261:40.0 262:30.0 263:121.0 264:53.0 268:53.0 269:79.0 270:45.0 271:154.0 272:105.0 273:77.0 274:44.0 275:143.0 276:87.0 278:109.0 279:29.0 283:56.0 284:49.0 285:228.0 286:109.0 287:103.0 289:37.0 290:68.0 291:106.0 292:86.0 293:64.0 295:68.0 296:45.0 297:28.0 299:134.0 300:56.0 301:71.0 302:55.0 303:60.0 304:68.0 305:86.0 307:64.0 308:72.0 310:42.0 311:218.0 312:88.0 313:861.0 314:289.0 315:160.0 316:94.0 319:64.0 321:46.0 327:97.0 328:90.0 330:38.0 331:84.0 333:52.0 334:44.0 336:56.0 337:67.0 338:52.0 341:141.0 342:144.0 346:38.0 348:28.0 352:30.0 354:61.0 355:94.0 360:50.0 361:49.0 363:69.0 368:31.0 369:57.0 370:548.0 371:12602.0 372:5969.0 373:1566.0 374:284.0 375:117.0 376:49.0 379:60.0 383:49.0 384:114.0 386:38.0 387:99.0 391:41.0 393:51.0 399:29.0 401:172.0 402:52.0 403:47.0 404:73.0 412:31.0 421:39.0 423:25.0 426:30.0 445:40.0 447:39.0 450:16.0 455:30.0 458:125.0 459:549.0 460:443.0 461:108.0 462:83.0 463:44.0 464:41.0 465:31.0 467:38.0 468:48.0 473:41.0 477:43.0 479:33.0 484:35.0 487:40.0 495:67.0 498:35.0 C01885 14900 112 339 286 321 263 174 435 82 236 405 276 319 278 486 139 293 250 143 6472 245 368 291 283 174 280 453 205 336 258 285 182 347 249 220 175 109 363 518 537 306 255 260 176 199 327 120 160 149 173 298 249 292 208 178 209 232 145 164 222 253 167 192 204 547 493 243 242 234 76 291 619 107 255 166 249 271 246 199 304 339 277 484 249 274 351 236 278 164 282 226 226 284 317 318 129 7508 1-monoolein 952623 85:574.0 86:56.0 87:709.0 88:73.0 89:747.0 90:78.0 91:856.0 92:154.0 93:1294.0 94:580.0 95:2736.0 96:562.0 97:1409.0 98:812.0 99:402.0 100:65.0 101:4011.0 102:484.0 103:7050.0 104:595.0 105:742.0 106:156.0 107:791.0 108:155.0 109:1114.0 110:270.0 111:672.0 112:115.0 113:214.0 114:24.0 115:456.0 116:1288.0 117:2529.0 118:273.0 119:379.0 120:122.0 121:917.0 122:237.0 123:624.0 124:165.0 125:190.0 127:105.0 128:15.0 129:10793.0 130:1722.0 131:2720.0 132:784.0 133:2163.0 134:261.0 135:824.0 136:158.0 137:284.0 138:34.0 139:78.0 140:2.0 141:18.0 142:156.0 143:199.0 144:19.0 145:681.0 146:562.0 147:7007.0 148:1077.0 149:1116.0 150:262.0 151:249.0 152:108.0 153:87.0 156:61.0 157:106.0 158:28.0 159:173.0 160:98.0 161:233.0 162:63.0 163:367.0 164:112.0 165:149.0 166:28.0 169:41.0 171:120.0 172:27.0 173:170.0 174:161.0 175:336.0 176:52.0 177:89.0 178:31.0 179:93.0 180:10.0 181:3.0 183:15.0 184:1.0 185:19.0 186:42.0 187:207.0 188:242.0 189:208.0 190:42.0 191:97.0 193:66.0 194:18.0 199:32.0 200:49.0 201:1328.0 202:207.0 203:2252.0 204:921.0 205:1105.0 206:237.0 207:206.0 208:60.0 209:24.0 213:17.0 215:234.0 216:23.0 217:264.0 218:232.0 219:379.0 220:133.0 221:116.0 223:11.0 227:21.0 228:8.0 229:36.0 230:42.0 235:14.0 237:158.0 241:8.0 242:13.0 243:91.0 244:100.0 245:48.0 246:64.0 247:33.0 248:26.0 249:17.0 250:9.0 252:6.0 255:71.0 257:448.0 258:120.0 259:27.0 261:4.0 262:146.0 263:59.0 264:57.0 265:373.0 266:56.0 267:57.0 271:48.0 272:13.0 273:18.0 283:20.0 285:25.0 286:22.0 287:33.0 288:24.0 289:3.0 292:3.0 293:3.0 297:8.0 298:4.0 299:13.0 300:38.0 303:2.0 305:138.0 306:15.0 307:95.0 308:54.0 310:25.0 311:27.0 313:60.0 314:82.0 315:24.0 319:59.0 320:9.0 321:5.0 322:1.0 325:7.0 328:34.0 329:4.0 335:7.0 337:26.0 339:103.0 340:22.0 341:95.0 345:5.0 346:2.0 347:30.0 355:51.0 357:1.0 359:20.0 363:9.0 366:12.0 368:18.0 373:3.0 375:2.0 382:24.0 384:7.0 387:9.0 395:186.0 396:101.0 397:795.0 398:323.0 399:91.0 400:13.0 401:7.0 403:5.0 408:108.0 409:66.0 410:106.0 411:37.0 429:8.0 443:2.0 455:1.0 461:16.0 464:6.0 472:2.0 475:54.0 478:4.0 479:1.0 483:40.0 484:35.0 485:87.0 486:52.0 487:55.0 489:6.0 0 5283468 7535 6278 5048 5863 7634 4940 4909 4056 4289 7280 4923 252 338 176 532 3376 2634 1491 266 114 131 242 269 210 161 256 220 206 141 239 263 218 3981 254 262 186 5798 6867 7426 336 299 4145 4580 2654 4048 4474 3135 161 173 3804 153 124 4515 201 3560 4096 176 4175 3982 4217 4060 3388 3784 7297 5582 6213 6441 5638 6075 4014 7604 163 136 175 4253 203 185 183 4648 221 182 4101 237 266 123 3988 119 197 230 4531 174 123 159 3603 299 16713 1-hexadecanol 679596 85:705.0 86:51.0 89:1086.0 90:140.0 91:307.0 97:1910.0 98:76.0 99:149.0 100:37.0 101:703.0 102:99.0 103:1810.0 104:22.0 106:25.0 110:37.0 111:800.0 112:61.0 113:101.0 114:49.0 115:16.0 117:120.0 125:182.0 127:25.0 129:351.0 130:47.0 142:3.0 143:136.0 144:18.0 145:15.0 157:186.0 184:83.0 187:40.0 189:14.0 201:2.0 204:93.0 205:304.0 206:39.0 209:9.0 217:431.0 218:22.0 219:17.0 227:8.0 229:22.0 231:43.0 248:24.0 259:128.0 273:4.0 282:33.0 292:386.0 293:48.0 298:40.0 299:1419.0 300:354.0 301:84.0 305:134.0 306:8.0 319:163.0 320:15.0 321:41.0 331:19.0 332:7.0 333:311.0 334:39.0 335:13.0 345:17.0 349:14.0 359:1.0 360:6.0 382:2.0 407:1.0 423:15.0 433:26.0 449:6.0 476:12.0 482:4.0 C00823 2682 956 532 717 177 389 590 435 590 473 407 365 439 412 331 438 384 517 542 482 305 606 266 284 358 346 631 324 323 296 523 371 314 153 281 181 413 726 390 592 553 434 353 559 328 234 187 302 168 189 304 214 221 300 281 137 306 297 355 256 345 366 245 211 599 374 527 232 361 404 209 437 287 299 273 325 214 233 286 630 249 201 279 250 268 288 295 276 285 278 437 173 360 265 173 117 17781 1-deoxyerythritol 357129 85:236.0 86:64.0 87:671.0 88:30.0 89:302.0 90:15.0 100:175.0 101:3971.0 102:319.0 103:7576.0 104:803.0 105:90.0 110:329.0 114:382.0 115:1520.0 116:16358.0 117:42947.0 118:4762.0 119:2153.0 120:13.0 127:335.0 129:3334.0 130:1054.0 131:3525.0 132:400.0 133:5494.0 135:111.0 140:549.0 142:164.0 143:2360.0 144:141.0 145:408.0 147:17853.0 148:3097.0 149:2517.0 150:147.0 151:82.0 153:1.0 156:243.0 158:116.0 159:36.0 160:104.0 161:197.0 163:327.0 175:179.0 177:1343.0 178:173.0 184:67.0 188:19.0 189:682.0 191:957.0 192:407.0 193:3.0 199:1.0 204:1573.0 205:6506.0 206:1323.0 207:82.0 217:2283.0 218:352.0 219:1660.0 220:239.0 221:1267.0 222:276.0 223:62.0 231:847.0 232:353.0 233:84.0 239:2.0 240:1.0 241:9.0 244:40.0 246:25.0 247:66.0 261:1.0 265:584.0 266:119.0 267:108.0 268:1.0 271:63.0 272:22.0 274:3.0 278:10.0 291:17.0 299:377.0 300:122.0 301:19.0 305:9.0 314:35.0 359:50.0 368:7.0 495:1.0 #N/A #N/A 3890 3161 3264 4123 2785 4027 3985 2816 1985 573 3196 2672 2044 750 4120 1150 2207 2038 1615 1253 1156 2492 6700 2376 1181 430 1288 1505 1231 3635 1266 1902 2214 1587 2263 3601 2754 4645 2012 1357 1995 1881 1057 1989 1898 2655 2868 1885 1130 1539 2173 1867 1639 1796 1681 1295 1325 2408 1430 1311 1559 2733 2600 4345 1268 2047 2239 1560 1615 3935 1890 1240 1831 1434 1917 3943 1965 1994 2158 1776 1236 2777 4411 1856 1569 1965 1593 2375 2274 2202 2355 3019 1554 4393 217 17 1,5-anhydroglucitol 633969 85:3830.0 86:670.0 87:3850.0 88:1333.0 89:11135.0 90:1039.0 91:868.0 93:226.0 94:498.0 95:560.0 96:248.0 97:3886.0 98:483.0 99:4523.0 100:383.0 101:27052.0 102:3840.0 103:44003.0 104:4289.0 105:3288.0 106:166.0 107:339.0 108:152.0 109:586.0 110:532.0 111:3639.0 112:380.0 113:5892.0 114:996.0 115:8674.0 116:15923.0 117:26062.0 118:3201.0 119:4964.0 120:514.0 121:428.0 122:73.0 123:80.0 124:59.0 125:266.0 126:138.0 127:3116.0 128:1342.0 129:44192.0 130:7004.0 131:16227.0 132:2580.0 133:31829.0 134:4616.0 135:2973.0 136:334.0 137:223.0 138:70.0 139:298.0 140:149.0 141:1384.0 142:1008.0 143:11204.0 144:1325.0 145:2278.0 146:503.0 147:103768.0 148:16824.0 149:17359.0 150:1700.0 151:1105.0 152:187.0 153:506.0 154:288.0 155:3976.0 156:731.0 157:11062.0 158:1125.0 159:2711.0 160:378.0 161:1000.0 162:293.0 163:4079.0 164:627.0 165:397.0 166:95.0 167:1276.0 168:217.0 169:5026.0 170:1008.0 171:1394.0 172:176.0 173:661.0 174:782.0 175:2090.0 176:321.0 177:2408.0 178:387.0 179:263.0 180:64.0 181:42.0 182:598.0 183:9155.0 184:1185.0 185:1183.0 186:205.0 187:501.0 188:112.0 189:8886.0 190:2284.0 191:33488.0 192:5772.0 193:2658.0 194:246.0 195:136.0 196:45.0 197:66.0 199:156.0 200:52.0 201:492.0 203:10335.0 204:12038.0 205:4707.0 206:1236.0 207:1049.0 208:205.0 209:154.0 210:59.0 213:74.0 214:135.0 215:2109.0 216:620.0 217:48114.0 218:25171.0 219:7780.0 220:1722.0 221:1964.0 222:226.0 223:82.0 225:34.0 227:59.0 228:59.0 229:1433.0 230:909.0 231:4333.0 232:978.0 233:799.0 234:168.0 235:94.0 237:31.0 240:21.0 241:113.0 242:357.0 243:1593.0 244:591.0 245:2623.0 246:948.0 247:488.0 248:113.0 249:63.0 252:25.0 255:277.0 256:141.0 257:5708.0 258:1399.0 259:8277.0 260:1640.0 261:693.0 262:107.0 263:61.0 265:151.0 270:24.0 271:313.0 272:1758.0 273:1684.0 274:626.0 275:333.0 277:110.0 278:58.0 279:23.0 289:36.0 291:389.0 293:80.0 296:13.0 298:17.0 305:869.0 306:603.0 307:493.0 308:162.0 309:52.0 317:176.0 318:117.0 319:969.0 320:351.0 321:206.0 322:53.0 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793 645 853 923 632 770 119 101035 101035 238200 86:135.0 89:289.0 92:31.0 97:619.0 98:322.0 99:158.0 100:545.0 101:769.0 103:13301.0 104:1217.0 105:858.0 107:50.0 111:77.0 112:29.0 113:514.0 114:149.0 117:574.0 119:5465.0 120:470.0 121:201.0 122:62.0 127:45.0 128:1029.0 129:1760.0 130:2661.0 131:241.0 132:187.0 137:11.0 142:183.0 143:141.0 146:3913.0 152:155.0 154:77.0 158:133.0 170:11.0 173:198.0 179:79.0 181:12.0 187:25.0 188:10.0 200:55.0 205:35.0 209:11.0 211:23.0 219:137.0 220:66.0 225:30.0 226:24.0 227:15.0 228:19.0 255:14.0 256:18.0 259:32.0 260:13.0 262:32.0 268:31.0 274:6.0 280:31.0 292:32.0 297:22.0 299:21.0 306:15.0 317:24.0 345:16.0 349:29.0 350:27.0 353:6.0 358:7.0 363:23.0 365:34.0 371:31.0 411:21.0 412:11.0 419:10.0 421:14.0 430:18.0 433:12.0 434:9.0 438:14.0 442:33.0 484:24.0 487:21.0 488:24.0 489:12.0 496:23.0 497:24.0 498:37.0 542 505 671 564 530 547 529 380 378 604 396 457 532 704 626 445 507 600 151 635 645 416 378 987 531 655 687 554 543 543 460 674 495 443 344 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89:227.0 90:94.0 91:188.0 96:110.0 102:223.0 103:203.0 104:202.0 105:83.0 108:46.0 117:805.0 119:126.0 125:37.0 127:324.0 132:100.0 133:362.0 142:104.0 145:2.0 146:1045.0 147:6209.0 171:95.0 177:124.0 179:87.0 188:190.0 189:78.0 191:333.0 192:122.0 193:292.0 194:58.0 195:32.0 203:116.0 204:29.0 205:70.0 207:354.0 220:136.0 249:419.0 250:149.0 251:84.0 252:38.0 265:319.0 266:81.0 267:129.0 272:13.0 281:1822.0 282:539.0 283:298.0 284:52.0 301:15.0 306:25.0 307:18.0 308:16.0 361:17.0 369:290.0 370:133.0 373:17.0 423:24.0 11181 8753 17041 20587 13388 12704 15141 16568 11200 6435 7629 7797 10565 6236 12859 3873 3878 4525 2010 990 10008 9258 13545 15635 15755 8547 11162 11933 7301 9242 9852 13455 8441 9507 10264 10464 12332 12724 16692 12009 11230 9183 8848 7842 9229 8072 12669 22528 11059 12847 10502 10682 2409 6679 12800 6604 12262 11901 10576 18184 10229 11612 7328 13884 9030 9987 11494 7054 10410 5921 6573 6920 8168 10258 9005 10095 7285 8680 10980 7139 8460 7693 5677 7950 7717 9025 20057 9550 10956 7908 7411 12956 10150 11169 85 89383 89383 359248 85:6223.0 86:181.0 94:42.0 95:31.0 96:83.0 97:194.0 99:121.0 100:39.0 102:35.0 103:42.0 109:50.0 110:79.0 111:54.0 112:31.0 113:20.0 114:30.0 127:3120.0 128:171.0 133:22.0 135:15.0 146:14.0 147:186.0 149:65.0 158:175.0 177:46.0 181:51.0 195:12.0 196:56.0 199:26.0 205:24.0 222:26.0 223:50.0 260:19.0 264:21.0 265:23.0 294:36.0 295:41.0 310:37.0 355:22.0 359:21.0 394:21.0 404:15.0 458:30.0 475:27.0 2332 2359 1911 1993 2256 1388 1469 1673 1722 2472 2923 1881 2633 2168 2218 1867 2401 2360 2475 2468 3848 2472 2224 2214 2143 2044 2567 2944 3248 2480 2494 3487 2450 2487 2811 3067 1593 1405 1952 3711 3157 3355 2663 1567 2949 2880 2028 1829 2399 2066 2402 2799 2363 2135 2209 2511 1816 1815 2557 2216 2232 2210 2734 1682 1941 1769 2024 1762 2002 2368 2396 2217 3023 3005 3424 3070 2906 3059 1980 3347 3527 3060 2725 3394 2937 3234 2759 2010 2490 2056 3105 2720 2875 2269 117 89221 89221 403834 85:335.0 87:407.0 101:992.0 102:247.0 103:414.0 113:228.0 115:865.0 116:2811.0 117:11308.0 118:1144.0 119:719.0 128:58.0 129:514.0 130:142.0 131:802.0 133:2635.0 134:351.0 135:308.0 143:2019.0 144:444.0 145:525.0 147:6916.0 149:2206.0 150:73.0 175:99.0 176:47.0 185:26.0 193:73.0 202:55.0 203:276.0 204:94.0 212:41.0 213:8.0 217:268.0 218:181.0 219:110.0 220:48.0 221:340.0 222:19.0 223:62.0 233:510.0 234:666.0 235:156.0 236:77.0 238:21.0 245:313.0 285:33.0 306:810.0 307:152.0 308:23.0 334:25.0 336:45.0 364:26.0 371:22.0 376:11.0 382:28.0 390:26.0 406:37.0 456:9.0 480:20.0 1524 1250 1923 1262 1233 1479 1930 2045 1458 1324 1563 884 1564 1185 1706 990 1352 1545 1423 807 949 1418 1592 1117 1287 960 1440 1248 1321 1469 1311 972 1929 808 1445 1788 952 1396 1308 1175 1202 1095 1521 1189 1089 760 1339 1194 1102 1193 628 1232 1169 850 1026 996 855 1134 1078 1417 915 724 964 1041 771 679 974 1268 1224 1518 779 1531 1339 996 908 1363 1143 946 1058 1081 1186 907 1382 1259 850 995 1224 2524 1269 1391 830 1140 632 823 85 88502 88502 246645 85:3100.0 86:484.0 87:204.0 88:121.0 89:74.0 91:1.0 92:1.0 93:5.0 95:73.0 97:386.0 98:218.0 99:325.0 100:177.0 101:83.0 102:220.0 103:37.0 104:25.0 105:174.0 106:66.0 107:95.0 110:312.0 111:2.0 112:152.0 113:376.0 115:46.0 117:94.0 122:6.0 126:260.0 127:640.0 128:18.0 130:268.0 131:538.0 132:159.0 133:206.0 134:333.0 135:60.0 141:11.0 142:19.0 144:17.0 145:6.0 147:8144.0 148:1038.0 149:431.0 150:47.0 151:213.0 152:93.0 153:21.0 155:85.0 157:45.0 160:9.0 164:1.0 166:11.0 171:8.0 174:1.0 175:16.0 178:37.0 180:2.0 184:15.0 186:17.0 190:6.0 191:3.0 192:15.0 199:4.0 204:1214.0 205:176.0 206:103.0 207:134.0 217:9.0 219:48.0 221:14.0 234:8.0 236:17.0 240:7.0 244:104.0 245:2.0 254:1.0 257:13.0 259:17.0 276:2.0 281:7.0 288:4.0 301:3.0 309:27.0 314:20.0 327:4.0 332:8.0 354:7.0 360:21.0 361:15.0 377:10.0 383:4.0 388:5.0 390:55.0 393:14.0 394:5.0 398:25.0 406:5.0 407:5.0 419:9.0 420:7.0 423:2.0 425:32.0 427:30.0 444:8.0 446:1.0 453:4.0 464:2.0 474:1.0 475:5.0 480:11.0 486:2.0 493:1.0 497:9.0 2201 2640 1476 2406 3148 2691 2025 1054 2312 3978 1788 3930 4059 4101 3107 5451 4402 4692 750 6766 9228 5296 3793 6108 4122 6035 4017 8557 7621 5102 4662 7199 6115 4451 4027 6797 2255 3447 2421 7492 7235 6586 5902 3514 5456 4698 3257 4198 6289 5078 3995 4722 5055 4180 4754 6319 4533 5658 3753 7618 4257 4711 4424 2371 2407 2459 2220 2215 2441 1852 3156 4799 937 7361 7755 6608 7370 6871 2769 7329 8706 8841 7275 7784 7069 6456 12087 3391 6140 4266 6988 3835 6765 6446 160 87822 87822 700035 85:206.0 86:482.0 87:460.0 88:409.0 89:4155.0 90:252.0 91:183.0 96:101.0 97:99.0 98:197.0 99:442.0 100:741.0 101:1118.0 102:470.0 103:5831.0 104:407.0 105:2036.0 106:167.0 107:110.0 108:29.0 110:133.0 111:276.0 112:76.0 113:241.0 114:843.0 115:486.0 116:136.0 117:2252.0 118:359.0 119:359.0 120:49.0 124:14.0 127:311.0 128:285.0 129:1612.0 130:552.0 131:605.0 133:2644.0 134:532.0 135:82.0 138:84.0 140:34.0 143:701.0 144:155.0 145:220.0 146:82.0 147:4091.0 149:837.0 150:149.0 152:50.0 156:154.0 157:730.0 158:151.0 159:218.0 160:8064.0 161:843.0 162:309.0 163:180.0 164:68.0 165:35.0 167:19.0 168:275.0 169:175.0 170:98.0 171:150.0 172:26.0 174:403.0 175:162.0 176:31.0 177:72.0 178:21.0 180:110.0 181:141.0 182:100.0 183:26.0 185:89.0 186:186.0 187:137.0 188:84.0 189:730.0 190:151.0 192:35.0 193:27.0 196:90.0 201:317.0 202:76.0 203:103.0 204:1542.0 205:1124.0 206:192.0 207:55.0 208:44.0 210:42.0 212:162.0 214:69.0 215:194.0 216:112.0 217:5208.0 218:1103.0 219:494.0 222:100.0 226:32.0 227:14.0 230:156.0 231:57.0 232:42.0 233:42.0 234:40.0 236:22.0 238:28.0 240:69.0 242:82.0 243:77.0 244:93.0 245:74.0 247:35.0 258:46.0 261:762.0 262:172.0 263:94.0 269:21.0 271:129.0 272:61.0 274:256.0 275:87.0 277:19.0 291:181.0 292:27.0 302:43.0 321:22.0 337:26.0 351:17.0 392:32.0 393:14.0 405:19.0 406:16.0 412:17.0 413:21.0 421:19.0 424:28.0 436:78.0 438:32.0 439:15.0 441:15.0 444:23.0 446:24.0 447:15.0 449:38.0 451:26.0 452:13.0 456:28.0 462:23.0 465:22.0 472:16.0 477:12.0 483:21.0 485:22.0 487:22.0 494:16.0 496:18.0 4661 3018 3512 4739 3184 5499 3565 16585 4257 2215 3405 1386 1734 1635 2947 1301 1729 1517 992 874 981 1995 7693 1582 2013 1884 2553 1690 1330 1845 2190 2182 1784 1751 2860 1750 2916 2820 4301 2172 1749 1779 3205 1371 3659 1036 1576 1704 2218 1816 1840 1750 1892 528 1814 1179 1705 1072 1866 1655 1576 1038 1335 2971 2224 5372 2650 3117 3460 11464 3223 2103 2241 1488 1652 2546 1570 1362 2974 1626 1233 1427 1589 2024 1490 1807 1661 1811 1690 769 925 1866 685 1361 117 87792 87792 275248 86:2077.0 87:1742.0 98:36.0 99:3707.0 100:8953.0 101:1804.0 102:759.0 103:863.0 106:92.0 114:261.0 116:375.0 117:30986.0 118:2453.0 119:1044.0 125:20.0 129:913.0 130:577.0 138:20.0 146:311.0 156:16.0 157:17.0 171:187.0 186:15.0 210:15.0 217:17.0 237:16.0 248:20.0 267:16.0 281:68.0 310:12.0 381:8.0 391:15.0 439:27.0 40725 11732 49063 41006 12207 33839 35776 34042 26474 10385 34972 7664 19288 8233 9124 8162 14216 12027 16264 11244 9215 10182 6428 10442 10666 6953 17586 9518 16897 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202:79.0 203:103.0 204:1030.0 205:1794.0 206:423.0 207:338.0 210:78.0 214:128.0 215:122.0 216:75.0 217:1668.0 218:348.0 219:206.0 221:259.0 222:86.0 223:41.0 227:62.0 228:36.0 229:187.0 234:833.0 235:319.0 236:98.0 242:35.0 244:37.0 250:30.0 252:45.0 254:48.0 256:58.0 258:91.0 261:205.0 265:62.0 267:101.0 268:45.0 277:62.0 278:62.0 282:42.0 288:26.0 290:2937.0 291:931.0 292:438.0 293:53.0 294:14.0 302:16.0 304:53.0 305:212.0 307:221.0 308:52.0 314:18.0 316:39.0 319:837.0 320:232.0 321:120.0 328:46.0 331:100.0 332:75.0 342:27.0 346:41.0 348:44.0 355:38.0 359:52.0 360:46.0 361:24.0 365:45.0 368:22.0 373:73.0 374:49.0 375:39.0 376:43.0 379:28.0 387:22.0 391:40.0 392:403.0 393:146.0 394:32.0 398:24.0 404:63.0 405:34.0 406:30.0 417:32.0 430:38.0 433:26.0 445:16.0 447:8.0 465:45.0 468:13.0 542 446 650 242 523 211 668 275 601 344 449 188 212 186 320 151 138 290 233 126 221 387 371 292 359 256 430 299 464 503 349 164 412 127 393 208 423 617 519 271 486 243 360 400 368 310 331 483 249 278 223 382 253 209 145 224 267 325 231 490 286 266 349 387 358 247 231 458 386 540 274 559 394 328 295 413 355 221 458 223 216 193 167 239 315 248 257 770 285 303 207 307 245 242 166 85067 85067 299480 85:42.0 86:124.0 88:393.0 89:1404.0 90:120.0 91:86.0 92:837.0 93:316.0 94:95.0 95:26.0 96:15.0 97:33.0 98:23.0 99:70.0 100:333.0 101:1.0 102:348.0 103:285.0 104:709.0 105:58.0 106:231.0 107:341.0 108:67.0 109:6.0 110:456.0 111:32.0 113:30.0 116:270.0 118:68.0 120:12.0 121:88.0 122:28.0 124:76.0 128:16.0 130:219.0 133:22.0 134:153.0 135:138.0 136:489.0 137:118.0 138:16.0 141:28.0 142:61.0 143:30.0 149:181.0 150:192.0 151:991.0 152:126.0 153:13.0 155:28.0 162:3.0 165:698.0 166:4365.0 167:646.0 168:229.0 170:1.0 176:182.0 177:1951.0 178:171.0 181:357.0 182:7.0 184:109.0 185:30.0 186:87.0 188:341.0 189:111.0 190:10.0 191:5.0 194:2.0 195:24.0 197:830.0 198:141.0 199:19.0 203:32.0 204:177.0 206:7.0 207:53.0 209:7.0 212:2.0 218:11.0 220:1.0 221:108.0 222:41.0 223:44.0 227:12.0 235:32.0 249:277.0 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1036 677 1647 1200 1866 1585 961 1079 1155 879 975 1929 2362 1476 1466 2456 1621 1299 1390 1559 568 1650 2002 2614 1684 1582 1824 786 1111 1462 894 774 1074 717 875 1242 742 782 773 896 944 1084 994 1430 746 744 871 828 1010 556 644 491 603 391 800 1724 1971 2090 1476 1960 2138 1825 443 1817 1509 2094 1754 2536 1636 1764 2103 626 1036 1127 1392 1155 2263 1728 99 47197 47197 894741 85:23382.0 86:1590.0 89:47.0 91:254.0 97:2139.0 98:425.0 99:11162.0 100:874.0 101:47.0 102:19.0 107:94.0 110:805.0 111:3082.0 112:800.0 113:6150.0 114:402.0 116:27.0 117:102.0 118:15.0 124:186.0 125:1404.0 126:1289.0 127:4195.0 128:443.0 131:3.0 140:209.0 141:2847.0 142:321.0 143:70.0 144:30.0 152:63.0 153:343.0 154:557.0 155:2130.0 156:280.0 164:21.0 166:27.0 168:167.0 169:1314.0 170:138.0 174:63.0 177:11.0 183:433.0 186:25.0 196:151.0 197:664.0 198:50.0 200:6.0 206:3.0 208:9.0 210:100.0 211:337.0 212:40.0 218:36.0 224:7.0 225:158.0 231:4.0 235:6.0 237:13.0 238:21.0 239:178.0 240:32.0 247:17.0 248:19.0 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468 496 444 574 512 1131 1361 391 408 435 588 309 311 270 344 768 486 630 463 724 304 171 307 225 356 509 153 130 958 901 391 1103 270 355 284 315 285 179 456 194 350 466 332 356 391 329 345 443 466 233 216 438 810 354 363 463 403 494 594 394 261 457 354 167 154 590 595 329 468 316 4937 4937 1200184 89:95.0 91:1800.0 92:127.0 93:50.0 94:30.0 95:36.0 96:80.0 104:66.0 105:703.0 107:387.0 115:636.0 116:220.0 117:607.0 118:39.0 119:684.0 120:23.0 121:125.0 126:1.0 127:136.0 128:394.0 129:418.0 130:20.0 131:538.0 132:122.0 133:83.0 135:185.0 141:113.0 142:99.0 143:218.0 144:33.0 145:72.0 147:829.0 157:73.0 159:296.0 160:15.0 161:116.0 163:139.0 165:27.0 169:4.0 173:26.0 175:551.0 176:43.0 178:46.0 179:174.0 180:1.0 187:126.0 188:14.0 189:81.0 191:1168.0 192:206.0 193:151.0 194:50.0 195:31.0 197:160.0 200:2.0 206:95.0 207:169.0 208:89.0 209:67.0 215:33.0 219:30.0 222:103.0 223:49.0 225:33.0 235:41.0 237:133.0 251:130.0 252:1.0 253:343.0 255:12.0 263:4.0 265:33.0 267:14.0 273:20.0 280:2.0 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86:61.0 87:444.0 88:16.0 90:6.0 91:219.0 92:94.0 93:495.0 94:451.0 95:2157.0 96:3066.0 97:4178.0 98:3290.0 99:594.0 100:312.0 101:643.0 102:1.0 105:80.0 106:5.0 107:374.0 108:331.0 109:1092.0 110:1397.0 111:1753.0 112:691.0 113:404.0 114:529.0 115:325.0 116:160.0 117:7.0 119:189.0 120:86.0 121:387.0 122:147.0 123:1022.0 124:554.0 125:654.0 126:103.0 127:353.0 128:114.0 129:436.0 133:103.0 134:237.0 135:271.0 136:35.0 137:542.0 138:388.0 139:323.0 140:109.0 141:123.0 143:90.0 147:131.0 148:107.0 149:90.0 150:64.0 151:340.0 152:395.0 153:193.0 154:41.0 155:47.0 157:20.0 161:71.0 162:4.0 163:61.0 164:40.0 165:232.0 166:272.0 167:94.0 168:30.0 169:150.0 170:32.0 171:4.0 172:16.0 175:65.0 177:36.0 179:120.0 180:269.0 181:50.0 183:179.0 185:75.0 188:8.0 190:12.0 193:32.0 194:84.0 196:61.0 197:45.0 199:39.0 202:5.0 203:16.0 207:132.0 208:85.0 209:22.0 210:9.0 214:3.0 216:5.0 218:154.0 220:65.0 221:53.0 222:174.0 224:9.0 226:40.0 235:15.0 236:63.0 237:9.0 241:10.0 243:1.0 245:17.0 246:66.0 247:40.0 254:2.0 260:5.0 261:5.0 263:23.0 264:366.0 265:352.0 266:74.0 283:29.0 284:6.0 295:3.0 297:30.0 300:17.0 304:2.0 308:11.0 309:9.0 314:33.0 319:8.0 326:23.0 328:1.0 332:19.0 335:6.0 342:2.0 351:8.0 354:8.0 357:20.0 365:23.0 388:2.0 389:8.0 391:15.0 395:8.0 397:9.0 398:4.0 406:6.0 409:25.0 415:18.0 417:4.0 420:8.0 431:22.0 433:10.0 434:5.0 437:21.0 446:18.0 451:1.0 456:5.0 461:15.0 466:6.0 474:20.0 478:6.0 479:12.0 484:25.0 486:20.0 489:25.0 496:14.0 217 203 146 195 203 249 268 193 116 298 147 777 2055 323 105 298 200 195 548 161 2143 985 343 247 413 172 227 159 1562 143 131 214 131 139 138 127 431 232 249 116 2875 240 2615 554 123 251 343 261 133 167 930 1038 436 129 270 528 468 190 152 237 286 181 371 219 246 149 143 117 218 129 171 297 68 1136 181 189 187 349 104 319 215 707 249 230 137 495 207 300 474 86 1328 390 1183 200 156 1996 1996 320124 86:83.0 91:85.0 99:95.0 100:1096.0 101:21.0 102:128.0 107:34.0 109:27.0 110:81.0 112:9.0 114:6.0 118:7.0 124:1.0 126:21.0 127:116.0 128:172.0 129:23.0 130:332.0 132:33.0 136:32.0 139:78.0 142:23.0 143:63.0 146:250.0 152:6.0 155:16.0 156:5187.0 157:567.0 158:244.0 160:193.0 172:5.0 184:145.0 186:19.0 193:138.0 194:17.0 196:7.0 199:12.0 200:21.0 212:32.0 216:2.0 217:39.0 227:20.0 238:3.0 245:22.0 248:4.0 256:7.0 261:1.0 266:5.0 276:6.0 280:19.0 290:2.0 292:24.0 293:27.0 303:4.0 308:6.0 313:16.0 322:11.0 324:18.0 330:2.0 333:7.0 340:25.0 352:20.0 354:8.0 357:2.0 358:17.0 360:19.0 361:21.0 365:3.0 366:21.0 371:12.0 376:1.0 379:8.0 384:2.0 389:5.0 390:11.0 392:21.0 394:6.0 402:36.0 406:1.0 408:38.0 412:7.0 415:14.0 417:24.0 420:1.0 425:8.0 426:6.0 428:4.0 433:17.0 438:13.0 441:14.0 444:3.0 446:2.0 453:6.0 454:2.0 455:26.0 458:19.0 460:13.0 464:17.0 468:8.0 470:53.0 484:1.0 494:8.0 495:10.0 496:5.0 498:3.0 499:12.0 1896 1885 1783 2205 2091 2753 2060 1896 1552 1624 1435 1315 1573 1280 1246 1150 1323 1219 1104 821 973 752 802 694 906 1154 1121 652 747 787 666 2129 851 578 585 909 1341 3037 3406 925 952 1163 936 482 896 754 524 651 708 845 942 607 737 1032 819 777 608 621 660 447 521 532 474 1912 1703 1685 2034 1238 2005 1761 1278 497 939 769 514 546 564 872 1772 482 548 942 918 844 730 595 624 1035 811 716 593 1057 622 435 103 1981 1981 422675 87:36.0 94:11.0 99:55.0 101:101.0 102:156.0 103:8936.0 104:810.0 105:257.0 107:9.0 110:127.0 111:11.0 112:49.0 113:29.0 114:67.0 118:68.0 119:49.0 122:8.0 123:22.0 127:6.0 128:8.0 129:1123.0 130:142.0 131:348.0 132:5.0 133:377.0 136:4.0 144:2.0 147:2152.0 148:60.0 149:259.0 150:38.0 151:3.0 156:62.0 161:22.0 162:14.0 175:54.0 176:30.0 177:139.0 182:4.0 183:60.0 184:5.0 185:4.0 186:51.0 187:20.0 189:99.0 190:6.0 193:7.0 195:10.0 203:85.0 210:1.0 213:1.0 218:13.0 219:1243.0 220:346.0 221:111.0 222:30.0 223:24.0 224:28.0 225:2.0 231:21.0 236:26.0 239:228.0 240:10.0 241:16.0 242:17.0 243:3.0 244:12.0 245:13.0 249:1.0 250:19.0 251:4.0 254:90.0 256:40.0 259:41.0 260:2.0 261:12.0 262:2.0 267:4.0 274:13.0 278:31.0 279:16.0 285:7.0 286:5.0 289:10.0 291:8.0 293:32.0 294:8.0 298:10.0 299:82.0 302:3.0 306:13.0 308:2.0 314:14.0 319:16.0 321:77.0 322:30.0 323:19.0 326:3.0 339:2.0 340:13.0 341:16.0 342:36.0 343:4.0 344:8.0 345:13.0 346:29.0 347:7.0 350:30.0 355:9.0 357:22.0 359:5.0 361:5.0 365:2.0 366:14.0 367:14.0 368:23.0 370:1.0 373:150.0 374:35.0 376:29.0 378:4.0 379:16.0 381:3.0 385:7.0 388:2.0 389:48.0 392:27.0 396:11.0 402:1.0 403:6.0 405:18.0 406:4.0 409:5.0 410:11.0 412:17.0 415:8.0 417:10.0 422:12.0 424:1.0 426:7.0 428:8.0 434:2.0 435:27.0 437:21.0 438:5.0 439:16.0 441:13.0 445:3.0 449:34.0 450:1.0 451:5.0 452:3.0 458:27.0 463:5.0 467:13.0 469:7.0 472:14.0 473:19.0 477:39.0 479:6.0 480:19.0 483:34.0 485:2.0 490:5.0 492:16.0 495:24.0 498:21.0 4123 3829 5375 3090 4139 2756 4905 7186 3387 2502 4246 5334 6538 5575 7922 5010 7273 6141 6620 4768 6406 5963 8199 5095 6161 3765 5773 6489 3639 7598 8128 5158 7068 4647 7042 4833 4667 9362 4991 7191 5324 4385 6048 5526 5536 4487 4945 5380 4491 4799 3786 4017 3169 3254 5040 3902 2608 4124 4421 9662 3749 3145 5336 5104 3027 2514 4916 3575 2774 4555 2993 6320 4055 4682 4364 5117 3511 3581 4042 3789 3904 3608 5219 4389 4142 3944 4176 6093 5085 4770 3851 5821 3558 4653 128 1922 1922 235421 86:83.0 89:71.0 90:59.0 94:11.0 95:7.0 96:19.0 97:299.0 99:11.0 100:2095.0 101:132.0 102:117.0 105:200.0 106:12.0 107:495.0 108:169.0 110:4233.0 111:327.0 112:131.0 113:755.0 114:42.0 118:149.0 119:59.0 122:3.0 125:54.0 126:18.0 127:263.0 128:4004.0 129:234.0 130:272.0 135:55.0 136:4.0 143:21.0 146:113.0 160:7.0 167:206.0 168:7.0 184:194.0 199:34.0 201:15.0 205:23.0 346:1.0 463:11.0 473:7.0 367 339 329 370 339 267 455 267 209 270 280 396 280 230 259 369 191 657 314 282 368 209 167 618 379 333 367 357 454 256 283 303 261 231 104 280 269 371 454 359 365 247 204 251 205 403 330 310 480 306 422 491 420 430 407 421 457 323 507 610 350 465 260 437 221 246 283 337 451 175 359 267 357 267 267 378 356 232 374 269 335 250 248 326 270 329 326 336 471 345 265 476 308 443 130 1913 1913 307995 86:1263.0 87:859.0 88:1533.0 89:3389.0 90:452.0 91:321.0 92:123.0 93:331.0 94:157.0 95:89.0 96:291.0 97:66.0 99:36.0 100:319.0 101:182.0 102:412.0 103:1038.0 104:512.0 105:1414.0 106:401.0 108:256.0 109:132.0 110:4372.0 111:129.0 113:184.0 114:1170.0 115:266.0 116:33.0 117:526.0 118:194.0 119:182.0 120:80.0 124:25.0 126:139.0 127:52.0 130:7720.0 131:1376.0 132:518.0 133:325.0 134:1084.0 135:169.0 136:350.0 137:864.0 138:46.0 139:142.0 141:15.0 143:73.0 144:36.0 146:157.0 147:1704.0 148:327.0 149:16.0 151:209.0 152:131.0 156:59.0 160:37.0 163:67.0 165:5.0 167:32.0 168:13.0 179:529.0 180:3282.0 181:399.0 182:95.0 183:19.0 184:328.0 185:60.0 197:101.0 199:273.0 200:98.0 213:219.0 216:27.0 228:85.0 229:10.0 244:38.0 272:2874.0 273:606.0 274:196.0 362:23.0 402:19.0 1174 1082 1344 2301 1122 1587 2587 1045 1189 1806 969 819 1271 923 513 879 974 938 1194 1016 1302 741 491 998 763 755 1014 715 1586 785 628 1533 960 371 911 704 502 1564 2213 1135 1088 1390 476 525 1570 836 243 574 1185 970 1080 954 1068 943 764 706 852 677 689 1163 776 1200 792 1008 66 747 2056 909 2080 220 1372 922 1005 1380 901 1122 1031 1353 1211 1315 893 1392 1295 1268 929 958 1604 731 1157 1077 1072 1330 1354 1115 187 1912 1912 855692 85:180.0 86:23.0 87:21.0 89:18.0 90:39.0 91:459.0 93:104.0 95:445.0 97:1079.0 98:28.0 99:1.0 101:190.0 103:776.0 104:17.0 105:16.0 107:51.0 109:128.0 110:2.0 111:168.0 113:51.0 114:1.0 115:63.0 116:37.0 121:33.0 123:130.0 129:653.0 130:46.0 131:2858.0 132:388.0 133:100.0 135:11.0 136:5.0 138:1.0 141:12.0 144:15.0 149:421.0 150:49.0 158:15.0 160:1.0 163:147.0 165:29.0 167:1.0 168:3.0 170:3.0 171:24.0 173:15.0 174:26.0 183:1.0 185:10.0 187:1262.0 188:229.0 189:47.0 190:27.0 193:30.0 198:25.0 205:4.0 207:62.0 208:55.0 216:4.0 238:15.0 239:9.0 252:6.0 254:14.0 255:2.0 258:13.0 261:4.0 263:27.0 283:254.0 284:72.0 288:2.0 289:6.0 298:5.0 303:8.0 305:1.0 308:12.0 311:3.0 313:7.0 321:24.0 327:32.0 334:20.0 339:50.0 340:6.0 343:19.0 347:49.0 350:1.0 356:1.0 361:6.0 368:27.0 372:4.0 373:19.0 375:12.0 376:10.0 377:7.0 382:25.0 384:13.0 385:21.0 387:37.0 389:27.0 391:16.0 394:9.0 395:8.0 409:6.0 411:8.0 416:6.0 418:34.0 420:31.0 421:7.0 423:32.0 434:1.0 435:9.0 437:13.0 443:13.0 445:26.0 448:19.0 450:2.0 452:3.0 457:38.0 459:12.0 464:3.0 470:3.0 474:3.0 476:16.0 478:14.0 482:14.0 491:14.0 495:15.0 496:13.0 500:2.0 1952 1836 1468 1836 1653 1465 1531 957 1248 2229 1204 694 722 720 580 560 678 725 807 990 1540 873 585 728 677 771 692 1081 1552 348 907 1394 1038 765 816 1100 1387 2081 2005 1426 1678 437 983 473 1748 718 493 483 710 498 639 784 711 627 528 620 713 689 734 827 613 604 708 1765 1641 1955 1638 1540 1708 1062 1973 963 1261 1285 1156 704 926 685 1514 1080 1175 1097 1082 1371 921 1118 1229 623 812 708 1102 986 1154 1059 173 1909 1909 493346 88:77.0 89:122.0 92:23.0 95:403.0 96:254.0 97:3633.0 98:221.0 99:916.0 100:61.0 101:111.0 103:55.0 109:653.0 110:62.0 111:997.0 112:131.0 113:315.0 115:671.0 116:184.0 117:2972.0 118:242.0 119:190.0 121:76.0 126:40.0 127:406.0 128:23.0 129:64.0 131:50.0 132:389.0 133:108.0 134:18.0 137:12.0 138:34.0 139:667.0 140:39.0 141:91.0 142:3.0 143:659.0 144:40.0 153:9.0 155:2144.0 156:239.0 157:1032.0 158:103.0 159:1014.0 160:77.0 171:1.0 173:2436.0 174:349.0 175:67.0 184:5.0 185:64.0 186:6.0 197:8.0 201:93.0 211:1.0 213:470.0 214:41.0 215:65.0 216:81.0 229:376.0 231:392.0 232:22.0 245:275.0 246:26.0 255:6.0 262:2.0 299:4.0 973 962 705 1086 1084 948 994 566 721 1194 682 444 411 357 473 413 553 666 555 523 757 378 318 446 510 578 451 462 691 408 441 701 536 361 521 542 752 1333 1290 504 522 527 444 346 510 468 395 326 474 301 489 504 419 474 467 452 384 401 534 740 452 451 535 1151 1109 696 961 802 1071 483 1083 515 582 776 544 500 548 593 906 608 606 715 526 712 339 561 680 427 561 510 497 582 555 439 85 1878 1878 573497 85:3295.0 86:204.0 88:10.0 95:34.0 97:72.0 99:1047.0 106:25.0 107:30.0 110:49.0 111:222.0 112:177.0 113:658.0 114:2.0 120:5.0 125:64.0 126:65.0 127:386.0 128:41.0 137:15.0 141:134.0 142:2.0 153:46.0 154:8.0 155:181.0 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