,,,,,,,file id,160204alvsa28_1,160204alvsa43_1,160203alvsa19_2,160204alvsa02_1,160204alvsa46_1,160204alvsa18_1,160204alvsa42_3,160204alvsa47_1,160205alvsa06_1,160205alvsa16_1,160204alvsa01_1,160205alvsa08_1,160203alvsa18_2,160204alvsa07_1,160203alvsa44_1,160204alvsa44_1,160203alvsa37_2,160203alvsa23_2,160203alvsa31_2,160203alvsa46_1
,,,,,,,mx class,254845,254845,254845,254845,254845,254845,254845,254845,254845,254845,254845,254845,254888,254888,254888,254888,254888,254888,254888,254888
,,,,,,,mx sample,254846,254847,254848,254849,254850,254851,254854,254855,254858,254859,254860,254861,254889,254890,254893,254894,254897,254898,254900,254901
,,,,,,,label,289-1_001,289-2_002,289-3_003,289-4_004,290-1_005,290-2_006,291-1_009,291-2_010,296-1_013,296-2_014,297-1_015,297-2_016,298-1_030,298-2_031,299-1_034,299-2_035,300-1_038,300-2_039,301-1_041,301-2_042
,,,,,,,comment,289-1,289-2,289-3,289-4,290-1,290-2,291-1,291-2,296-1,296-2,297-1,297-2,298-1,298-2,299-1,299-2,300-1,300-2,301-1,301-2
,,,,,,,species,mouse,mouse,mouse,mouse,mouse,mouse,mouse,mouse,mouse,mouse,mouse,mouse,mouse,mouse,mouse,mouse,mouse,mouse,mouse,mouse
,,,,,,,organ,cecal contents,cecal contents,cecal contents,cecal contents,cecal contents,cecal contents,cecal contents,cecal contents,cecal contents,cecal contents,cecal contents,cecal contents,cecal contents,cecal contents,cecal contents,cecal contents,cecal contents,cecal contents,cecal contents,cecal contents
,,,,,,,treatment,C57 Wildtype - mock,,,,,,,,,,,,C57 Wildtype - Streptomycin   ,,,,,,,
BinBase name,ret.index,quant mz,BB id,mass spec,KEGG,PubChem,InChI Key,,,,,,,,,,,,,,,,,,,,
xylulose NIST,553450,173,31632,85:1861.0 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,LQXVFWRQNMEDEE-PYHARJCCSA-N,2424,915,692,1087,6133,3401,8446,8505,3037,1861,372,614,366,389,376,1257,540,397,1733,603
xylose,543267,103,169,86:77.0 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,SRBFZHDQGSBBOR-IOVATXLUSA-N,56311,147145,38043,64884,180346,139909,241554,248008,94705,47009,11008,4943,13618,3649,2902,35152,6747,11287,114945,28079
xylonolactone NIST,535176,217,1808,86:6.0 88:17.0 89:5.0 101:53.0 103:590.0 104:3.0 107:94.0 109:11.0 115:14.0 117:33.0 119:41.0 129:448.0 131:202.0 132:16.0 133:173.0 134:3.0 135:35.0 141:31.0 142:3.0 143:208.0 144:4.0 145:90.0 147:1035.0 148:163.0 149:112.0 159:13.0 169:60.0 177:13.0 183:7.0 184:36.0 185:1.0 189:245.0 190:54.0 191:253.0 194:11.0 199:18.0 207:671.0 208:114.0 209:52.0 215:200.0 217:4500.0 218:698.0 219:375.0 220:23.0 221:213.0 222:17.0 225:14.0 230:96.0 231:24.0 243:82.0 244:37.0 250:13.0 259:24.0 266:5.0 268:23.0 271:2.0 275:192.0 276:28.0 291:12.0 309:8.0 328:6.0 331:1.0 333:24.0 340:2.0 343:9.0 346:19.0 353:11.0 355:71.0 356:11.0 379:12.0 381:1.0 388:5.0 401:20.0 403:17.0 437:16.0 472:22.0 475:1.0 500:14.0,C02266,439692,XXBSUZSONOQQGK-FLRLBIABSA-N,637,893,331,434,4718,1464,3032,1699,878,583,356,329,4737,1544,4153,2036,3563,5273,3591,360
xylonic acid,589278,333,3470,85:12.0 86:132.0 87:283.0 88:40.0 89:385.0 90:10.0 91:255.0 96:912.0 97:35.0 98:139.0 100:294.0 101:56.0 102:461.0 103:5264.0 104:405.0 105:101.0 107:132.0 108:89.0 113:617.0 114:30.0 116:195.0 117:279.0 118:58.0 120:212.0 123:262.0 124:390.0 126:43.0 127:52.0 128:2.0 129:1391.0 130:484.0 131:451.0 133:860.0 134:67.0 141:97.0 142:150.0 143:807.0 144:742.0 145:116.0 146:875.0 147:4046.0 148:465.0 149:600.0 151:35.0 153:45.0 157:657.0 158:7.0 160:24.0 166:63.0 169:30.0 170:71.0 171:138.0 187:39.0 189:263.0 190:21.0 191:244.0 193:3654.0 194:253.0 197:180.0 198:1283.0 199:167.0 204:57.0 205:41.0 216:3.0 217:3788.0 218:771.0 219:366.0 220:70.0 221:226.0 228:4.0 229:29.0 231:71.0 232:5.0 241:1293.0 242:167.0 243:31.0 245:373.0 266:199.0 267:101.0 268:27.0 277:149.0 278:9.0 280:3.0 292:1508.0 293:365.0 294:191.0 295:197.0 305:81.0 306:37.0 307:458.0 308:150.0 309:40.0 310:135.0 319:138.0 320:21.0 321:15.0 333:1114.0 334:337.0 335:147.0 363:3.0 366:2.0 373:1.0 377:4.0 378:9.0 389:1.0 393:26.0 407:1.0 418:3.0 421:6.0 446:3.0 469:2.0 497:1.0 499:4.0,C00502,6602431,QXKAIJAYHKCRRA-FLRLBIABSA-N,545,559,405,419,632,936,484,576,709,474,350,348,2108,1706,2584,22322,1962,1737,5850,1847
xylitol,567437,217,5857,85:22.0 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,HEBKCHPVOIAQTA-NGQZWQHPSA-N,615,1018,537,898,1873,3348,2826,2898,567,1344,676,733,23888,17043,31740,145436,23089,29995,39771,25779
xanthosine,926133,325,104466,85:67.0 86:155.0 87:150.0 88:146.0 89:671.0 93:64.0 95:58.0 97:44.0 98:90.0 99:197.0 100:550.0 101:133.0 103:3879.0 105:225.0 110:78.0 111:54.0 112:11.0 113:368.0 115:260.0 116:324.0 117:679.0 119:186.0 122:27.0 123:48.0 125:93.0 127:190.0 129:1315.0 131:290.0 133:738.0 134:188.0 135:75.0 141:43.0 142:136.0 143:165.0 144:243.0 145:138.0 146:15.0 147:4210.0 148:264.0 149:485.0 153:108.0 154:74.0 155:91.0 157:331.0 158:221.0 160:31.0 163:49.0 164:64.0 166:59.0 169:572.0 170:148.0 171:112.0 172:81.0 173:121.0 174:134.0 177:42.0 181:26.0 187:44.0 189:221.0 191:191.0 192:31.0 196:49.0 198:13.0 207:229.0 210:34.0 213:24.0 215:91.0 217:1856.0 218:564.0 219:240.0 220:65.0 221:150.0 224:42.0 225:18.0 226:15.0 227:25.0 229:111.0 230:2064.0 231:485.0 232:181.0 233:61.0 234:53.0 237:121.0 238:108.0 241:23.0 242:31.0 243:706.0 244:233.0 245:1741.0 246:354.0 247:308.0 248:28.0 252:61.0 253:32.0 258:211.0 259:330.0 260:166.0 265:320.0 266:118.0 267:42.0 273:7.0 278:39.0 279:131.0 281:1306.0 282:301.0 283:204.0 284:38.0 289:36.0 294:88.0 295:318.0 297:805.0 298:306.0 299:51.0 303:53.0 304:35.0 306:17.0 309:100.0 321:135.0 322:61.0 323:53.0 324:110.0 325:3237.0 326:872.0 327:370.0 328:151.0 329:52.0 331:21.0 333:33.0 334:7.0 335:47.0 343:24.0 345:13.0 348:195.0 349:143.0 350:29.0 351:42.0 352:52.0 353:195.0 357:21.0 359:18.0 360:23.0 367:114.0 368:186.0 369:980.0 370:443.0 371:256.0 372:45.0 373:56.0 378:45.0 381:30.0 382:18.0 387:38.0 392:29.0 395:147.0 397:8.0 398:45.0 399:30.0 401:14.0 406:21.0 407:19.0 410:98.0 411:204.0 412:136.0 416:24.0 423:61.0 424:25.0 426:81.0 427:40.0 428:33.0 429:58.0 438:10.0 444:19.0 452:28.0 453:34.0 464:33.0 465:53.0 469:25.0 471:16.0 472:22.0 482:40.0 483:84.0 484:56.0 485:49.0 486:26.0 492:10.0 496:40.0 497:44.0 499:34.0,C01762,64959,UBORTCNDUKBEOP-UUOKFMHZSA-N,583,387,416,372,1534,983,11120,695,500,314,230,243,259,250,207,262,235,211,397,207
xanthine,701688,353,1669,85:2517.0 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,LRFVTYWOQMYALW-UHFFFAOYSA-N,5262,732,2548,2260,6312,8151,12518,8983,1756,868,750,712,9852,1139,3178,2174,1661,1030,2946,882
vanillic acid,597845,297,16595,85:131.0 89:849.0 90:76.0 91:619.0 92:175.0 93:132.0 95:115.0 98:479.0 99:51.0 102:88.0 103:1501.0 104:166.0 105:538.0 106:42.0 107:324.0 109:223.0 110:100.0 111:1.0 112:7.0 113:5.0 117:953.0 119:173.0 120:75.0 121:296.0 122:117.0 123:121.0 125:7.0 126:1381.0 127:5.0 129:256.0 131:24.0 133:502.0 135:374.0 137:601.0 138:84.0 139:31.0 141:299.0 143:39.0 147:1397.0 148:616.0 149:333.0 150:109.0 151:178.0 153:51.0 157:393.0 159:55.0 161:23.0 163:118.0 164:99.0 165:764.0 172:28.0 175:19.0 178:125.0 179:507.0 180:160.0 181:191.0 182:27.0 189:251.0 190:19.0 191:85.0 193:835.0 194:171.0 195:105.0 196:1.0 198:47.0 203:4.0 204:225.0 205:306.0 206:70.0 211:11.0 217:1140.0 218:175.0 219:153.0 221:132.0 223:1802.0 224:361.0 225:237.0 231:91.0 232:24.0 237:12.0 238:11.0 239:20.0 243:7.0 246:22.0 247:45.0 253:1326.0 254:291.0 255:109.0 256:2.0 257:56.0 259:129.0 260:38.0 267:2555.0 268:464.0 269:133.0 271:5.0 272:28.0 275:9.0 277:42.0 278:24.0 282:1272.0 283:251.0 284:74.0 285:8.0 291:16.0 292:619.0 293:199.0 294:97.0 297:2354.0 298:554.0 299:247.0 300:1.0 301:24.0 305:145.0 306:35.0 307:132.0 311:4.0 312:1002.0 313:254.0 314:58.0 318:10.0 319:25.0 321:11.0 330:4.0 331:28.0 333:81.0 335:11.0 363:29.0 368:6.0 378:3.0 422:3.0 455:16.0 474:1.0 477:1.0,C06672,8468,WKOLLVMJNQIZCI-UHFFFAOYSA-N,335,488,451,532,1022,988,1302,868,1308,607,333,289,497,771,696,12942,1197,794,2802,791
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uric acid,730691,441,23,85:3006.0 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,LEHOTFFKMJEONL-UHFFFAOYSA-N,985,1307,466,389,2774,1660,1936,994,600,482,370,472,2252,435,2982,21792,407,1139,4304,853
urea,326574,189,3256,85:859.0 86:1343.0 87:2349.0 88:432.0 90:43.0 91:99.0 92:36.0 98:133.0 99:5452.0 100:6216.0 101:1289.0 102:803.0 103:149.0 107:195.0 110:309.0 111:554.0 113:326.0 114:765.0 115:629.0 116:182.0 117:375.0 118:388.0 126:44.0 127:542.0 129:155.0 130:2178.0 131:1631.0 132:1249.0 133:328.0 134:319.0 136:55.0 137:40.0 138:7.0 139:106.0 140:86.0 141:220.0 143:208.0 144:172.0 146:1945.0 147:24448.0 148:4280.0 149:1831.0 151:119.0 155:378.0 157:483.0 160:72.0 166:59.0 169:38.0 171:16373.0 172:2633.0 173:2446.0 181:85.0 183:84.0 184:456.0 185:58.0 186:860.0 187:128.0 188:248.0 189:9229.0 190:1672.0 191:671.0 196:25.0 204:236.0 207:6.0 229:8.0 231:42.0 247:14.0 271:11.0 277:9.0 278:14.0 309:1.0 316:22.0 322:5.0 327:11.0 331:1.0 333:36.0 339:21.0 344:7.0 385:9.0 403:16.0 404:11.0 432:51.0 434:14.0 460:6.0 462:3.0 471:9.0 481:1.0 498:11.0 500:4.0,C00086,1176,XSQUKJJJFZCRTK-UHFFFAOYSA-N,11888,7011,3586,2977,12172,7971,12741,13265,11851,8724,671,2792,89397,128990,42930,600975,17260,31154,323102,36976
uracil,385735,241,1664,85:23877.0 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,ISAKRJDGNUQOIC-UHFFFAOYSA-N,14845,2820,12169,13271,50537,38272,60998,66755,15701,7049,3419,3964,9645,13527,1475,5062,922,2533,2872,5736
UDP-N-acetylglucosamine,625003,226,62293,85:4594.0 86:2434.0 87:5676.0 88:2426.0 89:22785.0 90:2257.0 91:1405.0 92:340.0 94:1847.0 96:6574.0 97:93.0 99:8137.0 100:9605.0 101:16140.0 102:6431.0 103:46004.0 104:4259.0 105:3285.0 106:541.0 108:3269.0 109:1371.0 110:1904.0 111:2899.0 112:2358.0 113:15201.0 114:6085.0 115:11835.0 116:17008.0 117:69042.0 118:8172.0 119:7805.0 120:768.0 121:286.0 122:1242.0 123:330.0 124:1545.0 125:766.0 126:1977.0 127:2556.0 128:8930.0 129:35102.0 130:7586.0 131:19763.0 132:5571.0 133:33557.0 134:4824.0 135:4564.0 136:2960.0 138:316.0 139:820.0 140:1653.0 141:1580.0 142:2035.0 143:11712.0 144:3889.0 145:3103.0 146:753.0 147:115694.0 148:17607.0 149:20826.0 150:4640.0 151:2055.0 152:1001.0 153:262.0 154:1127.0 155:1474.0 157:10675.0 158:7034.0 159:12586.0 160:7126.0 161:1737.0 162:872.0 163:9151.0 164:1674.0 165:856.0 166:673.0 168:3777.0 169:2599.0 170:12522.0 171:2356.0 172:1934.0 173:13204.0 174:4234.0 175:4212.0 176:769.0 177:4620.0 178:929.0 179:560.0 180:513.0 181:649.0 182:4727.0 184:4743.0 185:1943.0 186:1855.0 187:964.0 188:634.0 189:22851.0 190:4710.0 191:35362.0 192:6731.0 193:3431.0 194:891.0 195:174.0 196:3059.0 197:2003.0 198:10420.0 199:1828.0 200:1435.0 201:1841.0 202:6632.0 203:18946.0 204:31637.0 205:11280.0 206:3545.0 207:481.0 208:243.0 210:3738.0 211:2606.0 212:487.0 213:621.0 214:511.0 215:3451.0 216:1356.0 217:43066.0 218:39953.0 219:10755.0 220:3472.0 224:2907.0 225:249.0 226:23168.0 227:2788.0 228:902.0 229:975.0 230:3788.0 231:19588.0 232:4142.0 233:10930.0 234:2279.0 235:947.0 237:8.0 239:2776.0 240:917.0 241:488.0 242:613.0 243:1054.0 244:812.0 245:701.0 246:3647.0 247:728.0 248:367.0 249:68.0 250:40.0 254:151.0 255:347.0 257:707.0 258:1635.0 259:540.0 260:112.0 261:80.0 264:12.0 268:247.0 269:80.0 270:703.0 271:290.0 272:1353.0 273:507.0 274:838.0 275:793.0 276:107.0 277:66.0 280:48.0 283:7.0 284:518.0 285:231.0 286:632.0 287:399.0 288:419.0 289:166.0 291:258.0 296:15.0 298:163.0 300:3427.0 301:1447.0 302:447.0 303:147.0 304:81.0 305:209.0 306:69.0 307:67.0 313:170.0 314:1865.0 315:391.0 316:2581.0 317:893.0 318:3376.0 319:2285.0 320:860.0 321:418.0 322:79.0 323:64.0 324:1.0 328:36.0 329:8150.0 330:2007.0 331:864.0 332:223.0 335:5.0 337:27.0 345:41.0 358:31.0 359:24.0 364:43.0 371:21.0 376:27.0 377:11.0 379:9.0 380:26.0 381:10.0 382:6.0 392:14.0 397:15.0 403:102.0 404:1718.0 405:730.0 406:336.0 407:16.0 408:14.0 409:10.0 410:10.0 414:9.0 419:172.0 422:11.0 423:1.0 424:9.0 426:3.0 430:104.0 431:34.0 432:16.0 439:6.0 443:13.0 448:4.0 457:8.0 467:17.0 469:4.0 470:5.0 479:13.0 480:8.0 481:15.0 486:2.0 489:3.0 492:8.0 493:14.0 495:9.0 497:1.0 498:4.0 499:3.0,C00043,445675,LFTYTUAZOPRMMI-CFRASDGPSA-N,749,1564,435,404,1254,1262,1804,1829,2563,2359,398,624,1150,969,1171,3234,1240,1268,1707,1030
UDP-glucuronic acid,585473,217,21705,85:836.0 86:140.0 89:1123.0 90:104.0 91:79.0 93:59.0 95:150.0 97:257.0 98:49.0 99:769.0 100:56.0 101:10488.0 102:871.0 103:3819.0 104:238.0 105:458.0 107:72.0 108:6.0 109:366.0 111:1096.0 112:28.0 113:631.0 114:58.0 115:828.0 116:9417.0 117:6717.0 118:797.0 119:682.0 120:43.0 121:42.0 122:1.0 123:812.0 124:139.0 125:97.0 126:23.0 127:433.0 129:8544.0 130:854.0 131:1568.0 132:223.0 133:3913.0 134:477.0 135:419.0 137:566.0 141:107.0 142:141.0 143:4198.0 144:457.0 145:334.0 147:5685.0 148:680.0 149:1111.0 150:101.0 151:86.0 155:743.0 156:164.0 157:6510.0 158:761.0 159:724.0 160:15.0 161:286.0 163:13.0 165:101.0 169:120.0 171:176.0 173:86.0 175:39.0 177:207.0 178:9.0 183:265.0 189:506.0 190:77.0 191:2218.0 192:323.0 193:111.0 197:9.0 201:1.0 203:73.0 215:54.0 216:181.0 217:37737.0 218:7712.0 219:3330.0 220:378.0 230:67.0 231:97.0 232:65.0 233:9.0 234:2.0 243:715.0 244:141.0 245:226.0 246:29.0 247:42.0 260:2.0 273:95.0 319:1196.0 320:347.0 321:140.0,C00167,17473,HDYANYHVCAPMJV-LXQIFKJMSA-N,782,851,779,615,1636,1279,3287,1338,1923,2388,557,1019,1128,607,906,9351,933,1028,15374,5934
tyrosine,673283,218,68070,87:23595.0 89:111414.0 90:117260.0 91:238597.0 92:54999.0 93:2199.0 95:10000.0 100:2598751.0 101:503980.0 102:148323.0 103:115009.0 104:78812.0 105:125448.0 106:27217.0 107:41239.0 108:6474.0 109:14431.0 115:57546.0 116:26967.0 117:90374.0 118:106573.0 119:110128.0 120:21721.0 121:42196.0 122:7926.0 123:12673.0 124:1318.0 130:102981.0 131:228934.0 132:272951.0 133:492019.0 134:111375.0 135:150104.0 136:38008.0 137:18372.0 138:2038.0 145:52417.0 146:64030.0 147:1384165.0 148:295470.0 149:372697.0 150:82486.0 151:58794.0 152:19957.0 158:20853.0 159:54452.0 160:58751.0 161:88644.0 162:45303.0 163:283330.0 164:136638.0 165:121436.0 166:32907.0 167:4238.0 175:76339.0 176:82140.0 177:122676.0 178:35180.0 179:918951.0 180:199788.0 181:66564.0 182:12684.0 190:52575.0 191:28425.0 192:145130.0 193:103150.0 194:26101.0 195:4388.0 203:36938.0 204:17250.0 206:7749.0 207:44341.0 208:31456.0 209:7897.0 210:3159.0 218:3611007.0 219:2002419.0 220:811154.0 221:230675.0 222:35516.0 223:27336.0 224:3210.0 233:2998.0 234:7485.0 235:2057.0 236:3802.0 237:7560.0 247:813.0 248:10164.0 249:13178.0 250:12178.0 251:11859.0 252:1246.0 264:9291.0 265:55677.0 266:32856.0 267:16943.0 276:1429.0 277:2069.0 278:11208.0 279:30327.0 280:292268.0 281:83040.0 282:28600.0 283:7122.0 290:2728.0 291:8869.0 292:41624.0 293:27337.0 294:11150.0 295:4023.0 306:1859.0 307:5219.0 308:1668.0 309:712.0 323:110.0 324:1328.0 338:2076.0 339:1481.0 351:193.0 352:2059.0 353:1431.0 354:174471.0 355:61354.0 363:309.0 364:3527.0 365:552.0 366:4873.0 380:2389.0 381:1770.0 387:578.0 392:251.0 393:137.0 394:121.0 396:164.0 399:419.0 400:5.0 401:265.0 419:509.0 420:399.0 421:576.0 422:379.0 423:138.0 424:61.0 426:83.0 427:152.0 430:112.0 439:32.0 441:107.0 442:123.0 444:286.0 452:94.0 453:149.0 454:264.0 455:180.0 457:4.0 458:51.0 459:65.0 460:143.0 462:96.0 463:163.0 464:114.0 465:161.0 466:107.0 467:194.0 468:152.0 469:232.0 470:277.0 472:301.0 473:240.0 476:58.0 478:72.0 479:109.0 480:43.0 484:161.0 485:112.0 486:55.0 490:206.0 491:142.0 492:219.0 493:131.0 495:201.0 496:115.0 497:208.0 498:216.0 499:226.0 500:218.0,C00082,6057,OUYCCCASQSFEME-QMMMGPOBSA-N,44215,58611,22685,16415,101923,75229,152988,122756,53000,37510,12565,14800,35164,28122,35607,208414,15477,22971,235214,35138
tyramine,664737,174,17381,85:11423.0 86:497290.0 87:41826.0 88:17095.0 89:17977.0 90:14664.0 91:27350.0 92:2331.0 93:2206.0 94:330.0 95:3925.0 96:515.0 97:1154.0 98:878.0 99:5395.0 100:205535.0 101:29626.0 102:26271.0 103:11920.0 104:5738.0 105:13899.0 106:1612.0 107:5101.0 108:518.0 109:2410.0 110:608.0 111:694.0 112:272.0 113:5828.0 114:4885.0 115:9457.0 116:18813.0 117:32728.0 118:5975.0 119:8565.0 120:1487.0 121:7764.0 122:1182.0 123:1995.0 124:362.0 125:2267.0 126:460.0 127:552.0 128:1039.0 129:3260.0 130:38854.0 131:27710.0 132:8118.0 133:14239.0 134:3731.0 135:13794.0 136:2290.0 137:2325.0 138:476.0 139:376.0 140:264.0 141:751.0 142:903.0 143:1579.0 144:10588.0 145:7537.0 146:5900.0 147:5513.0 148:3213.0 149:34505.0 150:5640.0 151:6158.0 152:878.0 153:388.0 154:548.0 155:253.0 156:1.0 157:377.0 158:10466.0 159:12309.0 160:6309.0 161:5989.0 162:6189.0 163:16091.0 164:13121.0 165:10204.0 166:1817.0 167:527.0 168:245.0 169:1095.0 170:289.0 171:195.0 172:9039.0 173:2983.0 174:939135.0 175:171518.0 176:77489.0 177:17185.0 178:3640.0 179:42253.0 180:7569.0 181:2759.0 182:359.0 183:4.0 186:53.0 187:234.0 188:620.0 189:81.0 190:9950.0 191:2713.0 192:2564.0 193:7685.0 194:1739.0 195:2050.0 196:330.0 197:148.0 200:19.0 201:203.0 202:292.0 204:68.0 206:714.0 207:6087.0 208:1764.0 209:1487.0 210:251.0 211:129.0 212:16.0 214:86.0 215:170.0 216:214.0 218:285.0 219:645.0 220:555.0 221:1782.0 222:551.0 223:4387.0 224:982.0 225:277.0 226:81.0 228:59.0 229:125.0 231:48.0 232:847.0 233:847.0 234:1120.0 235:666.0 236:463.0 237:1900.0 238:551.0 239:126.0 240:83.0 242:6.0 243:60.0 244:34.0 245:45.0 246:257.0 247:247.0 248:4705.0 249:2308.0 250:15815.0 251:3965.0 252:1469.0 253:307.0 254:114.0 258:27.0 260:18.0 261:39.0 262:397.0 263:195.0 264:13459.0 265:3836.0 266:1738.0 267:393.0 268:25.0 269:15.0 273:123.0 274:2.0 275:78.0 276:25.0 278:355.0 279:79.0 280:323.0 281:21.0 283:25.0 284:12.0 285:10.0 287:6.0 289:16.0 290:16.0 292:81.0 293:42.0 296:6.0 298:12.0 299:46.0 300:40.0 301:20.0 302:21.0 303:14.0 304:31.0 306:112.0 310:17.0 311:11.0 312:25.0 313:10.0 314:13.0 315:19.0 318:21.0 322:326.0 323:143.0 324:49.0 327:136.0 328:12.0 329:4.0 330:10.0 336:121.0 337:569.0 338:29536.0 339:10152.0 340:4846.0 341:935.0 342:254.0 343:60.0 347:1.0 348:8.0 349:15.0 351:347.0 352:627.0 353:223.0 354:27.0 359:1.0 361:15.0 369:1.0 373:17.0 374:7.0 375:7.0 383:1.0 397:9.0 400:2.0 403:27.0 448:23.0 449:1.0 462:9.0 463:6.0 465:2.0 470:5.0 489:2.0 495:1.0,C00483,5610,DZGWFCGJZKJUFP-UHFFFAOYSA-N,35236,77840,7461,8638,225607,71769,285636,282992,85211,66663,7015,17906,9853,13349,23937,441035,22039,9909,112719,26531
tryptophan,780482,202,14,86:650.0 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,QIVBCDIJIAJPQS-VIFPVBQESA-N,8024,18047,6253,8438,63737,25774,88883,66366,29492,14632,5838,4306,24295,7310,16119,131752,4856,13544,101097,13683
trehalose,948197,191,111823,85:94.0 98:34.0 99:34.0 103:3530.0 104:205.0 109:159.0 111:125.0 113:165.0 116:172.0 117:768.0 118:42.0 119:60.0 120:25.0 129:2648.0 130:212.0 131:480.0 132:80.0 133:615.0 135:78.0 139:73.0 140:35.0 147:3851.0 148:529.0 149:300.0 150:65.0 151:32.0 154:24.0 155:298.0 157:181.0 169:1745.0 170:122.0 171:166.0 173:76.0 174:14.0 177:56.0 181:35.0 189:344.0 190:84.0 191:3330.0 192:394.0 193:183.0 199:37.0 202:16.0 205:62.0 206:30.0 207:87.0 216:17.0 217:1688.0 218:232.0 219:78.0 227:35.0 229:97.0 230:43.0 231:56.0 233:31.0 234:37.0 235:22.0 241:72.0 243:523.0 244:124.0 245:132.0 246:21.0 247:41.0 253:23.0 255:17.0 259:37.0 263:21.0 265:25.0 271:435.0 272:78.0 273:32.0 280:16.0 286:15.0 291:35.0 293:20.0 305:41.0 313:16.0 316:14.0 318:25.0 319:98.0 331:203.0 332:39.0 345:44.0 346:15.0 361:2966.0 362:928.0 363:379.0 364:46.0 415:12.0 421:14.0 434:13.0 444:13.0 454:16.0 463:21.0 464:24.0,,,,3934,7583,4215,6557,11710,10726,50185,15501,10537,7450,3468,1894,622,1413,2302,9205,2102,2164,4772,1659
trans-4-hydroxyproline,484934,140,97,86:372.0 89:284.0 90:59.0 91:69.0 92:49.0 93:31.0 94:113.0 98:417.0 99:325.0 100:732.0 101:893.0 102:221.0 103:507.0 104:90.0 105:127.0 108:76.0 113:184.0 115:459.0 116:227.0 117:406.0 118:167.0 119:229.0 121:37.0 122:66.0 124:225.0 129:565.0 131:516.0 132:187.0 133:938.0 135:153.0 137:32.0 138:53.0 140:11400.0 141:1426.0 142:1450.0 143:252.0 144:87.0 145:79.0 147:2770.0 148:205.0 149:527.0 150:112.0 152:56.0 158:335.0 159:132.0 160:47.0 161:59.0 167:37.0 168:89.0 170:174.0 171:68.0 172:129.0 173:41.0 174:94.0 175:71.0 178:97.0 181:14.0 183:52.0 184:68.0 185:36.0 187:73.0 188:191.0 189:7.0 191:52.0 194:23.0 196:28.0 206:36.0 211:42.0 212:24.0 214:244.0 215:107.0 216:109.0 228:105.0 229:65.0 230:8425.0 231:1487.0 232:456.0 235:14.0 237:23.0 239:17.0 244:28.0 250:36.0 255:28.0 279:45.0 285:37.0 288:28.0 289:23.0 290:24.0 298:33.0 299:49.0 304:201.0 305:68.0 306:55.0 312:16.0 313:15.0 314:14.0 315:31.0 317:15.0 322:20.0 326:22.0 327:9.0 328:39.0 329:16.0 330:31.0 332:89.0 333:53.0 334:57.0 335:16.0 340:19.0 343:40.0 348:6.0 352:14.0 355:10.0 356:34.0 359:18.0 361:17.0 362:19.0 363:48.0 374:23.0 379:23.0 383:18.0 385:14.0 387:17.0 389:14.0 394:18.0 398:19.0 402:31.0 403:14.0 404:60.0 405:108.0 407:40.0 415:17.0 417:21.0 420:34.0 421:19.0 422:22.0 423:21.0 425:16.0 427:16.0 428:17.0 429:24.0 430:17.0 431:23.0 434:36.0 435:19.0 437:18.0 438:31.0 440:20.0 444:24.0 446:13.0 448:12.0 450:19.0 457:17.0 470:17.0 471:33.0 474:13.0 475:16.0 476:13.0 478:18.0 480:16.0 486:12.0 495:33.0 498:15.0 500:6.0,C01157,5810,PMMYEEVYMWASQN-DMTCNVIQSA-N,11035,28701,4446,8004,94743,63037,69311,54733,37272,18347,3322,6502,64509,55070,75499,775326,76568,76662,162659,58016
tocopherol gamma-,1026121,223,4545,85:7.0 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,QUEDXNHFTDJVIY-DQCZWYHMSA-N,2132,4122,2265,2471,6843,1989,8920,4807,10161,5412,1894,1557,1636,826,1304,5685,1483,1687,2799,1204
tocopherol beta NIST,1022815,223,42194,85:68.0 93:9.0 95:72.0 97:57.0 101:38.0 107:36.0 111:19.0 123:55.0 127:63.0 129:202.0 130:38.0 136:55.0 142:24.0 143:39.0 145:98.0 152:6.0 153:2.0 155:35.0 159:62.0 164:8.0 165:77.0 166:38.0 167:38.0 175:69.0 176:70.0 177:140.0 179:134.0 180:79.0 181:32.0 183:18.0 186:9.0 188:18.0 189:66.0 192:33.0 193:427.0 194:381.0 195:216.0 196:45.0 198:15.0 203:20.0 204:10.0 205:59.0 206:20.0 207:797.0 208:341.0 209:512.0 210:90.0 212:79.0 213:29.0 216:17.0 218:4.0 219:45.0 220:36.0 222:2661.0 223:1938.0 224:457.0 225:97.0 226:22.0 232:10.0 233:31.0 235:109.0 236:9.0 237:64.0 239:27.0 242:41.0 243:18.0 248:28.0 249:126.0 250:14.0 251:38.0 253:159.0 256:2.0 260:1.0 261:30.0 263:365.0 264:43.0 265:57.0 269:28.0 271:6.0 277:38.0 281:333.0 282:142.0 283:152.0 286:2.0 297:4.0 300:11.0 309:176.0 310:63.0 311:17.0 313:27.0 314:41.0 315:4.0 316:6.0 317:15.0 318:6.0 324:12.0 326:25.0 327:31.0 328:44.0 329:7.0 332:10.0 333:10.0 339:27.0 340:21.0 341:240.0 343:72.0 344:51.0 345:16.0 347:13.0 353:15.0 355:155.0 356:107.0 357:12.0 358:10.0 360:14.0 362:6.0 366:16.0 370:7.0 371:42.0 373:5.0 376:4.0 380:7.0 382:6.0 385:2.0 388:2.0 391:10.0 393:11.0 394:3.0 397:10.0 401:35.0 402:41.0 404:15.0 415:29.0 416:40.0 431:27.0 432:12.0 445:14.0 447:49.0 450:9.0 451:9.0 455:11.0 457:9.0 459:80.0 461:5.0 462:10.0 469:4.0 475:61.0 476:41.0 477:36.0 478:15.0 484:7.0 487:32.0 488:746.0 489:506.0 490:278.0 491:94.0 492:30.0 493:8.0 494:17.0,C14152,8989,WGVKWNUPNGFDFJ-CBIUGAAKSA-N,614,1225,570,757,1896,957,1780,1017,2559,1470,773,587,287,389,587,1037,540,648,496,604
tocopherol alpha-,1066526,237,72408,90:27.0 92:61.0 94:13.0 95:202.0 97:63.0 98:7.0 100:8.0 102:11.0 105:100.0 106:8.0 107:81.0 109:83.0 110:13.0 115:126.0 116:36.0 117:56.0 119:239.0 121:60.0 123:23.0 124:17.0 129:110.0 130:20.0 131:100.0 133:28.0 134:20.0 135:16.0 136:70.0 137:19.0 138:6.0 140:7.0 143:39.0 144:13.0 145:77.0 149:98.0 150:21.0 151:15.0 157:16.0 161:50.0 162:24.0 163:79.0 164:58.0 166:25.0 170:8.0 173:39.0 177:10.0 178:40.0 180:31.0 186:12.0 189:41.0 191:139.0 193:110.0 198:15.0 199:10.0 201:18.0 203:74.0 204:34.0 205:109.0 206:41.0 207:366.0 208:149.0 209:103.0 210:21.0 212:16.0 215:7.0 216:3.0 217:15.0 219:73.0 223:130.0 224:86.0 225:45.0 226:13.0 228:1.0 229:15.0 230:28.0 231:39.0 232:44.0 235:128.0 236:1613.0 237:3353.0 238:610.0 239:122.0 240:12.0 245:12.0 246:32.0 247:53.0 248:35.0 249:51.0 250:12.0 251:17.0 254:10.0 257:14.0 261:62.0 262:31.0 263:52.0 264:9.0 265:5.0 266:5.0 275:51.0 276:37.0 277:147.0 280:8.0 285:6.0 288:8.0 290:14.0 291:16.0 295:4.0 319:25.0 320:6.0 326:12.0 327:15.0 328:6.0 332:14.0 334:2.0 336:13.0 337:9.0 338:10.0 339:18.0 343:27.0 348:9.0 350:14.0 351:12.0 355:18.0 357:5.0 358:9.0 360:28.0 361:23.0 363:4.0 364:24.0 365:21.0 366:12.0 367:7.0 370:22.0 373:21.0 374:18.0 379:12.0 380:4.0 381:4.0 383:11.0 385:15.0 386:13.0 388:16.0 391:23.0 395:10.0 396:20.0 397:11.0 398:5.0 399:24.0 402:34.0 403:13.0 404:15.0 405:16.0 406:4.0 408:5.0 410:14.0 411:9.0 412:16.0 415:25.0 416:11.0 417:10.0 428:3.0 434:6.0 437:3.0 438:8.0 444:6.0 446:15.0 451:20.0 457:10.0 458:5.0 463:3.0 465:3.0 467:12.0 468:2.0 470:13.0 471:4.0 475:2.0 479:1.0 480:7.0 484:14.0 485:9.0 486:15.0 487:9.0 492:17.0 493:5.0 494:12.0 495:7.0 497:11.0 498:8.0 500:26.0,C00376,638015,NCYCYZXNIZJOKI-OVSJKPMPSA-N,13132,21111,12607,13035,37061,27983,36431,23333,39939,23377,12029,7454,8546,4292,7966,29010,5456,7937,15643,6889
thymine,420133,255,1692,85:666.0 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,RWQNBRDOKXIBIV-UHFFFAOYSA-N,5443,4168,3614,2830,7045,7665,6731,7518,2887,3063,1294,1436,3947,1523,1639,4601,1193,1855,4999,690
thymidine,349402,170,87703,85:2128.0 86:315.0 87:993.0 88:296.0 89:761.0 90:170.0 91:199.0 93:88.0 94:143.0 95:637.0 96:198.0 97:555.0 98:401.0 99:2720.0 100:964.0 101:6820.0 102:681.0 103:10367.0 104:790.0 105:668.0 109:307.0 111:3809.0 112:435.0 113:4473.0 114:564.0 115:1105.0 116:667.0 117:787.0 118:65.0 119:288.0 124:34.0 125:1815.0 126:288.0 127:3843.0 128:439.0 129:3217.0 130:471.0 131:1443.0 132:211.0 133:2376.0 134:328.0 137:202.0 138:28.0 139:81.0 140:63.0 141:578.0 142:1137.0 143:1994.0 144:213.0 145:97.0 146:99.0 147:9723.0 148:1575.0 149:989.0 150:116.0 151:217.0 153:123.0 154:65.0 155:21288.0 156:3228.0 157:3465.0 158:336.0 159:26.0 161:30.0 167:99.0 169:20431.0 170:21917.0 171:3726.0 172:658.0 173:100.0 174:38.0 175:26.0 177:61.0 178:40.0 179:63.0 185:18.0 189:271.0 201:39.0 203:35.0 204:21.0 215:125.0 216:35.0 217:534.0 218:131.0 219:36.0 223:17.0 224:22.0 229:15.0 230:116.0 231:33.0 232:32.0 235:36.0 236:26.0 237:15.0 238:22.0 240:70.0 242:34.0 243:22.0 244:46.0 245:130.0 246:48.0 248:23.0 249:30.0 250:18.0 251:33.0 252:29.0 253:36.0 254:24.0 257:21.0 259:48.0 260:45.0 265:29.0 266:27.0 268:35.0 269:61.0 270:22.0 275:28.0 277:19.0 279:25.0 281:41.0 286:23.0 289:23.0 290:15.0 295:13.0 305:33.0 307:25.0 308:34.0 309:25.0 318:37.0 322:16.0 325:13.0 328:29.0 332:29.0 334:39.0 336:14.0 346:19.0 349:25.0 350:19.0 352:22.0 353:31.0 354:24.0 357:17.0 360:15.0 361:19.0 362:26.0 363:27.0 364:20.0 367:17.0 368:19.0 399:14.0 406:13.0 411:19.0 428:20.0 436:23.0 445:23.0 450:31.0 460:19.0 461:17.0 466:26.0 470:13.0 472:25.0 476:17.0 478:39.0 479:14.0 486:27.0 494:14.0 495:28.0 496:34.0 499:18.0,C00214,5789,IQFYYKKMVGJFEH-XLPZGREQSA-N,1017,314,549,648,300,538,593,326,737,244,299,490,410,288,281,402,286,289,761,287
threonine,410833,218,34161,85:85.0 86:270.0 87:738.0 88:1178.0 89:212.0 90:63.0 91:27.0 93:61.0 95:28.0 97:17.0 99:358.0 100:6.0 101:755.0 102:782.0 103:880.0 104:5.0 105:2.0 106:4.0 107:8.0 108:41.0 110:57.0 115:166.0 116:508.0 117:13060.0 118:1494.0 119:761.0 120:18.0 127:16.0 129:1839.0 130:839.0 131:558.0 132:28.0 133:856.0 134:502.0 136:30.0 137:43.0 139:15.0 140:193.0 144:142.0 145:431.0 146:21.0 147:4353.0 148:710.0 149:478.0 150:146.0 163:35.0 171:59.0 174:37.0 176:7.0 180:2.0 183:8.0 184:15.0 185:15.0 187:10.0 189:407.0 190:45.0 191:1370.0 192:210.0 193:54.0 194:21.0 198:5.0 203:33.0 204:92.0 208:4.0 217:106.0 218:430.0 219:1219.0 220:314.0 221:186.0 222:39.0 227:23.0 229:5.0 233:103.0 242:5.0 245:40.0 247:15.0 249:13.0 251:6.0 260:2.0 262:8.0 267:2.0 268:5.0 278:14.0 291:366.0 292:69.0 299:23.0 309:5.0 314:3.0 336:1.0 355:1.0 376:1.0 460:6.0 465:4.0 487:2.0,C00188,6288,AYFVYJQAPQTCCC-GBXIJSLDSA-N,25691,59361,13337,12368,86840,81484,110871,126804,63628,48421,11409,18804,7510,2864,7095,42434,4368,4595,120019,4970
threonic acid,497572,292,172,86:78.0 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,JPIJQSOTBSSVTP-STHAYSLISA-N,213,283,208,230,813,739,1738,1014,443,457,306,241,2485,1808,2825,19759,1283,2167,11982,3233
threitol,467595,217,770,85:123.0 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,UNXHWFMMPAWVPI-QWWZWVQMSA-N,231,396,232,292,380,1028,602,588,580,500,310,206,4157,3520,4655,17514,4265,4412,3174,3349
taurine,558857,326,52024,85:2200.0 86:489.0 88:22.0 92:9.0 96:30.0 97:14.0 98:123.0 99:686.0 100:873.0 101:49.0 102:24.0 105:91.0 106:415.0 109:86.0 113:365.0 114:216.0 115:39.0 117:123.0 130:500.0 131:150.0 133:773.0 135:3.0 140:8.0 146:5.0 147:1357.0 148:227.0 149:49.0 151:3.0 152:28.0 160:93.0 172:167.0 174:512.0 175:74.0 182:22.0 184:6.0 186:28.0 188:360.0 225:206.0 226:5.0 227:7.0 238:89.0 248:41.0 254:2.0 325:29.0 326:937.0 327:185.0 328:190.0 329:48.0,C00245,1123,XOAAWQZATWQOTB-UHFFFAOYSA-N,426881,625842,562794,377134,42391,947902,290219,268125,970659,914140,263767,199504,257460,39439,31091,55969,46541,320009,326163,27199
tagatose,631835,307,33981,85:79.0 86:3623.0 87:140.0 88:1083.0 89:19467.0 90:3116.0 92:207.0 94:181.0 95:260.0 96:1171.0 101:4728.0 102:155.0 103:277573.0 104:24119.0 105:14099.0 106:2858.0 111:569.0 112:433.0 114:3213.0 115:2819.0 117:15123.0 118:3495.0 119:2158.0 120:1178.0 125:544.0 126:709.0 127:8754.0 128:865.0 129:17063.0 130:3195.0 131:12310.0 132:1286.0 133:28749.0 137:1064.0 138:62.0 140:835.0 141:691.0 142:5686.0 143:3736.0 145:1483.0 146:1289.0 147:52979.0 148:17727.0 149:4090.0 150:1459.0 151:2432.0 153:511.0 154:492.0 155:427.0 156:386.0 157:8012.0 158:246.0 161:2318.0 162:150.0 163:4442.0 164:152.0 165:354.0 166:481.0 171:4944.0 172:7279.0 173:6584.0 174:446.0 175:2462.0 177:1527.0 178:70.0 179:651.0 180:880.0 181:1176.0 184:1744.0 186:1529.0 187:1198.0 188:2800.0 189:16950.0 190:3163.0 191:3765.0 192:408.0 193:3520.0 195:550.0 196:515.0 198:616.0 200:1496.0 201:6619.0 202:5957.0 204:5521.0 205:13615.0 206:1258.0 207:1744.0 209:804.0 210:1198.0 214:723.0 215:150.0 216:1462.0 217:88135.0 218:20206.0 219:10901.0 221:5037.0 222:1361.0 224:1105.0 225:495.0 227:1264.0 229:943.0 230:1879.0 231:2425.0 232:1805.0 233:1003.0 234:331.0 235:485.0 237:2601.0 238:76.0 239:1135.0 240:23.0 242:568.0 244:349.0 246:511.0 247:2925.0 248:1444.0 249:260.0 250:366.0 251:663.0 253:679.0 254:1385.0 256:341.0 257:2347.0 259:144.0 260:651.0 261:518.0 262:1430.0 263:1039.0 264:675.0 265:663.0 267:6398.0 269:1026.0 270:137.0 271:2022.0 272:843.0 276:1305.0 277:8920.0 278:869.0 279:147.0 280:1203.0 282:746.0 285:82.0 286:292.0 287:328.0 289:255.0 290:728.0 291:1989.0 293:923.0 295:197.0 296:413.0 298:140.0 299:1.0 301:554.0 303:1781.0 304:1047.0 305:1160.0 306:791.0 307:25532.0 308:12516.0 309:6997.0 310:474.0 316:27.0 320:585.0 321:1499.0 322:353.0 324:388.0 325:215.0 326:813.0 328:327.0 329:680.0 330:971.0 331:719.0 334:1375.0 335:3009.0 336:1115.0 337:1098.0 338:131.0 340:245.0 342:588.0 343:17.0 344:365.0 345:307.0 347:726.0 350:91.0 355:382.0 358:1012.0 360:341.0 363:150.0 364:4439.0 365:527.0 366:885.0 371:40.0 372:28.0 374:86.0 376:340.0 378:207.0 381:269.0 383:34.0 388:130.0 390:5.0 392:8.0 393:1047.0 395:81.0 397:46.0 401:168.0 404:9.0 406:168.0 407:123.0 409:89.0 418:225.0 421:156.0 423:270.0 433:68.0 437:24.0 438:32.0 441:155.0 444:207.0 446:16.0 449:52.0 451:37.0 453:18.0 455:71.0 459:29.0 463:125.0 465:65.0 467:53.0 469:162.0 471:89.0 472:197.0 474:65.0 475:11.0 479:237.0 480:28.0 486:145.0 490:105.0 491:63.0 493:342.0 495:4.0 497:29.0 498:72.0 500:65.0,C00795,439312,LKDRXBCSQODPBY-OEXCPVAWSA-N,187,189,256,188,261,307,346,254,235,118,209,236,979,781,1003,5637,781,855,1815,665
sulfuric acid,282411,227,12266,85:304.0 87:1338.0 89:427.0 90:627.0 91:2568.0 92:299.0 93:437.0 94:219.0 95:38.0 98:17.0 100:576.0 102:801.0 103:2654.0 104:808.0 105:1171.0 106:909.0 107:6785.0 108:162.0 109:273.0 110:3976.0 114:441.0 115:1666.0 116:60.0 117:1133.0 118:2283.0 119:883.0 120:398.0 123:90.0 124:26.0 129:38.0 130:9958.0 131:5448.0 132:1296.0 133:3074.0 134:11823.0 135:2694.0 136:426.0 137:183.0 138:26.0 139:1384.0 145:21.0 147:90852.0 148:14875.0 149:7140.0 150:564.0 151:112.0 160:10.0 174:19.0 180:127.0 184:5141.0 185:668.0 186:286.0 192:24.0 199:1330.0 200:28.0 227:13526.0 228:2121.0 229:1426.0 230:131.0 249:25.0 279:20.0 369:127.0 489:9.0,C00059,1118,QAOWNCQODCNURD-UHFFFAOYSA-N,6854,144,7199,223,126,585,105,132,781,2906,189,172,5510,133,143,106,171,1724,234,174
sucrose,918352,361,47180,87:1.0 89:322.0 101:230.0 103:3302.0 104:209.0 105:117.0 109:73.0 115:96.0 116:98.0 117:967.0 118:8.0 119:15.0 129:2403.0 130:183.0 131:488.0 132:5.0 133:831.0 134:4.0 139:1.0 142:3.0 143:335.0 144:86.0 145:114.0 147:3487.0 148:500.0 149:412.0 151:14.0 157:316.0 158:40.0 159:56.0 163:54.0 169:1579.0 170:193.0 171:113.0 173:84.0 175:11.0 178:19.0 181:25.0 182:9.0 183:85.0 184:26.0 187:6.0 189:510.0 190:90.0 191:450.0 192:26.0 193:21.0 197:1.0 201:11.0 203:144.0 204:397.0 205:265.0 207:45.0 208:25.0 215:15.0 216:15.0 217:2439.0 218:676.0 219:199.0 220:20.0 221:51.0 222:28.0 229:48.0 230:145.0 231:147.0 232:7.0 234:33.0 235:13.0 238:5.0 243:656.0 244:139.0 245:121.0 246:31.0 248:14.0 254:4.0 257:180.0 259:55.0 260:4.0 263:14.0 270:16.0 271:673.0 272:136.0 273:115.0 274:30.0 291:45.0 293:13.0 294:7.0 303:13.0 304:1.0 317:25.0 319:127.0 320:46.0 321:9.0 331:3.0 332:52.0 345:9.0 346:8.0 347:31.0 360:218.0 361:2879.0 362:1157.0 363:535.0 364:90.0 368:4.0 381:5.0 436:28.0 437:237.0 438:81.0 439:77.0 451:136.0 452:78.0 453:7.0,C00089,5988,CZMRCDWAGMRECN-UGDNZRGBSA-N,1026,1845,1322,191,629,1441,845,4895,5467,840,1428,1193,179,204,524,3868,231,305,2685,178
succinic acid,370608,247,161,85:303.0 87:764.0 88:359.0 89:340.0 91:55.0 92:42.0 95:84.0 98:86.0 99:324.0 101:577.0 102:330.0 103:701.0 104:172.0 105:342.0 106:78.0 107:93.0 111:30.0 113:629.0 114:213.0 115:891.0 116:1231.0 117:1124.0 118:170.0 119:320.0 120:104.0 124:22.0 126:77.0 128:196.0 129:6064.0 130:1045.0 131:1466.0 132:345.0 133:2204.0 135:234.0 136:65.0 137:16.0 138:15.0 142:39.0 143:223.0 145:378.0 147:57887.0 148:9490.0 149:4894.0 150:507.0 151:148.0 152:18.0 153:16.0 155:36.0 156:209.0 157:342.0 158:67.0 160:64.0 161:78.0 162:53.0 163:149.0 164:28.0 170:80.0 171:91.0 172:2182.0 173:1171.0 175:368.0 176:107.0 179:22.0 181:91.0 182:18.0 183:39.0 185:50.0 186:60.0 187:85.0 188:116.0 190:87.0 191:226.0 192:23.0 193:56.0 195:64.0 196:30.0 197:56.0 198:26.0 199:30.0 200:30.0 201:196.0 203:159.0 204:37.0 206:23.0 207:41.0 211:17.0 213:36.0 215:182.0 216:174.0 217:94.0 218:309.0 219:42.0 222:28.0 226:18.0 227:23.0 228:28.0 229:19.0 230:28.0 232:16.0 238:26.0 239:16.0 241:38.0 247:3158.0 248:569.0 249:300.0 250:51.0 251:19.0 256:27.0 259:27.0 261:22.0 262:125.0 264:21.0 267:16.0 268:26.0 270:40.0 272:27.0 278:17.0 279:22.0 280:30.0 281:24.0 284:17.0 287:32.0 288:30.0 290:15.0 291:41.0 292:17.0 296:35.0 308:33.0 310:34.0 313:21.0 314:21.0 315:31.0 316:19.0 325:17.0 326:25.0 327:27.0 330:16.0 331:42.0 332:30.0 335:24.0 336:43.0 340:21.0 343:20.0 346:33.0 347:17.0 348:25.0 350:19.0 351:37.0 352:12.0 356:18.0 364:14.0 369:21.0 371:31.0 372:19.0 374:22.0 375:30.0 376:30.0 378:35.0 379:27.0 383:18.0 387:27.0 390:29.0 391:23.0 392:35.0 397:22.0 398:19.0 399:29.0 400:18.0 406:42.0 409:21.0 410:28.0 413:25.0 414:24.0 415:21.0 416:38.0 417:29.0 418:32.0 419:21.0 420:31.0 421:30.0 422:30.0 423:25.0 424:23.0 425:34.0 426:40.0 429:39.0 431:46.0 432:24.0 434:16.0 435:25.0 436:33.0 437:38.0 438:22.0 439:22.0 440:48.0 441:38.0 442:22.0 443:17.0 444:21.0 445:21.0 446:26.0 447:37.0 448:35.0 449:35.0 450:39.0 451:42.0 453:18.0 455:31.0 457:23.0 458:15.0 459:29.0 461:35.0 462:44.0 463:35.0 464:45.0 465:17.0 466:21.0 468:12.0 469:28.0 472:32.0 473:28.0 477:34.0 478:48.0 480:18.0 484:37.0 486:44.0 488:18.0 489:42.0 490:26.0 491:39.0 492:25.0 493:16.0 494:16.0 496:19.0 497:17.0 499:27.0,C00042,1110,KDYFGRWQOYBRFD-UHFFFAOYSA-N,15449,19916,12569,6589,26307,27600,59814,76139,15590,20041,4586,4879,57486,18345,27225,214377,623875,242242,17086,4783
stearic acid,787622,117,13,85:4191.0 86:1569.0 87:1271.0 88:840.0 89:3341.0 90:339.0 91:1247.0 92:198.0 93:2558.0 94:311.0 95:7043.0 96:882.0 97:6832.0 98:5171.0 99:2925.0 100:405.0 101:1507.0 102:583.0 103:508.0 104:58.0 105:3188.0 106:306.0 107:1125.0 108:164.0 109:2130.0 110:377.0 111:3168.0 112:1361.0 113:512.0 114:158.0 115:1020.0 116:7267.0 117:126653.0 118:11937.0 119:4908.0 120:246.0 121:958.0 122:149.0 123:575.0 124:147.0 125:666.0 126:415.0 127:697.0 128:532.0 129:56778.0 130:7031.0 131:18263.0 132:45805.0 133:9677.0 134:1780.0 135:885.0 136:135.0 137:217.0 138:127.0 139:357.0 140:171.0 141:299.0 142:228.0 143:4038.0 144:541.0 145:27042.0 146:3353.0 147:1102.0 149:168.0 153:150.0 154:324.0 155:367.0 156:77.0 157:1003.0 158:210.0 159:2327.0 160:316.0 161:100.0 162:21.0 163:126.0 167:179.0 168:163.0 169:39.0 170:39.0 171:1933.0 172:324.0 173:547.0 174:348.0 175:66.0 181:175.0 182:62.0 183:67.0 185:2857.0 186:450.0 187:1684.0 188:555.0 189:137.0 193:32.0 195:80.0 199:574.0 200:167.0 201:4684.0 202:727.0 203:171.0 204:30.0 205:26.0 208:27.0 209:84.0 210:132.0 211:53.0 212:21.0 213:548.0 214:123.0 215:604.0 216:130.0 217:63.0 218:32.0 219:59.0 220:41.0 223:267.0 224:47.0 226:24.0 227:613.0 228:154.0 229:217.0 230:96.0 231:37.0 235:40.0 237:91.0 239:28.0 240:27.0 241:660.0 242:183.0 243:514.0 244:216.0 246:26.0 249:19.0 255:363.0 256:97.0 257:916.0 258:226.0 259:59.0 260:25.0 261:31.0 265:29.0 267:25.0 269:151.0 270:23.0 271:336.0 272:128.0 273:38.0 277:28.0 283:144.0 284:58.0 285:135.0 286:40.0 287:36.0 297:744.0 298:287.0 299:297.0 300:86.0 301:31.0 306:25.0 309:39.0 310:41.0 311:122.0 312:95.0 313:776.0 314:252.0 315:107.0 322:14.0 325:52.0 327:116.0 331:32.0 340:708.0 341:11795.0 342:4029.0 343:984.0 344:173.0 346:19.0 356:1056.0 357:347.0 358:130.0 363:31.0 365:20.0 366:14.0 378:28.0 387:12.0 391:12.0 393:18.0 396:30.0 399:28.0 408:16.0 411:23.0 417:13.0 419:19.0 429:26.0 431:40.0 434:17.0 435:25.0 442:26.0 444:38.0 459:20.0 470:30.0 498:17.0 500:21.0,C01530,5281,QIQXTHQIDYTFRH-UHFFFAOYSA-N,446534,388952,200097,136399,1286161,713963,1229728,1033417,717335,471468,125552,166092,117409,94969,117791,635278,92730,101297,325383,102571
squalene,976237,95,23042,85:30.0 86:24.0 89:29.0 91:1210.0 92:419.0 93:2657.0 94:934.0 95:3637.0 96:426.0 97:225.0 105:675.0 106:136.0 107:1531.0 108:365.0 109:1353.0 110:180.0 111:108.0 112:7.0 115:78.0 116:94.0 117:38.0 118:27.0 119:622.0 120:164.0 121:1823.0 122:370.0 123:1104.0 124:151.0 125:39.0 128:103.0 129:12.0 131:224.0 132:45.0 133:266.0 134:264.0 135:782.0 136:1304.0 137:1202.0 138:116.0 139:4.0 140:15.0 141:17.0 142:2.0 144:84.0 145:52.0 147:168.0 148:33.0 149:745.0 150:122.0 151:59.0 152:15.0 153:16.0 154:15.0 158:4.0 159:86.0 161:201.0 162:91.0 163:152.0 164:36.0 173:54.0 175:184.0 176:20.0 177:98.0 181:2.0 186:3.0 188:10.0 189:159.0 190:55.0 191:91.0 192:101.0 193:34.0 195:2.0 198:32.0 201:11.0 203:119.0 204:97.0 205:16.0 206:1.0 207:105.0 208:16.0 215:34.0 216:11.0 217:60.0 218:30.0 219:3.0 220:13.0 223:11.0 225:3.0 227:5.0 231:54.0 234:13.0 245:6.0 248:13.0 250:13.0 251:9.0 253:20.0 256:12.0 257:24.0 261:15.0 272:10.0 273:7.0 276:2.0 290:5.0 291:4.0 292:4.0 293:1.0 294:1.0 296:6.0 308:5.0 312:2.0 316:14.0 326:4.0 328:12.0 331:2.0 338:26.0 341:25.0 343:11.0 347:16.0 353:8.0 355:22.0 356:6.0 360:22.0 361:38.0 365:2.0 366:26.0 367:7.0 368:33.0 374:3.0 378:2.0 379:9.0 380:12.0 387:3.0 388:44.0 390:6.0 394:16.0 395:40.0 402:7.0 403:8.0 404:6.0 407:3.0 411:8.0 417:4.0 419:23.0 420:16.0 429:8.0 430:17.0 432:6.0 434:6.0 443:17.0 456:7.0 457:2.0 458:10.0 461:22.0 462:5.0 465:1.0 467:14.0 472:22.0 474:22.0 477:7.0 478:10.0 479:7.0 486:12.0 487:5.0 492:13.0 496:15.0 498:22.0 499:11.0,C00751,638072,YYGNTYWPHWGJRM-AAJYLUCBSA-N,1739,3441,1790,1815,5897,6585,5402,2927,10504,3660,536,928,6889,1242,7703,9365,5351,7517,10136,6052
spermidine,792924,144,1714,86:2249.0 87:97.0 88:90.0 98:50.0 99:209.0 100:1315.0 101:269.0 102:322.0 103:48.0 112:85.0 114:376.0 115:652.0 116:3899.0 117:324.0 118:176.0 123:24.0 126:189.0 128:490.0 129:447.0 130:615.0 131:43.0 132:12.0 140:80.0 142:727.0 144:4737.0 145:505.0 146:609.0 154:339.0 155:8.0 156:1970.0 157:646.0 158:219.0 159:4.0 160:1566.0 161:106.0 162:47.0 168:3.0 170:695.0 171:46.0 172:1272.0 173:230.0 174:2750.0 175:435.0 176:137.0 183:4.0 186:220.0 188:58.0 200:279.0 201:380.0 202:18.0 214:206.0 217:55.0 243:7.0 245:56.0 255:8.0,C00315,1102,ATHGHQPFGPMSJY-UHFFFAOYSA-N,370,1163,1051,1043,18525,1180,10610,18675,3752,1268,1652,907,1963,1261,655,6797,2015,1717,1892,1185
sorbitol,667922,217,162,85:588.0 86:704.0 88:1768.0 89:8743.0 90:652.0 91:1094.0 92:168.0 93:127.0 94:89.0 97:2807.0 98:1048.0 99:1610.0 100:506.0 101:5089.0 102:848.0 103:48732.0 104:4923.0 105:2703.0 106:215.0 109:509.0 110:185.0 111:1108.0 112:146.0 113:1262.0 114:181.0 115:2342.0 116:957.0 117:28648.0 118:2694.0 119:2266.0 120:260.0 121:427.0 123:238.0 124:184.0 125:365.0 126:341.0 127:1107.0 129:20376.0 130:3176.0 131:6565.0 132:1009.0 133:14598.0 134:2015.0 135:966.0 136:167.0 137:208.0 138:235.0 139:205.0 140:167.0 141:605.0 142:358.0 143:4717.0 144:494.0 145:966.0 146:281.0 147:69563.0 148:12235.0 149:8372.0 150:559.0 151:534.0 152:185.0 153:407.0 155:923.0 156:304.0 157:13835.0 158:1728.0 159:920.0 161:501.0 162:120.0 163:999.0 164:235.0 165:86.0 166:123.0 167:268.0 168:107.0 169:761.0 170:173.0 172:59.0 173:380.0 174:229.0 175:1331.0 176:290.0 177:778.0 178:211.0 183:1324.0 184:244.0 186:387.0 187:238.0 188:87.0 189:6785.0 190:1762.0 191:6067.0 192:1019.0 193:563.0 194:164.0 195:154.0 196:204.0 197:95.0 198:56.0 200:106.0 201:445.0 202:197.0 203:793.0 204:6829.0 205:30832.0 206:5855.0 207:3196.0 208:471.0 209:153.0 210:40.0 211:37.0 212:28.0 213:336.0 214:403.0 215:418.0 216:171.0 217:30221.0 218:6026.0 219:2710.0 220:460.0 221:1707.0 222:417.0 223:241.0 224:82.0 225:94.0 226:83.0 227:1058.0 228:409.0 229:3000.0 230:905.0 231:2575.0 232:620.0 233:270.0 234:69.0 235:69.0 236:62.0 237:122.0 239:317.0 240:318.0 241:178.0 242:316.0 243:412.0 244:135.0 245:133.0 246:126.0 247:218.0 248:85.0 249:75.0 250:64.0 251:63.0 253:67.0 254:72.0 255:1017.0 256:263.0 257:354.0 258:82.0 259:521.0 260:163.0 261:126.0 262:65.0 263:70.0 264:61.0 265:325.0 266:101.0 267:63.0 268:50.0 269:86.0 271:111.0 273:195.0 275:61.0 276:70.0 277:1234.0 278:623.0 279:305.0 280:104.0 281:69.0 282:43.0 283:21.0 284:36.0 285:18.0 286:35.0 287:39.0 288:63.0 289:50.0 290:54.0 291:1018.0 292:374.0 293:163.0 294:88.0 295:48.0 300:16.0 301:31.0 302:19.0 303:47.0 304:49.0 305:1109.0 306:642.0 307:4062.0 308:1131.0 309:560.0 310:90.0 311:52.0 312:25.0 313:36.0 314:39.0 315:42.0 316:32.0 317:107.0 318:352.0 319:18662.0 320:5651.0 321:2474.0 322:481.0 323:149.0 324:44.0 325:19.0 327:22.0 328:35.0 329:112.0 330:62.0 331:1172.0 332:446.0 333:431.0 334:116.0 335:81.0 337:43.0 338:30.0 342:26.0 343:33.0 344:64.0 345:683.0 346:270.0 347:141.0 348:36.0 349:61.0 350:40.0 351:40.0 352:42.0 353:41.0 354:21.0 355:31.0 356:24.0 358:32.0 359:31.0 360:25.0 361:33.0 362:47.0 363:23.0 365:32.0 366:38.0 367:33.0 368:20.0 369:26.0 372:27.0 374:26.0 376:42.0 377:27.0 378:58.0 379:23.0 381:23.0 382:13.0 383:32.0 385:21.0 387:30.0 389:27.0 391:39.0 392:28.0 393:33.0 394:29.0 395:44.0 396:29.0 398:19.0 399:43.0 401:22.0 402:26.0 404:42.0 405:26.0 406:45.0 407:36.0 408:28.0 409:106.0 410:66.0 411:21.0 416:34.0 418:29.0 419:206.0 420:150.0 421:397.0 422:176.0 423:87.0 424:32.0 425:25.0 426:23.0 427:35.0 428:32.0 429:32.0 430:32.0 431:47.0 432:21.0 433:16.0 434:77.0 435:32.0 439:50.0 440:28.0 441:33.0 442:17.0 447:26.0 448:30.0 450:31.0 451:24.0 452:26.0 453:37.0 455:23.0 456:21.0 457:23.0 458:30.0 459:25.0 462:51.0 465:23.0 467:30.0 468:36.0 469:35.0 470:39.0 473:19.0 474:32.0 475:34.0 476:25.0 477:35.0 478:30.0 479:47.0 480:38.0 481:46.0 483:17.0 484:30.0 485:41.0 486:40.0 487:20.0 489:45.0 491:46.0 496:29.0 497:32.0 498:13.0 500:18.0,C00794,5780,FBPFZTCFMRRESA-JGWLITMVSA-N,2071,6335,608,1594,770,449,9712,1503,2136,2101,985,896,42076,26360,38220,203337,31571,34916,256863,220858
sinapinic acid,788416,338,3181,85:149.0 86:82.0 88:11.0 89:1714.0 90:180.0 91:795.0 92:279.0 95:109.0 96:25.0 97:76.0 98:125.0 99:254.0 100:79.0 102:188.0 103:397.0 104:203.0 105:264.0 106:126.0 108:57.0 109:148.0 111:161.0 113:90.0 114:48.0 115:608.0 116:321.0 117:1024.0 118:36.0 119:866.0 120:415.0 121:184.0 122:33.0 124:61.0 128:148.0 130:314.0 131:511.0 132:760.0 133:614.0 134:157.0 135:828.0 136:157.0 137:119.0 138:20.0 139:6.0 140:3.0 142:2.0 143:112.0 144:118.0 145:258.0 146:45.0 149:160.0 150:64.0 151:168.0 152:2.0 153:54.0 154:240.0 155:27.0 157:98.0 158:3.0 159:84.0 160:267.0 161:712.0 162:525.0 163:526.0 164:71.0 165:60.0 166:83.0 167:81.0 169:596.0 170:73.0 172:6.0 173:184.0 174:134.0 175:1136.0 176:437.0 177:1234.0 178:375.0 179:245.0 180:40.0 181:33.0 183:4.0 184:43.0 185:6.0 186:21.0 187:103.0 188:99.0 189:195.0 190:528.0 191:651.0 192:201.0 193:168.0 194:67.0 195:39.0 196:63.0 197:37.0 199:41.0 201:117.0 202:43.0 203:428.0 204:452.0 205:807.0 206:716.0 207:204.0 208:121.0 209:725.0 210:131.0 211:15.0 212:26.0 215:28.0 216:7.0 217:61.0 218:830.0 219:834.0 220:815.0 221:443.0 222:502.0 223:77.0 224:74.0 225:22.0 227:11.0 231:61.0 232:110.0 233:271.0 234:368.0 235:242.0 236:137.0 237:15.0 239:90.0 240:24.0 242:11.0 244:19.0 247:228.0 248:359.0 249:1730.0 250:372.0 251:197.0 252:71.0 256:8.0 258:3.0 261:13.0 262:52.0 263:253.0 264:274.0 265:53.0 266:99.0 267:18.0 273:3.0 277:65.0 278:72.0 279:1560.0 280:420.0 281:162.0 282:13.0 284:24.0 291:44.0 292:2.0 293:135.0 294:114.0 295:38.0 296:3.0 304:2.0 305:11.0 307:40.0 308:11.0 309:202.0 310:117.0 311:48.0 312:31.0 313:15.0 314:18.0 317:12.0 323:2075.0 324:791.0 325:234.0 326:25.0 327:77.0 330:74.0 332:1.0 333:2.0 335:25.0 337:94.0 338:5122.0 339:1843.0 340:798.0 341:41.0 342:10.0 345:17.0 346:3.0 347:39.0 349:11.0 352:15.0 353:2353.0 354:800.0 355:288.0 356:69.0 357:29.0 360:15.0 361:22.0 362:10.0 367:101.0 368:3422.0 369:958.0 370:419.0 371:33.0 372:53.0 373:4.0 375:15.0 390:6.0 394:32.0 400:37.0 405:22.0 422:47.0 439:13.0 459:26.0 468:6.0 480:16.0 487:2.0 494:6.0,C20448,80642,PCSKKIUURRTAEM-UHFFFAOYSA-N,169,299,160,178,913,343,1055,725,595,325,310,203,987,682,399,19275,4665,4448,3834,1171
shikimic acid,611100,204,286,85:149.0 87:51.0 89:152.0 90:30.0 91:290.0 92:189.0 93:498.0 94:99.0 95:323.0 96:150.0 97:191.0 98:58.0 99:248.0 100:45.0 101:676.0 103:796.0 104:122.0 105:435.0 107:157.0 108:97.0 109:114.0 111:293.0 112:57.0 113:62.0 114:60.0 115:150.0 116:435.0 117:504.0 118:76.0 119:240.0 121:261.0 122:62.0 123:242.0 125:205.0 126:81.0 128:58.0 131:777.0 132:71.0 133:2652.0 134:351.0 135:280.0 137:3.0 138:27.0 139:53.0 141:337.0 143:44.0 145:48.0 147:8875.0 148:1647.0 149:602.0 150:80.0 151:285.0 152:59.0 153:181.0 155:91.0 156:46.0 157:116.0 158:43.0 159:33.0 160:9.0 161:39.0 162:32.0 163:116.0 165:215.0 166:127.0 167:599.0 168:106.0 169:196.0 171:62.0 172:26.0 173:54.0 175:61.0 176:31.0 177:163.0 178:60.0 179:111.0 180:223.0 181:366.0 182:162.0 183:142.0 184:73.0 186:26.0 187:56.0 188:14.0 189:1393.0 190:353.0 191:657.0 192:158.0 193:561.0 194:120.0 195:371.0 196:78.0 197:95.0 199:52.0 200:56.0 204:20604.0 205:3409.0 206:1363.0 207:196.0 208:27.0 209:125.0 210:59.0 211:53.0 212:47.0 213:51.0 215:124.0 217:149.0 218:42.0 219:28.0 220:23.0 221:162.0 222:35.0 223:167.0 224:85.0 225:38.0 226:40.0 227:71.0 229:99.0 230:56.0 232:85.0 233:38.0 237:43.0 238:16.0 239:162.0 240:71.0 241:129.0 242:44.0 243:201.0 244:85.0 245:41.0 246:36.0 248:17.0 249:33.0 250:52.0 252:28.0 253:109.0 254:579.0 255:795.0 256:284.0 257:155.0 258:109.0 262:12.0 263:19.0 265:72.0 267:229.0 268:23.0 269:104.0 270:32.0 272:15.0 275:20.0 282:267.0 283:96.0 284:22.0 289:22.0 291:13.0 292:19.0 298:15.0 299:19.0 305:86.0 308:32.0 311:24.0 312:51.0 316:31.0 329:60.0 330:51.0 331:125.0 332:60.0 340:27.0 341:50.0 343:58.0 345:14.0 346:10.0 347:37.0 348:32.0 351:22.0 354:19.0 355:35.0 356:128.0 357:362.0 358:136.0 359:57.0 360:40.0 364:33.0 367:38.0 368:17.0 371:10.0 372:281.0 373:92.0 378:26.0 381:14.0 383:16.0 385:25.0 387:24.0 389:37.0 391:28.0 393:37.0 395:36.0 398:28.0 407:42.0 408:17.0 410:25.0 414:12.0 415:21.0 417:30.0 429:38.0 432:29.0 440:39.0 447:51.0 448:61.0 455:24.0 460:14.0 461:45.0 462:15.0 463:59.0 466:23.0 484:22.0 486:34.0 491:36.0 495:17.0 500:20.0,C00493,8742,JXOHGGNKMLTUBP-HSUXUTPPSA-N,736,1192,441,535,3516,1788,2312,3647,3685,1592,493,494,5177,3189,3525,33201,1308,2938,18886,5350
serine,395020,218,25,85:536.0 86:1604.0 87:945.0 88:1874.0 89:1384.0 90:199.0 91:148.0 95:84.0 97:103.0 98:189.0 99:283.0 100:23226.0 101:3557.0 102:1780.0 103:3612.0 104:267.0 105:217.0 109:46.0 110:192.0 112:43.0 113:186.0 114:2146.0 115:2068.0 116:7090.0 117:3142.0 118:630.0 119:872.0 120:104.0 122:24.0 125:17.0 128:249.0 129:255.0 130:1752.0 131:2506.0 132:2800.0 133:5975.0 134:1177.0 135:499.0 141:90.0 142:206.0 143:121.0 144:668.0 145:32.0 146:414.0 147:14531.0 148:2504.0 149:1227.0 150:126.0 157:40.0 158:390.0 159:310.0 160:296.0 161:122.0 162:43.0 163:590.0 164:121.0 165:70.0 166:84.0 169:7.0 172:402.0 173:143.0 174:860.0 175:147.0 184:25.0 185:40.0 187:24.0 188:5324.0 189:1923.0 190:881.0 191:276.0 195:12.0 197:63.0 202:45.0 203:554.0 204:28685.0 205:5213.0 206:2037.0 207:190.0 208:13.0 216:814.0 217:197.0 218:15869.0 219:2802.0 220:1080.0 221:283.0 222:88.0 231:55.0 242:14.0 246:39.0 263:14.0 265:31.0 267:39.0 278:1032.0 279:303.0 280:81.0 306:362.0 307:69.0 308:81.0 310:24.0 315:34.0 329:13.0 359:32.0 360:29.0 441:16.0 450:22.0 451:17.0 489:25.0 490:9.0 492:26.0 494:28.0 498:18.0 500:20.0,C00065,5951,MTCFGRXMJLQNBG-REOHCLBHSA-N,22466,47527,4336,5968,122158,71384,107671,126126,48140,39854,5100,13789,7024,3299,7109,71772,6078,4028,74665,960
saccharopine,858549,357,17264,85:336.0 91:56.0 94:299.0 95:5.0 99:270.0 100:970.0 102:193.0 103:704.0 110:25.0 112:161.0 114:215.0 115:518.0 116:222.0 118:7.0 120:67.0 122:343.0 123:51.0 124:41.0 128:524.0 129:268.0 132:90.0 134:108.0 135:90.0 140:234.0 142:489.0 144:106.0 145:105.0 147:334.0 148:502.0 152:4.0 154:168.0 155:462.0 156:3076.0 157:678.0 158:271.0 159:1237.0 160:34.0 164:3.0 165:48.0 167:69.0 168:712.0 169:415.0 170:264.0 171:106.0 172:71.0 173:13.0 175:12.0 178:64.0 181:23.0 182:23.0 183:43.0 184:144.0 185:54.0 186:21.0 188:33.0 191:56.0 198:29.0 199:88.0 200:9.0 203:116.0 204:1183.0 205:357.0 206:153.0 207:160.0 208:23.0 209:38.0 214:21.0 215:58.0 216:42.0 217:937.0 218:340.0 220:47.0 222:11.0 224:35.0 229:105.0 230:155.0 231:98.0 232:118.0 233:9.0 234:13.0 235:10.0 236:5.0 238:36.0 240:1109.0 241:190.0 242:53.0 243:148.0 245:101.0 247:217.0 248:40.0 249:38.0 250:8.0 251:95.0 259:224.0 260:67.0 261:16.0 262:1.0 265:12.0 266:5.0 267:751.0 268:147.0 271:2.0 272:17.0 273:27.0 274:902.0 275:177.0 276:86.0 277:7.0 278:6.0 281:184.0 282:135.0 283:35.0 285:62.0 288:35.0 290:4.0 295:33.0 296:11.0 297:20.0 298:21.0 300:2.0 304:10.0 306:1.0 309:19.0 314:95.0 315:61.0 319:161.0 321:19.0 322:6.0 323:26.0 324:2.0 325:112.0 329:39.0 330:20.0 332:16.0 333:20.0 335:20.0 337:1.0 340:7.0 341:290.0 342:2.0 345:12.0 346:2.0 347:3.0 348:43.0 349:48.0 350:31.0 355:44.0 356:46.0 357:3033.0 358:742.0 359:307.0 360:20.0 361:57.0 362:25.0 367:26.0 370:1.0 372:7.0 374:2.0 375:26.0 377:1.0 380:6.0 384:13.0 386:8.0 387:33.0 392:1.0 393:9.0 396:4.0 399:9.0 401:96.0 402:39.0 403:5.0 404:2.0 412:4.0 426:3.0 430:1.0 431:7.0 432:52.0 433:10.0 435:7.0 437:1.0 444:2.0 445:11.0 456:4.0 459:34.0 460:15.0 461:17.0 463:7.0 464:53.0 465:3.0 472:15.0 474:15.0 489:5.0 491:3.0 492:7.0 494:1.0 499:2.0,C00449,160556,ZDGJAHTZVHVLOT-YUMQZZPRSA-N,277,415,337,287,725,407,931,675,474,313,252,200,274,257,236,2134,269,238,680,308
saccharic acid,699211,333,11214,85:376.0 86:223.0 87:56.0 89:377.0 90:30.0 91:59.0 93:137.0 94:112.0 95:140.0 99:663.0 100:177.0 101:426.0 102:1251.0 103:1710.0 104:173.0 105:104.0 106:11.0 108:89.0 110:106.0 111:181.0 112:63.0 113:312.0 114:10.0 115:253.0 116:35.0 117:1458.0 118:146.0 119:195.0 121:344.0 123:7.0 124:91.0 127:309.0 129:1394.0 130:600.0 131:1538.0 132:485.0 133:2043.0 134:499.0 135:122.0 138:17.0 139:23.0 140:81.0 141:149.0 143:3044.0 144:276.0 145:316.0 147:11913.0 148:1649.0 149:1383.0 150:224.0 151:65.0 152:26.0 155:42.0 156:105.0 157:300.0 158:37.0 159:125.0 160:188.0 161:43.0 163:36.0 168:44.0 169:105.0 171:1107.0 172:153.0 173:90.0 174:26.0 175:161.0 177:3.0 180:1.0 183:72.0 184:26.0 185:92.0 186:24.0 187:193.0 188:27.0 189:1990.0 190:418.0 191:701.0 192:53.0 196:40.0 198:32.0 199:106.0 201:154.0 203:24.0 205:736.0 206:83.0 207:329.0 208:19.0 211:75.0 212:45.0 213:56.0 214:86.0 215:292.0 216:80.0 217:2408.0 218:847.0 219:1061.0 220:53.0 221:1019.0 222:256.0 223:112.0 224:40.0 227:3.0 228:3.0 229:239.0 230:141.0 231:207.0 232:73.0 239:38.0 242:14.0 243:379.0 244:114.0 245:240.0 246:57.0 247:60.0 257:108.0 258:39.0 259:50.0 261:87.0 263:38.0 266:37.0 267:20.0 268:1.0 271:9.0 272:50.0 273:98.0 274:14.0 275:29.0 276:38.0 277:842.0 278:211.0 279:96.0 280:2.0 282:78.0 285:21.0 287:6.0 288:3.0 291:300.0 292:3043.0 293:825.0 294:462.0 295:47.0 300:2.0 304:31.0 305:1342.0 306:460.0 307:289.0 308:56.0 313:131.0 314:8.0 315:54.0 318:13.0 319:163.0 320:67.0 321:108.0 323:35.0 324:1.0 325:5.0 326:13.0 330:11.0 331:20.0 332:148.0 333:7260.0 334:2452.0 335:1196.0 336:220.0 337:32.0 338:1.0 342:134.0 343:16.0 345:219.0 346:57.0 347:24.0 353:14.0 354:30.0 356:31.0 357:5.0 358:38.0 359:37.0 360:19.0 367:7.0 370:42.0 371:36.0 373:358.0 374:113.0 375:90.0 376:6.0 377:14.0 379:65.0 380:40.0 392:11.0 393:334.0 394:58.0 395:41.0 404:12.0 407:2.0 408:23.0 411:87.0 416:36.0 419:206.0 420:34.0 423:301.0 424:157.0 425:112.0 426:5.0 431:11.0 435:177.0 436:26.0 437:5.0 444:186.0 445:129.0 446:53.0 447:162.0 448:83.0 449:81.0 459:92.0 461:5.0 463:20.0 465:3.0 475:10.0 495:18.0,C00818,33037,DSLZVSRJTYRBFB-LLEIAEIESA-N,218,350,191,171,555,371,566,605,349,401,215,214,5097,4681,8116,73105,5359,6617,28495,7878
ribose,553135,217,1662,85:8071.0 86:9472.0 87:11706.0 88:7002.0 89:91105.0 90:8121.0 91:4369.0 92:716.0 93:150.0 94:1908.0 95:1008.0 96:977.0 97:1171.0 98:3992.0 99:8420.0 100:38767.0 101:35431.0 102:21246.0 103:1062555.0 104:101843.0 105:73545.0 106:4592.0 107:540.0 108:433.0 109:560.0 110:342.0 111:3649.0 112:4750.0 113:10117.0 114:23592.0 115:17668.0 116:13805.0 117:109230.0 118:11975.0 119:17425.0 120:1771.0 121:1068.0 122:264.0 123:223.0 124:490.0 125:776.0 126:5174.0 127:6186.0 128:8002.0 129:97814.0 130:22694.0 131:49810.0 132:9013.0 133:126184.0 134:16740.0 135:11510.0 136:1035.0 137:500.0 138:344.0 139:493.0 140:3254.0 141:3357.0 142:9748.0 143:22182.0 144:4227.0 145:17074.0 146:3198.0 147:375117.0 148:57262.0 149:40239.0 150:4364.0 151:3292.0 152:1340.0 153:638.0 154:1442.0 155:901.0 156:2535.0 157:6798.0 158:14162.0 159:5779.0 160:88878.0 161:22083.0 162:5650.0 163:18841.0 164:2923.0 165:1841.0 166:742.0 167:788.0 168:8599.0 169:3141.0 170:3149.0 171:1006.0 172:5705.0 173:8342.0 174:13824.0 175:13239.0 176:2858.0 177:4854.0 178:983.0 179:658.0 180:226.0 181:294.0 182:780.0 183:469.0 184:1475.0 185:1038.0 186:2184.0 187:1389.0 188:1498.0 189:153465.0 190:31254.0 191:45785.0 192:7932.0 193:3678.0 194:628.0 195:210.0 196:224.0 197:244.0 198:6099.0 199:1204.0 200:4140.0 201:7215.0 202:2512.0 203:5654.0 204:34320.0 205:40466.0 206:9207.0 207:7314.0 208:1426.0 209:633.0 210:149.0 212:74.0 213:144.0 214:1492.0 215:2974.0 216:12410.0 217:452771.0 218:98512.0 219:44043.0 220:7266.0 221:9298.0 222:2680.0 223:805.0 224:547.0 226:505.0 227:230.0 228:2641.0 229:1503.0 230:2441.0 231:8395.0 232:5639.0 233:28087.0 234:10537.0 235:3493.0 236:765.0 237:380.0 238:138.0 239:4.0 240:1827.0 241:924.0 242:4523.0 243:2187.0 244:1605.0 245:628.0 246:2106.0 247:655.0 248:3408.0 249:755.0 250:373.0 251:248.0 252:219.0 253:185.0 254:241.0 255:331.0 256:3267.0 257:3399.0 258:1663.0 259:853.0 260:650.0 261:564.0 262:10720.0 263:3160.0 264:1409.0 265:884.0 266:337.0 267:347.0 268:197.0 269:249.0 270:271.0 271:264.0 272:2570.0 273:753.0 274:5826.0 275:1595.0 276:872.0 277:34584.0 278:10808.0 279:5827.0 280:1564.0 281:536.0 282:286.0 283:236.0 284:153.0 285:130.0 286:34.0 287:39.0 288:2420.0 289:726.0 290:801.0 291:3553.0 292:1079.0 293:635.0 294:186.0 295:68.0 296:25.0 298:31.0 299:4.0 301:86.0 302:522.0 303:229.0 304:371.0 305:2483.0 306:1911.0 307:136807.0 308:40304.0 309:20680.0 310:4279.0 311:1105.0 312:81.0 313:167.0 314:138.0 315:217.0 316:1467.0 317:526.0 318:724.0 319:1128.0 320:646.0 321:177.0 322:41.0 323:45.0 324:4.0 325:3.0 327:13.0 328:21.0 329:21.0 330:1832.0 331:2180.0 332:1221.0 333:603.0 334:141.0 335:15.0 336:43.0 337:24.0 339:27.0 341:17.0 342:10.0 344:19.0 345:27.0 346:252.0 347:21.0 348:14.0 349:18.0 353:35.0 354:19.0 360:8.0 361:25.0 362:2533.0 363:773.0 364:819.0 365:175.0 366:38.0 368:5.0 370:3.0 371:16.0 372:20.0 377:11.0 378:69.0 380:30.0 385:1.0 387:4.0 388:5.0 394:9.0 399:4.0 401:21.0 404:25.0 407:2.0 409:12.0 417:25.0 419:11.0 420:205.0 421:262.0 422:114.0 423:89.0 435:2.0 436:43.0 437:30.0 438:8.0 439:26.0 446:14.0 452:522.0 453:195.0 454:33.0 455:22.0 460:12.0 465:1.0 466:36.0 467:703.0 468:366.0 469:175.0 470:52.0 471:3.0 472:23.0 481:14.0 483:34.0 489:11.0 500:1.0,C00121,5779,HMFHBZSHGGEWLO-SOOFDHNKSA-N,10033,16264,7301,14461,124200,59403,132153,160280,40846,12517,5598,8444,3702,3412,4210,18865,3861,4147,15338,6116
ribonic acid,597646,292,84543,86:34.0 87:189.0 88:350.0 89:1206.0 93:89.0 97:163.0 99:271.0 101:1055.0 102:1149.0 103:14449.0 104:1343.0 105:510.0 111:142.0 113:391.0 114:65.0 115:244.0 116:292.0 117:4183.0 118:357.0 119:78.0 125:85.0 129:1808.0 130:1437.0 131:1358.0 132:316.0 133:4108.0 134:646.0 135:379.0 141:281.0 142:49.0 143:1809.0 144:219.0 145:92.0 147:15767.0 148:2552.0 149:1820.0 150:145.0 151:61.0 157:484.0 159:32.0 161:10.0 163:23.0 169:25.0 170:30.0 173:26.0 175:356.0 176:76.0 177:116.0 178:27.0 185:120.0 187:38.0 189:2428.0 190:352.0 191:906.0 192:80.0 193:89.0 194:28.0 198:15.0 201:107.0 203:52.0 204:1478.0 205:1536.0 206:430.0 207:527.0 208:79.0 209:67.0 213:47.0 214:37.0 215:139.0 216:37.0 217:6180.0 218:1237.0 219:846.0 220:195.0 221:756.0 222:185.0 223:103.0 224:26.0 229:102.0 230:37.0 231:118.0 232:57.0 233:49.0 245:11.0 246:35.0 252:17.0 257:359.0 258:107.0 259:19.0 262:13.0 263:31.0 266:90.0 267:31.0 276:8.0 277:441.0 278:178.0 279:107.0 280:13.0 289:32.0 290:12.0 291:188.0 292:4938.0 293:1422.0 294:700.0 295:175.0 296:14.0 303:73.0 305:792.0 306:277.0 307:714.0 308:242.0 309:84.0 317:13.0 319:63.0 320:41.0 331:186.0 332:87.0 333:1015.0 334:203.0 335:172.0 348:36.0 349:17.0 379:32.0 380:6.0 393:47.0 394:7.0 421:17.0 422:28.0 424:39.0 470:24.0,C01685,5460677,QXKAIJAYHKCRRA-BXXZVTAOSA-N,579,629,490,487,995,1138,3444,1321,951,967,455,393,18230,21452,22589,152843,17898,19735,46885,16689
ribitol,575497,217,7362,85:248.0 86:43.0 87:65.0 88:62.0 89:897.0 90:98.0 92:20.0 95:22.0 99:113.0 100:224.0 101:774.0 102:28.0 103:6316.0 104:624.0 105:415.0 107:35.0 109:433.0 110:374.0 111:71.0 112:1.0 113:273.0 114:80.0 115:19.0 116:274.0 117:7478.0 118:701.0 119:297.0 126:2.0 128:44.0 129:3713.0 130:874.0 131:1633.0 132:149.0 133:1838.0 134:180.0 135:129.0 136:1.0 140:1.0 142:152.0 143:478.0 145:98.0 146:11.0 147:7935.0 148:1218.0 149:625.0 154:14.0 155:280.0 156:23.0 157:910.0 158:67.0 159:46.0 160:682.0 161:214.0 163:96.0 168:28.0 170:214.0 171:249.0 172:78.0 175:33.0 177:60.0 184:254.0 186:170.0 187:30.0 188:1.0 189:1390.0 190:239.0 191:807.0 192:173.0 199:50.0 201:192.0 203:352.0 204:1100.0 205:2227.0 206:389.0 207:148.0 211:6.0 216:1.0 217:5564.0 218:1297.0 219:501.0 220:120.0 221:136.0 223:16.0 224:117.0 228:1.0 229:104.0 230:12.0 231:45.0 233:16.0 234:26.0 239:7.0 243:251.0 244:59.0 245:4.0 246:1.0 251:165.0 277:387.0 278:34.0 279:2.0 297:7.0 299:30.0 302:17.0 305:61.0 307:471.0 308:88.0 309:19.0 317:81.0 319:760.0 320:194.0 321:144.0 322:1.0 332:138.0 349:39.0,C00474,827,HEBKCHPVOIAQTA-ZXFHETKHSA-N,492,854,406,596,2673,2040,2836,2385,1268,1075,380,406,657,907,931,5623,1010,1003,10415,4377
raffinose,1120886,361,3190,85:33.0 86:57.0 89:118.0 97:9.0 99:119.0 101:141.0 103:2918.0 104:200.0 109:167.0 113:29.0 115:39.0 116:161.0 117:590.0 119:118.0 127:20.0 129:3784.0 130:442.0 131:389.0 132:40.0 133:755.0 139:34.0 141:95.0 142:74.0 143:448.0 144:16.0 145:42.0 147:2732.0 148:202.0 149:232.0 150:2.0 153:60.0 155:407.0 156:35.0 157:463.0 158:48.0 159:18.0 161:17.0 162:10.0 163:129.0 169:2550.0 170:335.0 171:169.0 173:16.0 175:16.0 176:9.0 177:47.0 183:139.0 187:22.0 189:460.0 190:124.0 191:1240.0 192:156.0 193:279.0 199:126.0 201:69.0 203:142.0 204:2972.0 205:718.0 206:169.0 207:660.0 208:195.0 209:20.0 215:119.0 216:26.0 217:3764.0 218:881.0 219:323.0 220:12.0 221:196.0 222:14.0 229:132.0 230:216.0 231:139.0 232:98.0 243:746.0 244:120.0 245:188.0 246:21.0 251:50.0 252:38.0 257:109.0 259:33.0 267:57.0 269:3.0 271:759.0 272:96.0 273:117.0 275:14.0 281:115.0 283:60.0 289:15.0 291:66.0 293:16.0 294:7.0 305:51.0 313:9.0 317:6.0 319:155.0 320:74.0 322:1.0 325:10.0 327:112.0 331:56.0 333:31.0 341:47.0 345:9.0 355:13.0 361:3329.0 362:1057.0 363:522.0 364:42.0 433:5.0 437:412.0 438:132.0 439:69.0 451:206.0 452:56.0 453:36.0 489:9.0,C00492,439242,MUPFEKGTMRGPLJ-ZQSKZDJDSA-N,472,261,326,479,1092,2513,1008,680,3523,7742,512,548,593,636,1185,3503,952,1127,710271,1754
quinic acid,634900,345,4523,87:107.0 91:114.0 92:3.0 93:26.0 99:91.0 100:4.0 106:51.0 108:3.0 112:77.0 115:536.0 119:77.0 120:17.0 121:29.0 123:21.0 124:12.0 125:18.0 126:140.0 127:330.0 130:94.0 131:533.0 132:2.0 133:745.0 134:431.0 136:13.0 137:5.0 138:6.0 139:136.0 141:559.0 143:468.0 147:4537.0 148:790.0 149:692.0 150:49.0 151:189.0 154:24.0 157:65.0 158:6.0 161:36.0 165:9.0 167:239.0 168:114.0 169:34.0 176:73.0 181:98.0 183:277.0 185:90.0 186:82.0 187:46.0 189:19.0 191:109.0 192:194.0 193:148.0 194:90.0 195:94.0 196:19.0 197:14.0 198:23.0 199:91.0 200:29.0 204:670.0 205:263.0 208:5.0 210:18.0 212:13.0 213:17.0 214:9.0 215:89.0 216:98.0 221:115.0 222:22.0 223:19.0 224:9.0 225:10.0 227:16.0 228:10.0 236:1.0 237:15.0 238:1.0 239:582.0 240:112.0 241:88.0 242:45.0 243:272.0 244:220.0 250:7.0 254:22.0 255:2804.0 256:684.0 257:526.0 258:18.0 260:23.0 262:36.0 263:2.0 264:15.0 265:22.0 266:10.0 267:62.0 270:12.0 275:9.0 276:20.0 278:2.0 279:24.0 283:128.0 284:18.0 287:26.0 288:13.0 290:9.0 294:12.0 302:72.0 305:58.0 309:23.0 313:147.0 316:6.0 318:12.0 320:49.0 322:19.0 329:45.0 331:15.0 332:15.0 333:87.0 334:283.0 335:35.0 336:6.0 337:24.0 338:4.0 344:108.0 345:3653.0 346:1453.0 347:668.0 348:56.0 351:6.0 357:9.0 359:37.0 361:11.0 365:10.0 371:1.0 372:134.0 373:63.0 374:28.0 377:1.0 383:8.0 395:8.0 407:1.0 417:4.0 418:6.0 419:187.0 420:103.0 435:130.0 436:1.0 437:23.0 438:4.0 439:13.0 447:19.0 454:8.0 470:4.0 476:13.0 496:1.0,C00296,6508,AAWZDTNXLSGCEK-LNVDRNJUSA-N,172,238,180,247,243,296,273,306,362,170,187,179,5334,2752,5456,39681,4177,4812,11960,3568
pyruvic acid,213805,174,5864,86:84.0 89:7609.0 90:671.0 91:90.0 98:6.0 99:2390.0 100:1953.0 101:104.0 110:81.0 114:306.0 115:3591.0 116:333.0 117:2148.0 118:94.0 130:355.0 136:66.0 143:134.0 144:3.0 148:23.0 158:709.0 159:180.0 160:5.0 173:5.0 174:9542.0 175:1130.0 176:403.0 184:60.0 189:139.0 191:166.0 199:33.0 208:6.0 209:2.0 210:1.0 228:22.0 247:1.0 251:9.0 296:2.0 297:1.0 318:6.0 322:9.0 425:10.0,C00022,1060,LCTONWCANYUPML-UHFFFAOYSA-N,316,865,640,1325,1421,1261,920,1608,3163,220,1132,364,1079,696,1147,1422,1145,898,1426,1113
pyrrole-2-carboxylic acid,394886,240,483,85:197.0 86:123.0 87:373.0 88:254.0 92:277.0 93:53.0 94:332.0 96:322.0 98:159.0 99:30.0 101:198.0 102:209.0 105:114.0 106:250.0 107:47.0 108:1034.0 109:208.0 110:50.0 111:112.0 113:272.0 114:245.0 117:297.0 118:440.0 119:305.0 120:140.0 121:17.0 122:88.0 123:107.0 124:325.0 125:87.0 126:128.0 128:224.0 131:462.0 132:437.0 134:339.0 135:95.0 136:231.0 137:168.0 142:216.0 143:18.0 144:112.0 145:145.0 146:176.0 147:4708.0 148:1104.0 149:844.0 150:282.0 151:73.0 152:583.0 153:101.0 154:123.0 155:66.0 156:114.0 157:56.0 160:297.0 161:113.0 162:97.0 163:436.0 164:159.0 165:141.0 166:2098.0 167:656.0 168:212.0 170:56.0 173:136.0 175:166.0 176:165.0 179:16.0 180:158.0 181:46.0 183:114.0 184:101.0 185:40.0 189:386.0 192:91.0 193:66.0 194:34.0 195:24.0 196:361.0 197:109.0 198:319.0 199:99.0 200:57.0 201:27.0 203:145.0 206:871.0 208:90.0 209:52.0 210:64.0 214:32.0 219:377.0 220:178.0 221:116.0 223:42.0 226:29.0 233:54.0 235:28.0 237:20.0 238:63.0 239:46.0 240:3249.0 241:688.0 242:304.0 243:72.0 244:73.0 247:27.0 251:32.0 253:7.0 254:178.0 255:363.0 256:119.0 262:27.0 278:58.0 280:114.0 300:33.0 306:47.0 308:77.0 309:14.0 316:28.0 324:30.0 334:22.0 341:8.0 345:21.0 353:21.0 379:18.0 384:25.0 387:21.0 388:16.0 391:29.0 393:35.0 399:20.0 403:30.0 411:36.0 413:22.0 423:32.0 428:26.0 429:25.0 437:37.0 438:9.0 439:30.0 442:32.0 446:43.0 449:25.0 453:30.0 462:6.0 466:36.0 468:40.0 473:14.0 474:24.0 476:26.0 481:44.0 484:34.0 485:15.0 487:14.0 488:41.0 489:30.0 491:43.0 492:8.0 493:28.0,C05942,12473,WRHZVMBBRYBTKZ-UHFFFAOYSA-N,338,599,328,358,1252,619,2827,1395,751,598,298,327,855,484,1326,9412,755,724,2309,649
pyrogallol,495011,239,26714,85:498.0 86:16526.0 87:2107.0 88:2473.0 89:795.0 90:285.0 91:2432.0 92:200.0 93:3235.0 95:1451.0 99:58.0 100:9299.0 101:2275.0 102:1668.0 103:3305.0 104:586.0 105:2226.0 106:279.0 107:2233.0 108:434.0 109:189.0 110:2555.0 112:1324.0 113:612.0 114:3010.0 115:213.0 116:331.0 117:387.0 118:197.0 119:2925.0 120:996.0 121:1804.0 123:1089.0 124:616.0 125:1137.0 126:4149.0 127:263.0 128:1518.0 129:2729.0 130:5534.0 131:1015.0 132:285.0 133:5970.0 134:1210.0 135:481.0 136:61.0 137:758.0 138:320.0 139:7.0 140:179.0 141:130.0 143:458.0 144:367.0 146:5921.0 147:494.0 149:631.0 151:467.0 152:201.0 153:200.0 154:223.0 155:225.0 156:2023.0 157:98.0 158:944.0 160:934.0 161:231.0 162:198.0 163:224.0 164:608.0 166:14.0 167:129.0 168:73.0 170:1343.0 171:249.0 172:4507.0 173:398.0 174:15856.0 175:2925.0 176:1072.0 177:323.0 178:45.0 179:1229.0 181:361.0 182:673.0 183:324.0 184:55.0 185:102.0 188:142.0 189:179.0 190:14.0 193:382.0 195:510.0 196:426.0 197:225.0 199:291.0 200:225.0 202:131.0 203:50.0 204:36.0 208:64.0 209:154.0 211:3817.0 212:1086.0 213:1221.0 214:176.0 215:217.0 217:580.0 218:180.0 219:544.0 220:167.0 221:239.0 222:62.0 223:31.0 224:202.0 225:4.0 227:106.0 229:4330.0 230:1020.0 231:518.0 232:233.0 233:1.0 238:58.0 239:20387.0 240:5176.0 241:2170.0 242:262.0 244:201.0 246:76.0 248:63.0 249:48.0 253:139.0 254:625.0 255:415.0 256:132.0 257:263.0 258:14.0 263:422.0 267:142.0 268:4.0 269:17.0 270:79.0 271:2170.0 272:545.0 273:272.0 274:238.0 275:73.0 277:11.0 278:52.0 280:13.0 281:8.0 282:1.0 285:378.0 286:307.0 287:190.0 290:47.0 291:61.0 293:154.0 296:35.0 297:5.0 298:30.0 300:24.0 301:15.0 304:1.0 309:40.0 310:23.0 313:11.0 315:72.0 316:162.0 317:47.0 318:35.0 319:61.0 320:58.0 321:51.0 323:16.0 327:752.0 328:388.0 329:122.0 331:17.0 332:6.0 334:22.0 337:3.0 338:63.0 339:10.0 340:68.0 341:86.0 342:4279.0 343:1246.0 344:663.0 345:85.0 356:15.0 361:7.0 362:17.0 363:56.0 364:2.0 365:42.0 366:20.0 367:26.0 377:28.0 378:2.0 379:15.0 380:32.0 381:9.0 385:35.0 394:5.0 401:54.0 402:3.0 403:8.0 404:8.0 408:7.0 409:10.0 410:8.0 411:11.0 413:20.0 415:26.0 417:8.0 423:4.0 425:6.0 427:6.0 437:15.0 438:9.0 445:1.0 454:1.0 466:6.0 469:3.0 480:1.0 481:8.0 483:2.0 487:28.0 489:21.0 490:2.0 493:3.0 494:3.0 496:10.0 497:3.0 500:2.0,,,,1375,1691,704,1867,1070,445,840,617,2708,932,1128,716,384,199,332,3474,322,336,1264,356
putrescine,588119,174,21703,85:624.0 86:17614.0 87:1954.0 88:701.0 95:37.0 96:1.0 97:93.0 98:646.0 99:2310.0 100:8640.0 101:1171.0 102:973.0 103:9.0 110:382.0 111:26.0 112:811.0 113:463.0 114:1772.0 115:664.0 116:1599.0 117:894.0 118:197.0 124:16.0 125:39.0 126:2092.0 127:226.0 128:1088.0 129:243.0 130:4521.0 131:1582.0 132:862.0 140:655.0 141:77.0 142:1872.0 143:265.0 144:500.0 145:66.0 146:2422.0 153:32.0 156:175.0 158:658.0 159:41.0 160:306.0 161:249.0 162:38.0 167:11.0 170:321.0 171:88.0 172:4206.0 173:1002.0 174:64169.0 175:12035.0 176:5347.0 177:502.0 178:41.0 184:47.0 185:2.0 186:296.0 187:692.0 188:367.0 189:59.0 197:135.0 198:99.0 199:162.0 200:3458.0 201:589.0 202:310.0 211:2.0 212:60.0 213:29.0 214:4453.0 215:873.0 216:342.0 228:51.0 229:24.0 242:2.0 361:457.0 362:101.0 363:68.0 376:189.0 377:35.0,C00138,1049,KIDHWZJUCRJVML-UHFFFAOYSA-N,4056,14361,2557,3371,9379,11026,15878,15882,24103,13740,3521,3240,20431,5379,23920,91652,44242,21322,5100,1766
pseudo uridine,813899,217,1688,86:237.0 88:11.0 89:59.0 98:89.0 99:253.0 100:1259.0 101:467.0 102:246.0 103:1528.0 104:31.0 105:44.0 106:207.0 107:166.0 109:7.0 110:112.0 111:375.0 113:146.0 114:80.0 115:64.0 116:328.0 117:474.0 118:55.0 122:3.0 124:1.0 125:164.0 127:342.0 128:214.0 129:1201.0 130:286.0 131:481.0 132:107.0 133:1244.0 134:252.0 136:17.0 137:5.0 140:118.0 141:89.0 142:644.0 143:887.0 144:172.0 145:62.0 147:4539.0 148:445.0 149:337.0 150:116.0 151:2.0 154:38.0 155:24.0 157:175.0 158:206.0 159:110.0 160:40.0 161:40.0 164:26.0 166:61.0 168:25.0 169:17.0 171:22.0 172:115.0 173:30.0 174:800.0 175:136.0 176:8.0 177:65.0 178:6.0 180:1.0 181:7.0 182:1.0 183:6.0 185:91.0 189:243.0 190:16.0 191:131.0 192:29.0 193:107.0 194:34.0 195:53.0 196:10.0 197:1.0 198:16.0 201:467.0 202:66.0 203:3.0 204:120.0 213:11.0 214:36.0 215:679.0 216:135.0 217:14462.0 218:2884.0 219:1244.0 220:165.0 221:79.0 222:23.0 223:5.0 228:1.0 230:434.0 231:113.0 232:18.0 233:3.0 239:74.0 240:30.0 241:38.0 243:3.0 251:47.0 253:18.0 254:44.0 255:82.0 256:3.0 257:7.0 262:17.0 265:47.0 267:239.0 268:17.0 269:572.0 270:83.0 271:29.0 272:1.0 280:32.0 281:81.0 282:61.0 283:191.0 284:39.0 285:39.0 286:16.0 291:38.0 295:4.0 297:21.0 311:58.0 323:17.0 328:25.0 341:13.0 355:312.0 356:157.0 357:1485.0 358:449.0 359:217.0 360:14.0 369:51.0 370:56.0 371:256.0 372:97.0 383:208.0 384:50.0 385:1.0 386:80.0 395:23.0 409:27.0 411:194.0 412:15.0 424:660.0 425:232.0 426:124.0 427:8.0 440:9.0 443:16.0 446:23.0 453:1.0 473:10.0 495:30.0 496:59.0 498:10.0 499:21.0 500:38.0,C02067,15047,PTJWIQPHWPFNBW-GBNDHIKLSA-N,1322,1505,736,641,5428,2490,1880,4393,1315,1028,474,621,17584,1058,21771,105289,13891,14225,23967,9506
"propoxycarbonylglycine, ethyl ester NIST",412557,116,84544,86:827.0 89:81.0 90:62.0 100:2610.0 101:310.0 102:1928.0 103:169.0 104:585.0 115:1094.0 116:8349.0 117:1003.0 118:283.0 119:73.0 120:70.0 122:676.0 123:29.0 124:24.0 128:38.0 132:55.0 133:388.0 135:198.0 137:861.0 138:50.0 139:45.0 147:1894.0 149:255.0 176:273.0 191:70.0 210:41.0 238:35.0,,,,597,1190,784,222,1035,1178,305,763,604,389,259,297,1217,613,441,2642,424,360,5028,272
"propane-1,3-diol NIST",214380,177,282,85:801.0 86:145.0 87:673.0 99:342.0 100:269.0 101:1134.0 102:390.0 103:1442.0 104:191.0 105:263.0 113:55.0 115:7165.0 116:474.0 119:330.0 129:59.0 130:5199.0 131:1969.0 133:1784.0 135:367.0 145:32.0 147:17505.0 148:2962.0 149:1307.0 150:157.0 151:34.0 163:52.0 164:30.0 176:36.0 177:1417.0 178:147.0 179:81.0 180:21.0 183:38.0 186:23.0 192:22.0 201:32.0 203:21.0 205:278.0 213:45.0 227:17.0 231:24.0 235:29.0 241:30.0 251:33.0 269:24.0 279:50.0 286:13.0 353:13.0 356:13.0 371:32.0 374:26.0 379:17.0 391:22.0 396:18.0 405:19.0 406:20.0 417:18.0 419:22.0 435:15.0 436:24.0 446:13.0 500:20.0,C02457,10442,YPFDHNVEDLHUCE-UHFFFAOYSA-N,13811,14310,19552,16933,11053,14115,5170,9878,14282,12387,17636,15258,16642,15833,15147,8985,15623,15069,10185,15087
proline,364716,142,8,85:2056.0 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 99:2820.0 100:4125.0 101:1740.0 102:731.0 103:1654.0 104:106.0 105:427.0 106:176.0 107:465.0 108:67.0 109:52.0 110:311.0 111:232.0 112:301.0 113:996.0 114:329.0 115:1985.0 116:429.0 117:1213.0 118:146.0 119:466.0 120:44.0 121:71.0 122:64.0 123:52.0 124:625.0 125:120.0 126:878.0 127:934.0 128:807.0 129:255.0 131:2440.0 132:478.0 133:3064.0 134:570.0 135:94.0 138:158.0 139:151.0 140:2324.0 141:1105.0 142:160084.0 143:21857.0 144:6216.0 145:351.0 147:17915.0 148:2674.0 149:1091.0 150:66.0 152:85.0 154:93.0 156:89.0 158:368.0 159:85.0 160:31.0 166:8.0 168:85.0 169:16.0 170:1512.0 171:205.0 172:283.0 173:95.0 174:94.0 175:649.0 177:23.0 181:51.0 182:29.0 188:19.0 198:37.0 210:19.0 214:104.0 216:5899.0 217:1120.0 218:633.0 219:99.0 230:135.0 240:124.0 242:98.0 244:451.0 245:50.0 246:27.0 255:25.0 257:65.0 258:18.0 259:98.0 344:19.0 381:14.0 389:16.0 433:15.0,C00148,145742,ONIBWKKTOPOVIA-BYPYZUCNSA-N,31884,103190,27782,20698,137876,132212,184031,214518,75241,40115,19123,34507,872682,329554,866002,3017654,726425,778842,1777753,422484
piperidone,275603,156,34023,85:313.0 86:2133.0 87:100.0 89:10.0 91:1.0 92:54.0 93:54.0 94:68.0 95:129.0 97:4.0 98:339.0 99:78.0 100:2441.0 101:229.0 102:141.0 103:160.0 104:41.0 105:172.0 106:216.0 107:648.0 109:93.0 110:545.0 111:5.0 112:96.0 113:22.0 114:137.0 115:193.0 116:188.0 117:101.0 118:56.0 119:47.0 122:30.0 126:693.0 127:556.0 128:915.0 129:179.0 130:428.0 131:73.0 133:135.0 134:199.0 135:185.0 136:25.0 137:5.0 138:1.0 140:253.0 141:40.0 142:11.0 143:136.0 145:29.0 146:25.0 147:758.0 148:20.0 150:51.0 151:21.0 152:587.0 153:6.0 154:1697.0 155:182.0 156:13568.0 157:1607.0 158:496.0 159:31.0 160:8.0 161:11.0 162:17.0 163:22.0 166:16.0 167:127.0 168:38.0 170:5317.0 171:3804.0 172:641.0 173:167.0 176:1.0 177:22.0 179:6.0 182:6.0 184:368.0 185:3.0 186:7.0 190:5.0 191:16.0 192:8.0 199:69.0 203:11.0 205:34.0 206:6.0 210:1.0 212:11.0 217:23.0 218:63.0 219:11.0 220:10.0 231:7.0 234:13.0 235:36.0 241:30.0 248:6.0 249:6.0 252:1.0 253:1.0 257:2.0 273:15.0 275:12.0 278:9.0 283:2.0 288:10.0 290:40.0 293:8.0 294:1.0 300:1.0 304:10.0 317:24.0 319:3.0 323:10.0 328:12.0 338:20.0 342:5.0 347:14.0 366:2.0 367:3.0 368:8.0 378:18.0 380:21.0 383:3.0 394:24.0 402:13.0 415:9.0 421:14.0 423:9.0 434:10.0 447:7.0 464:20.0 470:9.0 471:40.0 473:3.0 475:5.0 479:7.0 485:20.0 488:3.0 496:5.0 498:10.0 500:18.0,,12665,XUWHAWMETYGRKB-UHFFFAOYSA-N,1657,1039,1155,489,1451,3967,957,1043,3790,967,470,618,288,240,266,1730,275,365,553,197
pipecolinic acid,404121,156,2448,85:187.0 88:116.0 99:41.0 100:66.0 101:16.0 103:96.0 109:24.0 110:3.0 113:34.0 114:48.0 116:62.0 117:22.0 126:6.0 127:56.0 128:38.0 130:33.0 134:136.0 147:48.0 151:152.0 152:36.0 156:4170.0 157:475.0 158:163.0 168:30.0 171:57.0 181:23.0 184:125.0 186:10.0 193:50.0 216:8.0 227:24.0 230:88.0 231:22.0 299:135.0 300:78.0 304:20.0 318:8.0 363:26.0 391:1.0 400:3.0 407:6.0 410:5.0 435:5.0 467:3.0 487:21.0 499:1.0 500:1.0,,736316,HXEACLLIILLPRG-RXMQYKEDSA-N,2452,6733,2662,2390,15819,8221,6742,11225,9100,3602,1884,4472,773,761,723,4023,1459,832,877,781
pinitol,624716,260,115876,85:27527.0 86:4683.0 87:14913.0 88:5884.0 89:254617.0 90:20627.0 91:17537.0 92:1460.0 93:1599.0 94:1068.0 95:4330.0 96:1471.0 97:4068.0 98:3359.0 99:22494.0 100:3764.0 101:35311.0 102:9344.0 103:180413.0 104:17703.0 105:17623.0 106:1685.0 107:2299.0 108:600.0 109:8287.0 110:1289.0 111:18539.0 112:2705.0 113:11331.0 114:2434.0 115:17660.0 116:44863.0 117:30996.0 118:5614.0 119:24018.0 120:2859.0 121:1838.0 122:535.0 123:1407.0 124:558.0 125:3141.0 126:2363.0 127:14876.0 128:3537.0 129:234236.0 130:30188.0 131:111470.0 132:15995.0 133:359550.0 134:47302.0 135:26576.0 136:2410.0 137:1434.0 138:482.0 139:2838.0 140:1213.0 141:4835.0 142:6866.0 143:66644.0 144:12616.0 145:20622.0 146:28146.0 147:706658.0 148:112089.0 149:72366.0 150:7691.0 151:5614.0 152:925.0 153:4677.0 154:1903.0 155:9014.0 156:5005.0 157:28732.0 158:4421.0 159:178764.0 160:22689.0 161:17609.0 162:2340.0 163:68049.0 164:11127.0 165:6551.0 166:1467.0 167:1564.0 168:762.0 169:6031.0 170:1832.0 171:2223.0 172:6291.0 173:6657.0 174:1409.0 175:9616.0 176:1834.0 177:43302.0 178:8081.0 179:4624.0 180:1074.0 181:3229.0 182:1238.0 183:2547.0 184:875.0 185:7427.0 186:1470.0 187:3026.0 188:1146.0 189:24400.0 190:21280.0 191:199890.0 192:37143.0 193:18772.0 194:2555.0 195:1170.0 196:497.0 197:2998.0 198:701.0 199:1640.0 200:522.0 201:3099.0 202:898.0 203:12519.0 204:74769.0 205:45832.0 206:12498.0 207:94678.0 208:17309.0 209:8306.0 210:998.0 211:1165.0 212:518.0 213:2443.0 214:783.0 215:7915.0 216:2972.0 217:325125.0 218:65175.0 219:30882.0 220:5506.0 221:29694.0 222:6612.0 223:3627.0 224:612.0 225:523.0 226:193.0 227:1464.0 228:1150.0 229:2376.0 230:14138.0 231:12367.0 232:3141.0 233:61150.0 234:13735.0 235:7346.0 236:1090.0 237:1322.0 238:443.0 239:2825.0 240:726.0 241:1242.0 242:1066.0 243:15753.0 244:4655.0 245:13941.0 246:5498.0 247:83983.0 248:18919.0 249:8565.0 250:1408.0 251:1031.0 252:447.0 253:608.0 254:1042.0 255:5215.0 256:1589.0 257:2354.0 258:1064.0 259:3665.0 260:211770.0 261:51759.0 262:21120.0 263:3319.0 264:796.0 265:29298.0 266:7313.0 267:3634.0 268:837.0 269:975.0 270:1155.0 271:4889.0 272:1662.0 273:1298.0 274:381.0 275:297.0 276:157.0 277:771.0 278:529.0 279:488.0 280:263.0 281:164.0 282:123.0 283:134.0 284:338.0 285:4628.0 286:1362.0 287:1638.0 288:458.0 289:420.0 290:290.0 291:7624.0 292:2918.0 293:4438.0 294:1196.0 295:526.0 296:226.0 297:114.0 298:71.0 299:124.0 300:121.0 301:378.0 302:326.0 303:846.0 304:2360.0 305:66081.0 306:21262.0 307:10932.0 308:2328.0 309:1829.0 310:475.0 311:307.0 312:118.0 313:244.0 314:166.0 315:249.0 316:478.0 317:5542.0 318:96059.0 319:34787.0 320:16698.0 321:4310.0 322:983.0 323:250.0 324:108.0 325:41.0 326:53.0 327:509.0 328:455.0 329:1058.0 330:448.0 331:2154.0 332:1092.0 333:774.0 334:951.0 335:5045.0 336:1491.0 337:667.0 338:211.0 339:52.0 340:74.0 341:195.0 342:1269.0 343:27610.0 344:10534.0 345:8990.0 346:2381.0 347:1154.0 348:906.0 349:402.0 350:127.0 351:60.0 352:74.0 353:42.0 354:41.0 355:98.0 357:64.0 358:194.0 359:5070.0 360:2035.0 361:1980.0 362:741.0 363:354.0 364:174.0 365:115.0 366:149.0 367:4581.0 368:1703.0 369:950.0 370:289.0 371:88.0 373:551.0 374:13741.0 375:9129.0 376:3759.0 377:1147.0 378:353.0 379:316.0 380:100.0 381:116.0 382:33.0 383:35.0 384:74.0 385:64.0 386:78.0 387:39.0 388:41.0 389:44.0 390:82.0 391:140.0 392:148.0 393:783.0 394:368.0 395:252.0 396:106.0 397:80.0 398:12.0 399:28.0 400:78.0 401:90.0 403:73.0 404:94.0 405:170.0 406:205.0 407:157.0 408:80.0 409:72.0 410:32.0 412:38.0 413:29.0 414:40.0 415:70.0 416:118.0 417:1503.0 418:853.0 419:1037.0 420:497.0 421:248.0 422:108.0 423:127.0 424:25.0 425:19.0 426:39.0 429:40.0 430:46.0 431:628.0 432:7827.0 433:10467.0 434:5280.0 435:2180.0 436:618.0 437:220.0 438:86.0 439:49.0 441:13.0 442:9.0 444:42.0 445:20.0 446:34.0 447:49.0 448:538.0 449:7927.0 450:3892.0 451:1929.0 452:550.0 453:190.0 454:67.0 455:20.0 456:21.0 458:33.0 463:56.0 464:150.0 465:71.0 467:58.0 468:38.0 470:26.0 471:6.0 472:6.0 473:18.0 474:33.0 475:40.0 477:16.0 478:20.0 479:60.0 480:24.0 484:32.0 486:35.0 491:11.0 493:46.0 494:36.0 495:10.0 496:18.0 497:26.0 498:9.0 500:10.0,,,,608,1214,567,829,860,386,2990,1235,3405,14395,1991,28,377735,310242,400694,317328,440597,406140,536127,330156
phytol,761712,143,3192,85:289.0 86:126.0 88:244.0 89:421.0 93:8.0 95:309.0 96:270.0 97:141.0 98:162.0 99:186.0 100:115.0 101:841.0 102:38.0 103:473.0 105:22.0 107:75.0 109:125.0 111:146.0 112:77.0 113:127.0 115:76.0 116:79.0 117:326.0 118:190.0 121:37.0 122:27.0 123:538.0 124:112.0 126:124.0 129:259.0 130:97.0 131:412.0 132:89.0 133:199.0 134:256.0 139:46.0 141:49.0 143:5116.0 144:663.0 145:148.0 147:569.0 149:92.0 155:28.0 156:41.0 157:50.0 172:75.0 178:55.0 179:66.0 184:72.0 185:31.0 186:35.0 189:70.0 190:189.0 191:32.0 195:37.0 196:50.0 199:77.0 203:32.0 205:162.0 207:36.0 211:107.0 215:25.0 217:14.0 219:40.0 224:28.0 225:54.0 240:30.0 243:6.0 251:4.0 253:35.0 257:27.0 285:16.0 286:22.0 289:1.0 293:4.0 297:21.0 299:50.0 302:31.0 303:1.0 305:30.0 307:39.0 314:15.0 315:52.0 341:32.0 344:1.0 349:16.0 354:1.0 356:18.0 357:76.0 360:4.0 373:4.0 374:14.0 383:6.0 386:29.0 405:2.0 408:14.0 410:8.0 422:2.0 427:9.0 430:18.0 458:12.0 464:43.0 467:17.0 469:25.0 472:4.0 493:9.0 500:1.0,C01389,5280435,BOTWFXYSPFMFNR-PYDDKJGSSA-N,1068,1866,1249,1425,3327,4008,2990,2197,3948,1078,1008,828,624,866,1023,10182,1075,712,2127,703
p-hydroxylphenyllactic acid,654036,308,131590,85:2215.0 86:1344.0 87:2899.0 88:519.0 89:13136.0 90:2723.0 93:1102.0 94:158.0 95:1201.0 96:579.0 97:851.0 98:588.0 99:2702.0 101:4568.0 102:3343.0 103:11556.0 104:2403.0 105:4745.0 106:1128.0 107:1523.0 111:585.0 113:567.0 115:4542.0 116:3517.0 117:5703.0 119:16411.0 120:1714.0 121:1683.0 122:355.0 123:440.0 124:169.0 125:376.0 127:228.0 129:2603.0 130:2580.0 131:12108.0 132:3257.0 133:19695.0 134:2799.0 135:6217.0 136:885.0 137:1458.0 138:55.0 139:917.0 140:260.0 141:1638.0 143:1658.0 144:678.0 145:2175.0 146:4261.0 147:54976.0 148:14632.0 149:15778.0 150:2588.0 151:2627.0 152:500.0 153:245.0 156:671.0 157:3191.0 159:1733.0 161:2570.0 162:961.0 163:6403.0 164:1809.0 165:1334.0 166:649.0 167:416.0 172:739.0 175:2101.0 176:791.0 177:4768.0 178:1278.0 179:180002.0 180:29248.0 181:8670.0 182:687.0 185:289.0 187:1125.0 188:2185.0 190:641.0 192:1536.0 193:5584.0 194:823.0 195:596.0 196:303.0 197:309.0 203:1042.0 205:7627.0 206:983.0 207:2172.0 208:414.0 209:1335.0 210:259.0 211:141.0 213:104.0 219:2799.0 220:827.0 222:151.0 223:1595.0 224:463.0 225:444.0 231:637.0 233:497.0 235:425.0 236:175.0 237:273.0 238:145.0 239:397.0 249:1828.0 250:598.0 251:1170.0 252:450.0 253:1368.0 254:198.0 263:124.0 264:191.0 265:1535.0 266:532.0 267:1035.0 268:172.0 270:321.0 273:245.0 278:128.0 279:298.0 280:932.0 281:4183.0 282:1255.0 283:816.0 284:184.0 292:2692.0 293:8819.0 294:3872.0 295:1298.0 296:488.0 297:2406.0 298:999.0 299:438.0 300:205.0 301:143.0 303:160.0 304:185.0 307:340.0 308:22663.0 309:7507.0 310:2848.0 311:637.0 312:1483.0 313:740.0 314:318.0 321:168.0 322:46.0 324:66.0 325:105.0 327:1913.0 328:697.0 329:480.0 337:14.0 339:126.0 340:180.0 342:836.0 343:283.0 344:200.0 354:170.0 355:2842.0 356:1775.0 363:77.0 364:109.0 369:218.0 371:24.0 383:870.0 384:477.0 385:140.0 386:53.0 395:6.0 398:299.0 399:162.0 400:66.0 421:29.0 422:153.0 423:1453.0 424:755.0 425:307.0 426:97.0 438:36.0 439:8.0 465:17.0 480:10.0 481:14.0,C03672,9378,JVGVDSSUAVXRDY-UHFFFAOYSA-N,291,317,199,238,269,425,2240,656,372,320,328,227,1288,1038,661,2866,661,1011,4949,1153
phosphate,346324,314,131517,85:62377.0 86:17364.0 87:90707.0 88:45892.0 89:316918.0 90:16864.0 91:12259.0 92:1668.0 93:784.0 94:2240.0 95:6176.0 96:38.0 97:4758.0 99:26646.0 100:5496.0 101:314993.0 102:24790.0 103:858808.0 105:42393.0 106:1345.0 107:4327.0 108:786.0 111:4113.0 113:35252.0 114:3204.0 115:131011.0 116:37239.0 117:1311008.0 119:106949.0 121:9968.0 123:1144.0 127:1499.0 128:7726.0 129:85560.0 131:168123.0 132:6143.0 133:643738.0 134:32009.0 135:22144.0 141:597.0 143:5983.0 144:625.0 145:8405.0 146:2496.0 147:2410160.0 148:142360.0 149:145954.0 151:4276.0 156:589.0 159:12931.0 162:2598.0 163:23595.0 171:853.0 172:339.0 189:24740.0 193:37593.0 194:9809.0 195:13722.0 196:2080.0 198:372.0 199:269.0 200:258.0 201:2151.0 202:1497.0 203:164209.0 204:141944.0 205:688971.0 209:8590.0 210:2028.0 215:525.0 217:31768.0 221:10132.0 223:1162.0 225:49555.0 226:6881.0 227:18659.0 228:3077.0 229:1402.0 230:20.0 231:53.0 232:889.0 234:344.0 236:261.0 238:362.0 239:1833.0 240:416.0 241:555.0 242:359.0 243:251.0 250:310.0 251:184.0 252:92.0 253:5974.0 254:3397.0 255:5618.0 256:2293.0 257:1655.0 258:712.0 260:363.0 261:146.0 262:190.0 267:6187.0 268:4157.0 269:13118.0 270:6049.0 271:2571.0 272:611.0 273:616.0 274:879.0 275:626.0 276:677.0 277:297.0 278:58.0 279:931.0 280:657.0 281:554.0 282:1389.0 283:73047.0 284:29935.0 285:15293.0 286:4241.0 287:652.0 288:592.0 289:771.0 290:1006.0 296:209.0 297:517.0 298:10799.0 299:1716608.0 300:444492.0 301:238126.0 302:42594.0 303:10902.0 304:834.0 305:1030.0 306:2908.0 307:1447.0 308:1531.0 309:1379.0 310:2518.0 311:1226.0 312:765.0 313:6760.0 314:258771.0 315:68519.0 316:35260.0 317:6408.0 318:1621.0 319:224.0 341:141.0 357:169.0 358:101.0 359:953.0 360:290.0 361:167.0 363:216.0 372:293.0 373:3305.0 374:1092.0 375:593.0 376:373.0 377:93.0 382:212.0 386:221.0 387:810.0 388:322.0 389:232.0 390:275.0 391:205.0 392:190.0 393:248.0 394:358.0 395:124.0 397:329.0 399:340.0 402:283.0 403:409.0 405:282.0 406:178.0 407:369.0 408:148.0 409:116.0 410:166.0 413:248.0 415:192.0 416:198.0 418:153.0 419:321.0 420:111.0 421:46.0 422:177.0 423:190.0 424:153.0 425:163.0 426:284.0 427:277.0 430:222.0 431:239.0 432:139.0 433:216.0 434:352.0 435:395.0 436:131.0 437:111.0 438:96.0 439:182.0 440:269.0 441:70.0 442:203.0 444:212.0 445:259.0 446:55.0 447:536.0 448:273.0 449:102.0 450:137.0 451:139.0 452:151.0 453:264.0 454:363.0 455:224.0 456:236.0 457:322.0 458:309.0 460:403.0 461:294.0 462:391.0 463:276.0 464:51.0 465:207.0 466:220.0 467:212.0 468:139.0 469:160.0 470:167.0 471:164.0 472:249.0 473:142.0 474:234.0 475:106.0 476:265.0 477:257.0 478:127.0 479:239.0 480:83.0 481:121.0 482:50.0 483:206.0 484:179.0 485:227.0 486:296.0 487:164.0 489:189.0 493:221.0 494:219.0 495:266.0 496:171.0 497:191.0 498:86.0 499:160.0 500:178.0,,,,7911,18660,5982,3635,35714,11311,34822,61255,16929,20192,3623,11569,2801,24848,8897,181381,3251,7196,13056,1359
phenylalanine,537804,218,33,85:116.0 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,COLNVLDHVKWLRT-QMMMGPOBSA-N,21875,26858,9590,7349,40768,33963,89847,62302,20653,13649,3143,4948,17377,3737,8631,48761,2342,5352,66476,7293
phenylacetic acid,368081,164,1733,85:15.0 86:1825.0 87:567.0 88:240.0 89:6578.0 90:5347.0 91:20552.0 92:1827.0 93:126.0 94:19.0 95:266.0 97:74.0 100:1526.0 101:518.0 102:229.0 103:171.0 105:671.0 106:137.0 108:56.0 112:135.0 116:127.0 117:4352.0 118:2311.0 119:769.0 120:88.0 121:1111.0 122:24.0 123:38.0 124:38.0 130:280.0 131:53.0 132:343.0 133:940.0 135:497.0 136:21.0 137:6176.0 138:606.0 139:203.0 140:14.0 144:86.0 146:76.0 148:623.0 149:1102.0 150:506.0 151:25.0 152:34.0 156:43.0 157:2.0 158:34.0 159:26.0 160:168.0 161:94.0 162:105.0 164:16859.0 165:5950.0 166:1200.0 167:158.0 168:38.0 175:2817.0 176:1132.0 177:373.0 178:27.0 186:4.0 187:14.0 190:30.0 192:62.0 193:12034.0 194:2080.0 195:483.0 204:31.0 206:39.0 208:821.0 209:171.0 216:2.0 225:69.0 248:6.0 249:424.0 250:524.0 251:86.0 257:1.0 258:1.0 260:19.0 276:129.0 279:12.0 282:16.0 285:8.0 296:1.0 300:178.0 301:93.0 306:7.0 314:101.0 316:59.0 326:18.0 327:2.0 328:1.0 334:41.0 349:12.0 352:26.0 355:26.0 365:3.0 376:1.0 394:9.0 396:1.0 407:9.0 416:1.0 427:9.0 453:21.0 454:1.0 455:1.0 464:22.0 479:1.0 480:11.0,C07086,999,WLJVXDMOQOGPHL-UHFFFAOYSA-N,2393,5241,5687,5964,856,1051,11176,702,580,3180,3901,1403,226,240,201,580,239,295,377,219
phenol,218927,151,31889,91:2045.0 92:161.0 93:334.0 94:209.0 95:2491.0 96:415.0 97:231.0 105:135.0 106:56.0 110:100.0 111:75.0 112:21.0 120:80.0 121:643.0 122:37.0 123:637.0 124:89.0 125:41.0 131:307.0 132:52.0 134:140.0 135:1287.0 136:193.0 137:125.0 145:37.0 149:73.0 150:28.0 151:15374.0 152:2150.0 153:646.0 154:68.0 166:3125.0 167:465.0 168:102.0 170:10.0 174:109.0 189:40.0 246:20.0 287:37.0 300:22.0 317:16.0 324:18.0 341:9.0 421:39.0 424:20.0 427:19.0 448:25.0 461:37.0 473:18.0 477:29.0 478:16.0 492:15.0,C00146,996,ISWSIDIOOBJBQZ-UHFFFAOYSA-N,706,672,621,992,858,574,1177,774,551,882,735,497,719,591,589,1876,507,530,1278,634
pentitol,561721,307,16624,89:382.0 90:32.0 93:12.0 100:127.0 101:141.0 102:57.0 103:5552.0 104:377.0 105:31.0 110:101.0 113:98.0 115:27.0 117:1218.0 118:90.0 119:10.0 127:172.0 129:3002.0 130:931.0 131:555.0 133:909.0 134:160.0 141:20.0 143:185.0 144:135.0 147:4361.0 148:471.0 149:548.0 151:61.0 153:6.0 157:1007.0 158:82.0 159:54.0 161:29.0 163:129.0 171:32.0 173:7.0 175:78.0 177:56.0 184:126.0 186:4.0 187:24.0 189:406.0 190:96.0 191:390.0 193:55.0 201:3.0 203:79.0 204:78.0 205:775.0 206:195.0 215:45.0 217:3013.0 218:688.0 219:276.0 220:21.0 221:243.0 222:52.0 226:4.0 229:164.0 230:70.0 231:104.0 232:1.0 233:17.0 235:4.0 236:2.0 243:212.0 244:12.0 245:182.0 247:32.0 276:5.0 277:184.0 278:53.0 288:23.0 289:6.0 291:68.0 292:26.0 293:7.0 294:1.0 295:33.0 304:3.0 305:36.0 306:277.0 307:1371.0 308:288.0 309:158.0 310:25.0 316:51.0 317:124.0 318:27.0 319:1176.0 320:321.0 321:140.0 322:23.0 330:13.0 332:4.0 364:6.0 375:13.0 398:5.0 416:16.0 427:7.0 447:4.0 448:16.0 454:8.0 462:12.0 467:19.0,D00061,827,HEBKCHPVOIAQTA-UHFFFAOYSA-N,451,492,334,329,538,449,674,435,776,430,310,476,5856,3449,5606,19011,5399,6479,7698,3767
pentadecanoic acid,674647,117,1680,85:1079.0 86:936.0 87:668.0 88:311.0 89:1235.0 90:252.0 91:363.0 92:121.0 93:924.0 94:23.0 95:2663.0 96:207.0 97:1950.0 98:1682.0 99:1097.0 100:375.0 101:739.0 102:111.0 103:398.0 105:1755.0 106:21.0 107:560.0 109:714.0 110:435.0 111:832.0 112:533.0 113:210.0 114:84.0 115:386.0 116:3014.0 117:51588.0 118:5064.0 119:2265.0 120:57.0 121:350.0 122:9.0 123:205.0 124:23.0 125:265.0 126:192.0 127:184.0 128:189.0 129:22324.0 130:2896.0 131:8800.0 132:18309.0 133:3112.0 134:1429.0 135:121.0 136:2.0 137:75.0 139:96.0 140:121.0 141:128.0 142:1.0 143:1766.0 144:192.0 145:9487.0 146:1252.0 148:1.0 151:65.0 152:13.0 153:73.0 154:130.0 155:53.0 156:74.0 157:376.0 158:128.0 159:1112.0 160:219.0 161:10.0 165:16.0 167:6.0 168:140.0 169:52.0 170:27.0 171:831.0 172:176.0 173:320.0 174:1137.0 175:378.0 176:27.0 179:60.0 180:8.0 181:130.0 184:180.0 185:1045.0 186:101.0 187:580.0 188:187.0 189:29.0 190:30.0 195:37.0 199:271.0 200:101.0 201:1774.0 202:282.0 203:68.0 204:87.0 205:64.0 213:258.0 214:43.0 215:387.0 216:47.0 218:19.0 219:9.0 227:132.0 228:23.0 229:242.0 230:12.0 241:100.0 242:31.0 243:162.0 244:32.0 249:22.0 255:420.0 256:25.0 257:246.0 258:22.0 269:31.0 270:32.0 271:439.0 272:72.0 274:13.0 276:22.0 285:72.0 287:12.0 298:16.0 299:6916.0 300:1721.0 301:505.0 302:25.0 303:38.0 314:347.0 315:160.0 317:30.0 320:2.0 322:4.0 358:11.0 361:16.0 365:13.0 372:8.0 376:6.0 382:2.0 394:31.0 396:1.0 409:11.0 417:37.0 439:10.0 441:12.0 449:3.0 463:12.0 476:12.0 499:21.0,C16537,13849,WQEPLUUGTLDZJY-UHFFFAOYSA-N,9306,13519,6856,5221,35885,28439,41524,28451,16939,8564,3396,2611,3839,7094,5570,27696,9703,5892,6567,5141
pelargonic acid,399229,117,50,85:95.0 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,FBUKVWPVBMHYJY-UHFFFAOYSA-N,3380,7213,3646,9987,8198,6593,5463,4108,12269,3680,4172,6872,3728,5574,4064,1933,8058,4613,2714,4389
parabanic acid NIST,464991,100,4944,86:184.0 100:2598.0 101:191.0 102:43.0 107:53.0 110:113.0 132:10.0 180:10.0 184:81.0 185:1.0 215:53.0 216:3.0 243:231.0 258:5.0 312:3.0 349:7.0 360:7.0 402:7.0 409:10.0 429:9.0 433:1.0 447:3.0 480:21.0 483:7.0 496:10.0,C00802,67126,ZFLIKDUSUDBGCD-UHFFFAOYSA-N,1653,4278,938,1543,4031,1509,14291,6346,4575,5371,1557,1293,1702,1422,2127,11003,1549,1313,9356,1668
pantothenic acid,690887,291,31356,86:142.0 87:115.0 88:61.0 89:123.0 91:147.0 93:29.0 97:25.0 98:459.0 100:211.0 101:202.0 102:407.0 103:6738.0 104:460.0 105:272.0 106:32.0 114:19.0 115:305.0 116:236.0 117:4122.0 118:351.0 119:205.0 120:33.0 121:29.0 122:19.0 124:194.0 128:128.0 129:1113.0 130:360.0 131:394.0 132:39.0 133:428.0 134:46.0 135:88.0 143:489.0 144:621.0 145:402.0 146:236.0 147:1702.0 148:191.0 149:222.0 156:34.0 157:2310.0 158:402.0 159:1325.0 160:173.0 161:30.0 163:50.0 166:44.0 172:86.0 173:26.0 174:60.0 175:28.0 176:45.0 177:34.0 186:54.0 188:41.0 191:33.0 199:26.0 200:13.0 201:1874.0 202:238.0 203:97.0 204:90.0 205:22.0 218:71.0 219:16.0 228:17.0 229:12.0 232:16.0 234:28.0 240:25.0 242:28.0 243:21.0 244:19.0 246:111.0 247:769.0 248:132.0 249:47.0 250:13.0 252:12.0 255:18.0 256:24.0 259:30.0 261:170.0 262:68.0 263:34.0 269:17.0 270:14.0 274:16.0 288:25.0 291:1539.0 292:312.0 293:121.0 302:21.0 312:19.0 316:19.0 330:39.0 332:43.0 373:13.0 420:156.0 429:13.0 450:12.0 458:16.0 464:14.0 478:15.0 487:19.0 497:18.0,C12276,6613,GHOKWGTUZJEAQD-ZETCQYMHSA-N,792,946,68,437,2741,3842,5772,4891,488,419,273,279,469,495,547,1846,579,528,8333,3092
palmitoleic acid,706508,311,96,85:405.0 86:127.0 87:100.0 88:106.0 89:342.0 90:32.0 91:410.0 92:134.0 93:696.0 94:296.0 95:1599.0 96:1826.0 97:1110.0 98:1428.0 99:386.0 100:76.0 101:299.0 102:133.0 105:458.0 107:371.0 108:267.0 109:604.0 110:792.0 111:403.0 112:293.0 113:104.0 114:41.0 115:49.0 116:721.0 117:8045.0 118:759.0 119:439.0 120:82.0 121:328.0 123:517.0 124:259.0 125:141.0 129:6070.0 130:660.0 131:1353.0 132:963.0 133:393.0 134:168.0 135:145.0 137:281.0 138:221.0 139:86.0 141:118.0 143:319.0 144:44.0 145:1616.0 146:223.0 149:109.0 150:25.0 151:111.0 152:430.0 153:80.0 155:189.0 157:147.0 158:37.0 159:195.0 161:94.0 165:90.0 166:53.0 169:87.0 171:212.0 172:132.0 173:66.0 180:29.0 183:38.0 184:57.0 185:378.0 187:84.0 188:29.0 192:32.0 193:58.0 194:315.0 195:32.0 197:17.0 198:17.0 199:298.0 200:59.0 201:122.0 202:18.0 207:119.0 213:74.0 214:47.0 223:23.0 225:37.0 226:43.0 227:35.0 230:41.0 236:158.0 238:15.0 241:43.0 243:22.0 244:61.0 252:35.0 281:31.0 310:29.0 311:766.0 312:227.0 313:73.0 314:25.0 321:21.0 326:88.0 327:36.0 330:30.0 335:38.0 340:13.0 342:29.0 349:19.0 372:26.0 375:17.0 380:25.0 382:40.0 385:42.0 387:27.0 391:18.0 399:25.0 401:24.0 402:25.0 406:27.0 408:41.0 409:32.0 411:38.0 415:39.0 416:26.0 417:18.0 422:36.0 423:16.0 427:22.0 429:26.0 430:23.0 431:25.0 445:35.0 446:17.0 449:35.0 450:26.0 451:26.0 454:56.0 455:48.0 458:48.0 459:20.0 464:24.0 465:24.0 466:29.0 467:36.0 470:29.0 471:17.0 472:32.0 474:51.0 482:27.0 483:28.0 484:19.0 485:24.0 488:36.0 489:59.0 492:45.0 493:36.0 494:35.0 495:35.0 497:41.0 500:59.0,C08362,445638,SECPZKHBENQXJG-FPLPWBNLSA-N,989,2357,1238,655,2892,2462,5284,1468,2010,1112,604,265,406,283,284,523,244,312,533,284
palmitic acid,713809,313,11,85:5547.0 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,IPCSVZSSVZVIGE-UHFFFAOYSA-N,61281,71890,38610,20303,213073,97445,258409,137829,99462,72438,18133,26154,12678,9493,10022,65721,9478,9261,36816,10332
oxoproline,485935,156,10,85:3305.0 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,ODHCTXKNWHHXJC-VKHMYHEASA-N,222302,252010,125040,76330,262687,240736,1469561,760442,293645,345880,71347,91541,149552,105739,126777,1333370,82764,108559,595590,86976
oxalic acid,260513,190,4923,85:642.0 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,MUBZPKHOEPUJKR-UHFFFAOYSA-N,608,532,425,84,265,823,2459,806,825,1128,278,190,515,407,383,1102,255,230,540,187
orotic acid,586317,254,18492,86:145.0 93:50.0 97:74.0 99:33.0 100:658.0 101:27.0 117:39.0 124:23.0 131:210.0 132:36.0 133:51.0 140:16.0 147:494.0 153:16.0 158:39.0 167:49.0 174:219.0 214:30.0 225:13.0 226:22.0 239:84.0 246:15.0 253:160.0 254:1313.0 255:366.0 256:147.0 257:19.0 269:169.0 270:80.0 271:22.0 282:29.0 298:15.0 313:14.0 328:15.0 336:13.0 356:52.0 357:395.0 358:187.0 359:82.0 360:19.0 371:27.0 372:28.0 397:15.0 400:22.0 407:18.0 432:18.0 446:15.0 457:13.0 464:12.0,C00295,967,PXQPEWDEAKTCGB-UHFFFAOYSA-N,435,538,268,219,601,426,816,642,669,535,280,240,2396,716,1848,20582,877,1920,6066,571
ornithine,527113,142,1821,85:252.0 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,AHLPHDHHMVZTML-BYPYZUCNSA-N,77549,118929,3536,6459,108044,70457,184202,159247,77303,72923,4088,17465,9593,10476,9790,291029,12366,9286,97052,16169
ononitol,679510,260,16603,85:396.0 87:293.0 89:3155.0 90:271.0 91:10.0 98:16.0 99:218.0 100:174.0 101:303.0 102:73.0 103:2681.0 104:196.0 105:6.0 110:80.0 111:196.0 113:55.0 114:4.0 116:390.0 117:315.0 119:148.0 125:31.0 127:104.0 129:2810.0 130:217.0 131:944.0 133:4755.0 134:151.0 135:178.0 142:23.0 143:336.0 144:59.0 145:190.0 146:170.0 147:6940.0 148:785.0 149:521.0 155:56.0 156:33.0 157:567.0 158:97.0 159:1818.0 160:54.0 161:237.0 163:652.0 164:64.0 169:128.0 170:19.0 173:28.0 174:15.0 177:353.0 178:91.0 181:14.0 183:24.0 184:26.0 187:27.0 189:342.0 190:165.0 191:1581.0 192:240.0 193:100.0 197:12.0 199:31.0 201:15.0 203:119.0 205:512.0 206:53.0 207:663.0 208:4.0 215:72.0 217:6317.0 218:1165.0 219:464.0 220:7.0 221:204.0 222:10.0 228:39.0 229:18.0 230:298.0 231:262.0 232:38.0 233:461.0 234:49.0 235:24.0 239:13.0 242:2.0 243:234.0 244:19.0 245:119.0 246:84.0 247:639.0 248:81.0 249:21.0 251:10.0 254:8.0 259:118.0 260:1886.0 261:399.0 262:146.0 263:3.0 265:233.0 266:22.0 267:33.0 271:39.0 277:24.0 281:1.0 282:14.0 287:5.0 291:82.0 292:101.0 293:47.0 299:234.0 300:56.0 301:9.0 302:11.0 304:22.0 305:1669.0 306:526.0 307:313.0 308:25.0 317:18.0 318:951.0 319:736.0 320:246.0 321:87.0 331:8.0 332:34.0 333:58.0 335:58.0 339:17.0 341:53.0 342:9.0 343:166.0 344:66.0 345:48.0 349:2.0 350:1.0 359:24.0 361:100.0 362:35.0 367:21.0 374:21.0 375:20.0 377:3.0 393:38.0 401:4.0 425:12.0 431:1.0 432:141.0 433:144.0 434:61.0 435:19.0 450:19.0 475:2.0 477:4.0 493:7.0 494:6.0 500:4.0,,230881,DSCFFEYYQKSRSV-UHFFFAOYSA-N,192,163,184,195,152,151,207,160,120,424,208,154,773,294,776,4831,580,654,1140,413
oleic acid,779120,339,43,85:2268.0 86:703.0 87:608.0 88:472.0 89:1302.0 90:134.0 91:1987.0 92:342.0 93:2662.0 94:1268.0 95:7406.0 96:10672.0 97:6738.0 98:7712.0 99:1578.0 100:201.0 101:682.0 102:145.0 103:388.0 104:124.0 105:1450.0 106:261.0 107:1323.0 108:726.0 109:3302.0 110:3665.0 111:2689.0 112:1153.0 113:264.0 114:114.0 115:259.0 116:3180.0 117:34280.0 118:3347.0 119:2670.0 120:259.0 121:1238.0 122:553.0 123:2546.0 124:1400.0 125:653.0 126:61.0 127:330.0 129:26514.0 130:2892.0 131:5601.0 132:4641.0 133:2024.0 134:898.0 135:644.0 136:168.0 137:1491.0 138:987.0 139:415.0 140:159.0 141:275.0 142:202.0 143:1451.0 144:206.0 145:8576.0 146:943.0 147:1511.0 148:170.0 149:213.0 151:827.0 152:1151.0 153:234.0 154:47.0 155:918.0 156:310.0 157:692.0 158:287.0 159:631.0 160:183.0 161:319.0 162:97.0 164:78.0 165:470.0 166:763.0 167:319.0 168:163.0 169:647.0 170:262.0 171:1081.0 172:337.0 173:452.0 174:126.0 175:145.0 176:79.0 177:52.0 179:76.0 180:898.0 181:303.0 182:58.0 183:783.0 184:144.0 185:1676.0 186:316.0 187:260.0 188:203.0 189:91.0 193:156.0 194:179.0 195:47.0 197:136.0 198:86.0 199:1920.0 200:406.0 201:419.0 207:221.0 208:138.0 209:65.0 210:58.0 211:118.0 212:33.0 213:348.0 214:33.0 215:70.0 216:51.0 220:148.0 221:285.0 222:992.0 223:267.0 224:53.0 225:109.0 226:28.0 227:283.0 228:72.0 234:37.0 235:184.0 236:165.0 237:75.0 238:17.0 239:44.0 240:37.0 241:360.0 242:97.0 243:19.0 246:56.0 247:42.0 249:36.0 250:32.0 253:76.0 255:153.0 257:96.0 264:771.0 265:203.0 266:33.0 267:29.0 268:18.0 269:43.0 271:84.0 272:125.0 278:27.0 279:26.0 281:20.0 282:44.0 286:49.0 287:26.0 290:25.0 295:87.0 296:44.0 298:52.0 311:77.0 313:36.0 315:30.0 316:19.0 320:13.0 323:37.0 324:21.0 325:60.0 330:38.0 331:31.0 333:6.0 336:31.0 338:215.0 339:3052.0 340:1051.0 341:266.0 344:32.0 346:23.0 348:27.0 352:25.0 353:38.0 354:197.0 355:27.0 356:35.0 357:41.0 365:26.0 372:26.0 373:25.0 375:28.0 376:18.0 378:42.0 379:24.0 380:7.0 383:21.0 388:14.0 392:16.0 396:34.0 397:29.0 399:46.0 400:33.0 403:43.0 405:40.0 406:37.0 411:35.0 429:21.0 430:14.0 433:27.0 453:15.0 454:31.0 455:28.0 456:57.0 457:22.0 459:37.0 460:23.0 465:13.0 469:14.0 484:16.0 493:20.0 496:41.0 497:26.0 499:18.0 500:20.0,C00712,445639,ZQPPMHVWECSIRJ-KTKRTIGZSA-N,20106,51103,25311,14501,81886,57814,112836,30560,66146,28157,5985,9926,4900,2901,2877,11956,3114,2514,11285,3762
octanol NIST,247010,187,49382,87:1150.0 88:3971.0 89:6838.0 90:728.0 91:2585.0 92:325.0 97:217.0 98:774.0 99:991.0 101:2239.0 103:43678.0 104:4151.0 105:4720.0 106:460.0 107:215.0 109:41.0 110:60.0 111:2305.0 112:2267.0 113:190.0 115:1892.0 121:11.0 129:1278.0 130:152.0 132:334.0 135:127.0 137:61.0 139:27.0 141:38.0 142:1.0 143:1057.0 144:560.0 145:410.0 146:293.0 149:1630.0 153:28.0 157:184.0 158:127.0 159:22.0 160:133.0 161:23.0 165:25.0 171:43.0 173:82.0 174:157.0 176:60.0 177:19.0 187:17295.0 188:2872.0 189:963.0 196:12.0 202:107.0 205:426.0 206:253.0 210:1.0 214:5.0 219:135.0 241:6.0 252:7.0 257:5.0 264:10.0 265:21.0 266:9.0 285:9.0 286:12.0 290:9.0 292:2.0 295:20.0 298:8.0 299:15.0 300:16.0 301:23.0 302:11.0 305:15.0 306:10.0 319:12.0 321:6.0 333:5.0 344:8.0 346:1.0 359:10.0 364:16.0 365:7.0 368:6.0 371:15.0 373:12.0 379:5.0 380:2.0 381:9.0 382:13.0 383:10.0 386:6.0 390:5.0 392:11.0 400:14.0 402:2.0 406:8.0 407:15.0 409:5.0 411:15.0 413:7.0 422:19.0 437:17.0 439:13.0 448:3.0 457:10.0 459:9.0 460:6.0 467:20.0 476:6.0 481:21.0 499:5.0 500:15.0,,,KBPLFHHGFOOTCA-UHFFFAOYSA-N,903,857,875,828,659,918,764,891,872,660,669,939,701,757,478,706,637,721,777,452
octadecylglycerol,928878,205,104598,85:1831.0 86:134.0 87:138.0 88:115.0 89:743.0 90:83.0 91:171.0 92:39.0 93:52.0 95:256.0 96:162.0 97:977.0 98:173.0 99:522.0 101:1457.0 102:162.0 103:3138.0 104:204.0 105:391.0 106:54.0 107:36.0 108:56.0 109:132.0 110:53.0 111:262.0 112:70.0 113:205.0 115:569.0 116:1378.0 117:8624.0 118:625.0 119:566.0 120:50.0 125:110.0 126:47.0 127:111.0 129:1655.0 130:3660.0 131:3655.0 132:694.0 133:5745.0 134:483.0 135:244.0 136:20.0 139:26.0 141:41.0 143:75.0 145:154.0 146:41.0 147:7066.0 148:1180.0 149:1103.0 150:97.0 151:48.0 153:16.0 155:19.0 159:68.0 160:25.0 162:20.0 163:52.0 166:14.0 167:29.0 169:25.0 173:25.0 174:33.0 175:302.0 176:60.0 177:266.0 179:48.0 184:26.0 185:16.0 186:19.0 189:156.0 191:56.0 197:16.0 204:576.0 205:7824.0 206:1274.0 207:625.0 208:74.0 209:26.0 221:43.0 226:12.0 231:12.0 243:14.0 250:25.0 251:23.0 257:28.0 258:14.0 259:16.0 265:17.0 266:15.0 279:20.0 284:22.0 288:12.0 296:19.0 310:32.0 311:30.0 317:13.0 324:12.0 339:22.0 341:108.0 343:23.0 354:11.0 368:20.0 374:12.0 375:21.0 377:22.0 384:29.0 386:29.0 396:16.0 398:15.0 400:12.0 402:21.0 407:35.0 413:16.0 416:14.0 418:21.0 421:22.0 425:25.0 426:17.0 427:18.0 438:25.0 440:13.0 441:15.0 452:14.0 456:11.0 458:16.0 459:26.0 461:17.0 472:13.0 473:36.0 477:26.0 478:12.0 482:20.0 484:22.0 486:20.0 488:16.0 491:20.0 495:13.0 496:16.0 497:18.0 499:18.0,,,OGBUMNBNEWYMNJ-UHFFFAOYSA-N,999,2348,1077,1354,4867,4637,10574,6651,4882,2301,939,905,2689,1579,3237,34076,2034,2229,8952,2523
octadecanol,755409,327,997,85:3812.0 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,,8221,GLDOVTGHNKAZLK-UHFFFAOYSA-N,854,1101,731,851,1024,1162,2215,2297,1993,1208,720,640,290,482,229,481,302,223,1068,485
O-acetylserine,414914,174,3943,85:50.0 88:106.0 89:497.0 90:71.0 91:67.0 92:42.0 93:18.0 95:6.0 100:1115.0 101:583.0 102:369.0 103:258.0 104:89.0 107:294.0 108:42.0 110:29.0 111:25.0 112:39.0 114:153.0 115:82.0 116:2248.0 117:605.0 118:166.0 127:20.0 128:35.0 129:92.0 130:222.0 131:1052.0 132:2219.0 133:371.0 134:647.0 136:37.0 143:114.0 144:320.0 146:17.0 147:692.0 149:416.0 153:1.0 158:108.0 160:21.0 167:25.0 172:25.0 174:3344.0 175:330.0 176:118.0 182:14.0 185:66.0 186:50.0 188:145.0 199:8.0 213:1.0 216:290.0 217:82.0 218:342.0 219:120.0 220:3.0 221:15.0 222:8.0 223:52.0 231:2.0 245:9.0 271:60.0 274:7.0 291:52.0 292:48.0 293:17.0 298:4.0 314:4.0 331:5.0 341:1.0 348:8.0 349:19.0 350:2.0 354:8.0 358:6.0 366:3.0 393:10.0 394:2.0 396:32.0 412:12.0 413:8.0 428:19.0 431:18.0 433:87.0 435:14.0 451:10.0 479:1.0 483:22.0,C00979,99478,VZXPDPZARILFQX-BYPYZUCNSA-N,279,774,377,573,1327,1098,1492,1174,1076,968,586,363,266,385,384,1052,409,296,367,363
norvaline,326715,144,84561,85:491.0 86:620.0 87:1347.0 88:555.0 89:270.0 90:21.0 91:629.0 92:203.0 94:223.0 95:100.0 96:202.0 97:198.0 98:556.0 99:281.0 100:3028.0 101:791.0 102:238.0 103:1321.0 104:271.0 105:585.0 106:336.0 111:561.0 112:234.0 114:1043.0 115:530.0 116:354.0 117:891.0 118:228.0 120:19.0 122:111.0 123:119.0 125:135.0 128:1045.0 129:421.0 130:833.0 131:1324.0 132:477.0 133:1391.0 135:525.0 139:158.0 140:84.0 141:125.0 142:327.0 143:187.0 144:45660.0 145:5754.0 146:2037.0 147:5230.0 148:1549.0 149:406.0 152:94.0 153:14.0 154:19.0 155:108.0 156:583.0 157:192.0 158:338.0 160:182.0 161:121.0 162:41.0 163:319.0 164:111.0 166:52.0 167:32.0 169:107.0 171:56.0 172:89.0 173:41.0 175:120.0 177:58.0 178:88.0 179:45.0 182:49.0 183:79.0 186:25.0 187:20.0 188:59.0 189:68.0 190:41.0 191:47.0 195:250.0 196:89.0 197:22.0 198:49.0 199:127.0 200:34.0 201:39.0 202:197.0 203:127.0 204:65.0 205:51.0 206:35.0 211:178.0 212:44.0 213:15.0 214:46.0 215:35.0 217:11.0 218:2434.0 219:697.0 220:282.0 224:53.0 225:219.0 228:47.0 230:26.0 232:20.0 236:19.0 239:30.0 243:71.0 244:98.0 245:48.0 246:397.0 247:111.0 249:23.0 250:23.0 251:29.0 252:44.0 254:120.0 255:33.0 257:63.0 261:25.0 262:35.0 263:42.0 265:29.0 266:39.0 267:32.0 268:39.0 270:27.0 271:23.0 275:35.0 276:26.0 277:12.0 278:63.0 280:17.0 284:33.0 287:14.0 288:24.0 289:19.0 291:21.0 292:24.0 294:21.0 299:28.0 300:29.0 301:33.0 302:25.0 303:25.0 304:17.0 306:44.0 307:30.0 310:18.0 316:35.0 317:19.0 321:39.0 322:39.0 323:27.0 332:12.0 334:27.0 335:79.0 337:107.0 338:36.0 339:51.0 340:44.0 344:35.0 350:41.0 351:59.0 352:29.0 353:18.0 354:28.0 355:17.0 359:29.0 361:25.0 364:28.0 381:24.0 395:35.0 396:17.0 402:16.0 411:26.0 412:32.0 413:28.0 415:30.0 416:33.0 417:23.0 418:37.0 419:29.0 423:36.0 427:26.0 428:22.0 429:25.0 433:21.0 435:20.0 436:23.0 437:22.0 441:37.0 442:34.0 443:21.0 444:29.0 445:34.0 446:22.0 448:16.0 449:25.0 451:38.0 452:37.0 459:19.0 461:40.0 468:18.0 469:30.0 476:20.0 480:33.0 496:20.0 497:16.0 499:27.0,C01826,65098,SNDPXSYFESPGGJ-BYPYZUCNSA-N,1640,3437,1217,1138,4133,6578,8004,9445,9913,3089,2195,1493,477,461,440,1393,503,319,721,297
nornicotine,495231,142,16943,86:784.0 87:255.0 88:712.0 89:376.0 90:144.0 91:1806.0 92:2187.0 93:1209.0 94:1038.0 95:293.0 97:259.0 100:1110.0 102:282.0 103:385.0 104:245.0 105:328.0 106:1590.0 107:271.0 108:197.0 109:193.0 114:259.0 116:137.0 118:2488.0 119:935.0 120:1975.0 121:199.0 122:813.0 124:50.0 125:61.0 126:301.0 128:346.0 130:841.0 134:1096.0 136:10487.0 137:1364.0 138:523.0 139:12.0 140:357.0 142:79034.0 143:8008.0 144:1730.0 145:265.0 148:259.0 150:259.0 151:25.0 155:500.0 156:94.0 159:666.0 160:319.0 161:219.0 162:231.0 163:28.0 164:190.0 165:48.0 167:1232.0 168:508.0 173:346.0 174:1440.0 175:59.0 176:440.0 177:2051.0 178:402.0 179:116.0 182:92.0 185:25.0 189:19.0 191:4808.0 192:852.0 193:21.0 194:365.0 197:21.0 199:60.0 201:135.0 203:1262.0 205:6445.0 206:759.0 208:1.0 209:12.0 211:90.0 212:3.0 216:40.0 217:689.0 219:118.0 220:4810.0 221:504.0 222:139.0 224:3.0 225:2.0 228:5.0 232:866.0 234:15.0 235:26.0 237:44.0 239:2231.0 240:326.0 241:100.0 242:9.0 243:68.0 244:14.0 245:13.0 249:5.0 253:18.0 254:294.0 256:12.0 257:21.0 261:33.0 265:31.0 268:32.0 270:22.0 273:86.0 275:7.0 276:8.0 283:1.0 291:31.0 292:157.0 293:54.0 294:39.0 295:5.0 296:1.0 299:29.0 304:163.0 305:94.0 306:52.0 307:224.0 308:97.0 309:43.0 314:13.0 318:1.0 319:61.0 320:4.0 321:278.0 322:33.0 323:46.0 327:14.0 330:57.0 335:1.0 336:426.0 337:112.0 338:26.0 341:19.0 342:479.0 343:97.0 344:30.0 350:28.0 363:4.0 379:1.0 380:6.0 388:3.0 397:3.0 409:4.0 417:6.0 421:1.0 428:4.0 434:2.0 466:3.0 495:3.0,C06524,412,MYKUKUCHPMASKF-UHFFFAOYSA-N,521,955,377,408,1041,1204,1634,1242,1329,703,277,303,278,221,308,969,290,313,420,254
N-methylalanine,288133,130,46153,98:431.0 103:361.0 127:88.0 128:210.0 130:18385.0 131:1890.0 142:364.0 218:235.0 219:19.0 232:139.0 233:14.0 242:5.0 281:20.0 342:4.0 370:1.0 378:12.0 415:3.0 484:3.0 497:12.0,C02721,5288725,GDFAOVXKHJXLEI-VKHMYHEASA-N,8521,18316,4006,11420,31558,61379,19284,36864,39165,24572,11747,13112,7611,3493,4341,21666,6014,3685,8626,3211
nicotinic acid,366992,180,285,85:402.0 86:47.0 87:81.0 90:191.0 91:76.0 94:43.0 99:36.0 100:31.0 103:50.0 105:288.0 106:4046.0 107:327.0 109:67.0 110:145.0 118:33.0 122:66.0 123:45.0 126:72.0 129:143.0 134:280.0 135:48.0 136:4959.0 137:603.0 138:162.0 139:22.0 153:17.0 156:104.0 158:16.0 160:19.0 165:17.0 166:29.0 167:25.0 171:18.0 175:13.0 179:34.0 180:4823.0 181:551.0 182:132.0 184:156.0 195:164.0 196:32.0 198:40.0 200:20.0 201:26.0 202:22.0 205:27.0 220:19.0 228:101.0 229:39.0 230:25.0 232:32.0 243:16.0 244:25.0 256:34.0 291:21.0 305:12.0 317:27.0 337:13.0 339:18.0 344:18.0 346:25.0 347:25.0 352:16.0 356:23.0 357:17.0 364:16.0 367:20.0 372:15.0 377:19.0 379:17.0 380:19.0 384:13.0 387:14.0 394:27.0 402:17.0 410:12.0 418:28.0 422:24.0 425:32.0 428:14.0 430:25.0 435:14.0 440:35.0 443:19.0 451:20.0 456:16.0 465:18.0 472:29.0 473:19.0 494:13.0 497:13.0,C00253,938,PVNIIMVLHYAWGP-UHFFFAOYSA-N,11089,15242,8495,10229,43913,44303,61753,50801,19564,8821,3752,3841,15015,11837,12629,55722,14289,18866,13599,9215
nicotinamide,469827,179,1749,85:163.0 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,DFPAKSUCGFBDDF-UHFFFAOYSA-N,4741,5261,1966,1158,6031,8442,8226,5710,12642,9862,1744,4117,879,754,438,2115,868,961,820,640
nicotianamine,898928,186,4701,85:1045.0 86:2209.0 87:492.0 88:565.0 89:531.0 90:17.0 91:24.0 92:91.0 93:60.0 94:2698.0 95:943.0 96:3824.0 97:768.0 98:953.0 99:875.0 100:6932.0 101:1241.0 102:2847.0 103:7119.0 104:1527.0 105:301.0 106:281.0 107:1.0 108:595.0 109:248.0 110:374.0 111:147.0 112:876.0 113:681.0 114:3367.0 115:1337.0 116:3362.0 117:2278.0 118:457.0 119:120.0 120:106.0 121:331.0 122:538.0 123:901.0 124:543.0 125:476.0 126:976.0 127:411.0 128:8448.0 129:4912.0 130:2632.0 131:1356.0 132:1156.0 133:1863.0 134:274.0 135:217.0 136:109.0 137:116.0 138:71.0 139:200.0 140:1195.0 141:478.0 142:4545.0 143:1256.0 144:1373.0 145:451.0 146:371.0 147:10756.0 148:1833.0 149:2617.0 150:301.0 151:387.0 152:304.0 153:94.0 154:949.0 155:930.0 156:1653.0 157:2034.0 158:4388.0 159:1272.0 160:785.0 161:455.0 162:129.0 163:567.0 164:101.0 165:88.0 166:251.0 167:774.0 168:361.0 169:834.0 170:1148.0 171:512.0 172:1304.0 173:713.0 174:1166.0 175:104.0 176:275.0 177:351.0 178:74.0 179:129.0 180:267.0 181:243.0 182:2180.0 183:867.0 184:1169.0 185:879.0 186:48771.0 187:7332.0 188:3272.0 189:700.0 190:222.0 191:4310.0 192:1096.0 193:588.0 194:185.0 195:338.0 196:297.0 197:363.0 198:696.0 199:278.0 200:1155.0 201:358.0 202:1143.0 203:571.0 204:1185.0 205:245.0 206:77.0 207:534.0 208:130.0 209:184.0 210:122.0 211:653.0 212:2659.0 213:887.0 214:1838.0 215:853.0 216:914.0 217:1471.0 218:13051.0 219:3769.0 220:1533.0 221:502.0 222:125.0 223:48.0 224:118.0 225:185.0 226:196.0 227:154.0 228:425.0 229:445.0 230:741.0 231:388.0 232:8469.0 233:2122.0 234:893.0 235:143.0 236:86.0 237:63.0 238:99.0 239:399.0 240:215.0 241:2838.0 242:648.0 243:345.0 244:834.0 245:1036.0 246:9619.0 247:2311.0 248:1413.0 249:377.0 250:49.0 251:105.0 252:107.0 253:200.0 254:140.0 255:233.0 256:212.0 257:198.0 258:1809.0 259:646.0 260:2723.0 261:541.0 262:360.0 263:106.0 264:44.0 265:165.0 266:166.0 267:117.0 268:57.0 269:28.0 270:153.0 271:232.0 272:327.0 273:1868.0 274:534.0 275:180.0 276:399.0 277:144.0 278:79.0 279:102.0 280:76.0 282:98.0 283:739.0 284:376.0 285:306.0 286:247.0 287:634.0 288:242.0 289:130.0 290:307.0 291:297.0 292:100.0 293:125.0 294:123.0 295:33.0 296:47.0 297:43.0 298:38.0 299:151.0 300:113.0 301:401.0 302:732.0 303:226.0 304:362.0 305:247.0 306:156.0 307:37.0 308:93.0 310:51.0 311:23.0 312:138.0 313:256.0 314:68.0 315:267.0 316:17.0 317:209.0 318:102.0 319:95.0 320:71.0 321:59.0 322:6.0 323:90.0 324:67.0 325:20.0 326:49.0 327:170.0 328:227.0 329:355.0 330:294.0 331:343.0 332:163.0 333:114.0 334:41.0 335:162.0 336:34.0 337:94.0 338:265.0 339:100.0 340:30.0 341:41.0 342:227.0 343:144.0 344:151.0 345:2638.0 346:879.0 347:462.0 348:222.0 349:6.0 350:57.0 351:58.0 354:20.0 355:1527.0 356:439.0 357:338.0 358:71.0 359:653.0 360:313.0 361:230.0 362:137.0 363:113.0 364:31.0 366:89.0 367:28.0 369:3.0 371:56.0 372:5.0 373:1522.0 374:917.0 375:628.0 376:219.0 377:54.0 379:2.0 380:39.0 381:9.0 383:55.0 384:18.0 385:42.0 386:22.0 387:256.0 388:185.0 389:48.0 391:23.0 392:58.0 393:63.0 394:1.0 398:18.0 400:12.0 401:72.0 402:53.0 403:124.0 404:47.0 405:65.0 406:52.0 407:7.0 413:6.0 414:101.0 415:142.0 417:66.0 418:117.0 419:215.0 420:83.0 421:36.0 425:1.0 427:13.0 429:125.0 431:298.0 432:209.0 433:99.0 434:30.0 435:11.0 441:11.0 442:2.0 443:19.0 444:50.0 445:783.0 446:428.0 447:152.0 448:67.0 449:15.0 450:3.0 451:29.0 453:5.0 454:12.0 456:141.0 457:151.0 458:65.0 461:38.0 463:57.0 464:403.0 465:220.0 466:102.0 467:25.0 468:26.0 471:31.0 472:70.0 473:90.0 474:17.0 475:104.0 476:28.0 477:78.0 478:128.0 479:90.0 480:40.0 482:23.0 483:4.0 484:16.0 485:9.0 486:90.0 487:15.0 488:33.0 489:98.0 490:89.0 491:24.0 492:32.0 495:28.0 497:8.0,C05324,9882882,KRGPXXHMOXVMMM-CIUDSAMLSA-N,265,312,181,173,3206,573,865,1594,309,225,269,490,201,7178,326,200323,13501,304,606,1278
N-acetylmannosamine,735323,319,3244,85:1141.0 86:451.0 87:885.0 88:794.0 89:7966.0 90:778.0 91:624.0 93:87.0 94:49.0 95:261.0 96:255.0 97:763.0 98:285.0 99:645.0 100:1414.0 101:2282.0 102:588.0 103:22851.0 104:2059.0 105:1722.0 106:141.0 108:12.0 109:340.0 110:235.0 111:311.0 113:842.0 114:5548.0 115:953.0 116:1164.0 117:12085.0 118:1540.0 119:1530.0 120:118.0 123:92.0 125:29.0 126:101.0 127:736.0 128:479.0 129:16363.0 130:2769.0 131:3417.0 132:431.0 133:8669.0 134:1093.0 135:600.0 136:274.0 137:5.0 139:62.0 140:139.0 141:130.0 142:782.0 143:1998.0 144:409.0 145:352.0 147:34899.0 148:5155.0 149:3377.0 150:418.0 151:193.0 152:89.0 153:168.0 154:195.0 155:622.0 156:297.0 157:11501.0 158:1661.0 159:724.0 160:38.0 161:175.0 162:49.0 163:784.0 164:135.0 165:26.0 166:128.0 168:56.0 169:2443.0 170:701.0 171:279.0 172:1561.0 173:1892.0 174:529.0 175:589.0 176:16.0 177:281.0 178:121.0 183:206.0 185:187.0 186:211.0 187:130.0 188:158.0 189:2914.0 190:964.0 191:2818.0 192:435.0 193:117.0 198:101.0 199:157.0 201:952.0 202:442.0 203:577.0 204:3303.0 205:19104.0 206:3604.0 207:1792.0 208:237.0 213:83.0 214:273.0 215:234.0 216:677.0 217:12330.0 218:2551.0 219:1112.0 220:118.0 221:479.0 222:97.0 223:134.0 227:59.0 228:85.0 229:3168.0 230:1099.0 231:800.0 232:210.0 233:179.0 234:98.0 235:30.0 236:1.0 237:32.0 240:19.0 241:107.0 242:102.0 243:881.0 244:413.0 245:282.0 246:65.0 247:249.0 248:26.0 250:16.0 256:197.0 257:61.0 258:30.0 259:204.0 260:98.0 261:1.0 262:2213.0 263:821.0 264:233.0 265:114.0 266:28.0 268:43.0 269:62.0 271:483.0 272:140.0 273:27.0 274:28.0 275:34.0 277:510.0 278:100.0 279:35.0 286:16.0 288:110.0 289:79.0 291:733.0 292:149.0 293:92.0 299:4.0 300:14.0 302:81.0 304:20.0 305:851.0 306:228.0 307:374.0 308:114.0 310:21.0 311:97.0 312:28.0 313:22.0 316:54.0 317:102.0 318:260.0 319:15684.0 320:4677.0 321:2091.0 322:400.0 323:73.0 324:10.0 328:54.0 330:6.0 331:169.0 332:167.0 333:211.0 334:32.0 335:98.0 336:167.0 337:60.0 338:23.0 345:14.0 346:37.0 348:1.0 356:16.0 357:9.0 361:1273.0 362:393.0 363:171.0 364:33.0 365:39.0 372:15.0 374:45.0 376:258.0 377:65.0 402:57.0 448:33.0 461:20.0 466:12.0 478:24.0 483:13.0,C00645,439281,OVRNDRQMDRJTHS-ZTVVOAFPSA-N,355,352,287,357,613,426,4750,1649,947,409,305,285,479,282,406,1382,550,478,556,255
N-acetylglycine NIST,356109,174,97747,86:561.0 87:403.0 88:644.0 89:35.0 99:219.0 100:176.0 101:274.0 102:648.0 104:5441.0 105:335.0 106:5.0 107:486.0 110:168.0 114:460.0 116:32.0 117:38.0 121:7.0 127:384.0 130:6095.0 131:81.0 132:3092.0 133:35.0 136:105.0 138:17.0 139:26.0 143:55.0 144:59.0 145:3349.0 146:531.0 171:15.0 174:3449.0 175:233.0 176:69.0 180:58.0 182:18.0 184:378.0 195:12.0 199:51.0 207:70.0 211:93.0 241:33.0 242:3.0 257:5.0 265:4.0 266:16.0 272:13.0 280:3.0 286:5.0 288:15.0 293:7.0 299:432.0 300:155.0 301:47.0 311:4.0 312:7.0 314:86.0 315:32.0 316:8.0 318:5.0 320:15.0 322:37.0 327:13.0 328:21.0 337:9.0 339:4.0 344:4.0 349:3.0 350:14.0 352:7.0 360:12.0 361:25.0 366:5.0 370:15.0 371:12.0 372:2.0 373:15.0 375:8.0 380:24.0 393:7.0 394:8.0 395:20.0 397:23.0 398:4.0 402:3.0 406:6.0 413:5.0 420:14.0 425:6.0 427:42.0 432:24.0 434:8.0 441:11.0 442:6.0 445:10.0 448:1.0 453:8.0 454:1.0 455:12.0 456:20.0 457:8.0 463:12.0 465:9.0 468:6.0 472:10.0 479:6.0 480:4.0 481:7.0 482:25.0 483:29.0 484:49.0 490:7.0 492:1.0 493:6.0 496:29.0,,10972,OKJIRPAQVSHGFK-UHFFFAOYSA-N,239,223,217,222,215,235,434,227,219,172,235,204,338,219,240,1014,203,283,384,313
N-acetylglutamate,604748,216,62256,85:107814.0 86:18458.0 87:11769.0 88:11138.0 89:14892.0 90:2982.0 91:3720.0 92:524.0 93:740.0 94:486.0 95:6384.0 96:2407.0 97:5303.0 98:35189.0 99:25848.0 100:19887.0 101:23815.0 102:9882.0 103:77075.0 104:9354.0 105:4287.0 106:699.0 107:415.0 108:1738.0 109:1106.0 110:2483.0 111:20118.0 112:15357.0 113:5447.0 114:10062.0 115:11909.0 116:108594.0 117:47576.0 118:12294.0 119:6445.0 120:703.0 121:557.0 122:267.0 123:124.0 124:1230.0 125:4404.0 126:166496.0 127:21377.0 128:6040.0 129:37019.0 130:31951.0 131:37579.0 132:11043.0 133:43197.0 134:7480.0 135:4064.0 136:709.0 137:280.0 138:1999.0 139:934.0 140:14772.0 141:5268.0 142:30289.0 143:10726.0 144:14135.0 145:12872.0 146:28630.0 147:69669.0 148:12460.0 149:25205.0 150:3795.0 151:1987.0 152:1140.0 153:22999.0 154:5018.0 155:1445.0 156:195019.0 157:45022.0 158:183647.0 159:65313.0 160:16541.0 161:3350.0 162:2353.0 163:1705.0 164:1003.0 165:843.0 166:641.0 167:330.0 168:514.0 169:3825.0 170:9647.0 171:6038.0 172:17669.0 173:9142.0 174:60911.0 175:12669.0 176:3460.0 177:973.0 178:325.0 179:733.0 180:494.0 181:347.0 182:2076.0 183:1229.0 184:15673.0 185:5443.0 186:98398.0 187:22656.0 188:6528.0 189:12610.0 190:2709.0 191:2631.0 192:1052.0 193:696.0 194:160.0 196:285.0 197:725.0 198:2226.0 199:5597.0 200:22415.0 201:7725.0 202:6117.0 203:2619.0 204:14199.0 205:3911.0 206:1546.0 207:206.0 208:155.0 210:398.0 211:566.0 212:388.0 213:275.0 214:1345.0 215:1201.0 216:132595.0 217:37251.0 218:9971.0 219:1712.0 220:518.0 221:50.0 223:149.0 224:132.0 225:260.0 226:3052.0 227:949.0 228:55985.0 229:9110.0 230:15162.0 231:4109.0 232:1748.0 233:1645.0 234:445.0 235:642.0 236:161.0 238:63.0 239:110.0 241:202.0 242:194.0 243:9674.0 244:3070.0 245:979.0 246:393.0 247:196.0 248:1287.0 249:1619.0 250:624.0 251:267.0 252:152.0 253:219.0 254:142.0 255:124.0 256:171.0 257:239.0 258:760.0 259:1802.0 260:642.0 261:927.0 262:305.0 263:212.0 265:107.0 266:91.0 267:119.0 268:125.0 269:67.0 270:130.0 271:149.0 272:458.0 273:299.0 274:637.0 275:382.0 276:16201.0 277:14476.0 278:5511.0 279:1758.0 280:475.0 281:66.0 282:121.0 283:104.0 284:429.0 285:230.0 286:143.0 287:167.0 288:314.0 289:2130.0 290:6194.0 291:2490.0 292:919.0 293:354.0 294:207.0 295:111.0 296:112.0 297:142.0 300:889.0 301:515.0 304:103.0 305:192.0 306:164.0 307:457.0 308:234.0 309:168.0 310:68.0 311:58.0 312:32.0 315:330.0 317:680.0 318:32817.0 319:10976.0 320:3888.0 321:745.0 322:182.0 323:62.0 324:21.0 325:2.0 331:9.0 333:526.0 334:217.0 335:130.0 336:26.0 339:7.0 341:20.0 343:6.0 344:35.0 345:51.0 346:28.0 347:31.0 348:132.0 349:59.0 350:20.0 351:10.0 352:12.0 356:11.0 358:132.0 359:72.0 360:34.0 361:43.0 362:39.0 363:21.0 367:4.0 369:7.0 371:18.0 374:17.0 375:24.0 376:71.0 377:30.0 378:29.0 379:120.0 380:50.0 381:25.0 383:6.0 384:18.0 386:24.0 387:58.0 388:51.0 390:57.0 391:18.0 394:22.0 398:5.0 400:1.0 404:46.0 405:34.0 406:10.0 420:14.0 422:9.0 423:1.0 425:6.0 426:10.0 427:9.0 435:25.0 436:7.0 437:7.0 439:8.0 440:10.0 442:1.0 443:12.0 444:6.0 445:20.0 447:2.0 448:6.0 449:1.0 450:7.0 451:9.0 452:3.0 455:10.0 456:10.0 458:2.0 463:16.0 465:27.0 466:21.0 468:15.0 470:2.0 474:3.0 476:5.0 477:6.0 478:1.0 480:4.0 482:3.0 483:1.0 487:1.0 490:1.0 491:9.0 493:2.0 494:15.0 495:34.0 497:8.0 498:6.0 499:6.0 500:6.0,C00624,70914,RFMMMVDNIPUKGG-YFKPBYRVSA-N,547,1820,521,785,1502,3334,6292,3509,2973,1747,177,1163,841,780,51,2849,280,670,567,292
n-acetyl-d-hexosamine,746341,319,1674,85:448.0 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,OVRNDRQMDRJTHS-FMDGEEDCSA-N,984,1243,865,1259,4530,3104,8879,6577,3332,1210,731,454,883,1049,1464,2934,1264,1123,3981,1508
N-acetyl-D-galactosamine,723255,202,110343,85:627.0 86:261.0 87:21356.0 88:1373.0 89:5326.0 90:130.0 91:161.0 95:237.0 96:68.0 97:1088.0 98:343.0 99:1634.0 100:2143.0 101:1471.0 102:1075.0 103:9375.0 104:938.0 105:1028.0 107:87.0 108:134.0 109:278.0 111:454.0 112:509.0 113:954.0 114:629.0 115:703.0 116:3570.0 117:10573.0 118:1265.0 119:647.0 120:158.0 122:136.0 123:291.0 124:123.0 125:136.0 126:277.0 127:331.0 128:962.0 129:16447.0 130:3216.0 131:3281.0 132:1286.0 133:6166.0 134:438.0 135:149.0 137:248.0 138:58.0 140:42.0 141:1434.0 142:316.0 143:1702.0 144:1107.0 145:329.0 146:190.0 147:18808.0 148:3552.0 149:2323.0 150:140.0 153:893.0 154:952.0 155:488.0 157:4243.0 158:2100.0 159:570.0 161:55.0 162:41.0 163:384.0 165:121.0 166:88.0 168:313.0 169:675.0 170:704.0 171:2653.0 173:5548.0 174:1158.0 175:84.0 177:135.0 178:16.0 180:14.0 184:226.0 185:748.0 186:872.0 187:280.0 189:1900.0 190:477.0 191:510.0 192:134.0 194:27.0 195:343.0 196:241.0 197:149.0 198:137.0 200:810.0 201:588.0 202:8508.0 203:1305.0 204:1920.0 205:8310.0 206:1430.0 207:844.0 208:107.0 209:162.0 210:301.0 211:207.0 212:393.0 213:1335.0 214:244.0 215:230.0 216:103.0 217:3185.0 221:188.0 222:38.0 223:133.0 225:171.0 226:20.0 227:304.0 228:120.0 229:833.0 230:291.0 231:1428.0 232:218.0 233:43.0 234:15.0 236:26.0 237:189.0 238:319.0 239:97.0 241:36.0 242:96.0 243:2060.0 244:493.0 245:223.0 246:329.0 247:92.0 248:39.0 250:54.0 252:13.0 253:29.0 254:40.0 255:338.0 256:115.0 257:45.0 258:71.0 259:77.0 260:19.0 261:49.0 262:19.0 263:25.0 264:23.0 265:53.0 269:302.0 270:80.0 271:28.0 274:1973.0 275:432.0 276:56.0 278:116.0 283:50.0 284:72.0 285:249.0 286:96.0 288:22.0 289:54.0 290:12.0 292:45.0 294:13.0 296:39.0 297:25.0 298:23.0 299:96.0 300:113.0 301:114.0 302:78.0 303:151.0 304:65.0 305:209.0 306:51.0 307:88.0 309:26.0 310:14.0 311:23.0 312:72.0 313:43.0 314:41.0 315:18.0 316:12.0 317:19.0 318:21.0 319:3357.0 320:887.0 321:437.0 322:81.0 323:22.0 327:146.0 330:24.0 332:42.0 333:1104.0 334:367.0 335:137.0 336:46.0 341:33.0 342:63.0 344:11.0 345:138.0 346:33.0 347:35.0 352:28.0 354:15.0 357:18.0 358:46.0 361:21.0 365:47.0 366:40.0 374:25.0 375:12.0 376:25.0 377:19.0 379:14.0 390:42.0 391:20.0 392:54.0 401:37.0 402:58.0 406:30.0 410:21.0 411:15.0 412:27.0 419:27.0 421:31.0 424:15.0 425:76.0 426:5.0 428:29.0 429:19.0 430:19.0 431:22.0 432:37.0 433:33.0 434:33.0 435:67.0 436:39.0 438:36.0 439:35.0 440:13.0 441:13.0 442:48.0 444:16.0 446:25.0 447:21.0 451:23.0 452:30.0 453:13.0 454:20.0 457:13.0 460:44.0 462:29.0 464:52.0 466:13.0 470:20.0 471:28.0 480:23.0 481:24.0 482:12.0 487:17.0 490:29.0 491:15.0 495:12.0 498:12.0,,,,143,386,233,467,3264,609,9772,17962,3504,1107,460,246,497,265,394,511,334,430,633,274
N-acetylaspartic acid,548028,158,4081,85:424.0 86:274.0 87:183.0 88:123.0 93:100.0 94:61.0 95:123.0 98:237.0 99:211.0 100:820.0 101:420.0 102:186.0 103:219.0 104:72.0 107:36.0 109:95.0 110:133.0 111:191.0 112:302.0 113:107.0 114:107.0 115:220.0 116:1962.0 117:4292.0 118:543.0 119:205.0 120:45.0 121:29.0 123:35.0 124:18.0 128:132.0 129:1942.0 130:860.0 131:1103.0 132:1033.0 133:678.0 134:131.0 135:58.0 137:52.0 138:25.0 139:83.0 141:46.0 142:642.0 143:109.0 144:1199.0 145:624.0 146:252.0 147:1572.0 148:266.0 149:297.0 151:35.0 155:93.0 156:56.0 157:132.0 158:3465.0 159:580.0 160:1711.0 161:203.0 162:102.0 163:31.0 166:17.0 167:26.0 170:34.0 171:110.0 172:201.0 173:129.0 174:83.0 179:19.0 184:139.0 185:132.0 186:262.0 187:147.0 201:162.0 202:982.0 203:136.0 204:70.0 207:49.0 214:212.0 215:44.0 216:38.0 217:182.0 222:28.0 227:15.0 228:17.0 229:99.0 230:19.0 232:51.0 233:19.0 234:40.0 235:17.0 236:14.0 242:21.0 245:363.0 246:110.0 247:42.0 251:20.0 253:25.0 254:20.0 255:19.0 257:566.0 258:149.0 259:66.0 262:25.0 263:36.0 265:28.0 266:28.0 271:16.0 272:24.0 273:14.0 274:14.0 275:127.0 276:121.0 279:26.0 283:20.0 285:18.0 287:39.0 292:20.0 297:17.0 298:16.0 300:31.0 304:317.0 309:24.0 311:29.0 319:21.0 321:12.0 326:19.0 327:27.0 328:17.0 329:21.0 331:14.0 332:24.0 335:39.0 338:13.0 342:20.0 344:20.0 345:12.0 346:20.0 348:16.0 350:21.0 351:22.0 354:35.0 356:22.0 357:25.0 359:21.0 360:22.0 361:30.0 362:28.0 363:17.0 367:14.0 369:32.0 370:21.0 374:31.0 377:32.0 378:26.0 380:24.0 382:30.0 386:17.0 389:13.0 390:19.0 395:19.0 397:26.0 399:21.0 403:19.0 405:20.0 407:29.0 409:37.0 428:32.0 432:28.0 436:23.0 437:38.0 443:18.0 444:13.0 447:26.0 449:24.0 450:22.0 451:30.0 452:20.0 455:34.0 459:41.0 468:31.0 473:35.0 477:20.0 486:20.0 488:23.0 491:13.0 497:26.0 500:15.0,C01042,65065,OTCCIMWXFLJLIA-BYPYZUCNSA-N,20925,39486,27807,18096,12671,13591,28353,20003,48300,34021,14406,13038,5968,4850,5474,25392,10081,10462,46201,21097
myristic acid,634414,285,127,85:1672.0 86:922.0 87:259.0 88:617.0 89:2301.0 90:194.0 91:565.0 93:1089.0 94:262.0 95:2947.0 96:479.0 97:1977.0 98:1752.0 99:1650.0 100:382.0 101:1406.0 104:452.0 105:1305.0 106:321.0 107:394.0 108:204.0 109:725.0 110:354.0 111:699.0 112:710.0 116:3547.0 117:55137.0 118:5160.0 119:1775.0 120:155.0 121:314.0 122:68.0 123:74.0 124:132.0 125:204.0 128:186.0 129:23236.0 130:2963.0 131:10163.0 132:11889.0 133:3977.0 134:251.0 135:196.0 137:213.0 142:380.0 143:1660.0 144:258.0 145:6827.0 146:1002.0 154:132.0 157:1595.0 158:190.0 159:829.0 160:108.0 165:86.0 167:466.0 168:55.0 171:571.0 172:167.0 173:1219.0 174:373.0 182:85.0 184:132.0 185:1121.0 186:96.0 187:483.0 188:195.0 190:289.0 194:89.0 195:15.0 197:77.0 199:354.0 200:238.0 201:1314.0 202:210.0 210:76.0 213:352.0 214:117.0 215:254.0 216:112.0 222:61.0 225:68.0 226:54.0 227:76.0 228:80.0 229:237.0 230:251.0 236:18.0 238:15.0 239:50.0 240:46.0 241:393.0 242:363.0 243:137.0 244:281.0 246:56.0 250:55.0 251:52.0 253:35.0 255:197.0 256:135.0 257:304.0 258:149.0 265:135.0 266:9.0 267:40.0 268:20.0 270:86.0 271:172.0 273:243.0 274:51.0 281:39.0 285:4066.0 286:965.0 287:455.0 288:81.0 289:46.0 292:47.0 302:41.0 306:80.0 313:35.0 314:11.0 315:14.0 316:113.0 321:192.0 322:27.0 325:23.0 327:25.0 329:41.0 330:45.0 334:24.0 337:8.0 338:30.0 339:17.0 344:39.0 346:67.0 347:84.0 359:31.0 368:8.0 377:45.0 385:12.0 390:23.0 391:18.0 393:30.0 403:17.0 405:18.0 439:24.0 441:22.0 461:23.0 466:59.0 467:34.0 469:28.0 491:18.0,C06424,11005,TUNFSRHWOTWDNC-UHFFFAOYSA-N,4311,4320,2093,1176,11022,6018,13313,7418,6040,5419,764,2041,888,437,781,4418,782,682,1414,173
myo-inositol,731021,305,24347,85:18.0 87:302.0 88:118.0 89:248.0 90:4.0 92:38.0 94:27.0 97:55.0 98:95.0 99:262.0 100:138.0 101:281.0 102:26.0 103:2005.0 104:329.0 105:137.0 107:121.0 108:50.0 109:101.0 110:52.0 111:293.0 112:95.0 113:237.0 114:92.0 115:34.0 116:48.0 117:1103.0 118:43.0 119:114.0 120:67.0 121:65.0 126:63.0 127:302.0 128:177.0 129:2516.0 130:107.0 131:804.0 132:51.0 133:1882.0 134:82.0 136:2.0 139:1.0 140:48.0 141:71.0 142:44.0 143:662.0 144:88.0 145:54.0 147:6775.0 148:1254.0 150:295.0 151:27.0 153:105.0 155:105.0 157:589.0 158:267.0 159:41.0 161:226.0 165:37.0 167:44.0 168:22.0 170:1.0 171:88.0 172:15.0 173:71.0 175:6.0 177:72.0 178:55.0 179:12.0 183:111.0 184:29.0 186:67.0 187:65.0 189:778.0 190:102.0 191:2938.0 192:464.0 193:329.0 194:13.0 196:19.0 201:46.0 202:13.0 203:226.0 204:388.0 205:898.0 206:199.0 207:358.0 208:77.0 212:2.0 215:168.0 217:5312.0 218:1150.0 219:238.0 220:91.0 221:651.0 222:160.0 223:128.0 224:31.0 227:133.0 228:35.0 229:206.0 230:87.0 231:184.0 232:57.0 233:12.0 237:16.0 242:13.0 244:30.0 246:95.0 247:2.0 249:21.0 250:10.0 253:2.0 255:94.0 258:16.0 260:36.0 261:2.0 263:57.0 265:799.0 266:256.0 267:97.0 268:5.0 269:18.0 272:27.0 277:216.0 278:69.0 279:37.0 282:27.0 285:2.0 291:142.0 292:135.0 293:65.0 303:2.0 304:40.0 305:2233.0 306:756.0 307:447.0 308:33.0 309:24.0 317:17.0 318:1442.0 319:403.0 320:340.0 321:9.0 322:145.0 323:50.0 324:30.0 325:12.0 329:5.0 331:73.0 332:32.0 333:38.0 335:19.0 343:49.0 344:71.0 345:101.0 346:3.0 347:8.0 348:33.0 351:3.0 364:10.0 365:17.0 367:71.0 368:11.0 369:15.0 391:5.0 393:42.0 395:2.0 398:3.0 408:6.0 409:45.0 413:8.0 419:165.0 420:48.0 421:51.0 422:105.0 423:68.0 432:157.0 433:117.0 434:111.0 442:8.0 453:18.0 462:6.0 475:5.0 488:3.0 495:27.0,C00137,892,CDAISMWEOUEBRE-UHFFFAOYSA-N,728,1703,473,723,5156,6475,6492,5266,4548,10012,1515,1497,109179,625,148423,369173,156446,156098,73001,79658
mucic acid,709842,333,6426,85:27.0 88:2.0 89:28.0 90:101.0 93:21.0 95:66.0 99:171.0 101:153.0 102:448.0 103:1679.0 104:125.0 105:13.0 106:2.0 107:23.0 110:36.0 111:100.0 115:17.0 117:651.0 118:112.0 121:8.0 124:1.0 128:77.0 129:1082.0 130:312.0 131:424.0 133:1205.0 134:12.0 135:82.0 136:4.0 137:3.0 139:2.0 140:41.0 141:17.0 142:106.0 143:1480.0 144:111.0 145:32.0 146:17.0 147:6387.0 148:679.0 149:640.0 150:1.0 152:3.0 153:14.0 154:2.0 155:37.0 157:198.0 158:5.0 159:40.0 160:83.0 162:12.0 163:68.0 165:8.0 167:28.0 168:22.0 169:9.0 171:341.0 172:70.0 173:123.0 175:1.0 176:22.0 179:10.0 180:2.0 182:10.0 184:31.0 185:1.0 186:4.0 189:1091.0 190:192.0 191:554.0 192:20.0 193:1.0 195:5.0 196:20.0 199:36.0 200:55.0 201:66.0 202:10.0 203:1.0 204:242.0 205:263.0 206:10.0 207:146.0 209:17.0 211:165.0 212:2.0 215:226.0 217:2741.0 218:553.0 219:686.0 220:122.0 221:689.0 222:110.0 223:9.0 224:8.0 226:2.0 227:6.0 228:21.0 229:203.0 230:37.0 231:63.0 232:76.0 233:33.0 239:17.0 241:13.0 242:7.0 243:12.0 245:36.0 246:33.0 248:48.0 249:74.0 250:47.0 251:4.0 257:333.0 258:65.0 259:11.0 261:151.0 262:100.0 263:1.0 265:30.0 266:1.0 267:30.0 268:21.0 271:60.0 273:45.0 274:74.0 275:13.0 277:366.0 278:153.0 279:84.0 281:2.0 282:3.0 288:29.0 289:6.0 290:13.0 291:103.0 292:1364.0 293:454.0 294:186.0 295:31.0 297:3.0 299:2.0 300:1.0 303:131.0 304:19.0 305:648.0 306:188.0 307:198.0 308:4.0 310:10.0 311:62.0 313:3.0 316:18.0 317:9.0 319:61.0 320:55.0 321:94.0 322:26.0 323:1.0 324:2.0 326:14.0 331:27.0 332:77.0 333:3001.0 334:1049.0 335:422.0 336:109.0 341:2.0 344:56.0 345:94.0 346:25.0 347:98.0 348:29.0 353:33.0 359:1.0 361:19.0 362:13.0 367:12.0 373:68.0 392:3.0 393:13.0 398:8.0 401:2.0 402:16.0 417:16.0 419:29.0 423:56.0 435:3.0 436:2.0 437:101.0 438:65.0 439:54.0 440:1.0 447:148.0 448:14.0 449:12.0 461:22.0 462:9.0 466:3.0 468:5.0 481:1.0,C00879,3037582,DSLZVSRJTYRBFB-DUHBMQHGSA-N,165,212,165,188,176,220,149,206,175,171,232,180,226,195,247,2475,254,276,5039,932
monomyristin,838305,343,97325,85:2267.0 86:155.0 87:266.0 88:191.0 89:1079.0 90:93.0 93:174.0 94:140.0 95:2721.0 96:151.0 97:1617.0 98:472.0 99:467.0 100:29.0 101:4826.0 102:358.0 103:3998.0 104:229.0 105:244.0 107:108.0 109:1496.0 111:983.0 112:118.0 113:245.0 115:330.0 116:2438.0 117:3520.0 118:294.0 119:216.0 121:96.0 123:657.0 125:76.0 128:28.0 129:4386.0 130:725.0 131:2022.0 132:732.0 133:2276.0 134:181.0 135:134.0 137:256.0 145:1464.0 146:417.0 147:8808.0 148:1061.0 149:936.0 150:58.0 151:79.0 153:13.0 159:64.0 161:41.0 163:99.0 164:31.0 173:19.0 175:278.0 176:56.0 187:340.0 188:164.0 201:157.0 203:2189.0 204:309.0 205:1163.0 206:153.0 211:2815.0 212:280.0 218:167.0 219:80.0 243:73.0 257:27.0 285:211.0 286:68.0 301:14.0 342:56.0 343:4558.0 344:1674.0 345:354.0 431:153.0 432:20.0,,79050,DCBSHORRWZKAKO-UHFFFAOYSA-N,648,1297,761,465,1750,843,2169,814,1833,796,408,474,317,224,173,282,205,200,321,219
methylhexose nist,616058,204,16692,85:494.0 86:123.0 87:501.0 89:4661.0 90:281.0 93:87.0 94:97.0 95:53.0 96:37.0 97:94.0 99:347.0 100:131.0 101:1379.0 102:249.0 103:4316.0 104:358.0 105:406.0 106:9.0 107:129.0 109:40.0 111:123.0 112:39.0 113:225.0 115:500.0 116:1349.0 117:2783.0 118:213.0 119:753.0 120:95.0 121:96.0 123:26.0 125:38.0 126:5.0 128:55.0 129:6069.0 130:761.0 131:2545.0 132:333.0 133:10959.0 134:1419.0 135:786.0 141:8.0 142:173.0 143:1439.0 144:140.0 145:239.0 146:808.0 147:7978.0 148:951.0 149:420.0 150:136.0 151:172.0 152:10.0 153:35.0 154:19.0 155:255.0 156:33.0 157:607.0 159:835.0 160:106.0 161:46.0 162:113.0 163:398.0 164:83.0 165:37.0 167:31.0 169:566.0 170:56.0 171:172.0 173:49.0 174:52.0 175:209.0 177:173.0 179:36.0 180:24.0 182:56.0 184:38.0 189:2292.0 190:410.0 191:1071.0 192:171.0 195:62.0 197:55.0 199:40.0 201:31.0 202:128.0 203:902.0 204:23486.0 205:5222.0 206:2031.0 207:534.0 213:39.0 215:167.0 217:5572.0 218:1272.0 219:468.0 220:104.0 221:29.0 223:89.0 229:20.0 230:24.0 231:285.0 233:81.0 234:67.0 239:34.0 241:4.0 243:457.0 244:30.0 245:97.0 247:178.0 250:6.0 254:102.0 255:16.0 259:9.0 260:63.0 261:63.0 262:1.0 265:22.0 271:158.0 274:44.0 276:50.0 281:105.0 287:30.0 288:28.0 289:46.0 290:225.0 291:196.0 292:30.0 303:62.0 305:366.0 306:90.0 317:97.0 320:50.0 321:10.0 331:56.0 332:11.0 333:110.0 335:3.0 336:2.0 345:30.0 349:1.0 355:22.0 357:8.0 361:117.0 362:83.0 363:91.0 364:74.0 369:93.0 370:16.0 374:37.0 376:40.0 377:56.0 408:8.0 411:2.0 415:5.0 422:8.0 430:17.0 450:6.0 461:41.0 469:9.0 491:4.0 496:17.0,,560150,QRAXLHLYZJCAKB-UHFFFAOYSA-N,616,5099,391,1337,3026,14080,532,3584,4416,1485,1277,527,613,428,740,4123,622,667,1539,696
methionine sulfoxide,637588,128,1678,85:111.0 86:364.0 88:603.0 89:480.0 90:1509.0 91:197.0 92:84.0 93:154.0 95:15.0 97:671.0 98:290.0 99:172.0 100:3967.0 101:724.0 102:1925.0 103:992.0 104:302.0 105:398.0 108:181.0 110:1218.0 111:125.0 112:950.0 113:82.0 114:1237.0 115:308.0 116:243.0 117:622.0 118:349.0 119:370.0 120:31.0 126:441.0 127:60.0 128:36136.0 129:5558.0 130:2232.0 131:472.0 132:667.0 133:2030.0 134:1330.0 136:77.0 138:1.0 140:9884.0 141:638.0 143:55.0 144:505.0 146:380.0 147:4820.0 148:757.0 149:610.0 150:71.0 151:84.0 157:49.0 158:144.0 159:352.0 160:1359.0 161:311.0 162:266.0 163:247.0 164:45.0 169:14.0 171:3.0 172:234.0 173:91.0 174:5.0 175:42.0 176:149.0 177:86.0 178:109.0 183:7.0 184:291.0 185:19.0 186:113.0 188:427.0 189:86.0 190:4.0 191:349.0 193:3.0 201:27.0 202:2187.0 203:476.0 204:164.0 205:152.0 206:114.0 207:83.0 213:14.0 216:58.0 217:555.0 218:1713.0 219:444.0 220:125.0 221:79.0 222:28.0 227:1.0 228:68.0 229:113.0 230:7.0 231:13.0 232:170.0 233:83.0 234:24.0 243:124.0 244:54.0 245:34.0 246:45.0 247:186.0 248:830.0 249:237.0 250:91.0 254:1.0 256:7.0 257:16.0 258:52.0 260:292.0 261:47.0 262:1.0 265:208.0 276:202.0 277:12.0 278:632.0 279:82.0 280:88.0 285:4.0 299:5.0 300:46.0 301:7690.0 302:1276.0 303:801.0 304:95.0 305:194.0 318:126.0 319:1.0 336:23.0 343:2.0 348:23.0 359:1.0 360:7.0 375:185.0 377:26.0 413:14.0 418:110.0 419:14.0 437:28.0 473:12.0,C02989,158980,QEFRNWWLZKMPFJ-YGVKFDHGSA-N,9611,14799,2349,2286,33801,17796,65360,36762,20838,10354,1827,3424,2584,1916,2390,39385,2485,2610,12261,2266
methionine,483560,176,45,86:209.0 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,FFEARJCKVFRZRR-BYPYZUCNSA-N,18740,31797,11018,9506,38784,35524,39890,61161,31341,18656,7089,6530,9453,2571,5510,25397,3680,4431,15895,4399
methanolphosphate,289520,241,5393,91:189.0 98:118.0 99:213.0 109:13.0 110:42.0 115:116.0 117:125.0 118:94.0 119:81.0 121:107.0 122:6.0 123:105.0 130:13.0 133:646.0 134:53.0 135:408.0 136:125.0 137:176.0 143:34.0 144:4.0 151:78.0 158:18.0 160:2.0 163:856.0 164:67.0 165:58.0 167:92.0 168:16.0 181:147.0 184:128.0 195:233.0 198:4.0 210:1.0 211:438.0 212:72.0 213:19.0 225:3.0 228:46.0 239:1.0 241:2338.0 242:433.0 243:249.0 244:9.0 256:169.0 257:14.0 282:5.0 301:9.0 308:8.0 313:2.0 385:2.0 396:4.0 461:16.0,,13130,CAAULPUQFIIOTL-UHFFFAOYSA-N,471,493,256,489,575,646,661,2698,567,682,558,869,173,245,259,847,185,206,254,183
melibiose,988497,361,4730,87:30.0 88:14.0 89:775.0 90:43.0 96:163.0 99:91.0 100:296.0 101:841.0 102:257.0 103:3880.0 104:223.0 105:205.0 109:146.0 113:136.0 114:48.0 116:215.0 117:1162.0 118:29.0 125:3.0 129:2842.0 130:613.0 131:483.0 133:1258.0 134:133.0 135:18.0 137:14.0 138:29.0 139:3.0 140:57.0 141:70.0 142:53.0 143:226.0 145:162.0 147:3683.0 148:373.0 149:291.0 150:67.0 153:61.0 154:4.0 155:526.0 156:117.0 157:540.0 158:101.0 159:47.0 160:1690.0 161:781.0 162:278.0 163:389.0 164:70.0 165:91.0 169:1889.0 170:278.0 171:145.0 172:61.0 173:100.0 176:31.0 177:71.0 179:124.0 180:16.0 181:34.0 183:32.0 186:4.0 187:56.0 189:436.0 190:7.0 191:1183.0 192:239.0 193:124.0 195:89.0 197:97.0 198:12.0 201:163.0 202:211.0 203:325.0 204:5949.0 205:1345.0 206:592.0 207:485.0 208:329.0 209:154.0 210:22.0 212:34.0 214:45.0 215:17.0 216:3.0 217:2929.0 218:791.0 219:477.0 220:7.0 224:80.0 225:31.0 227:26.0 229:69.0 230:122.0 231:221.0 232:116.0 233:111.0 234:57.0 235:108.0 236:7.0 237:115.0 239:129.0 240:14.0 243:750.0 244:167.0 245:251.0 246:97.0 247:145.0 248:12.0 249:174.0 250:7.0 251:101.0 253:113.0 254:47.0 255:17.0 256:46.0 257:77.0 259:70.0 261:9.0 263:41.0 264:5.0 265:71.0 266:44.0 268:64.0 271:584.0 272:150.0 273:302.0 274:65.0 275:121.0 276:46.0 277:125.0 278:19.0 279:85.0 280:72.0 281:472.0 283:40.0 284:66.0 285:16.0 287:11.0 290:25.0 291:99.0 292:5.0 293:42.0 295:96.0 296:89.0 297:74.0 298:2.0 300:54.0 303:11.0 305:210.0 306:149.0 307:183.0 309:9.0 312:50.0 313:60.0 314:1.0 317:41.0 318:69.0 319:379.0 320:236.0 321:76.0 322:2.0 323:75.0 324:34.0 326:111.0 327:2.0 328:186.0 329:121.0 330:20.0 331:202.0 332:106.0 333:27.0 334:22.0 335:12.0 336:4.0 338:32.0 340:40.0 341:88.0 342:134.0 343:114.0 346:19.0 347:25.0 349:19.0 353:19.0 354:19.0 355:35.0 356:109.0 357:129.0 358:76.0 360:47.0 361:2637.0 362:939.0 363:548.0 364:136.0 365:17.0 366:7.0 368:53.0 369:9.0 371:45.0 372:15.0 374:13.0 382:7.0 385:50.0 386:13.0 387:1.0 397:18.0 399:15.0 401:51.0 404:9.0 413:17.0 414:50.0 415:220.0 416:57.0 417:3.0 418:19.0 419:32.0 420:3.0 421:10.0 429:153.0 430:3.0 431:44.0 443:18.0 448:11.0 450:22.0 451:53.0 452:47.0 453:3.0 470:9.0 474:25.0 475:64.0 476:9.0 477:62.0 481:1.0 488:38.0 489:53.0 490:10.0 491:135.0,C05402,440658,DLRVVLDZNNYCBX-ABXHMFFYSA-N,195,205,168,158,383,464,474,554,327,424,249,193,920,283,680,6689,512,723,2663,209
melezitose,1146704,361,16664,85:2882.0 86:356.0 87:1453.0 88:717.0 89:2493.0 90:260.0 94:146.0 95:522.0 96:449.0 97:1475.0 98:147.0 99:1815.0 100:130.0 101:4813.0 102:1108.0 103:59199.0 104:5259.0 105:2332.0 106:118.0 108:29.0 109:3609.0 110:126.0 111:1525.0 112:231.0 113:2422.0 114:582.0 115:2067.0 116:2464.0 117:12895.0 118:1303.0 119:1375.0 120:19.0 121:68.0 123:27.0 125:469.0 126:29.0 127:1837.0 128:405.0 129:57490.0 130:6758.0 131:7719.0 132:1136.0 133:10410.0 134:1065.0 135:970.0 136:144.0 137:56.0 139:1283.0 140:371.0 141:1449.0 142:1960.0 143:9038.0 144:1068.0 145:2592.0 146:379.0 147:52410.0 148:8339.0 149:6831.0 150:806.0 151:697.0 152:135.0 153:1613.0 154:475.0 155:9749.0 156:1552.0 157:9544.0 158:1164.0 159:1350.0 160:98.0 161:1609.0 162:160.0 163:1426.0 164:192.0 165:163.0 166:132.0 167:773.0 168:83.0 169:38080.0 170:5755.0 171:4076.0 172:414.0 173:2115.0 174:375.0 175:1235.0 176:228.0 177:1453.0 178:156.0 179:253.0 180:69.0 181:1017.0 182:473.0 183:2982.0 184:570.0 185:615.0 186:57.0 187:537.0 188:109.0 189:10384.0 190:2641.0 191:19488.0 192:3548.0 193:1740.0 194:128.0 195:427.0 196:101.0 197:468.0 198:90.0 199:1485.0 200:252.0 201:678.0 202:384.0 203:3774.0 204:71887.0 205:18576.0 206:6935.0 207:1046.0 208:255.0 209:388.0 211:123.0 212:8.0 213:115.0 215:1818.0 216:596.0 217:54012.0 218:12434.0 219:5882.0 220:1008.0 221:2391.0 222:643.0 223:614.0 224:95.0 225:141.0 226:1.0 227:992.0 228:215.0 229:3205.0 230:6263.0 231:4755.0 232:1547.0 233:1894.0 234:607.0 235:387.0 236:33.0 237:97.0 238:31.0 239:199.0 241:1109.0 242:389.0 243:13574.0 244:3193.0 245:3755.0 246:777.0 247:2649.0 248:474.0 249:347.0 250:85.0 251:237.0 252:77.0 253:319.0 254:91.0 255:605.0 256:208.0 257:1959.0 258:580.0 259:1372.0 260:387.0 261:203.0 262:99.0 263:606.0 264:129.0 265:593.0 266:225.0 267:32.0 268:40.0 269:141.0 270:355.0 271:22099.0 272:5550.0 273:3465.0 274:627.0 275:684.0 276:181.0 277:243.0 278:231.0 279:256.0 280:55.0 282:284.0 283:184.0 284:85.0 285:134.0 286:1.0 287:228.0 288:141.0 289:735.0 290:186.0 291:1916.0 292:717.0 293:618.0 294:195.0 295:208.0 296:11.0 297:102.0 298:47.0 301:321.0 302:71.0 303:225.0 304:353.0 305:2430.0 306:1647.0 307:654.0 308:225.0 309:79.0 310:45.0 311:23.0 312:31.0 313:146.0 314:3.0 315:57.0 316:9.0 317:1373.0 318:575.0 319:4153.0 320:1316.0 321:643.0 322:175.0 323:99.0 324:26.0 325:264.0 326:43.0 327:39.0 328:142.0 329:161.0 330:91.0 331:3493.0 332:1321.0 333:954.0 334:241.0 335:125.0 336:50.0 337:39.0 338:50.0 339:24.0 340:93.0 341:216.0 342:36.0 343:222.0 344:261.0 345:798.0 346:313.0 347:419.0 348:121.0 349:189.0 350:19.0 351:34.0 355:516.0 356:95.0 357:45.0 359:271.0 360:1648.0 361:56898.0 362:19927.0 363:9358.0 364:2199.0 365:651.0 366:186.0 367:37.0 368:39.0 369:123.0 370:14.0 371:68.0 372:39.0 373:61.0 374:42.0 377:214.0 378:87.0 379:140.0 381:14.0 383:67.0 384:7.0 385:87.0 386:14.0 387:58.0 388:12.0 391:53.0 392:29.0 393:448.0 394:149.0 395:52.0 397:26.0 398:34.0 399:32.0 401:182.0 402:105.0 403:127.0 404:44.0 405:69.0 406:77.0 407:143.0 408:53.0 409:13.0 413:13.0 415:94.0 417:99.0 418:37.0 419:7.0 420:10.0 421:1.0 422:1.0 423:14.0 428:1.0 429:98.0 430:30.0 433:48.0 434:29.0 435:194.0 436:80.0 437:193.0 438:95.0 439:89.0 440:9.0 441:40.0 443:7.0 445:29.0 448:4.0 449:8.0 450:221.0 451:2247.0 452:1104.0 453:481.0 454:133.0 459:33.0 460:8.0 461:42.0 462:33.0 463:43.0 464:27.0 467:19.0 468:14.0 469:45.0 470:4.0 471:8.0 472:1.0 473:65.0 474:33.0 475:104.0 476:67.0 477:55.0 479:47.0 480:9.0 488:37.0 489:102.0 490:81.0 491:100.0 493:2.0,C08243,92817,QWIZNVHXZXRPDR-WSCXOGSTSA-N,767,752,1061,1061,762,999,1329,749,2054,2199,633,820,609,438,373,4968,432,562,1170,251
maltotriose,1176972,361,22127,86:12.0 89:143.0 94:19.0 101:227.0 102:15.0 103:521.0 110:35.0 111:7.0 112:3.0 116:24.0 117:105.0 118:58.0 121:25.0 122:29.0 123:44.0 129:565.0 133:89.0 135:62.0 140:15.0 141:38.0 143:85.0 145:13.0 147:736.0 148:48.0 149:56.0 151:22.0 155:50.0 157:42.0 160:63.0 163:57.0 164:3.0 165:13.0 167:38.0 168:3.0 169:297.0 171:22.0 173:21.0 174:1.0 175:50.0 177:57.0 178:53.0 181:33.0 183:10.0 187:19.0 189:190.0 190:29.0 191:269.0 192:89.0 193:107.0 195:13.0 198:30.0 200:6.0 202:5.0 204:2900.0 205:776.0 206:283.0 207:269.0 209:15.0 210:46.0 217:794.0 218:153.0 219:55.0 221:63.0 222:51.0 223:24.0 224:1.0 230:10.0 231:45.0 233:3.0 234:6.0 237:33.0 239:31.0 243:132.0 244:6.0 248:7.0 249:26.0 250:23.0 251:36.0 252:3.0 254:29.0 261:11.0 265:26.0 266:19.0 268:7.0 271:132.0 272:9.0 273:7.0 274:3.0 277:7.0 278:13.0 279:7.0 281:94.0 282:62.0 283:33.0 291:3.0 293:11.0 295:53.0 296:11.0 297:7.0 298:7.0 302:5.0 303:9.0 305:56.0 306:26.0 307:33.0 308:15.0 309:5.0 315:1.0 317:5.0 319:24.0 321:14.0 322:33.0 323:10.0 324:19.0 326:33.0 327:6.0 328:62.0 332:10.0 339:3.0 340:14.0 341:62.0 342:24.0 343:31.0 345:5.0 346:42.0 349:14.0 350:5.0 355:29.0 360:9.0 361:415.0 362:130.0 363:63.0 364:15.0 365:9.0 369:10.0 371:15.0 372:5.0 375:13.0 378:34.0 380:19.0 381:114.0 382:41.0 383:15.0 387:19.0 390:7.0 394:12.0 396:3.0 398:15.0 400:39.0 406:1.0 408:15.0 412:12.0 413:20.0 416:26.0 418:17.0 419:12.0 422:7.0 424:31.0 425:11.0 427:3.0 429:22.0 431:5.0 433:3.0 434:6.0 436:10.0 437:9.0 440:3.0 444:5.0 448:24.0 451:35.0 452:1.0 453:7.0 459:7.0 462:31.0 465:7.0 466:3.0 468:20.0 470:6.0 471:39.0 476:7.0 477:7.0 480:6.0 481:17.0 485:7.0 491:9.0 493:15.0 499:28.0 500:15.0,C01835,439586,FYGDTMLNYKFZSV-DZOUCCHMSA-N,521,556,814,971,701,918,23137,972,384,858,490,328,722,512,509,697,7962,2064,587,692
maltose,946601,204,1979,85:18.0 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,GUBGYTABKSRVRQ-PICCSMPSSA-N,13109,25461,14539,23118,38858,34627,215463,53985,32223,24446,11430,5783,6490,4299,8918,26193,7496,6358,14226,4820
malonic acid,305372,233,16918,85:1026.0 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,OFOBLEOULBTSOW-UHFFFAOYSA-N,258,289,312,300,476,390,355,455,342,310,314,313,1018,509,794,3102,1695,1017,926,762
malic acid,463180,233,1391,85:66.0 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,BJEPYKJPYRNKOW-UHFFFAOYSA-N,1339,2701,2557,776,2549,3999,4084,6077,3665,4128,988,1563,785,593,1069,12215,1167,1262,9018,554
maleimide,245118,154,1743,85:294.0 86:375.0 87:61.0 88:60.0 92:7.0 93:188.0 94:171.0 96:191.0 97:130.0 99:129.0 100:1406.0 101:44.0 102:144.0 103:750.0 105:72.0 107:179.0 110:1243.0 111:89.0 114:287.0 115:459.0 116:31.0 117:256.0 126:37.0 127:659.0 128:781.0 130:926.0 131:244.0 133:167.0 134:886.0 135:5.0 141:1.0 144:9.0 146:57.0 147:1899.0 149:79.0 150:32.0 154:6151.0 155:630.0 156:263.0 157:17.0 160:56.0 167:18.0 168:5.0 169:26.0 174:58.0 184:406.0 187:80.0 188:53.0 190:183.0 191:64.0 201:20.0 218:40.0 219:68.0 226:2.0 229:3.0 265:23.0 283:2.0 330:19.0 350:7.0 370:3.0 392:2.0 467:2.0,C07272,10935,PEEHTFAAVSWFBL-UHFFFAOYSA-N,1519,8199,2431,2885,18087,17714,9706,18778,10903,7408,2424,2513,2975,1826,3043,49581,2693,1847,16675,4456
lyxose,541086,217,85112,85:155.0 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,SRBFZHDQGSBBOR-AGQMPKSLSA-N,9365,13053,3415,4870,28775,12473,20347,20553,6865,4842,1140,1168,1436,962,2087,8012,1352,1563,17479,7304
lyxitol,573587,217,233,85:649.0 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,HEBKCHPVOIAQTA-IMJSIDKUSA-N,3213,4457,2253,1804,11063,8536,619,9108,8516,7804,419,1832,20407,20459,19495,54757,12099,12058,193417,65644
lysine,663483,156,12,85:2755.0 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,KDXKERNSBIXSRK-YFKPBYRVSA-N,44183,69361,8306,8418,276401,89615,332151,347875,91971,83288,8189,21314,12444,16375,29050,505399,27165,12565,140989,32792
linolenic acid,780376,108,4704,85:8263.0 86:3076.0 87:2638.0 88:1997.0 89:7764.0 90:1581.0 91:88210.0 92:18165.0 93:106470.0 94:49681.0 95:90232.0 96:13310.0 97:12053.0 98:4717.0 99:6412.0 100:1262.0 101:3274.0 102:1160.0 103:5418.0 104:2581.0 105:34033.0 106:9798.0 107:47500.0 108:55116.0 109:22200.0 110:3750.0 111:4531.0 112:1209.0 113:1357.0 114:277.0 115:3868.0 116:10630.0 117:51242.0 118:6917.0 119:21073.0 120:8375.0 121:31307.0 122:19978.0 123:7843.0 124:1772.0 125:1926.0 126:296.0 127:1163.0 128:1880.0 129:68176.0 130:9951.0 131:31656.0 132:8470.0 133:15793.0 134:6165.0 135:23119.0 136:13484.0 137:3848.0 138:757.0 139:1054.0 140:358.0 141:1107.0 142:1294.0 143:7473.0 144:1560.0 145:24698.0 146:4094.0 147:11899.0 148:4131.0 149:18225.0 150:8709.0 151:2511.0 152:438.0 153:770.0 154:598.0 155:2182.0 156:773.0 157:5617.0 158:1371.0 159:6339.0 160:1479.0 161:5276.0 162:4166.0 163:8623.0 164:4161.0 165:1455.0 166:352.0 167:562.0 168:272.0 169:1712.0 170:690.0 171:5229.0 172:1348.0 173:9805.0 174:2568.0 175:3987.0 176:2518.0 177:3056.0 178:1949.0 179:641.0 180:240.0 181:769.0 182:412.0 183:1820.0 184:388.0 185:4180.0 186:871.0 187:3151.0 188:960.0 189:2315.0 190:1253.0 191:2984.0 192:2018.0 193:539.0 195:469.0 196:266.0 197:854.0 198:452.0 199:2435.0 200:658.0 201:2145.0 203:1406.0 204:2163.0 205:889.0 206:458.0 207:567.0 208:124.0 209:290.0 210:27.0 211:627.0 212:254.0 213:1413.0 214:532.0 215:765.0 216:480.0 217:1046.0 218:1538.0 219:468.0 220:85.0 223:394.0 224:208.0 225:467.0 226:220.0 227:1168.0 228:356.0 229:530.0 230:205.0 231:562.0 232:1027.0 233:339.0 234:72.0 235:278.0 236:101.0 237:463.0 238:135.0 239:552.0 240:97.0 241:991.0 242:399.0 243:839.0 244:321.0 245:148.0 246:94.0 247:190.0 248:46.0 249:813.0 250:115.0 251:363.0 252:217.0 253:452.0 254:162.0 255:1140.0 256:371.0 257:231.0 258:222.0 259:792.0 260:1325.0 261:348.0 262:154.0 263:863.0 264:297.0 265:597.0 266:339.0 267:179.0 268:183.0 269:233.0 270:134.0 271:128.0 273:66.0 274:15.0 275:60.0 277:792.0 278:290.0 279:1302.0 280:523.0 281:178.0 282:241.0 283:115.0 284:53.0 285:12.0 287:59.0 288:53.0 289:2.0 290:77.0 291:708.0 292:324.0 293:901.0 294:1360.0 295:559.0 296:198.0 298:119.0 300:23.0 302:55.0 304:49.0 305:848.0 306:426.0 307:1009.0 308:542.0 309:281.0 315:26.0 316:42.0 317:371.0 318:199.0 319:257.0 320:134.0 321:1145.0 322:515.0 323:222.0 324:54.0 325:77.0 326:39.0 327:81.0 328:48.0 329:67.0 331:11.0 333:967.0 334:487.0 335:7417.0 336:2728.0 337:1053.0 338:292.0 340:35.0 342:76.0 344:8.0 345:10.0 349:63.0 350:1385.0 351:529.0 352:101.0 357:5.0 369:58.0 370:42.0 373:38.0 378:28.0 379:5.0 386:17.0 388:12.0 389:25.0 391:43.0 392:17.0 393:38.0 406:43.0 415:31.0 419:1.0 420:4.0 421:2.0 439:10.0 453:4.0 454:226.0 455:41.0 456:16.0 457:2.0 460:29.0 461:1.0 462:22.0 476:53.0,C06427,5280934,DTOSIQBPPRVQHS-PDBXOOCHSA-N,5367,8553,13994,10433,21087,15324,10942,3384,8340,71,11262,6326,1761,3133,3313,4439,3103,1005,10082,3229
linoleic acid,777414,150,165,85:1534.0 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,OYHQOLUKZRVURQ-HZJYTTRNSA-N,10946,36897,13156,11242,52290,36699,64990,21504,46903,16067,12239,6467,5176,2905,3554,9097,2996,2485,11406,3435
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lactose,935640,191,4771,86:21.0 101:156.0 103:696.0 104:4.0 112:36.0 113:18.0 117:389.0 120:17.0 127:171.0 129:837.0 130:24.0 131:125.0 133:236.0 134:94.0 136:11.0 139:3.0 142:30.0 143:176.0 145:62.0 147:1082.0 149:89.0 155:83.0 156:15.0 157:174.0 161:41.0 163:79.0 164:25.0 165:133.0 169:298.0 170:49.0 175:41.0 177:87.0 178:2.0 179:60.0 187:10.0 189:327.0 190:4.0 191:1441.0 192:295.0 193:304.0 194:86.0 197:56.0 201:17.0 204:3376.0 205:765.0 206:359.0 207:483.0 208:167.0 210:80.0 211:73.0 215:43.0 217:1078.0 218:309.0 219:104.0 222:46.0 223:43.0 227:43.0 228:5.0 229:58.0 230:2.0 231:106.0 232:72.0 234:20.0 235:4.0 237:2.0 242:11.0 243:301.0 244:66.0 245:38.0 246:51.0 249:19.0 250:10.0 251:8.0 252:4.0 255:6.0 257:22.0 259:50.0 260:26.0 261:12.0 263:11.0 266:25.0 267:95.0 268:20.0 271:141.0 272:45.0 273:41.0 275:14.0 276:19.0 277:5.0 279:20.0 280:19.0 281:132.0 282:16.0 285:22.0 289:2.0 290:5.0 291:35.0 292:1.0 296:10.0 300:7.0 303:8.0 305:102.0 306:37.0 318:29.0 319:64.0 320:30.0 322:30.0 325:9.0 329:19.0 331:56.0 338:28.0 340:18.0 341:85.0 342:7.0 343:10.0 346:28.0 349:24.0 351:4.0 353:7.0 354:19.0 356:30.0 359:11.0 360:11.0 361:472.0 362:125.0 363:99.0 364:38.0 368:38.0 369:20.0 370:24.0 380:3.0 383:3.0 384:9.0 387:9.0 391:4.0 396:29.0 399:17.0 400:36.0 403:28.0 406:16.0 410:23.0 411:3.0 415:20.0 421:26.0 424:15.0 427:1.0 431:14.0 453:2.0 454:4.0 456:8.0 457:9.0 460:47.0 462:1.0 463:11.0 465:3.0 479:1.0 480:17.0 487:8.0 488:14.0 489:34.0 490:13.0 491:20.0 497:11.0,C00243,440995,GUBGYTABKSRVRQ-QKKXKWKRSA-N,2244,1492,833,1452,21816,15911,19455,9555,3505,3291,733,976,1225,538,929,15923,1171,845,1845,825
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lactitol,959541,361,62247,85:15165.0 86:3999.0 87:9771.0 88:6313.0 89:90957.0 90:7984.0 91:5304.0 92:614.0 93:862.0 94:1584.0 95:2674.0 96:1615.0 97:15793.0 98:2935.0 99:12184.0 100:25041.0 101:32274.0 102:16565.0 103:350649.0 104:34478.0 105:29796.0 106:4794.0 107:1805.0 108:900.0 109:11519.0 110:2403.0 111:9672.0 112:2642.0 113:15560.0 114:7078.0 115:12952.0 116:16047.0 117:175394.0 118:18910.0 119:17415.0 120:1844.0 121:1309.0 122:349.0 123:1058.0 124:692.0 125:2841.0 126:3313.0 127:11467.0 128:4553.0 129:196920.0 130:30323.0 131:50396.0 132:8354.0 133:103985.0 134:14024.0 135:9471.0 136:1335.0 137:788.0 138:1234.0 139:4865.0 140:2530.0 141:9059.0 142:8345.0 143:40405.0 144:6056.0 145:12866.0 146:2922.0 147:471515.0 148:75184.0 149:54704.0 150:6881.0 151:4197.0 152:2012.0 153:7011.0 154:3612.0 155:29245.0 156:7040.0 157:39439.0 158:7764.0 159:10227.0 160:66365.0 161:17357.0 162:4580.0 163:17182.0 164:2863.0 165:1924.0 166:1127.0 167:2815.0 168:3125.0 169:142746.0 170:23030.0 171:12508.0 172:5918.0 173:13036.0 174:5032.0 175:7884.0 176:1710.0 177:8679.0 178:4064.0 179:4487.0 180:2607.0 181:3144.0 182:1804.0 183:8491.0 184:1969.0 185:3434.0 186:5491.0 187:4287.0 188:2394.0 189:51721.0 190:13145.0 191:80580.0 192:15270.0 193:8099.0 194:1446.0 195:1758.0 196:3045.0 197:1946.0 198:1882.0 199:4213.0 200:2144.0 201:5840.0 202:2780.0 203:18894.0 204:400181.0 205:162259.0 206:50527.0 207:18641.0 208:3215.0 209:1309.0 210:3921.0 211:1692.0 212:909.0 213:880.0 214:2374.0 215:7428.0 216:4200.0 217:228193.0 218:53174.0 219:26785.0 220:5303.0 221:14376.0 222:3199.0 223:2358.0 224:652.0 225:611.0 226:892.0 227:4131.0 228:2913.0 229:18793.0 230:10159.0 231:23796.0 232:7905.0 233:22153.0 234:5588.0 235:8279.0 236:1715.0 237:1143.0 238:498.0 239:1091.0 240:1633.0 241:5469.0 242:3560.0 243:53324.0 244:14522.0 245:14839.0 246:5993.0 247:9551.0 248:2441.0 249:1669.0 250:599.0 251:405.0 252:546.0 253:652.0 254:832.0 255:2924.0 256:2134.0 257:5648.0 258:2150.0 259:8471.0 260:2653.0 261:2044.0 262:1835.0 263:1343.0 264:523.0 265:3181.0 266:919.0 267:750.0 268:5820.0 269:3287.0 270:3121.0 271:56113.0 272:14246.0 273:12759.0 274:5171.0 275:3698.0 276:1701.0 277:1542.0 278:1296.0 279:1174.0 280:300.0 281:312.0 282:414.0 283:916.0 284:743.0 285:873.0 286:1024.0 287:867.0 288:771.0 289:1313.0 290:726.0 291:6890.0 292:2359.0 293:1821.0 294:693.0 295:424.0 296:314.0 297:546.0 298:377.0 300:12378.0 301:3575.0 302:1872.0 303:1232.0 304:2714.0 305:10972.0 306:4078.0 307:5034.0 308:1454.0 309:842.0 310:525.0 311:396.0 312:310.0 313:588.0 314:600.0 315:576.0 316:611.0 317:4399.0 318:3604.0 319:48555.0 320:15884.0 321:8099.0 322:1941.0 323:589.0 325:223.0 326:178.0 327:393.0 328:718.0 329:542.0 330:834.0 331:13130.0 332:8298.0 333:4670.0 334:1732.0 335:1008.0 336:404.0 337:840.0 338:430.0 339:273.0 340:209.0 341:250.0 342:485.0 343:664.0 344:680.0 345:3966.0 346:2194.0 347:2087.0 348:835.0 349:673.0 350:298.0 351:208.0 352:125.0 353:140.0 354:123.0 355:140.0 356:122.0 357:399.0 358:853.0 359:1798.0 360:6392.0 361:255014.0 362:87272.0 363:43320.0 364:10605.0 365:3382.0 366:699.0 367:254.0 368:95.0 369:40.0 370:57.0 371:124.0 372:162.0 373:1924.0 374:1472.0 375:708.0 376:1620.0 377:896.0 378:527.0 379:592.0 380:248.0 381:218.0 382:89.0 383:115.0 384:128.0 385:320.0 386:342.0 387:263.0 388:270.0 389:536.0 390:5788.0 391:2341.0 392:1222.0 393:821.0 394:374.0 395:183.0 396:123.0 397:59.0 398:118.0 399:101.0 400:175.0 401:185.0 402:280.0 403:313.0 404:250.0 405:401.0 406:333.0 407:282.0 408:382.0 409:1038.0 410:484.0 411:297.0 412:169.0 413:134.0 414:85.0 415:248.0 416:152.0 417:154.0 418:156.0 419:226.0 420:225.0 421:509.0 422:380.0 423:263.0 424:121.0 425:141.0 426:128.0 427:552.0 428:355.0 429:259.0 430:134.0 431:156.0 432:260.0 433:352.0 434:316.0 435:999.0 436:573.0 437:441.0 438:216.0 439:136.0 440:82.0 441:87.0 442:95.0 443:82.0 444:80.0 445:107.0 446:125.0 447:128.0 448:401.0 449:483.0 450:1178.0 451:5184.0 452:2488.0 453:1301.0 454:543.0 455:179.0 456:126.0 457:56.0 458:67.0 459:116.0 460:141.0 461:117.0 462:226.0 463:1243.0 464:783.0 465:503.0 466:391.0 467:205.0 468:137.0 469:90.0 470:71.0 471:64.0 472:77.0 473:97.0 474:134.0 475:381.0 476:312.0 477:284.0 478:407.0 479:434.0 480:957.0 481:591.0 482:331.0 483:183.0 484:102.0 485:105.0 486:84.0 487:87.0 488:44.0 489:90.0 490:211.0 491:199.0 492:155.0 493:125.0 494:113.0 495:70.0 496:83.0 497:99.0 498:111.0 499:98.0 500:104.0,C13542,157355,VQHSOMBJVWLPSR-JVCRWLNRSA-N,995,5417,1179,4953,5193,2609,42477,3712,5191,2177,1705,1220,834,561,841,3607,1179,622,80903,26127
lactic acid,217657,191,80,85:8684.0 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,JVTAAEKCZFNVCJ-UHFFFAOYSA-N,28214,21346,9478,7570,23990,28721,19064,17592,11248,39261,83883,6058,12625,16665,71063,92944,7497,12475,61518,73253
lactamide,265698,232,415,85:1749.0 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,,94220,SXQFCVDSOLSHOQ-UHFFFAOYSA-N,206,237,242,167,148,187,170,175,253,479,200,224,249,195,209,175,168,190,266,257
isothreonic acid,489385,292,1679,85:304.0 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,C00639,151152,JPIJQSOTBSSVTP-GBXIJSLDSA-N,380,551,376,318,1628,1178,4211,1809,1029,678,441,353,2352,2197,2630,20115,2283,2527,6580,2603
isomaltose,983199,160,127715,87:1211.0 88:604.0 89:4249.0 90:267.0 91:161.0 92:118.0 93:181.0 94:152.0 95:320.0 96:360.0 97:526.0 98:240.0 100:1628.0 101:6670.0 102:1545.0 103:10592.0 104:885.0 105:2387.0 107:114.0 108:114.0 109:551.0 110:107.0 111:1453.0 112:323.0 113:908.0 115:449.0 116:1006.0 117:8267.0 118:577.0 119:1599.0 124:48.0 125:234.0 126:350.0 127:713.0 128:652.0 129:7394.0 130:2008.0 131:1916.0 132:620.0 133:6092.0 135:493.0 136:199.0 137:107.0 139:223.0 141:487.0 142:1161.0 143:2502.0 144:464.0 145:1433.0 146:447.0 147:28088.0 148:932.0 149:2751.0 150:302.0 152:84.0 153:312.0 154:174.0 155:1439.0 156:1653.0 157:582.0 158:235.0 160:7024.0 161:3299.0 162:581.0 163:1226.0 166:98.0 169:5473.0 170:852.0 172:272.0 173:483.0 174:1412.0 178:183.0 180:181.0 181:196.0 182:146.0 183:317.0 185:207.0 186:330.0 187:35.0 188:51.0 189:3466.0 190:769.0 191:2297.0 192:988.0 193:1287.0 198:179.0 201:438.0 202:197.0 203:1430.0 204:16821.0 205:4017.0 206:1956.0 207:3143.0 208:603.0 210:168.0 211:79.0 212:164.0 214:292.0 215:409.0 216:148.0 217:12202.0 218:718.0 219:1108.0 220:139.0 221:710.0 222:356.0 223:167.0 225:121.0 226:73.0 227:217.0 229:697.0 230:452.0 231:826.0 232:405.0 233:403.0 234:41.0 240:207.0 241:247.0 243:2022.0 244:682.0 245:474.0 246:232.0 249:227.0 250:118.0 252:68.0 259:338.0 260:88.0 262:138.0 263:54.0 264:59.0 265:224.0 266:33.0 268:143.0 270:69.0 271:2319.0 273:410.0 274:307.0 276:185.0 277:160.0 278:58.0 279:43.0 281:384.0 282:213.0 283:153.0 292:178.0 296:70.0 298:36.0 299:25.0 300:244.0 301:100.0 302:43.0 305:508.0 307:436.0 308:122.0 309:79.0 313:64.0 318:119.0 319:802.0 321:10.0 327:200.0 332:232.0 337:53.0 342:169.0 344:62.0 345:113.0 349:22.0 351:46.0 355:271.0 357:28.0 359:114.0 361:7286.0 362:862.0 363:1204.0 364:530.0 365:167.0 372:109.0 373:297.0 375:37.0 376:71.0 377:21.0 378:14.0 379:52.0 380:19.0 381:31.0 382:36.0 389:106.0 392:50.0 395:29.0 400:69.0 414:57.0 420:48.0 432:41.0 435:38.0 436:39.0 437:84.0 440:24.0 443:37.0 447:40.0 448:69.0 453:53.0 456:29.0 457:20.0 466:23.0 469:42.0 470:26.0 482:80.0 497:31.0,,,,232,435,304,391,539,331,681,451,720,578,448,334,348,233,539,37414,313,498,29114,1188
isoleucine,356963,158,105087,86:184.0 98:58.0 100:1091.0 102:429.0 114:236.0 115:76.0 116:279.0 128:77.0 129:53.0 132:232.0 133:377.0 142:104.0 146:55.0 147:1109.0 158:7294.0 159:1054.0 160:288.0 161:26.0 163:31.0 218:931.0 219:155.0 220:56.0 232:255.0 233:54.0 260:48.0,,,AGPKZVBTJJNPAG-WHFBIAKZSA-N,35146,43528,20568,16526,53642,49350,67036,80251,36333,24693,12437,10809,43976,6226,14495,82961,3913,9846,166513,19127
isohexonic acid,698302,333,100866,85:4516.0 86:1527.0 87:7244.0 88:3762.0 89:20346.0 90:1668.0 91:1161.0 92:385.0 93:296.0 94:327.0 95:832.0 96:443.0 97:3951.0 98:678.0 99:5414.0 100:1202.0 101:19281.0 102:19463.0 103:145699.0 104:14299.0 105:7979.0 106:535.0 107:1368.0 108:238.0 109:357.0 110:174.0 111:2060.0 112:443.0 113:4047.0 114:728.0 115:6155.0 116:5400.0 117:71550.0 118:7479.0 119:7784.0 120:708.0 121:457.0 122:71.0 123:259.0 124:139.0 125:757.0 126:430.0 127:2683.0 128:684.0 129:52214.0 130:14079.0 131:28017.0 132:4539.0 133:52707.0 134:6969.0 135:4442.0 136:377.0 137:346.0 138:125.0 139:271.0 140:260.0 141:1695.0 142:1224.0 143:32451.0 144:3975.0 145:3735.0 146:863.0 147:302515.0 148:46818.0 149:31672.0 150:3062.0 151:1525.0 152:206.0 153:1863.0 154:434.0 155:1006.0 156:587.0 157:22594.0 158:2634.0 159:2454.0 160:362.0 161:1900.0 162:418.0 163:2712.0 164:457.0 165:327.0 166:113.0 167:150.0 168:119.0 169:5145.0 170:908.0 171:5586.0 172:759.0 173:1532.0 174:375.0 175:4617.0 176:853.0 177:2120.0 178:399.0 179:310.0 180:151.0 181:215.0 182:136.0 183:338.0 184:206.0 185:555.0 186:204.0 187:564.0 188:221.0 189:35656.0 190:9154.0 191:17814.0 192:2971.0 193:1738.0 194:299.0 195:122.0 196:119.0 197:2601.0 198:397.0 199:356.0 200:149.0 201:1292.0 202:588.0 203:2636.0 204:27189.0 205:62463.0 206:13493.0 207:10555.0 208:1621.0 209:782.0 210:195.0 211:140.0 212:65.0 213:254.0 214:217.0 215:1288.0 216:592.0 217:77350.0 218:16976.0 219:13477.0 220:4181.0 221:13929.0 222:3071.0 223:1629.0 224:365.0 225:243.0 226:108.0 227:822.0 228:251.0 229:7050.0 230:1931.0 231:3220.0 232:1037.0 233:636.0 234:181.0 235:218.0 236:180.0 237:145.0 238:181.0 239:101.0 240:134.0 241:960.0 242:356.0 243:1933.0 244:806.0 245:4473.0 246:1083.0 247:1020.0 248:298.0 249:246.0 250:109.0 251:176.0 252:70.0 253:133.0 254:104.0 255:170.0 256:85.0 257:713.0 258:232.0 259:933.0 260:282.0 261:281.0 262:104.0 263:504.0 264:254.0 265:917.0 266:344.0 267:231.0 268:76.0 269:1304.0 270:386.0 271:745.0 272:244.0 273:317.0 274:40.0 275:82.0 276:175.0 277:10637.0 278:3741.0 279:1964.0 280:526.0 281:221.0 282:24.0 283:81.0 284:43.0 285:116.0 286:61.0 287:165.0 288:117.0 289:226.0 290:171.0 291:5313.0 292:43850.0 293:14631.0 294:6640.0 295:1458.0 296:362.0 297:73.0 298:23.0 299:75.0 300:36.0 301:151.0 303:355.0 304:839.0 305:27544.0 306:10022.0 307:9312.0 308:2495.0 309:988.0 310:155.0 311:87.0 312:57.0 313:39.0 314:89.0 315:995.0 316:460.0 317:797.0 318:1072.0 319:27789.0 320:9253.0 321:5902.0 322:1471.0 323:485.0 324:120.0 325:103.0 326:61.0 329:65.0 330:181.0 331:2892.0 332:2166.0 333:39868.0 334:14092.0 335:6491.0 336:1490.0 337:282.0 338:139.0 339:62.0 340:62.0 342:56.0 343:613.0 344:347.0 345:2653.0 346:879.0 347:640.0 348:245.0 349:67.0 351:178.0 352:75.0 354:78.0 355:44.0 356:39.0 357:78.0 358:367.0 359:7197.0 360:2732.0 361:1246.0 362:338.0 363:114.0 365:25.0 366:98.0 367:193.0 368:110.0 370:46.0 375:39.0 378:108.0 379:689.0 380:436.0 381:115.0 382:91.0 384:67.0 389:335.0 390:277.0 391:173.0 392:194.0 393:732.0 394:692.0 395:415.0 396:167.0 397:115.0 398:24.0 399:64.0 403:61.0 404:106.0 405:873.0 406:875.0 407:860.0 408:384.0 409:233.0 410:52.0 411:83.0 412:39.0 413:39.0 415:42.0 417:42.0 419:109.0 421:206.0 422:364.0 423:2672.0 424:1437.0 425:733.0 426:231.0 432:442.0 433:4846.0 434:2906.0 435:3989.0 436:1877.0 437:861.0 438:314.0 439:130.0 441:28.0 442:33.0 443:20.0 447:126.0 448:176.0 449:183.0 450:81.0 451:44.0 452:68.0 457:45.0 458:35.0 459:46.0 462:39.0 463:34.0 465:38.0 466:39.0 467:102.0 468:43.0 469:76.0 471:26.0 473:60.0 474:50.0 478:39.0 481:30.0 482:49.0 483:20.0 484:33.0 485:44.0 486:31.0 491:37.0 493:103.0 494:135.0 495:114.0 496:71.0 497:41.0 498:44.0,,604,RGHNJXZEOKUKBD-UHFFFAOYSA-N,218,89,191,171,61,371,651,30,349,401,215,214,4888,4500,7982,72488,5244,6269,27831,944
inositol-4-monophosphate,845976,315,4759,100:40.0 104:35.0 107:57.0 113:34.0 117:5.0 128:7.0 129:318.0 133:192.0 137:66.0 142:185.0 143:288.0 144:3.0 147:3716.0 148:705.0 150:3.0 151:84.0 153:82.0 155:66.0 156:40.0 158:31.0 159:5.0 163:11.0 164:91.0 166:55.0 167:35.0 168:65.0 169:49.0 173:33.0 177:50.0 178:26.0 180:12.0 181:79.0 182:9.0 183:29.0 189:11.0 190:133.0 191:543.0 192:52.0 194:70.0 195:10.0 196:25.0 201:25.0 207:133.0 209:68.0 211:490.0 212:79.0 213:19.0 214:48.0 215:71.0 216:35.0 217:1170.0 218:327.0 221:126.0 222:38.0 224:15.0 225:180.0 226:7.0 227:127.0 228:39.0 229:66.0 230:193.0 231:29.0 236:58.0 237:49.0 239:45.0 240:38.0 241:5.0 243:323.0 244:15.0 245:84.0 246:139.0 253:20.0 254:6.0 255:162.0 256:81.0 258:39.0 261:24.0 264:18.0 265:118.0 266:36.0 268:3.0 269:26.0 270:53.0 272:9.0 273:1.0 274:6.0 277:7.0 278:7.0 281:72.0 282:31.0 283:37.0 285:79.0 286:47.0 287:27.0 288:15.0 289:13.0 291:49.0 292:24.0 293:18.0 294:13.0 295:23.0 297:52.0 298:63.0 299:2637.0 300:834.0 301:353.0 302:86.0 303:23.0 304:53.0 305:215.0 306:40.0 307:48.0 308:38.0 309:6.0 313:82.0 314:62.0 315:2011.0 316:590.0 317:361.0 318:2102.0 319:684.0 320:271.0 321:104.0 322:25.0 324:14.0 325:15.0 329:11.0 330:26.0 331:31.0 332:15.0 333:13.0 334:23.0 340:5.0 341:30.0 342:50.0 343:182.0 344:98.0 345:138.0 346:41.0 347:34.0 348:24.0 349:19.0 352:23.0 354:6.0 355:70.0 356:46.0 357:79.0 358:31.0 359:31.0 360:38.0 367:12.0 368:6.0 369:54.0 370:10.0 371:3.0 372:18.0 373:114.0 374:72.0 375:71.0 383:10.0 385:24.0 386:86.0 387:796.0 388:329.0 389:501.0 390:208.0 391:142.0 392:43.0 393:5.0 394:12.0 398:15.0 401:15.0 406:6.0 407:10.0 409:6.0 416:42.0 417:33.0 418:59.0 419:49.0 420:27.0 424:24.0 426:3.0 429:69.0 430:44.0 431:34.0 432:116.0 433:163.0 434:65.0 435:66.0 436:17.0 440:22.0 441:25.0 442:9.0 443:30.0 445:9.0 446:34.0 448:35.0 450:37.0 451:27.0 453:12.0 454:21.0 455:31.0 456:23.0 457:22.0 459:13.0 460:20.0 462:23.0 465:6.0 466:7.0 467:13.0 468:14.0 470:109.0 471:68.0 472:53.0 475:15.0 476:7.0 480:24.0 483:3.0 486:6.0 489:10.0 492:13.0 493:7.0 494:14.0 500:7.0,C03546,440043,INAPMGSXUVUWAF-GFWFORPUSA-N,1382,1632,350,768,19511,4152,10112,12411,3618,4693,297,976,530,478,927,12788,717,1280,916,174
inosine,897184,230,1728,85:163.0 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,UGQMRVRMYYASKQ-KQYNXXCUSA-N,1507,3134,1123,1207,7613,4524,18228,15473,24623,446,5151,2140,403,253,544,1539,428,531,1821,854
indole-3-lactate,764586,202,724,88:69.0 93:61.0 95:49.0 102:117.0 104:35.0 109:35.0 112:18.0 116:72.0 117:141.0 119:48.0 124:41.0 129:278.0 133:172.0 135:26.0 136:22.0 137:31.0 140:24.0 142:37.0 143:39.0 144:38.0 145:47.0 147:362.0 148:87.0 149:117.0 151:18.0 156:56.0 158:20.0 160:37.0 162:39.0 164:15.0 165:27.0 169:26.0 170:56.0 173:22.0 181:25.0 182:31.0 183:24.0 184:33.0 185:30.0 186:21.0 188:34.0 194:24.0 195:23.0 200:39.0 202:2957.0 203:478.0 204:218.0 214:31.0 217:41.0 220:30.0 242:32.0 252:20.0 260:18.0 272:22.0 300:18.0 301:20.0 303:17.0 311:13.0 325:17.0 334:14.0 341:44.0 344:30.0 345:23.0 346:24.0 349:23.0 352:18.0 355:29.0 356:19.0 360:19.0 366:22.0 367:24.0 369:21.0 371:36.0 372:18.0 373:55.0 376:30.0 377:20.0 379:34.0 405:13.0 406:41.0 407:23.0 417:17.0 421:52.0 423:19.0 425:23.0 438:24.0 445:20.0 455:24.0 462:29.0 464:16.0 466:29.0 468:32.0 472:28.0 475:25.0 491:23.0 498:23.0,C02043,92904,XGILAAMKEQUXLS-UHFFFAOYSA-N,4219,4139,2644,3582,16398,26801,5165,8851,9715,3975,4612,1684,17909,12918,3628,18758,20295,18788,13499,12464
indole-3-acetate,684929,202,69,85:142.0 87:38.0 89:42.0 91:40.0 100:21.0 101:105.0 102:208.0 105:43.0 115:43.0 116:34.0 119:53.0 121:26.0 128:130.0 129:377.0 130:199.0 131:197.0 133:47.0 145:101.0 148:147.0 157:44.0 160:50.0 161:30.0 167:14.0 169:17.0 170:37.0 172:34.0 174:29.0 184:57.0 186:179.0 187:57.0 200:136.0 201:41.0 202:3519.0 203:606.0 204:162.0 217:45.0 226:14.0 228:28.0 276:55.0 319:239.0 320:67.0 321:16.0 330:17.0 331:20.0 335:20.0 356:23.0 376:13.0 475:14.0,C00954,802,SEOVTRFCIGRIMH-UHFFFAOYSA-N,1589,2181,2228,2393,4107,3372,6565,2371,6473,2631,1604,1316,635,564,493,1204,705,804,621,702
hypoxanthine,619128,265,1663,85:17650.0 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,FDGQSTZJBFJUBT-UHFFFAOYSA-N,14265,31374,8071,13623,85088,71309,104156,127581,26392,10528,4333,4290,3822,1063,1890,9600,638,1817,3126,3448
hydroxylamine,255241,146,139,85:633.0 86:2313.0 87:825.0 88:529.0 91:101.0 92:48.0 96:39.0 99:99.0 100:1181.0 101:208.0 103:445.0 105:237.0 109:19.0 116:169.0 117:579.0 118:114.0 119:2103.0 120:482.0 121:248.0 124:18.0 126:27.0 129:42.0 131:1281.0 132:298.0 133:4524.0 135:417.0 136:79.0 142:20.0 144:27.0 145:78.0 146:4294.0 147:2233.0 148:673.0 149:132.0 161:231.0 172:17.0 187:19.0 188:77.0 190:14.0 204:105.0 205:68.0 238:22.0 240:12.0 250:163.0 251:91.0 252:19.0 253:25.0 270:16.0 321:15.0 346:16.0 355:58.0 478:14.0,C00192,787,AVXURJPOCDRRFD-UHFFFAOYSA-N,1081,876,1901,1057,2559,663,6997,4721,447,350,991,390,1614,1348,1391,1530,310,1683,12772,888
hydroquinone,422583,239,16709,85:15.0 86:19.0 88:14.0 91:275.0 94:176.0 95:72.0 96:114.0 97:3.0 98:65.0 110:71.0 112:755.0 113:60.0 120:6.0 123:15.0 124:34.0 130:1.0 134:225.0 135:23.0 138:35.0 140:20.0 144:12.0 147:267.0 167:13.0 174:41.0 182:51.0 196:25.0 211:51.0 212:37.0 223:305.0 224:15.0 225:20.0 237:5.0 239:2779.0 240:576.0 241:199.0 254:1651.0 255:346.0 256:81.0 258:5.0 261:4.0 299:12.0 301:9.0 316:15.0 327:20.0 333:7.0 337:3.0 347:23.0 385:7.0 394:1.0 409:7.0 419:3.0 434:10.0 451:3.0 458:7.0 461:5.0,C00530,785,QIGBRXMKCJKVMJ-UHFFFAOYSA-N,303,436,318,470,486,552,1110,451,1112,800,499,347,281,264,272,623,436,340,293,212
homoserine,443878,218,2849,101:66.0 102:400.0 103:4169.0 104:311.0 105:88.0 108:5.0 113:20.0 114:56.0 115:64.0 116:6.0 117:924.0 118:50.0 125:1.0 128:3071.0 129:503.0 130:734.0 131:345.0 132:149.0 133:513.0 134:269.0 135:55.0 139:3.0 140:11.0 141:19.0 145:11.0 146:159.0 147:1347.0 148:40.0 149:294.0 157:459.0 158:17.0 159:17.0 172:20.0 177:38.0 180:8.0 184:17.0 185:46.0 191:9.0 199:4.0 200:1.0 202:287.0 204:73.0 208:3.0 216:33.0 217:9.0 218:3547.0 219:769.0 220:483.0 221:25.0 230:115.0 231:60.0 237:1.0 247:163.0 254:6.0 264:1.0 266:15.0 292:97.0 294:8.0 299:29.0 300:28.0 317:12.0 327:2.0 335:1.0 347:2.0 374:15.0 386:1.0 421:11.0 424:3.0 435:18.0 455:2.0 460:1.0 468:10.0 477:7.0 484:18.0,C00263,12647,UKAUYVFTDYCKQA-VKHMYHEASA-N,5190,11337,1756,1924,12688,20299,13663,26275,14857,8056,2142,2678,634,467,509,1741,482,754,895,680
homocystine,874865,128,2786,85:58.0 87:20.0 88:504.0 89:93.0 91:89.0 94:14.0 100:924.0 101:447.0 102:115.0 103:1568.0 104:115.0 107:34.0 108:14.0 110:41.0 112:98.0 113:23.0 114:484.0 115:132.0 116:34.0 117:946.0 118:171.0 119:35.0 126:15.0 128:10523.0 129:2584.0 130:634.0 131:361.0 132:23.0 133:451.0 134:29.0 142:4.0 143:6.0 144:24.0 145:41.0 146:130.0 147:2201.0 148:453.0 149:191.0 153:17.0 158:137.0 159:48.0 160:3354.0 161:606.0 162:281.0 163:11.0 165:56.0 170:3.0 172:66.0 173:34.0 174:236.0 176:37.0 180:19.0 183:43.0 184:13.0 186:56.0 187:51.0 188:431.0 189:334.0 190:94.0 192:4.0 194:9.0 200:11.0 202:442.0 203:177.0 204:346.0 205:357.0 206:150.0 214:2.0 215:18.0 216:54.0 217:224.0 218:361.0 219:1600.0 220:326.0 221:195.0 222:25.0 223:12.0 229:26.0 230:348.0 231:118.0 232:318.0 233:16.0 234:44.0 236:14.0 243:156.0 244:227.0 245:268.0 246:314.0 247:42.0 248:24.0 249:30.0 250:3.0 251:3.0 252:15.0 254:21.0 261:28.0 262:85.0 263:29.0 272:1.0 274:19.0 276:38.0 277:463.0 278:835.0 279:221.0 280:73.0 281:62.0 290:29.0 295:4.0 300:21.0 301:25.0 304:13.0 308:23.0 309:13.0 312:17.0 314:18.0 315:20.0 316:24.0 317:35.0 324:1.0 330:23.0 333:40.0 336:6.0 337:12.0 339:7.0 340:4.0 342:2.0 347:4.0 352:6.0 356:13.0 357:14.0 359:2.0 375:9.0 376:15.0 385:11.0 387:10.0 394:4.0 403:14.0 406:14.0 407:2.0 410:3.0 414:4.0 417:3.0 424:1.0 427:13.0 432:1.0 434:7.0 436:13.0 439:5.0 445:36.0 447:6.0 457:6.0 463:15.0 467:7.0 477:15.0 478:5.0 479:11.0 485:24.0 487:5.0 492:21.0 493:5.0 495:5.0,C01817,10010,ZTVZLYBCZNMWCF-UHFFFAOYSA-N,281,2101,281,304,6318,2604,5588,6222,621,469,403,437,932,1940,896,9641,991,1085,2408,3750
histidine,663790,154,150,85:2111.0 91:78.0 92:216.0 93:168.0 96:546.0 97:628.0 98:534.0 99:1060.0 100:5400.0 104:467.0 105:300.0 106:130.0 110:273.0 112:1060.0 113:608.0 116:436.0 117:2105.0 118:701.0 119:507.0 120:167.0 122:47.0 125:129.0 126:813.0 127:915.0 128:1600.0 129:1815.0 130:896.0 131:728.0 132:1925.0 133:1640.0 134:509.0 135:105.0 136:198.0 137:126.0 138:252.0 139:546.0 141:244.0 143:889.0 145:717.0 148:542.0 149:263.0 150:38.0 151:607.0 152:194.0 153:664.0 154:30947.0 155:6332.0 160:721.0 161:329.0 165:96.0 166:687.0 167:138.0 169:155.0 170:104.0 171:258.0 172:403.0 173:391.0 174:2337.0 178:125.0 180:68.0 181:111.0 182:540.0 183:136.0 184:149.0 187:157.0 188:31.0 189:362.0 190:276.0 192:81.0 194:20.0 195:50.0 196:55.0 197:30.0 199:112.0 200:914.0 201:416.0 203:251.0 206:101.0 208:68.0 216:264.0 218:1354.0 220:343.0 222:47.0 223:34.0 224:54.0 225:13.0 226:278.0 227:144.0 234:80.0 235:42.0 238:755.0 240:183.0 241:204.0 242:89.0 243:135.0 246:131.0 247:62.0 250:22.0 254:3323.0 255:999.0 256:483.0 261:49.0 262:65.0 263:70.0 264:76.0 265:21.0 266:222.0 267:68.0 269:87.0 270:34.0 272:90.0 274:280.0 275:123.0 283:30.0 284:27.0 288:42.0 290:29.0 291:53.0 292:26.0 295:33.0 296:33.0 299:251.0 302:122.0 303:67.0 312:40.0 313:55.0 321:65.0 324:18.0 326:27.0 327:20.0 328:127.0 331:53.0 335:27.0 336:17.0 338:25.0 340:35.0 344:29.0 347:41.0 349:19.0 354:14.0 355:20.0 356:236.0 357:93.0 359:23.0 371:81.0 373:25.0 378:22.0 391:132.0 392:36.0 393:51.0 395:43.0 396:24.0 397:24.0 405:10.0 408:27.0 412:24.0 418:33.0 423:28.0 424:20.0 425:23.0 426:18.0 429:38.0 430:27.0 431:42.0 434:87.0 435:76.0 436:72.0 438:35.0 440:19.0 442:36.0 443:23.0 447:41.0 448:14.0 451:12.0 453:43.0 456:23.0 459:33.0 461:27.0 464:22.0 465:25.0 466:34.0 467:15.0 468:40.0 470:20.0 475:21.0 476:18.0 477:27.0 478:20.0 479:14.0 480:33.0 481:24.0 482:34.0 483:14.0 485:14.0 488:20.0 491:19.0 493:36.0 494:20.0 498:19.0,C00135,6274,HNDVDQJCIGZPNO-YFKPBYRVSA-N,35005,65293,2030,2498,141216,59140,102098,165099,45302,48633,2097,8880,4097,6726,11276,248691,7279,4802,53643,9346
hexuronic acid,667373,160,4554,85:209.0 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,,152867,IAJILQKETJEXLJ-UHFFFAOYSA-N,656,1133,509,554,2314,907,3343,6667,3270,2095,572,608,2447,2238,2031,9839,1193,1369,199953,60715
hexose,642640,319,20287,87:46.0 89:593.0 98:26.0 100:70.0 101:184.0 103:762.0 104:80.0 105:211.0 107:72.0 112:27.0 113:40.0 114:76.0 116:57.0 117:792.0 118:43.0 119:50.0 128:26.0 129:778.0 130:84.0 131:128.0 133:426.0 134:123.0 135:46.0 138:25.0 142:40.0 143:58.0 145:57.0 146:50.0 147:2095.0 148:321.0 149:125.0 155:24.0 157:368.0 158:58.0 159:41.0 160:684.0 161:118.0 162:34.0 163:56.0 164:21.0 165:33.0 173:49.0 184:32.0 186:44.0 188:49.0 189:181.0 190:56.0 191:103.0 196:25.0 200:20.0 201:48.0 202:18.0 204:158.0 205:996.0 206:178.0 207:58.0 215:24.0 216:35.0 217:349.0 218:98.0 219:53.0 220:29.0 221:30.0 223:38.0 224:22.0 229:120.0 230:36.0 231:60.0 233:17.0 234:24.0 238:21.0 244:25.0 245:33.0 247:26.0 256:14.0 262:27.0 269:22.0 274:47.0 275:20.0 287:20.0 288:24.0 289:21.0 291:22.0 292:19.0 297:28.0 305:31.0 306:23.0 307:33.0 313:31.0 318:40.0 319:572.0 320:248.0 321:103.0 322:20.0 327:20.0 330:21.0 331:18.0 335:27.0 338:19.0 344:28.0 345:33.0 348:21.0 349:20.0 351:20.0 353:17.0 354:17.0 365:23.0 381:19.0 416:21.0 433:22.0 445:19.0 482:24.0,C00738,206,WQZGKKKJIJFFOK-UHFFFAOYSA-N,204,275,265,238,380,370,582,389,583,342,258,194,741,445,652,1973,614,744,31917,216
hexitol,704741,217,255,85:79.0 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,FBPFZTCFMRRESA-UHFFFAOYSA-N,432,1020,359,375,2042,2275,3062,1038,778,796,350,280,1470,1091,903,9235,562,1075,1848,552
hexadecylglycerol NIST,867593,205,100721,85:8744.0 86:578.0 87:1216.0 88:1214.0 89:4931.0 90:533.0 91:781.0 92:44.0 93:250.0 94:167.0 95:1193.0 96:711.0 97:3878.0 98:905.0 99:2281.0 100:306.0 101:7992.0 102:907.0 103:12467.0 104:903.0 105:1844.0 106:137.0 107:212.0 108:203.0 109:527.0 110:203.0 111:1123.0 112:450.0 113:823.0 115:2952.0 116:5985.0 117:34930.0 118:3298.0 119:2669.0 120:178.0 121:191.0 122:110.0 123:209.0 124:134.0 125:609.0 126:225.0 127:198.0 129:6387.0 130:12702.0 131:12726.0 132:2986.0 133:19640.0 134:2196.0 135:1231.0 136:122.0 137:62.0 138:70.0 139:194.0 140:115.0 141:94.0 142:57.0 143:232.0 144:97.0 145:975.0 146:227.0 147:28651.0 148:4580.0 149:3947.0 150:468.0 151:229.0 152:29.0 153:43.0 154:40.0 155:156.0 156:34.0 157:66.0 158:78.0 159:246.0 160:97.0 161:162.0 163:293.0 165:65.0 166:53.0 168:24.0 169:131.0 172:23.0 173:62.0 174:112.0 175:1798.0 176:379.0 177:1400.0 178:172.0 179:87.0 181:89.0 184:45.0 185:62.0 186:42.0 187:18.0 188:59.0 189:583.0 190:94.0 191:195.0 192:52.0 193:73.0 195:47.0 199:37.0 203:129.0 204:2333.0 205:27199.0 206:5194.0 207:2057.0 208:208.0 209:70.0 210:15.0 212:16.0 216:20.0 218:93.0 219:79.0 220:56.0 221:170.0 222:110.0 223:102.0 227:19.0 234:38.0 239:52.0 240:26.0 241:40.0 243:16.0 245:14.0 251:47.0 252:19.0 253:154.0 254:52.0 260:32.0 262:51.0 263:58.0 271:15.0 272:26.0 280:149.0 281:73.0 282:36.0 287:13.0 290:22.0 296:28.0 297:25.0 299:106.0 307:14.0 312:66.0 313:707.0 314:294.0 315:112.0 326:24.0 329:15.0 330:14.0 333:19.0 342:18.0 344:25.0 352:14.0 354:17.0 355:126.0 356:178.0 357:164.0 358:31.0 359:37.0 362:25.0 364:97.0 370:144.0 371:116.0 372:36.0 374:23.0 375:22.0 376:19.0 388:21.0 390:16.0 395:22.0 402:23.0 426:19.0 444:30.0 445:127.0 446:66.0 447:56.0,,,OOWQBDFWEXAXPB-UHFFFAOYSA-N,643,963,474,610,1368,2012,3510,1678,2002,1078,997,523,2326,1474,1573,16987,2632,2661,3899,2018
heptadecanoic acid,751309,117,727,86:84.0 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,,10465,KEMQGTRYUADPNZ-UHFFFAOYSA-N,9495,12313,7294,4771,33884,17155,41571,27522,17337,10456,3839,4237,3060,1599,1870,10369,1341,2476,6517,1923
guanosine,957445,324,64568,85:3730.0 86:6111.0 87:6461.0 88:1183.0 89:20272.0 90:1215.0 92:726.0 97:12441.0 98:5083.0 99:33446.0 100:9239.0 101:30640.0 102:3188.0 103:241653.0 104:22140.0 105:10423.0 106:801.0 107:933.0 109:935.0 110:3275.0 111:12688.0 112:3363.0 113:14407.0 114:2874.0 115:59667.0 116:14000.0 117:46098.0 118:5769.0 119:7215.0 120:950.0 122:433.0 123:1322.0 124:1959.0 125:4378.0 126:5262.0 127:8454.0 129:59875.0 130:9651.0 131:47030.0 132:12910.0 133:58474.0 134:12199.0 135:8265.0 136:2137.0 137:1246.0 138:3403.0 139:4064.0 141:12306.0 142:3083.0 143:28833.0 144:11221.0 145:13603.0 146:15251.0 147:216746.0 148:36660.0 149:24671.0 150:4189.0 151:2139.0 152:1780.0 153:9512.0 155:3592.0 157:16948.0 158:28437.0 159:9171.0 162:882.0 163:1604.0 164:1699.0 165:5763.0 166:16856.0 167:12515.0 168:4957.0 169:51196.0 170:8840.0 171:27153.0 172:5768.0 173:8282.0 177:1789.0 178:1588.0 180:1813.0 181:3745.0 182:3714.0 183:2123.0 184:1360.0 185:819.0 187:2141.0 189:18642.0 190:10581.0 191:16349.0 192:4402.0 193:2374.0 194:2268.0 195:1994.0 196:1543.0 197:2163.0 198:4444.0 199:1174.0 201:1427.0 203:2644.0 206:3824.0 207:4120.0 208:8822.0 209:5933.0 210:3254.0 211:1591.0 212:703.0 215:4100.0 216:1127.0 217:78105.0 218:12363.0 219:6790.0 220:2425.0 221:4001.0 222:4874.0 223:3869.0 224:2957.0 225:708.0 229:5088.0 230:96421.0 231:27300.0 232:12077.0 233:2561.0 234:2055.0 235:1648.0 236:1913.0 237:1883.0 238:5366.0 239:4273.0 240:740.0 243:62797.0 244:15561.0 245:198082.0 246:43516.0 247:19342.0 248:4243.0 249:1561.0 250:2172.0 251:3984.0 252:3228.0 253:1396.0 257:2866.0 258:3695.0 259:30097.0 260:7241.0 261:2971.0 262:1515.0 263:1560.0 264:18863.0 265:18035.0 266:8481.0 276:651.0 277:887.0 278:6265.0 279:9045.0 280:82162.0 281:83696.0 282:35185.0 283:10901.0 284:2061.0 286:203.0 287:230.0 288:1264.0 290:602.0 291:761.0 292:1944.0 293:1920.0 294:12457.0 295:27980.0 296:40521.0 297:29287.0 298:11399.0 303:344.0 304:862.0 305:1244.0 306:1498.0 307:929.0 308:4232.0 309:5765.0 310:3002.0 311:1190.0 312:267.0 319:652.0 320:2588.0 321:2745.0 322:2637.0 323:3669.0 324:119358.0 325:123396.0 326:49271.0 327:15795.0 328:3619.0 329:422.0 331:523.0 332:348.0 333:1249.0 334:757.0 335:1106.0 336:1496.0 337:1265.0 338:1340.0 339:967.0 340:421.0 342:317.0 346:268.0 347:734.0 348:6599.0 349:2355.0 350:1980.0 351:1258.0 352:8700.0 353:9727.0 354:5855.0 355:2208.0 356:625.0 358:215.0 366:2064.0 367:5248.0 368:30092.0 369:32317.0 370:16021.0 371:6357.0 372:1954.0 373:628.0 374:544.0 375:818.0 376:390.0 377:104.0 378:770.0 379:743.0 380:1234.0 381:787.0 382:674.0 383:1064.0 384:602.0 385:462.0 388:105.0 390:51.0 391:229.0 392:448.0 393:1165.0 394:9731.0 395:11404.0 399:275.0 400:167.0 401:225.0 403:164.0 404:155.0 405:229.0 406:244.0 407:398.0 408:959.0 409:2972.0 410:17066.0 411:17906.0 412:9384.0 413:3692.0 414:1168.0 415:327.0 416:180.0 417:244.0 418:120.0 419:14.0 420:225.0 421:516.0 422:3226.0 423:3649.0 424:2624.0 425:4198.0 426:4108.0 427:2018.0 428:560.0 429:405.0 430:217.0 431:288.0 432:92.0 433:280.0 434:366.0 435:598.0 436:325.0 437:278.0 438:436.0 439:282.0 440:217.0 441:212.0 442:349.0 443:369.0 444:809.0 445:500.0 448:1060.0 449:1060.0 450:977.0 451:691.0 452:496.0 453:458.0 454:196.0 455:186.0 456:205.0 457:306.0 458:92.0 459:213.0 460:161.0 462:273.0 463:451.0 464:1045.0 465:1212.0 466:583.0 467:541.0 468:352.0 469:317.0 470:398.0 471:281.0 472:406.0 473:79.0 474:344.0 475:520.0 476:317.0 477:353.0 478:240.0 479:239.0 480:238.0 481:226.0 482:1025.0 483:1176.0 484:1188.0 485:796.0 486:670.0 487:520.0 488:661.0 489:727.0 490:558.0 491:434.0 492:233.0 493:272.0 494:237.0 495:239.0 496:507.0 497:649.0 498:640.0,C00387,6802,NYHBQMYGNKIUIF-UUOKFMHZSA-N,350,878,302,425,1286,880,3181,2718,2053,388,609,632,286,229,229,985,228,267,670,325
guanine,744307,352,2519,85:485.0 86:288.0 87:42.0 89:317.0 95:86.0 98:175.0 99:1474.0 100:782.0 101:980.0 102:75.0 103:1581.0 104:106.0 105:14.0 110:49.0 111:272.0 112:15.0 113:289.0 114:183.0 115:231.0 116:930.0 117:753.0 118:116.0 119:40.0 122:16.0 124:27.0 125:94.0 126:14.0 127:102.0 128:117.0 129:1922.0 130:538.0 131:1046.0 132:378.0 133:1248.0 135:247.0 137:42.0 138:19.0 139:86.0 140:23.0 141:220.0 142:118.0 143:248.0 144:113.0 147:4446.0 148:756.0 149:176.0 150:97.0 151:97.0 152:90.0 153:92.0 154:46.0 155:352.0 157:444.0 158:525.0 159:73.0 160:58.0 163:35.0 165:70.0 166:233.0 167:87.0 168:135.0 169:322.0 170:81.0 171:822.0 172:106.0 173:198.0 175:11.0 177:30.0 178:8.0 180:330.0 181:146.0 182:37.0 183:59.0 186:24.0 187:16.0 188:10.0 189:171.0 190:207.0 191:269.0 192:54.0 193:89.0 194:20.0 195:13.0 196:7.0 197:139.0 198:137.0 201:15.0 202:23.0 203:165.0 204:369.0 205:188.0 206:107.0 208:55.0 209:51.0 211:438.0 212:62.0 213:6.0 214:24.0 217:1578.0 218:415.0 219:230.0 221:68.0 223:36.0 225:108.0 226:21.0 227:58.0 229:9.0 230:74.0 233:2.0 237:118.0 238:518.0 239:83.0 240:86.0 243:96.0 244:45.0 245:29.0 246:75.0 247:59.0 248:6.0 251:34.0 253:46.0 261:1.0 262:224.0 263:42.0 264:699.0 265:158.0 266:18.0 267:52.0 269:69.0 277:24.0 278:199.0 279:133.0 280:357.0 281:124.0 282:58.0 283:52.0 284:164.0 285:29.0 293:127.0 294:147.0 295:61.0 299:1311.0 300:316.0 301:137.0 305:39.0 307:10.0 309:40.0 314:153.0 315:528.0 316:182.0 317:116.0 320:26.0 322:33.0 323:28.0 326:4.0 336:140.0 338:6.0 339:13.0 347:19.0 350:70.0 351:141.0 352:5273.0 353:1927.0 354:731.0 355:133.0 356:73.0 357:402.0 358:114.0 359:13.0 360:9.0 364:14.0 366:85.0 367:1133.0 368:481.0 369:181.0 370:150.0 371:31.0 387:420.0 388:153.0 389:92.0 390:24.0 404:6.0 419:2.0 423:10.0 448:9.0 450:43.0 468:1.0 470:5.0 472:8.0 473:14.0 482:14.0 493:2.0,C00242,764,UYTPUPDQBNUYGX-UHFFFAOYSA-N,4524,5731,1175,1403,17989,7162,12737,11452,2990,2202,713,1033,1202,571,773,9626,855,1075,3342,3645
glycolic acid,227215,177,34086,87:1425.0 92:213.0 93:59.0 94:53.0 100:1068.0 101:928.0 102:746.0 103:3767.0 104:374.0 105:894.0 106:225.0 109:62.0 115:803.0 116:336.0 119:879.0 120:116.0 121:21.0 133:7528.0 137:4.0 152:79.0 153:20.0 154:42.0 156:71.0 157:41.0 158:44.0 160:65.0 161:3953.0 162:856.0 163:458.0 164:50.0 165:50.0 166:7.0 168:24.0 173:188.0 175:46.0 176:27.0 177:10553.0 178:1655.0 179:815.0 180:109.0 182:15.0 184:772.0 190:298.0 192:24.0 197:14.0 200:38.0 205:6560.0 206:997.0 207:558.0 225:21.0 311:2.0 316:2.0 399:24.0 413:7.0 422:7.0 424:6.0 438:6.0 455:16.0 459:3.0 474:29.0 486:4.0 488:25.0,C00160,757,AEMRFAOFKBGASW-UHFFFAOYSA-N,3904,8441,9010,5217,10319,16667,10459,8984,14445,6266,6838,6303,4909,4425,4706,7989,1910,3271,2795,7305
glycocyamine,510732,171,7964,86:589.0 88:823.0 92:34.0 93:218.0 96:381.0 97:129.0 98:171.0 99:493.0 100:1822.0 101:161.0 104:796.0 108:1344.0 110:188.0 111:107.0 114:238.0 115:1808.0 118:1160.0 127:237.0 128:57.0 130:1500.0 131:316.0 136:24.0 141:551.0 142:196.0 144:253.0 155:279.0 157:489.0 158:556.0 159:49.0 166:2.0 171:14960.0 172:3060.0 173:1308.0 174:100.0 185:462.0 186:3372.0 187:543.0 188:378.0 198:2214.0 199:693.0 200:440.0 214:38.0 215:104.0 217:34.0 221:47.0 226:111.0 227:11.0 230:14.0 234:41.0 240:4.0 241:36.0 242:79.0 243:44.0 244:11.0 245:25.0 255:22.0 256:484.0 257:115.0 258:31.0 263:161.0 268:59.0 286:888.0 287:251.0 288:140.0 314:620.0 315:140.0 316:83.0 321:1.0 327:2.0 329:3723.0 330:1108.0 331:534.0 332:44.0 333:4.0 341:51.0 398:2.0 402:11.0 418:3.0 427:19.0 429:71.0 430:12.0 431:46.0 433:4.0 438:4.0 446:6.0 447:8.0 453:16.0,C00581,763,BPMFZUMJYQTVII-UHFFFAOYSA-N,4997,7450,5536,6061,10457,9767,17020,10551,15513,5458,3852,2332,1170,781,1311,4121,1217,1160,1100,800
glycine,368707,248,6,85:2882.0 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,DHMQDGOQFOQNFH-UHFFFAOYSA-N,53202,170528,22357,10488,167590,265326,161863,153398,122773,77718,8911,72829,35268,8680,14020,351171,7452,18017,231934,10433
glycerol-alpha-phosphate,593299,357,62254,87:8694.0 88:4191.0 89:11433.0 91:1884.0 92:79.0 93:566.0 94:275.0 101:102101.0 102:12242.0 103:100742.0 104:10244.0 105:10029.0 106:1478.0 107:3362.0 108:394.0 109:1271.0 114:1073.0 115:21169.0 116:22830.0 117:21094.0 118:3210.0 119:10846.0 120:1726.0 121:5718.0 122:528.0 123:2359.0 124:280.0 129:67176.0 130:12007.0 131:50454.0 132:6337.0 133:92102.0 134:12770.0 135:27101.0 136:3144.0 137:9042.0 138:1116.0 145:2185.0 147:137727.0 148:21954.0 149:20658.0 150:2255.0 151:7120.0 163:6323.0 164:1128.0 165:2696.0 166:480.0 167:2085.0 177:2825.0 178:845.0 179:2739.0 180:583.0 181:11634.0 182:1472.0 183:4631.0 184:1312.0 185:529.0 189:3365.0 190:947.0 191:12758.0 192:2726.0 193:15709.0 194:2483.0 195:13119.0 196:1990.0 199:383.0 203:10777.0 204:3076.0 205:6619.0 206:1347.0 207:25854.0 208:5582.0 209:4676.0 210:1795.0 211:66822.0 212:10956.0 213:7172.0 214:759.0 217:2478.0 218:17737.0 219:8846.0 220:2843.0 221:1247.0 222:349.0 223:750.0 224:547.0 225:16193.0 226:4702.0 227:14277.0 228:2424.0 229:1235.0 235:159.0 237:547.0 238:212.0 239:496.0 240:346.0 241:15867.0 242:3475.0 243:10573.0 249:298.0 250:184.0 251:301.0 252:174.0 253:3269.0 254:775.0 255:2498.0 256:17993.0 257:3777.0 258:1817.0 264:60.0 265:176.0 266:162.0 267:493.0 268:426.0 269:3780.0 270:923.0 271:938.0 272:238.0 277:43.0 278:32.0 279:61.0 280:68.0 281:381.0 283:3822.0 284:1420.0 285:11908.0 286:3022.0 287:1732.0 288:241.0 289:25.0 290:46.0 291:102.0 292:45.0 293:71.0 294:43.0 295:111.0 296:50.0 297:431.0 298:5603.0 299:153004.0 300:41509.0 301:22815.0 302:4286.0 303:1202.0 304:236.0 305:161.0 306:238.0 307:226.0 308:232.0 309:330.0 310:242.0 311:387.0 312:197.0 313:2727.0 314:7688.0 315:36304.0 316:11008.0 317:5277.0 318:1090.0 319:347.0 320:74.0 321:36.0 322:19.0 323:48.0 324:41.0 325:76.0 326:154.0 327:1793.0 328:7692.0 329:2727.0 330:1355.0 336:44.0 337:41.0 338:89.0 339:102.0 340:471.0 341:10192.0 342:5186.0 343:2675.0 344:975.0 345:1157.0 346:862.0 347:514.0 351:111.0 352:139.0 353:230.0 354:289.0 355:553.0 356:3497.0 357:94790.0 358:28837.0 359:14666.0 360:2979.0 361:853.0 362:112.0 363:15.0 365:19.0 368:36.0 369:738.0 370:16485.0 371:5540.0 372:2916.0 373:7205.0 374:2796.0 375:1345.0 376:461.0 377:163.0 378:33.0 380:49.0 381:14.0 382:60.0 383:86.0 384:77.0 385:91.0 386:586.0 387:9467.0 388:3906.0 389:4788.0 390:1674.0 391:956.0 392:248.0 393:212.0 394:70.0 395:54.0 396:38.0 397:32.0 398:82.0 400:92.0 401:56.0 403:32.0 405:14.0 407:12.0 408:21.0 409:54.0 410:50.0 411:40.0 412:4.0 414:126.0 415:1100.0 416:479.0 417:630.0 418:270.0 419:141.0 420:46.0 421:27.0 424:11.0 427:20.0 429:156.0 444:1169.0 445:13699.0 446:5971.0 447:3090.0 448:814.0 449:248.0 450:19.0 452:3.0 456:10.0 457:12.0 459:2.0 461:16.0 462:5.0 463:2.0 465:13.0 469:8.0 472:13.0 480:4.0 488:20.0 491:9.0 493:20.0 494:10.0 497:20.0 498:14.0 499:6.0 500:20.0,C03189,754,AWUCVROLDVIAJX-UHFFFAOYSA-N,4007,9496,3225,2502,12053,8997,13009,16072,15869,14139,2305,3561,3123,4120,3572,24127,2328,3255,15946,4953
glycerol-3-galactoside,805227,204,1693,89:176.0 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,NHJUPBDCSOGIKX-NTXXKDEISA-N,572,732,427,453,536,2105,3866,1622,1938,992,266,425,758,567,1228,50607,633,853,17489,464
glycerol,344428,205,102844,86:35649.0 87:13782.0 89:52081.0 90:4636.0 91:2790.0 92:331.0 94:2130.0 95:638.0 96:309.0 97:382.0 98:441.0 99:3874.0 100:44651.0 101:54722.0 102:14716.0 103:190700.0 104:22113.0 105:17401.0 106:820.0 113:6809.0 114:4692.0 115:32295.0 116:19426.0 117:387803.0 118:38731.0 119:35848.0 127:1203.0 128:4038.0 129:54615.0 130:16196.0 131:81985.0 132:12409.0 133:263730.0 134:35271.0 135:20567.0 146:458.0 147:158232.0 148:67778.0 149:86284.0 150:6321.0 151:1607.0 158:826.0 159:9255.0 161:2618.0 162:2863.0 163:29937.0 164:3347.0 165:2469.0 172:2039.0 173:2610.0 174:126857.0 175:76933.0 176:21354.0 177:58006.0 178:9254.0 179:5758.0 184:172.0 188:976.0 189:19578.0 190:3968.0 191:46756.0 192:7753.0 193:3656.0 204:7413.0 205:207984.0 206:73294.0 207:48470.0 208:5855.0 217:53043.0 218:331546.0 219:67671.0 220:28399.0 221:15549.0 222:1861.0 262:2113.0 263:9015.0 264:2488.0 265:954.0 275:16.0 277:90.0 281:43.0 291:972.0 292:197.0 293:35210.0 294:9358.0 295:4939.0 296:617.0 306:313.0 327:11.0 331:13.0 337:45.0 338:12.0 339:12.0 340:11.0 342:40.0 343:14.0 346:12.0 348:81.0 350:18.0 352:19.0 356:15.0 357:11.0 358:39.0 359:47.0 360:100.0 365:30.0 367:29.0 372:16.0 376:46.0 379:71.0 380:74.0 384:8.0 391:22.0 394:28.0 397:44.0 400:32.0 402:74.0 412:13.0 416:42.0 422:90.0 423:52.0 426:59.0 427:78.0 429:13.0 431:51.0 432:64.0 433:35.0 435:99.0 437:37.0 439:27.0 440:16.0 442:13.0 448:36.0 449:10.0 455:17.0 460:37.0 465:28.0 467:43.0 479:47.0 480:14.0 482:12.0 484:59.0 488:15.0 491:62.0 494:24.0 499:69.0,,,PEDCQBHIVMGVHV-UHFFFAOYSA-N,27407,48311,33710,21551,78555,77119,118203,75609,53925,25887,14719,13060,6418,9005,4037,15259,3862,4473,137828,18576
glyceric acid,377495,189,48,87:199.0 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,RBNPOMFGQQGHHO-UWTATZPHSA-N,25499,29368,14847,11981,73778,29474,86500,80080,33860,22305,6543,7923,10244,3668,8190,35069,8264,7084,15092,6910
glutaric acid,421596,261,16952,85:4857.0 86:408.0 87:632.0 88:1429.0 89:752.0 92:72.0 93:162.0 94:11.0 95:581.0 97:15164.0 98:1176.0 99:2227.0 101:4169.0 102:981.0 103:27.0 106:67.0 107:367.0 110:432.0 111:140.0 113:709.0 114:83.0 115:2230.0 116:9480.0 117:5385.0 118:622.0 119:88.0 123:1269.0 124:368.0 126:294.0 127:328.0 128:231.0 129:14698.0 130:6115.0 131:3690.0 132:878.0 133:5237.0 138:106.0 140:284.0 141:16.0 142:59.0 143:866.0 144:129.0 145:1316.0 146:54.0 147:101389.0 148:14297.0 149:12632.0 150:1652.0 151:498.0 152:14.0 155:1021.0 156:2761.0 157:300.0 158:17490.0 159:4197.0 160:949.0 161:18.0 162:630.0 168:140.0 170:81.0 171:624.0 172:124.0 173:5.0 175:13.0 177:8.0 178:7.0 183:584.0 184:122.0 186:5221.0 187:2061.0 188:206.0 189:1542.0 190:295.0 198:5.0 200:21.0 201:182.0 202:6.0 203:4529.0 204:4154.0 205:639.0 206:19.0 215:2.0 216:20.0 217:42.0 219:83.0 220:32.0 221:46.0 222:6.0 225:8.0 230:508.0 231:26.0 233:4724.0 234:1063.0 235:404.0 236:28.0 239:2.0 241:61.0 243:57.0 244:158.0 245:309.0 254:3.0 258:1710.0 259:250.0 260:105.0 261:11317.0 262:2578.0 263:1015.0 264:116.0 273:337.0 276:16.0 277:5.0 291:5.0 292:46.0 293:15.0 294:1.0 323:2.0 342:19.0 386:1.0,C00489,743,JFCQEDHGNNZCLN-UHFFFAOYSA-N,492,532,481,507,1258,990,2206,865,1488,1045,300,146,226,181,188,286,224,182,231,204
glutamine,603222,156,64560,86:63520.0 87:26476.0 88:10436.0 89:2696.0 90:22879.0 91:10271.0 92:3191.0 94:8272.0 98:32189.0 100:283704.0 101:102293.0 102:53104.0 103:30897.0 104:16308.0 105:3811.0 106:1051.0 107:4566.0 108:491.0 110:5193.0 112:69405.0 113:63891.0 114:257965.0 115:221627.0 117:38567.0 118:8060.0 119:22087.0 120:1276.0 121:203.0 122:862.0 124:1533.0 126:46974.0 127:10770.0 128:283801.0 129:174180.0 130:98989.0 131:269635.0 132:157909.0 133:294872.0 134:53571.0 135:28589.0 136:2471.0 137:3003.0 138:92.0 139:134574.0 140:89768.0 141:5268.0 145:100064.0 146:30394.0 147:201103.0 148:60647.0 149:74034.0 150:24058.0 151:5973.0 155:400305.0 156:2249468.0 157:1097782.0 158:65274.0 163:3810.0 164:746.0 166:663.0 167:13301.0 168:4048.0 176:2601.0 177:3729.0 178:628.0 180:1002.0 182:1131.0 183:6415.0 184:3219.0 187:973.0 188:70792.0 189:34392.0 190:14243.0 192:57404.0 193:29390.0 194:7519.0 195:5577.0 196:2793.0 197:1058.0 198:2553.0 200:12564.0 201:4665.0 202:11161.0 203:287896.0 204:128221.0 205:46891.0 206:13134.0 207:2688.0 208:3212.0 211:23525.0 212:10025.0 213:15760.0 214:21408.0 215:10605.0 216:29083.0 218:134823.0 219:64346.0 220:23883.0 221:30330.0 222:6957.0 223:3971.0 224:262.0 227:35639.0 228:22132.0 229:100184.0 230:97545.0 231:41270.0 232:51620.0 233:21917.0 234:6597.0 235:692.0 239:1407.0 240:2489.0 241:6535.0 242:2153.0 243:3395.0 244:7243.0 245:301406.0 246:249892.0 247:96331.0 248:31458.0 249:8630.0 250:1523.0 251:17.0 252:5029.0 253:432.0 255:2239.0 256:433.0 257:35726.0 258:31058.0 259:14411.0 260:5002.0 261:769.0 271:621.0 272:21128.0 273:40633.0 274:27295.0 275:11201.0 276:1915.0 285:487.0 286:1086.0 288:676.0 291:6056.0 292:1338.0 294:1470.0 295:391.0 296:814.0 299:24775.0 300:3392.0 301:43200.0 302:23109.0 303:11765.0 304:5454.0 305:3178.0 306:176.0 308:131.0 309:337.0 310:580.0 311:408.0 319:2182.0 320:1550.0 321:891.0 322:481.0 323:250.0 327:979.0 329:2734.0 330:2544.0 331:620.0 334:679.0 335:36.0 336:145.0 337:225.0 338:100.0 339:270.0 340:205.0 342:382.0 343:1022.0 344:4298.0 345:3099.0 346:2679.0 347:63151.0 348:57626.0 349:27955.0 350:9953.0 351:2666.0 352:666.0 355:7.0 361:772.0 362:22013.0 363:19106.0 364:9402.0 365:3375.0 366:988.0 367:311.0 369:10.0 376:80.0 377:131.0 378:36.0 381:53.0 382:51.0 383:38.0 384:17.0 385:264.0 387:246.0 391:105.0 392:49.0 395:96.0 396:87.0 397:3.0 399:118.0 401:181.0 402:67.0 406:16.0 410:43.0 411:106.0 412:90.0 413:69.0 414:68.0 415:66.0 418:6.0 419:250.0 420:208.0 421:218.0 422:88.0 423:8.0 424:88.0 425:90.0 426:99.0 427:97.0 428:61.0 429:225.0 430:129.0 431:120.0 432:3.0 438:85.0 439:5.0 440:49.0 441:77.0 442:51.0 443:80.0 444:66.0 445:211.0 446:216.0 447:126.0 448:13.0 449:10.0 450:74.0 451:111.0 452:59.0 453:94.0 454:95.0 455:101.0 456:99.0 457:92.0 458:40.0 459:119.0 460:121.0 461:70.0 462:55.0 463:12.0 464:44.0 465:89.0 466:105.0 467:48.0 468:104.0 469:44.0 470:67.0 471:106.0 472:100.0 473:97.0 474:91.0 475:119.0 476:36.0 477:104.0 478:76.0 479:31.0 480:92.0 481:83.0 482:90.0 483:98.0 484:95.0 485:102.0 486:53.0 487:101.0 488:52.0 489:96.0 490:94.0 491:88.0 492:101.0 493:88.0 494:80.0 495:7.0 496:19.0 497:38.0 498:9.0 499:59.0 500:102.0,C00064,5961,ZDXPYRJPNDTMRX-VKHMYHEASA-N,7949,12592,2433,1748,42472,10504,55463,72715,20507,15802,1761,2807,1531,1704,1201,14115,1244,1478,4696,1875
glutamic acid,529100,246,28,85:1143.0 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,WHUUTDBJXJRKMK-VKHMYHEASA-N,679788,1092316,337185,184912,793047,1240099,817862,942458,1026721,857072,153641,413446,201467,222185,194474,1188748,127967,181709,239842,178607
glucose-6-phosphate,812757,387,62248,85:20595.0 86:14230.0 87:13113.0 88:4780.0 89:90919.0 90:8396.0 91:7440.0 92:781.0 93:1301.0 94:1459.0 95:1657.0 96:4201.0 97:5865.0 98:4892.0 99:13986.0 100:23591.0 101:99970.0 102:25934.0 103:82450.0 104:9702.0 105:52916.0 106:7570.0 107:5998.0 108:1370.0 109:2079.0 110:2887.0 111:6399.0 112:6580.0 113:14339.0 114:24242.0 115:26760.0 116:43808.0 117:42229.0 118:6862.0 119:17014.0 120:2553.0 121:6771.0 122:1129.0 123:2546.0 124:2966.0 125:2295.0 126:4495.0 127:9711.0 128:10296.0 129:174551.0 130:42603.0 131:81912.0 132:13113.0 133:141877.0 134:20193.0 135:29275.0 136:3327.0 137:8793.0 138:6768.0 139:2616.0 140:3116.0 141:6936.0 142:10530.0 143:24328.0 144:4977.0 145:14135.0 146:3189.0 147:280290.0 148:44802.0 149:37862.0 150:5017.0 151:13486.0 152:3405.0 153:3684.0 154:3898.0 155:4774.0 156:4777.0 157:83904.0 158:19932.0 159:9739.0 160:190797.0 161:45958.0 162:11681.0 163:12974.0 164:2174.0 165:3985.0 166:1576.0 167:3530.0 168:4613.0 169:8428.0 170:5839.0 171:6166.0 172:5400.0 173:8062.0 174:4585.0 175:4684.0 176:1424.0 177:4192.0 178:1655.0 179:3694.0 180:3593.0 181:14104.0 182:3643.0 183:5289.0 184:1884.0 185:1916.0 186:13366.0 187:3917.0 188:1894.0 189:22297.0 190:6111.0 191:36718.0 192:7299.0 193:19119.0 194:4021.0 195:14269.0 196:6438.0 197:5655.0 198:2355.0 199:1417.0 200:2572.0 201:3234.0 202:2221.0 203:7447.0 204:30741.0 205:13833.0 206:4330.0 207:27963.0 208:6227.0 209:5904.0 210:6109.0 211:67777.0 212:16588.0 213:8046.0 214:3727.0 215:7010.0 216:11170.0 217:85141.0 218:21744.0 219:9084.0 220:1812.0 221:5396.0 222:1523.0 223:1189.0 224:302.0 225:23594.0 226:4873.0 227:15334.0 228:11541.0 229:9723.0 230:9779.0 231:14147.0 232:5414.0 233:2528.0 234:3771.0 235:1047.0 236:575.0 237:536.0 238:421.0 240:1588.0 241:3330.0 242:2448.0 243:10444.0 244:6283.0 245:2992.0 246:5017.0 247:37124.0 248:8557.0 249:3860.0 250:759.0 251:588.0 252:424.0 253:6254.0 254:2518.0 255:3097.0 256:2487.0 257:1191.0 258:822.0 259:2860.0 260:3057.0 261:1333.0 262:3616.0 263:936.0 264:519.0 265:592.0 266:293.0 267:1390.0 268:3969.0 269:8771.0 270:4796.0 271:2386.0 272:1170.0 273:594.0 274:6885.0 275:2639.0 276:1710.0 277:1223.0 278:570.0 279:299.0 280:183.0 281:349.0 282:303.0 283:9159.0 284:3745.0 285:8126.0 286:5256.0 287:2037.0 288:752.0 289:788.0 290:700.0 291:4145.0 292:1308.0 293:769.0 294:337.0 295:313.0 296:196.0 297:707.0 298:5419.0 299:202404.0 300:58501.0 301:30372.0 302:7889.0 303:2408.0 304:1218.0 305:3786.0 306:1492.0 307:1268.0 308:661.0 309:743.0 310:457.0 311:616.0 312:498.0 313:4699.0 314:13632.0 315:81064.0 316:22393.0 317:13212.0 318:3834.0 319:3877.0 320:1293.0 321:580.0 322:138.0 323:147.0 324:197.0 325:235.0 326:173.0 327:613.0 328:2994.0 329:1132.0 330:1513.0 331:24855.0 332:8019.0 333:4159.0 334:1013.0 335:328.0 336:156.0 337:131.0 338:79.0 339:79.0 340:550.0 341:8749.0 342:4439.0 343:3036.0 344:1173.0 345:590.0 346:463.0 347:341.0 348:368.0 349:246.0 350:266.0 351:232.0 352:220.0 353:249.0 354:218.0 355:344.0 356:2836.0 357:65657.0 358:22692.0 359:11241.0 360:3025.0 361:992.0 362:343.0 363:351.0 364:3955.0 365:1400.0 366:646.0 367:226.0 368:140.0 369:1743.0 370:1608.0 371:2038.0 372:1195.0 373:4401.0 374:3055.0 375:1408.0 376:2204.0 377:973.0 378:426.0 379:193.0 380:140.0 381:317.0 382:248.0 383:731.0 384:507.0 385:1116.0 386:12134.0 387:201250.0 388:76893.0 389:47546.0 390:13623.0 391:4413.0 392:1487.0 393:496.0 394:120.0 395:140.0 396:126.0 398:72.0 399:116.0 400:68.0 401:106.0 402:366.0 403:3403.0 404:1356.0 405:855.0 406:344.0 407:1987.0 408:829.0 409:304.0 410:150.0 411:82.0 412:75.0 413:73.0 414:111.0 415:545.0 416:268.0 417:217.0 418:180.0 419:147.0 420:227.0 421:251.0 422:232.0 423:192.0 424:169.0 425:137.0 426:152.0 427:199.0 428:276.0 429:418.0 430:292.0 431:347.0 432:537.0 433:520.0 434:346.0 435:202.0 436:193.0 437:160.0 438:178.0 439:138.0 440:195.0 441:202.0 442:425.0 443:2040.0 444:1181.0 445:707.0 446:372.0 447:326.0 448:586.0 449:506.0 450:453.0 451:258.0 452:332.0 453:180.0 454:188.0 455:256.0 456:178.0 457:157.0 458:179.0 459:1032.0 460:648.0 461:1165.0 462:615.0 463:373.0 464:575.0 465:283.0 466:233.0 467:147.0 468:206.0 469:211.0 470:2179.0 471:23083.0 472:11568.0 473:6551.0 474:2290.0 475:889.0 476:309.0 477:158.0 478:81.0 479:48.0 480:157.0 481:77.0 482:91.0 483:108.0 484:50.0 485:71.0 486:58.0 487:60.0 488:48.0 489:53.0 490:40.0 491:31.0 492:44.0 493:37.0 494:94.0 495:122.0 496:105.0 497:68.0 498:34.0 499:156.0 500:123.0,C01172,439427,NBSCHQHZLSJFNQ-VFUOTHLCSA-N,251,193,67,172,392,325,602,610,474,504,186,232,196,167,245,637,179,204,933,185
glucose-1-phosphate,594647,217,3167,85:385.0 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,HXXFSFRBOHSIMQ-VFUOTHLCSA-N,2468,1763,1021,650,5496,2547,4639,3095,1467,3526,583,1389,5255,3824,6301,47355,4801,5628,30761,10627
glucose,650867,319,5,85:8086.0 86:11427.0 87:11651.0 88:7928.0 89:100314.0 90:8478.0 91:4620.0 92:397.0 93:206.0 94:821.0 95:652.0 96:898.0 97:3635.0 98:2475.0 99:9503.0 100:22000.0 101:34521.0 102:17924.0 103:194583.0 104:19618.0 105:50627.0 106:5040.0 107:1934.0 108:375.0 109:525.0 110:1483.0 111:3999.0 112:3200.0 113:7268.0 114:21434.0 115:15337.0 116:11291.0 117:146841.0 118:15191.0 119:15558.0 120:1398.0 121:846.0 122:223.0 123:114.0 124:382.0 125:855.0 126:2979.0 127:5981.0 128:6375.0 129:159047.0 130:31010.0 131:45433.0 132:8024.0 133:99544.0 134:14178.0 135:8396.0 136:631.0 137:386.0 138:656.0 139:629.0 140:1158.0 141:2806.0 142:7020.0 143:21516.0 144:3572.0 145:9725.0 146:2185.0 147:430683.0 148:68523.0 149:42071.0 150:4467.0 151:1946.0 152:975.0 153:618.0 154:1081.0 155:1364.0 156:1805.0 157:95245.0 158:18131.0 159:7486.0 160:197870.0 161:33042.0 162:9309.0 163:11959.0 164:1731.0 165:806.0 166:399.0 167:338.0 168:1632.0 169:2904.0 170:1769.0 171:1022.0 172:4095.0 173:4906.0 174:2259.0 175:6023.0 176:1360.0 177:5326.0 178:1094.0 179:805.0 180:915.0 181:566.0 182:779.0 183:312.0 184:603.0 185:952.0 186:3212.0 187:1452.0 188:1277.0 189:36728.0 190:10773.0 191:18184.0 192:3252.0 193:1777.0 194:323.0 195:259.0 196:831.0 197:376.0 198:843.0 199:390.0 200:1555.0 201:8115.0 202:2585.0 203:5739.0 204:35374.0 205:198553.0 206:39805.0 207:21339.0 208:2833.0 209:680.0 210:3080.0 211:570.0 212:581.0 213:303.0 214:1267.0 215:3098.0 216:9866.0 217:106617.0 218:22753.0 219:10020.0 220:1553.0 221:7319.0 222:1603.0 223:925.0 224:306.0 225:174.0 226:315.0 227:350.0 228:1184.0 229:24164.0 230:7221.0 231:13292.0 232:4724.0 233:4836.0 234:3225.0 235:967.0 236:364.0 237:397.0 238:209.0 239:239.0 240:1124.0 241:572.0 242:1031.0 243:1936.0 244:3074.0 245:1520.0 246:2987.0 247:1392.0 248:636.0 249:345.0 250:243.0 251:140.0 252:92.0 253:316.0 254:534.0 255:374.0 256:1282.0 257:525.0 258:308.0 259:776.0 260:738.0 261:515.0 262:3930.0 263:1002.0 264:517.0 265:856.0 266:280.0 267:184.0 268:1109.0 269:2144.0 270:1132.0 271:514.0 272:269.0 273:321.0 274:4527.0 275:1186.0 276:1014.0 277:4707.0 278:1890.0 279:853.0 280:183.0 281:47.0 284:90.0 286:338.0 287:63.0 288:220.0 289:146.0 290:394.0 291:8635.0 292:2307.0 293:1306.0 294:145.0 295:82.0 300:1525.0 301:400.0 302:703.0 303:374.0 304:518.0 305:5389.0 306:2249.0 307:4651.0 308:1249.0 309:375.0 313:45.0 314:162.0 315:101.0 316:155.0 317:312.0 318:2120.0 319:126687.0 320:40121.0 321:19008.0 322:3784.0 323:881.0 324:85.0 325:47.0 328:187.0 329:115.0 330:371.0 331:473.0 332:524.0 333:589.0 334:284.0 335:134.0 336:205.0 337:46.0 340:30.0 342:221.0 343:1006.0 344:828.0 345:382.0 346:204.0 348:44.0 350:69.0 353:49.0 356:39.0 358:387.0 359:194.0 360:197.0 363:140.0 364:2410.0 365:1214.0 366:542.0 367:196.0 368:68.0 373:72.0 374:1096.0 375:386.0 376:818.0 377:305.0 378:121.0 379:56.0 380:48.0 381:21.0 383:41.0 384:50.0 386:35.0 389:169.0 390:247.0 391:139.0 392:75.0 393:97.0 394:88.0 402:79.0 405:55.0 406:85.0 407:41.0 408:44.0 409:40.0 416:45.0 420:39.0 421:19.0 425:38.0 429:36.0 432:160.0 433:121.0 434:66.0 435:38.0 444:27.0 448:189.0 449:32.0 450:97.0 452:27.0 462:24.0 464:323.0 465:191.0 466:331.0 467:229.0 468:112.0 469:59.0 471:29.0 472:34.0 475:23.0 479:38.0 480:69.0 482:29.0 484:38.0 487:18.0 488:33.0 489:32.0 492:30.0 497:17.0 499:24.0,C00221,64689,WQZGKKKJIJFFOK-VFUOTHLCSA-N,51689,63963,29104,54016,188674,117174,583510,454271,157969,78114,30138,23429,37733,9064,30050,197680,22723,26684,53490,9232
glucosaminic acid,709426,291,88042,85:323.0 86:795.0 87:656.0 88:159.0 89:1762.0 90:184.0 96:59.0 98:161.0 99:381.0 100:5031.0 101:3212.0 102:1198.0 103:11068.0 104:922.0 105:546.0 110:91.0 111:164.0 112:133.0 113:251.0 114:288.0 115:592.0 116:443.0 117:5639.0 118:613.0 119:540.0 120:35.0 121:11.0 122:7.0 123:8.0 124:70.0 125:76.0 127:213.0 128:512.0 129:7069.0 130:1640.0 131:1949.0 132:1335.0 133:3241.0 134:535.0 135:220.0 136:91.0 140:355.0 141:137.0 142:896.0 143:849.0 144:387.0 145:279.0 146:555.0 147:18042.0 148:2912.0 149:1475.0 150:143.0 151:56.0 152:445.0 153:126.0 154:122.0 155:23.0 156:189.0 157:2705.0 158:740.0 159:637.0 160:338.0 161:182.0 162:145.0 163:434.0 164:70.0 165:38.0 166:106.0 167:21.0 168:1320.0 169:188.0 170:192.0 171:53.0 172:492.0 173:193.0 174:386.0 175:304.0 176:129.0 177:174.0 178:21.0 180:60.0 181:6.0 182:100.0 184:86.0 185:67.0 186:18.0 187:68.0 188:525.0 189:1371.0 190:487.0 191:791.0 192:194.0 193:1.0 194:37.0 196:153.0 197:11.0 198:56.0 199:72.0 200:190.0 201:181.0 202:435.0 203:1924.0 204:1598.0 205:6326.0 206:1403.0 207:644.0 208:76.0 209:18.0 210:6.0 211:39.0 212:88.0 213:20.0 214:303.0 215:174.0 216:1323.0 217:3938.0 218:6192.0 219:1946.0 220:731.0 221:434.0 222:140.0 223:130.0 224:55.0 226:237.0 227:10.0 228:184.0 229:917.0 230:395.0 231:251.0 232:230.0 233:30.0 234:30.0 235:3.0 236:16.0 237:9.0 238:47.0 239:6.0 240:989.0 241:285.0 242:333.0 243:98.0 244:361.0 245:126.0 246:106.0 247:51.0 248:97.0 249:52.0 250:21.0 254:4.0 255:25.0 256:71.0 257:32.0 258:548.0 259:159.0 260:201.0 261:81.0 262:11.0 263:42.0 264:56.0 265:28.0 266:50.0 267:19.0 268:99.0 269:9.0 270:75.0 272:29.0 273:11.0 274:44.0 275:41.0 276:135.0 277:329.0 278:101.0 279:87.0 280:71.0 282:15.0 283:6.0 284:17.0 285:4.0 286:99.0 287:23.0 288:101.0 289:66.0 290:215.0 291:6720.0 292:2177.0 293:1004.0 294:308.0 295:30.0 296:17.0 298:12.0 300:70.0 301:39.0 302:63.0 303:30.0 304:441.0 305:425.0 306:212.0 307:315.0 308:116.0 309:10.0 311:28.0 312:69.0 313:20.0 314:32.0 315:30.0 316:81.0 317:63.0 318:117.0 319:2955.0 320:1378.0 321:579.0 322:139.0 323:91.0 324:14.0 325:25.0 326:51.0 327:1.0 328:63.0 329:32.0 330:727.0 331:316.0 332:1356.0 333:447.0 334:279.0 335:76.0 336:53.0 337:28.0 338:18.0 340:11.0 341:29.0 342:38.0 343:25.0 344:52.0 345:13.0 346:13.0 347:32.0 348:59.0 349:28.0 350:25.0 352:33.0 353:24.0 355:36.0 356:30.0 357:24.0 358:158.0 359:56.0 360:113.0 361:55.0 362:45.0 364:10.0 365:41.0 366:28.0 367:5.0 368:14.0 371:22.0 372:24.0 373:19.0 374:24.0 375:49.0 377:31.0 379:33.0 380:35.0 382:24.0 383:37.0 384:16.0 385:26.0 386:16.0 387:34.0 388:47.0 389:34.0 390:8.0 391:15.0 392:18.0 393:18.0 394:46.0 395:26.0 396:16.0 397:26.0 398:13.0 399:6.0 400:14.0 401:35.0 402:43.0 403:41.0 404:73.0 405:20.0 406:29.0 407:45.0 408:36.0 409:38.0 410:15.0 411:2.0 412:53.0 416:9.0 417:38.0 418:19.0 419:55.0 420:864.0 421:364.0 422:227.0 423:102.0 424:53.0 425:14.0 426:26.0 428:16.0 429:12.0 431:7.0 432:58.0 433:13.0 434:55.0 435:3.0 437:9.0 438:56.0 439:24.0 443:7.0 444:17.0 446:15.0 447:61.0 448:35.0 449:74.0 450:70.0 451:34.0 452:2.0 453:26.0 454:26.0 456:7.0 457:6.0 458:24.0 461:45.0 462:3.0 463:3.0 466:30.0 467:13.0 468:31.0 469:26.0 471:9.0 472:19.0 473:4.0 474:15.0 477:24.0 478:28.0 479:26.0 480:40.0 482:20.0 484:9.0 485:3.0 486:7.0 487:11.0 488:23.0 489:21.0 490:24.0 491:13.0 492:7.0 493:25.0 494:79.0 495:45.0 496:45.0 497:12.0 498:33.0 499:41.0 500:14.0,C03752,73563,UFYKDFXCZBTLOO-TXICZTDVSA-N,185,184,162,178,287,155,238,316,224,204,243,239,237,98,324,3157,310,329,579,101
gluconic acid lactone,645815,220,3502,87:376.0 89:418.0 91:200.0 93:213.0 94:7.0 95:277.0 97:419.0 98:28.0 99:247.0 100:286.0 101:1266.0 102:1454.0 103:3165.0 104:660.0 105:405.0 106:2.0 107:9.0 109:98.0 111:303.0 112:10.0 113:395.0 115:310.0 117:3173.0 118:208.0 119:432.0 120:76.0 121:161.0 122:35.0 123:45.0 125:72.0 127:87.0 128:55.0 129:13415.0 130:2506.0 131:1543.0 132:118.0 133:3838.0 134:325.0 135:258.0 136:14.0 137:2.0 138:26.0 141:133.0 142:141.0 143:1366.0 145:389.0 147:11740.0 148:1908.0 149:4729.0 150:493.0 151:259.0 152:2.0 153:98.0 154:28.0 155:418.0 156:123.0 157:2620.0 158:252.0 159:132.0 160:108.0 161:157.0 162:46.0 163:139.0 164:22.0 167:84.0 169:1466.0 170:201.0 171:421.0 172:65.0 175:73.0 177:191.0 184:14.0 185:117.0 186:13.0 187:22.0 189:2316.0 190:468.0 191:1233.0 192:179.0 196:1.0 197:253.0 198:16.0 199:25.0 201:524.0 202:47.0 203:464.0 204:1891.0 205:773.0 206:179.0 207:68.0 210:5.0 212:15.0 215:359.0 216:15.0 217:2256.0 218:485.0 219:727.0 220:3024.0 221:809.0 222:262.0 223:169.0 225:14.0 227:89.0 229:2007.0 230:610.0 231:348.0 232:51.0 233:82.0 234:16.0 236:13.0 241:41.0 242:14.0 243:1111.0 244:231.0 245:456.0 246:60.0 247:29.0 250:4.0 257:191.0 258:55.0 259:226.0 271:322.0 272:48.0 273:69.0 277:14.0 287:17.0 289:59.0 290:7.0 291:85.0 292:93.0 293:17.0 295:25.0 298:24.0 299:3.0 300:5.0 304:6.0 305:123.0 306:46.0 316:60.0 317:142.0 318:36.0 319:2416.0 320:778.0 321:274.0 322:75.0 330:1.0 331:168.0 332:126.0 333:414.0 334:86.0 335:190.0 336:17.0 338:2.0 345:8.0 354:24.0 361:149.0 362:11.0 367:2.0 369:12.0 375:1.0 376:6.0 377:12.0 383:2.0 386:28.0 388:1.0 389:6.0 390:3.0 394:19.0 398:3.0 399:13.0 407:15.0 412:1.0 415:3.0 424:1.0 432:26.0 437:10.0 448:46.0 451:23.0 453:1.0 466:55.0 474:13.0 476:12.0 498:37.0,C00198,7027,PHOQVHQSTUBQQK-SQOUGZDYSA-N,375,456,275,277,451,382,1469,1581,870,586,248,243,222,150,249,727,222,258,12201,3064
gluconic acid,693148,333,7501,87:39.0 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,RGHNJXZEOKUKBD-QTBDOELSSA-N,1758,3559,976,657,2894,2445,3521,3433,1921,1334,692,621,504,392,631,3715,548,324,156061,41637
galacturonic acid,669400,333,131445,85:1361.0 86:2529.0 88:750.0 89:21261.0 90:1552.0 91:867.0 92:119.0 93:210.0 94:209.0 95:161.0 98:431.0 99:2655.0 100:2868.0 101:4337.0 102:5377.0 103:12489.0 104:1477.0 105:12704.0 106:1273.0 107:408.0 109:208.0 110:156.0 111:792.0 112:799.0 113:1649.0 114:4067.0 115:3182.0 116:3013.0 117:3204.0 118:790.0 119:2407.0 120:446.0 121:317.0 122:92.0 125:201.0 126:859.0 127:1358.0 128:1637.0 129:8961.0 130:3754.0 131:10528.0 132:1999.0 133:22770.0 134:2621.0 135:1781.0 136:295.0 137:146.0 138:162.0 139:67.0 140:351.0 141:697.0 142:1652.0 143:27493.0 144:3511.0 145:2950.0 146:448.0 147:86998.0 148:13820.0 149:9230.0 150:913.0 151:758.0 152:398.0 153:268.0 154:310.0 155:581.0 156:435.0 157:1432.0 158:1642.0 159:872.0 160:70668.0 161:9991.0 162:3184.0 163:3383.0 164:523.0 165:361.0 166:191.0 167:105.0 168:730.0 169:501.0 170:633.0 171:10218.0 172:2387.0 173:1809.0 174:884.0 175:1216.0 176:185.0 177:597.0 178:123.0 180:57.0 182:430.0 183:456.0 184:107.0 185:235.0 186:396.0 187:309.0 188:268.0 189:18145.0 190:4014.0 191:7097.0 192:1362.0 193:854.0 194:219.0 195:377.0 196:118.0 198:164.0 200:692.0 201:659.0 202:235.0 203:1215.0 204:17777.0 205:2662.0 206:1384.0 207:1994.0 208:415.0 209:259.0 210:332.0 211:120.0 212:156.0 213:148.0 214:387.0 215:886.0 216:3541.0 217:13634.0 218:953.0 219:7653.0 220:1514.0 221:4439.0 222:1075.0 223:3171.0 224:718.0 225:238.0 226:178.0 228:615.0 229:810.0 230:468.0 231:3083.0 232:1316.0 233:777.0 234:665.0 235:250.0 236:88.0 237:207.0 238:129.0 240:520.0 241:207.0 242:413.0 243:426.0 244:432.0 245:1715.0 246:832.0 247:388.0 248:337.0 249:191.0 250:58.0 251:157.0 252:97.0 253:141.0 254:246.0 256:742.0 257:493.0 258:284.0 260:212.0 261:451.0 262:819.0 263:439.0 264:189.0 265:238.0 266:110.0 267:94.0 268:151.0 269:78.0 270:124.0 271:77.0 272:224.0 273:212.0 274:2662.0 275:617.0 276:386.0 277:2767.0 278:906.0 279:557.0 280:84.0 282:167.0 283:145.0 284:222.0 285:50.0 286:152.0 288:116.0 289:96.0 290:209.0 291:1656.0 292:2280.0 293:921.0 294:333.0 295:225.0 297:103.0 298:55.0 299:28.0 300:39.0 301:50.0 302:190.0 303:224.0 304:311.0 305:6229.0 306:2585.0 307:783.0 308:254.0 310:36.0 312:11.0 313:40.0 314:1445.0 315:393.0 316:283.0 317:150.0 318:949.0 319:1410.0 320:768.0 321:781.0 322:236.0 323:107.0 324:91.0 326:74.0 328:67.0 329:108.0 330:380.0 331:415.0 332:1794.0 333:57096.0 334:20631.0 335:9194.0 336:2202.0 337:624.0 338:148.0 339:62.0 341:118.0 342:107.0 343:21.0 344:289.0 345:647.0 346:194.0 347:319.0 348:131.0 349:87.0 350:82.0 351:254.0 352:68.0 353:52.0 356:98.0 357:39.0 358:58.0 359:49.0 360:104.0 361:300.0 362:153.0 363:106.0 364:2316.0 365:812.0 366:490.0 367:321.0 368:85.0 369:48.0 371:19.0 372:45.0 374:73.0 375:49.0 376:69.0 378:62.0 379:221.0 380:104.0 381:71.0 382:30.0 383:38.0 384:43.0 385:175.0 386:136.0 387:77.0 388:748.0 389:223.0 390:188.0 391:100.0 392:134.0 393:847.0 394:569.0 395:416.0 396:154.0 397:83.0 398:58.0 399:35.0 400:243.0 401:137.0 402:130.0 403:74.0 404:104.0 405:75.0 406:53.0 407:46.0 408:19.0 409:25.0 416:45.0 417:44.0 418:92.0 419:284.0 420:310.0 421:107.0 422:245.0 423:1820.0 424:1016.0 425:542.0 426:193.0 427:64.0 434:31.0 435:77.0 436:67.0 437:8.0 438:34.0 445:21.0 446:44.0 447:64.0 448:11.0 449:15.0 450:75.0 451:53.0 452:30.0 457:6.0 460:16.0 463:13.0 466:40.0 468:11.0 471:10.0 477:16.0 478:188.0 479:97.0 480:37.0 484:9.0,C08348,441476,AEMOLEFTQBMNLQ-DTEWXJGMSA-N,800,1619,586,484,3312,1320,3469,3280,1115,620,179,336,619,489,619,2603,530,505,7084,2000
galactose,648756,319,16668,85:620.0 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,WQZGKKKJIJFFOK-PHYPRBDBSA-N,6866,9375,4889,7759,17926,8933,78888,86885,32081,27007,4160,4874,1197,616,21311,5011,16342,19480,13966,2166
galactonic acid,690882,292,4706,85:918.0 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 99:1406.0 100:448.0 101:4514.0 102:3806.0 103:26292.0 104:2417.0 105:1403.0 106:36.0 107:255.0 108:13.0 109:160.0 110:149.0 111:353.0 112:80.0 113:956.0 114:440.0 115:1587.0 116:1106.0 117:12863.0 118:1333.0 119:1189.0 124:209.0 125:121.0 126:8.0 127:610.0 128:752.0 129:11296.0 130:3317.0 131:4665.0 132:800.0 133:8579.0 134:1371.0 135:1003.0 137:72.0 139:58.0 140:2168.0 141:374.0 142:355.0 143:5872.0 144:852.0 145:1079.0 146:408.0 147:47167.0 148:7284.0 149:5107.0 150:586.0 151:296.0 152:157.0 153:511.0 154:86.0 155:272.0 156:483.0 157:6540.0 158:559.0 159:1237.0 160:248.0 161:362.0 162:124.0 163:589.0 164:65.0 165:69.0 167:37.0 168:10.0 169:1360.0 170:252.0 171:913.0 172:233.0 173:443.0 175:1006.0 176:133.0 177:640.0 178:104.0 179:9.0 180:73.0 181:120.0 182:36.0 183:373.0 184:678.0 185:336.0 186:116.0 187:308.0 188:229.0 189:7197.0 190:1375.0 191:3434.0 192:833.0 193:596.0 194:135.0 196:32.0 197:688.0 198:123.0 199:102.0 201:1382.0 202:237.0 203:953.0 204:4065.0 205:13548.0 206:3004.0 207:2336.0 208:44.0 209:57.0 210:53.0 213:102.0 214:29.0 215:1938.0 216:446.0 217:19325.0 218:4329.0 219:2918.0 220:1066.0 221:2947.0 222:674.0 223:431.0 224:31.0 225:42.0 226:28.0 227:218.0 228:156.0 229:2564.0 230:630.0 231:1050.0 232:489.0 233:195.0 235:6.0 237:52.0 238:16.0 239:13.0 240:19.0 241:285.0 242:81.0 243:485.0 244:361.0 245:1109.0 246:255.0 247:859.0 248:142.0 249:209.0 250:109.0 251:2.0 252:36.0 253:91.0 254:108.0 255:94.0 256:41.0 257:274.0 258:81.0 259:409.0 260:129.0 261:241.0 262:138.0 263:243.0 264:130.0 265:217.0 266:171.0 267:45.0 269:316.0 270:46.0 271:197.0 272:26.0 273:137.0 274:66.0 275:152.0 276:12.0 277:2466.0 278:690.0 279:402.0 280:137.0 281:7.0 285:11.0 287:98.0 288:20.0 289:101.0 291:2201.0 292:13303.0 293:4633.0 294:2236.0 295:578.0 296:99.0 297:93.0 298:12.0 299:134.0 300:215.0 301:34.0 302:65.0 304:179.0 305:6083.0 306:1858.0 307:1958.0 308:588.0 309:268.0 310:13.0 311:20.0 312:65.0 314:3.0 315:262.0 316:37.0 317:143.0 318:363.0 319:7680.0 320:2624.0 321:1656.0 322:326.0 323:138.0 325:21.0 327:84.0 328:25.0 330:33.0 331:1059.0 332:283.0 333:5087.0 334:1929.0 335:922.0 336:241.0 337:49.0 338:34.0 339:13.0 340:8.0 342:15.0 343:226.0 344:24.0 345:654.0 346:291.0 347:196.0 348:43.0 349:8.0 351:21.0 352:10.0 354:30.0 358:66.0 359:1600.0 360:594.0 361:358.0 362:118.0 363:25.0 367:7.0 368:15.0 370:1.0 371:20.0 375:43.0 376:33.0 379:293.0 380:213.0 381:57.0 384:12.0 385:15.0 387:24.0 389:371.0 390:301.0 391:84.0 392:10.0 393:120.0 394:144.0 395:53.0 396:7.0 399:2.0 400:7.0 401:17.0 402:16.0 405:253.0 406:324.0 407:321.0 408:70.0 409:83.0 410:3.0 413:30.0 417:9.0 418:36.0 419:29.0 420:96.0 421:162.0 422:106.0 423:303.0 424:83.0 425:44.0 426:2.0 427:11.0 429:25.0 432:59.0 433:1202.0 434:715.0 435:913.0 436:460.0 437:163.0 438:18.0 439:6.0 440:11.0 441:10.0 442:11.0 446:1.0 447:29.0 448:38.0 449:28.0 450:22.0 451:16.0 452:5.0 463:1.0 472:6.0 475:4.0 478:2.0 481:16.0 486:2.0 489:1.0 494:10.0 499:23.0,C00880,128869,RGHNJXZEOKUKBD-MGCNEYSASA-N,1661,809,242,407,1242,1361,2138,1796,653,182,303,770,3321,2633,3567,16962,2129,2206,89396,36034
galactinol,1017580,204,1975,85:17.0 86:36.0 87:46.0 88:20.0 97:9.0 99:36.0 101:68.0 102:47.0 103:1462.0 104:144.0 105:69.0 111:44.0 116:13.0 117:137.0 118:2.0 122:4.0 124:26.0 125:24.0 129:1340.0 130:121.0 131:155.0 133:138.0 136:13.0 139:5.0 140:38.0 142:58.0 143:185.0 144:24.0 147:1783.0 148:114.0 149:219.0 153:11.0 154:30.0 155:123.0 156:92.0 157:109.0 158:4.0 159:4.0 161:42.0 163:14.0 164:29.0 165:10.0 168:5.0 169:376.0 170:56.0 171:2.0 173:58.0 175:35.0 177:115.0 178:39.0 181:12.0 185:19.0 187:13.0 189:139.0 190:45.0 191:1472.0 192:307.0 194:33.0 196:37.0 197:9.0 201:20.0 202:17.0 203:91.0 204:5560.0 205:1128.0 206:415.0 207:372.0 208:183.0 211:12.0 215:26.0 217:1852.0 218:386.0 219:78.0 221:185.0 222:141.0 224:24.0 229:24.0 230:118.0 231:36.0 233:43.0 237:11.0 243:164.0 244:13.0 245:14.0 246:5.0 251:9.0 253:49.0 258:2.0 265:19.0 271:74.0 272:33.0 276:18.0 277:2.0 281:127.0 283:91.0 286:2.0 291:63.0 293:3.0 294:31.0 299:60.0 301:23.0 304:20.0 305:190.0 306:73.0 311:20.0 313:33.0 315:52.0 317:39.0 318:29.0 319:47.0 320:15.0 321:3.0 325:18.0 327:80.0 330:18.0 342:28.0 343:71.0 344:6.0 350:1.0 354:3.0 355:10.0 361:195.0 362:39.0 368:30.0 370:4.0 379:35.0 384:23.0 389:19.0 390:11.0 392:31.0 396:15.0 399:4.0 402:3.0 407:3.0 408:1.0 410:5.0 412:19.0 413:16.0 415:39.0 422:8.0 426:1.0 432:15.0 433:84.0 434:15.0 435:42.0 437:31.0 446:5.0 454:18.0 456:30.0 475:1.0 477:2.0 486:16.0 488:7.0 491:11.0 497:27.0 500:3.0,C01235,11727586,VCWMRQDBPZKXKG-ZNVDUFQESA-N,1782,2613,1622,2116,5472,5559,8364,4088,5140,4608,2108,1530,20415,7047,118973,1156542,7307,18885,1927313,219004
fumaric acid,392338,245,64523,87:4096.0 89:14447.0 93:5424.0 95:1377.0 97:17909.0 98:22930.0 99:25859.0 103:25556.0 104:4519.0 105:12225.0 106:1044.0 108:401.0 109:85.0 111:5421.0 113:36144.0 114:4711.0 115:203643.0 116:17056.0 117:40588.0 118:8308.0 119:17857.0 120:1207.0 121:1194.0 122:832.0 123:134.0 126:21945.0 127:60663.0 128:24748.0 129:5497.0 131:43947.0 132:16519.0 133:243740.0 134:26331.0 135:17144.0 136:749.0 138:220.0 142:11736.0 143:306504.0 144:10266.0 145:4658.0 147:1100136.0 148:148899.0 149:135665.0 150:11477.0 151:6751.0 153:1227.0 155:127196.0 156:13954.0 157:60237.0 158:1751.0 159:8454.0 161:1756.0 164:30.0 167:44.0 170:20578.0 171:18060.0 173:8605.0 178:338.0 180:295.0 182:635.0 188:5514.0 190:1275.0 191:2006.0 192:869.0 194:369.0 195:251.0 196:134.0 198:342.0 199:1382.0 201:15318.0 202:3380.0 203:2797.0 204:16378.0 206:2269.0 207:703.0 208:1082.0 209:561.0 210:542.0 212:129.0 213:1139.0 214:734.0 215:9423.0 216:4417.0 217:67553.0 218:32996.0 219:15167.0 220:4539.0 221:1901.0 222:229.0 223:93.0 225:709.0 226:236.0 227:1247.0 228:243.0 229:1410.0 230:2868.0 231:1296.0 232:632.0 233:140.0 234:388.0 235:366.0 237:464.0 239:355.0 242:3687.0 243:940.0 244:3435.0 245:1277245.0 246:125549.0 247:66109.0 259:1753.0 260:286.0 266:266.0 268:26.0 282:214.0 294:16.0 298:2487.0 312:21.0 318:8.0 324:15.0 325:12.0 336:27.0 337:23.0 338:7.0 339:26.0 340:9.0 343:16.0 345:26.0 346:13.0 347:13.0 348:25.0 350:4.0 351:17.0 352:6.0 354:39.0 355:49.0 359:38.0 360:37.0 361:19.0 364:34.0 365:35.0 367:25.0 369:6.0 374:26.0 378:36.0 379:16.0 381:17.0 384:26.0 385:32.0 390:20.0 391:28.0 393:9.0 395:29.0 397:20.0 399:34.0 400:18.0 401:35.0 402:5.0 404:25.0 405:4.0 408:30.0 411:6.0 412:22.0 414:14.0 415:15.0 417:28.0 421:31.0 426:16.0 427:2.0 428:35.0 429:19.0 431:6.0 432:7.0 434:36.0 436:15.0 437:22.0 438:33.0 439:10.0 441:26.0 442:13.0 447:3.0 448:5.0 449:17.0 451:11.0 454:11.0 458:29.0 461:23.0 462:7.0 463:41.0 464:20.0 466:6.0 467:9.0 468:24.0 469:29.0 471:1.0 472:29.0 474:19.0 476:14.0 477:3.0 479:17.0 480:29.0 483:8.0 485:11.0 486:35.0 487:4.0 488:29.0 489:31.0 490:27.0 491:32.0 493:1.0 494:19.0 498:31.0 499:24.0,C00122,444972,VZCYOOQTPOCHFL-OWOJBTEDSA-N,1213,4876,1140,1920,15137,3048,13492,17477,5450,3973,2772,1545,6223,3112,5916,195295,7051,8483,13759,2317
fucose,578299,160,3009,85:191.0 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,SHZGCJCMOBCMKK-FPRJBGLDSA-N,7205,8158,8803,9969,22101,21457,33069,32255,29633,12452,5390,4598,11112,5976,6646,14311,10707,10842,5473,2133
fructose,639442,307,21,85:1065.0 86:372.0 87:1570.0 88:1347.0 89:11886.0 90:1027.0 91:450.0 94:125.0 95:108.0 96:150.0 97:341.0 98:337.0 99:854.0 100:2150.0 101:3537.0 102:951.0 103:87115.0 104:8453.0 105:4107.0 106:219.0 110:160.0 111:332.0 112:91.0 113:824.0 114:1370.0 115:1277.0 116:899.0 117:11742.0 118:1067.0 119:1473.0 120:185.0 121:95.0 124:47.0 125:43.0 126:175.0 127:390.0 129:7908.0 130:1485.0 131:4620.0 132:643.0 133:13456.0 134:1710.0 135:838.0 136:63.0 137:46.0 138:36.0 139:93.0 140:151.0 141:118.0 142:668.0 143:1229.0 144:315.0 145:720.0 146:131.0 147:31566.0 148:5489.0 149:3353.0 150:427.0 151:161.0 152:101.0 153:38.0 154:144.0 155:93.0 156:316.0 157:991.0 158:386.0 159:304.0 160:97.0 161:176.0 162:65.0 163:975.0 164:200.0 165:158.0 166:46.0 167:27.0 168:108.0 169:86.0 170:294.0 171:86.0 172:1946.0 173:2066.0 174:149.0 175:765.0 176:95.0 177:455.0 178:99.0 179:46.0 180:136.0 181:27.0 182:79.0 183:67.0 184:145.0 185:151.0 186:280.0 187:155.0 188:268.0 189:4443.0 190:966.0 191:2168.0 192:369.0 193:183.0 194:35.0 196:50.0 198:88.0 199:60.0 200:53.0 201:988.0 202:686.0 203:527.0 204:2075.0 205:3054.0 206:556.0 207:649.0 208:121.0 209:91.0 210:50.0 213:66.0 214:325.0 215:196.0 216:592.0 217:32679.0 218:6467.0 219:2774.0 220:406.0 221:829.0 222:195.0 223:53.0 224:54.0 225:32.0 226:41.0 227:51.0 228:64.0 229:141.0 230:302.0 231:626.0 232:201.0 233:121.0 235:155.0 236:38.0 237:45.0 240:113.0 242:110.0 243:81.0 244:311.0 245:130.0 246:106.0 247:129.0 248:65.0 249:48.0 250:28.0 252:23.0 254:51.0 255:35.0 256:278.0 257:147.0 258:103.0 259:84.0 260:311.0 261:127.0 262:353.0 263:510.0 264:138.0 265:95.0 266:38.0 267:21.0 268:79.0 269:61.0 270:78.0 271:39.0 272:25.0 274:149.0 276:209.0 277:1848.0 278:638.0 279:300.0 280:98.0 281:22.0 283:22.0 288:125.0 289:70.0 290:47.0 291:449.0 292:105.0 293:43.0 294:44.0 296:21.0 299:13.0 300:42.0 302:94.0 303:109.0 304:86.0 305:195.0 306:216.0 307:8126.0 308:2307.0 309:1062.0 310:183.0 311:22.0 312:21.0 314:27.0 317:13.0 318:136.0 319:67.0 321:26.0 322:31.0 323:16.0 325:221.0 326:77.0 327:31.0 330:116.0 331:51.0 332:69.0 333:58.0 334:177.0 335:313.0 336:138.0 337:58.0 338:13.0 340:16.0 344:18.0 346:40.0 350:44.0 361:21.0 364:753.0 365:265.0 366:64.0 368:26.0 369:15.0 392:20.0 402:17.0 405:29.0 432:14.0 441:24.0 443:17.0 446:14.0 465:73.0 466:39.0 468:16.0 481:15.0 486:30.0,C02336,439709,RFSUNEUAIZKAJO-ARQDHWQXSA-N,874,989,559,996,3942,1065,3856,7070,3725,2609,706,657,2667,1918,3022,21544,2461,2784,1182,1678
ferulic acid,732779,338,14814,85:35.0 86:52.0 87:36.0 88:252.0 89:926.0 90:120.0 91:235.0 92:43.0 93:27.0 94:29.0 95:40.0 97:6.0 98:21.0 99:29.0 101:30.0 102:222.0 103:196.0 104:38.0 105:67.0 106:8.0 107:131.0 109:38.0 110:53.0 111:14.0 112:24.0 114:2.0 115:318.0 116:103.0 117:412.0 118:150.0 119:161.0 120:2.0 121:50.0 122:3.0 123:12.0 125:13.0 126:30.0 127:39.0 128:15.0 129:111.0 130:123.0 131:114.0 132:24.0 133:221.0 134:130.0 135:188.0 136:22.0 137:52.0 138:16.0 139:213.0 140:21.0 141:16.0 142:4.0 143:7.0 144:3.0 145:368.0 146:87.0 147:263.0 148:120.0 149:121.0 150:26.0 151:20.0 154:178.0 156:4.0 158:16.0 159:52.0 160:288.0 161:215.0 162:6.0 163:109.0 164:32.0 165:43.0 166:11.0 168:1.0 169:6.0 170:1.0 171:3.0 173:37.0 174:31.0 175:429.0 176:75.0 177:68.0 178:31.0 179:340.0 180:59.0 181:2.0 182:9.0 184:7.0 185:1.0 186:3.0 187:15.0 188:34.0 189:102.0 190:274.0 191:459.0 192:229.0 193:108.0 194:2.0 195:12.0 196:13.0 199:5.0 200:2.0 201:5.0 202:27.0 203:230.0 204:96.0 205:94.0 206:20.0 207:62.0 208:13.0 209:126.0 210:16.0 211:2.0 212:1.0 215:8.0 216:5.0 217:60.0 218:268.0 219:506.0 220:104.0 221:80.0 222:42.0 223:27.0 224:3.0 226:8.0 227:2.0 228:14.0 231:6.0 232:20.0 233:104.0 234:25.0 235:15.0 236:30.0 238:12.0 239:2.0 241:4.0 242:2.0 243:9.0 244:1.0 247:20.0 248:23.0 249:1141.0 250:206.0 251:91.0 252:1.0 253:6.0 254:10.0 255:9.0 261:3.0 262:9.0 263:51.0 264:59.0 265:49.0 266:10.0 267:1.0 268:14.0 272:6.0 273:16.0 274:1.0 275:5.0 276:6.0 279:275.0 280:111.0 281:79.0 282:18.0 283:7.0 284:18.0 285:5.0 289:5.0 290:2.0 291:5.0 292:7.0 293:924.0 294:259.0 295:115.0 296:25.0 297:12.0 300:8.0 301:9.0 302:10.0 305:18.0 306:10.0 307:56.0 308:1042.0 309:369.0 310:109.0 311:34.0 312:18.0 313:4.0 314:10.0 316:2.0 318:9.0 319:3.0 322:31.0 323:1043.0 324:356.0 325:113.0 326:29.0 327:5.0 328:2.0 329:14.0 330:7.0 331:23.0 332:20.0 334:5.0 335:3.0 336:16.0 337:44.0 338:1248.0 339:374.0 340:144.0 341:46.0 342:2.0 343:5.0 345:5.0 346:1.0 347:9.0 349:7.0 354:4.0 356:1.0 357:1.0 358:13.0 359:4.0 360:3.0 362:5.0 363:1.0 366:8.0 367:12.0 369:4.0 370:12.0 371:1.0 372:4.0 373:5.0 375:6.0 377:4.0 378:3.0 379:6.0 381:2.0 387:6.0 390:1.0 392:7.0 394:1.0 397:2.0 398:3.0 399:7.0 406:2.0 412:13.0 414:2.0 415:1.0 416:2.0 417:5.0 418:6.0 421:2.0 422:3.0 423:6.0 424:5.0 428:12.0 431:10.0 432:1.0 434:3.0 437:4.0 438:3.0 439:2.0 440:6.0 441:3.0 442:1.0 444:1.0 447:1.0 448:2.0 449:13.0 450:11.0 451:13.0 452:3.0 455:5.0 458:9.0 459:1.0 460:7.0 461:1.0 464:2.0 466:4.0 468:9.0 469:16.0 470:4.0 471:5.0 472:4.0 474:10.0 475:1.0 477:2.0 479:1.0 480:1.0 481:2.0 485:9.0 486:6.0 487:10.0 488:2.0 489:3.0 490:6.0 491:3.0 497:5.0 499:9.0 500:4.0,C01494,445858,KSEBMYQBYZTDHS-HWKANZROSA-N,244,169,307,330,1021,365,1083,876,575,391,289,296,651,485,1116,20097,2688,3084,4261,1117
ethanolamine,344719,174,3212,85:264.0 86:22410.0 87:2464.0 88:1167.0 89:864.0 90:146.0 91:145.0 92:17.0 93:231.0 95:19.0 98:171.0 99:314.0 100:23665.0 101:2784.0 102:1878.0 103:1289.0 104:174.0 105:611.0 107:614.0 108:113.0 110:216.0 111:30.0 112:10.0 113:773.0 114:2996.0 115:1679.0 116:1285.0 117:1574.0 118:333.0 119:1092.0 120:245.0 121:402.0 122:18.0 123:33.0 124:42.0 128:44.0 129:170.0 130:2698.0 131:3342.0 132:927.0 133:8712.0 134:1031.0 135:1490.0 136:212.0 137:520.0 139:68.0 142:63.0 143:25.0 144:719.0 145:46.0 146:391.0 147:13692.0 148:2351.0 149:825.0 150:32.0 151:383.0 152:10.0 153:55.0 159:25.0 160:116.0 161:45.0 162:42.0 163:5.0 165:167.0 166:112.0 167:183.0 172:1023.0 173:230.0 174:51790.0 175:9135.0 176:4211.0 177:576.0 178:96.0 179:234.0 180:2.0 181:415.0 182:28.0 183:27.0 184:47.0 187:62.0 188:760.0 189:413.0 190:45.0 191:553.0 192:109.0 193:818.0 194:130.0 195:134.0 197:31.0 200:27.0 204:147.0 207:641.0 208:87.0 209:69.0 210:81.0 211:1018.0 212:156.0 213:89.0 224:32.0 225:399.0 226:4.0 227:113.0 228:56.0 237:6.0 241:8.0 246:1.0 253:12.0 257:76.0 258:6.0 262:777.0 263:267.0 264:70.0 265:10.0 266:7.0 269:12.0 274:12.0 283:450.0 284:35.0 285:47.0 286:231.0 287:26.0 295:35.0 297:21.0 298:57.0 299:6468.0 300:1712.0 301:927.0 302:41.0 303:23.0 313:10.0 314:904.0 315:237.0 316:95.0 317:2.0 319:15.0 328:14.0 358:21.0 408:4.0 424:5.0 430:6.0 439:11.0 447:18.0 450:45.0 453:16.0 495:1.0 498:5.0,C00189,700,HZAXFHJVJLSVMW-UHFFFAOYSA-N,7982,17405,7765,10777,25582,19270,38029,36145,27844,19366,8709,3927,80302,28733,18232,19463,76931,65485,119527,35801
ethanol phosphate NIST,317291,211,100892,87:78.0 88:97.0 89:256.0 91:314.0 92:90.0 93:145.0 94:40.0 98:266.0 99:46.0 102:181.0 103:1317.0 104:160.0 105:416.0 106:296.0 107:321.0 108:142.0 109:166.0 110:48.0 113:54.0 114:59.0 115:794.0 116:181.0 117:169.0 118:90.0 119:551.0 120:74.0 121:445.0 123:467.0 127:77.0 128:49.0 129:30.0 131:211.0 132:149.0 133:4081.0 134:722.0 135:1706.0 136:99.0 137:1236.0 138:139.0 139:133.0 140:21.0 143:24.0 144:42.0 146:37.0 147:478.0 148:124.0 149:119.0 150:27.0 151:218.0 153:168.0 155:124.0 160:61.0 161:29.0 163:25.0 164:16.0 165:109.0 167:251.0 168:34.0 174:72.0 179:131.0 181:1164.0 182:100.0 183:479.0 187:15.0 189:45.0 191:31.0 193:131.0 195:508.0 196:119.0 197:211.0 198:46.0 199:47.0 201:18.0 203:25.0 205:28.0 206:17.0 208:34.0 209:24.0 210:111.0 211:13208.0 212:1741.0 213:981.0 214:111.0 218:30.0 219:22.0 224:22.0 225:325.0 226:258.0 227:1216.0 228:256.0 229:125.0 230:119.0 231:41.0 232:32.0 235:32.0 237:24.0 238:28.0 243:509.0 244:146.0 245:62.0 246:20.0 253:43.0 255:1762.0 256:360.0 257:206.0 262:25.0 268:30.0 269:55.0 270:673.0 271:157.0 272:51.0 273:36.0 281:22.0 283:35.0 286:23.0 296:25.0 299:30.0 308:38.0 315:20.0 316:14.0 317:33.0 321:16.0 323:13.0 346:18.0 402:15.0 410:20.0 431:12.0 443:32.0 453:13.0 465:23.0 470:22.0 476:13.0 478:22.0 481:13.0 484:26.0 485:15.0 486:31.0 487:18.0 488:15.0 489:18.0 490:23.0 491:32.0 492:15.0 496:22.0,,,,652,583,583,300,1738,486,4214,1812,701,1034,259,665,229,352,498,3124,267,384,511,355
erythrose,443306,205,102661,85:252.0 86:309.0 87:286.0 88:262.0 89:3396.0 90:347.0 98:95.0 99:207.0 100:1047.0 101:1152.0 102:512.0 103:2966.0 104:321.0 105:570.0 111:37.0 112:126.0 113:92.0 114:259.0 115:522.0 116:243.0 117:8801.0 118:811.0 119:677.0 120:43.0 121:19.0 125:24.0 126:85.0 127:101.0 128:90.0 129:712.0 130:1223.0 131:821.0 132:198.0 133:2835.0 134:401.0 135:233.0 140:40.0 141:30.0 142:111.0 143:111.0 144:41.0 145:75.0 146:37.0 147:12953.0 148:2079.0 149:1057.0 150:150.0 151:63.0 154:58.0 155:51.0 156:30.0 157:39.0 158:165.0 160:395.0 161:1979.0 162:253.0 163:560.0 164:55.0 169:17.0 170:38.0 172:75.0 173:90.0 174:34.0 175:128.0 177:231.0 178:37.0 179:24.0 182:25.0 183:24.0 184:38.0 185:26.0 186:132.0 188:50.0 189:213.0 190:44.0 192:28.0 193:35.0 195:19.0 200:94.0 201:105.0 202:64.0 203:124.0 204:154.0 205:5285.0 206:1027.0 207:402.0 208:61.0 215:24.0 216:165.0 217:158.0 218:79.0 219:24.0 221:59.0 223:21.0 228:52.0 229:28.0 230:19.0 231:94.0 232:55.0 233:175.0 234:112.0 244:42.0 245:21.0 260:113.0 261:26.0 262:156.0 263:41.0 287:19.0 288:16.0 291:42.0 298:20.0 303:19.0 304:12.0 307:21.0 319:34.0 327:22.0 329:18.0 335:18.0 350:32.0 357:23.0 400:19.0 470:17.0,C01796,439574,FMAORJIQYMIRHF-HERZVMAMSA-N,321,368,305,304,620,554,923,835,635,386,298,250,965,504,778,1696,673,1004,669,580
erythritol,471922,217,92,86:57.0 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,UNXHWFMMPAWVPI-ZXZARUISSA-N,380,517,319,386,831,998,1047,926,960,933,373,298,17014,16215,16768,57279,13793,13725,20346,20837
enolpyruvate NIST,234394,217,16823,85:72.0 86:319.0 87:712.0 88:700.0 89:28.0 90:24.0 91:16.0 92:32.0 93:3.0 97:16.0 99:126.0 100:271.0 101:92.0 102:495.0 103:57.0 104:47.0 105:38.0 106:90.0 107:819.0 108:294.0 110:702.0 111:342.0 113:543.0 114:39.0 115:324.0 118:82.0 120:96.0 124:11.0 125:301.0 126:257.0 127:693.0 130:102.0 131:827.0 133:419.0 134:585.0 136:215.0 137:19.0 143:30.0 144:43.0 146:3.0 147:26175.0 148:4289.0 149:2351.0 150:45.0 151:100.0 152:39.0 153:16.0 166:2.0 168:74.0 171:16.0 173:92.0 180:3.0 184:366.0 185:177.0 186:52.0 189:740.0 190:150.0 198:30.0 199:85.0 201:124.0 202:1.0 209:13.0 213:32.0 215:31.0 217:3207.0 218:576.0 219:243.0 228:13.0 244:71.0 245:10.0 246:7.0 253:4.0 255:35.0 262:4.0 266:6.0 269:4.0 274:14.0 277:3.0 280:18.0 288:14.0 318:18.0 326:4.0 331:11.0 332:3.0 336:24.0 340:10.0 346:2.0 359:21.0 361:4.0 363:1.0 367:7.0 376:18.0 379:3.0 380:1.0 382:2.0 385:12.0 387:2.0 391:5.0 395:1.0 399:4.0 402:10.0 404:5.0 407:2.0 412:1.0 413:20.0 414:3.0 415:1.0 427:1.0 429:22.0 431:6.0 435:2.0 441:13.0 445:2.0 448:2.0 449:14.0 457:10.0 464:9.0 466:3.0 468:1.0 469:19.0 497:7.0,C00074,1005,DTBNBXWJWCWCIK-UHFFFAOYSA-N,373,723,328,309,1107,782,685,1145,805,272,368,363,471,465,502,2559,457,220,524,288
docosahexaenoic acid,902819,91,87709,89:153.0 91:4417.0 92:909.0 93:2453.0 94:871.0 95:942.0 96:135.0 97:156.0 98:30.0 99:74.0 103:158.0 104:148.0 105:1782.0 106:442.0 107:727.0 108:775.0 109:294.0 110:46.0 111:42.0 115:239.0 116:175.0 117:1938.0 118:276.0 119:1453.0 120:408.0 121:401.0 122:154.0 123:56.0 128:107.0 129:1147.0 130:243.0 131:1109.0 132:276.0 133:714.0 134:388.0 135:292.0 136:81.0 137:51.0 141:89.0 142:64.0 143:202.0 144:85.0 145:622.0 146:156.0 148:232.0 149:98.0 150:28.0 151:21.0 152:28.0 155:93.0 157:127.0 159:213.0 160:117.0 161:227.0 162:98.0 165:28.0 167:20.0 169:103.0 170:33.0 171:90.0 172:49.0 173:195.0 175:186.0 176:109.0 177:33.0 179:15.0 181:35.0 182:24.0 184:49.0 185:29.0 187:116.0 188:47.0 190:32.0 194:19.0 196:25.0 199:52.0 201:55.0 203:30.0 209:18.0 214:15.0 217:80.0 218:38.0 219:29.0 222:22.0 225:26.0 239:33.0 255:19.0 264:12.0 269:14.0 273:18.0 277:20.0 278:18.0 287:15.0 289:37.0 290:24.0 291:20.0 300:17.0 302:25.0 303:19.0 314:21.0 318:25.0 321:16.0 329:14.0 330:16.0 333:18.0 357:22.0 360:18.0 370:14.0 374:24.0 413:14.0 420:14.0 431:25.0 433:36.0 444:26.0 445:27.0 447:16.0 452:16.0 453:23.0 464:22.0 465:12.0 469:16.0 473:17.0,,,MBMBGCFOFBJSGT-KUBAVDMBSA-N,1026,1118,1193,836,3690,3303,6341,3129,4242,1188,1763,759,800,1831,530,1372,662,628,922,541
dihydroxyacetone,332120,89,22000,85:347.0 86:296.0 87:242.0 88:356.0 89:3561.0 90:168.0 97:34.0 98:98.0 99:129.0 100:1180.0 101:141.0 102:427.0 103:3726.0 104:261.0 105:358.0 110:95.0 111:8.0 114:1204.0 115:134.0 116:33.0 117:58.0 119:160.0 120:2.0 121:18.0 128:42.0 130:6.0 131:151.0 133:1424.0 134:167.0 135:46.0 136:7.0 139:4.0 142:708.0 143:3.0 147:3616.0 148:459.0 149:251.0 150:1.0 151:34.0 152:3.0 154:4.0 157:51.0 158:20.0 160:521.0 161:36.0 162:1.0 163:1626.0 164:231.0 165:86.0 170:2.0 171:11.0 172:118.0 173:1059.0 174:166.0 177:2.0 179:3.0 181:15.0 182:2.0 188:11.0 189:72.0 191:57.0 196:16.0 197:7.0 202:73.0 204:6.0 205:7.0 214:1.0 215:1.0 224:1.0 229:3.0 230:1.0 232:60.0 235:5.0 248:321.0 249:22.0 251:2.0 255:3.0 257:1.0 259:6.0 261:7.0 263:16.0 271:2.0 274:2.0 278:2.0 285:5.0 288:1.0 291:5.0 294:8.0 296:4.0 302:7.0 303:13.0 304:6.0 310:8.0 311:3.0 312:3.0 313:7.0 324:5.0 330:2.0 332:1.0 334:1.0 342:4.0 343:6.0 344:7.0 345:10.0 351:3.0 357:4.0 358:2.0 367:6.0 372:6.0 373:5.0 375:33.0 380:9.0 386:2.0 387:4.0 388:1.0 392:2.0 393:7.0 395:4.0 397:1.0 399:3.0 402:5.0 404:3.0 407:1.0 412:2.0 419:7.0 421:4.0 422:2.0 424:1.0 440:3.0 449:3.0 451:6.0 454:7.0 465:7.0 471:1.0 472:1.0 481:3.0 483:16.0 484:5.0 487:2.0 488:6.0 493:7.0 500:3.0,C00184,670,RXKJFZQQPQGTFL-UHFFFAOYSA-N,602,900,554,567,949,909,1773,1415,1284,686,501,506,1995,922,1549,9427,1027,947,1866,1306
dihydrocholesterol,1082070,215,42937,85:915.0 86:94.0 87:34.0 89:485.0 91:4176.0 92:787.0 93:4869.0 94:1228.0 95:5414.0 96:299.0 97:914.0 98:121.0 99:603.0 100:190.0 101:817.0 103:357.0 104:284.0 105:3131.0 106:3045.0 107:4872.0 108:1660.0 109:2455.0 110:512.0 111:1052.0 112:39.0 113:254.0 115:321.0 116:86.0 117:909.0 118:257.0 119:2448.0 120:1216.0 121:2904.0 122:777.0 123:1040.0 124:179.0 125:446.0 128:124.0 129:1634.0 130:938.0 131:1705.0 132:154.0 133:1616.0 134:708.0 135:1659.0 136:493.0 137:319.0 138:409.0 139:126.0 141:95.0 142:1017.0 143:354.0 145:1900.0 146:599.0 147:3576.0 148:758.0 149:596.0 150:80.0 151:144.0 152:206.0 153:137.0 155:1281.0 156:236.0 157:222.0 159:1136.0 160:696.0 161:1256.0 162:346.0 163:185.0 165:289.0 166:92.0 167:70.0 168:10.0 169:216.0 171:145.0 173:651.0 174:150.0 175:574.0 176:116.0 177:293.0 179:440.0 180:87.0 181:299.0 182:87.0 183:170.0 184:110.0 186:20.0 187:318.0 188:82.0 189:301.0 190:92.0 191:229.0 192:75.0 193:1038.0 194:336.0 195:149.0 196:297.0 197:208.0 198:5.0 199:28.0 201:828.0 202:203.0 203:314.0 204:59.0 205:13.0 206:90.0 207:2300.0 208:483.0 209:296.0 210:143.0 211:421.0 212:13.0 213:58.0 214:39.0 215:3526.0 216:2044.0 217:991.0 218:148.0 219:96.0 221:302.0 222:32.0 223:118.0 224:82.0 225:9.0 226:85.0 227:1078.0 228:118.0 229:214.0 230:540.0 231:222.0 233:60.0 234:12.0 235:113.0 237:321.0 238:7.0 241:18.0 243:615.0 244:45.0 245:119.0 247:98.0 249:174.0 250:100.0 251:84.0 252:21.0 253:93.0 255:63.0 256:66.0 257:183.0 258:6.0 261:4.0 262:210.0 263:158.0 264:74.0 265:240.0 267:184.0 268:68.0 271:3.0 275:88.0 276:1.0 280:14.0 281:361.0 282:194.0 283:206.0 284:22.0 285:163.0 286:56.0 287:14.0 288:23.0 291:26.0 296:13.0 298:119.0 299:641.0 300:275.0 301:204.0 302:17.0 305:486.0 306:527.0 307:135.0 308:11.0 309:94.0 310:46.0 312:28.0 313:28.0 314:44.0 315:191.0 316:55.0 317:55.0 319:13.0 320:57.0 325:95.0 327:175.0 328:235.0 329:275.0 330:26.0 331:30.0 332:1.0 339:9.0 340:19.0 341:549.0 342:182.0 345:9.0 353:54.0 355:1023.0 356:80.0 357:18.0 359:34.0 361:2.0 367:32.0 369:191.0 370:353.0 371:185.0 373:118.0 374:2.0 375:8.0 384:7.0 385:13.0 387:45.0 389:32.0 399:19.0 400:5.0 401:31.0 402:182.0 403:273.0 404:137.0 405:11.0 410:4.0 413:37.0 415:168.0 416:116.0 417:64.0 429:17.0 430:85.0 434:21.0 443:18.0 444:42.0 445:521.0 446:298.0 447:17.0 448:16.0 453:22.0 456:4.0 459:18.0 460:402.0 461:375.0 462:16.0 463:29.0 468:12.0 475:134.0 476:78.0 477:61.0 478:9.0 488:8.0 489:69.0 490:124.0 491:67.0 492:33.0 493:3.0,C12978,66066,QYIXCDOBOSTCEI-FBVYSKEZSA-N,13303,18933,9289,8071,23085,30853,16068,6920,48115,23233,8328,7297,1642,911,1519,9339,946,1558,1759,1140
digalacturonic acid,988150,169,100883,85:124.0 86:158.0 87:187.0 88:70.0 89:1221.0 90:105.0 91:77.0 92:36.0 93:78.0 95:130.0 96:101.0 97:75.0 98:43.0 99:302.0 100:331.0 101:398.0 102:567.0 103:2785.0 104:175.0 105:287.0 109:46.0 111:152.0 112:43.0 113:151.0 114:133.0 115:198.0 116:386.0 117:697.0 118:57.0 119:162.0 120:58.0 122:25.0 123:33.0 125:25.0 126:80.0 127:295.0 128:41.0 129:1621.0 130:412.0 131:501.0 132:112.0 133:1775.0 134:212.0 135:228.0 136:31.0 137:17.0 140:67.0 141:95.0 142:95.0 143:1639.0 144:146.0 145:208.0 146:38.0 147:6447.0 148:963.0 149:893.0 150:50.0 151:101.0 153:50.0 154:55.0 155:66.0 156:36.0 157:189.0 158:58.0 159:86.0 160:517.0 161:166.0 162:33.0 163:178.0 164:31.0 165:31.0 166:20.0 168:34.0 169:3466.0 170:525.0 171:410.0 172:139.0 173:114.0 175:51.0 176:15.0 177:88.0 179:19.0 180:33.0 181:17.0 182:25.0 183:36.0 185:87.0 187:113.0 188:35.0 189:591.0 190:145.0 191:1009.0 192:99.0 193:44.0 194:65.0 197:53.0 198:34.0 200:26.0 201:57.0 204:3693.0 205:927.0 206:337.0 207:485.0 210:32.0 211:19.0 213:55.0 214:53.0 215:54.0 217:2662.0 218:575.0 219:529.0 220:81.0 221:382.0 222:54.0 223:47.0 229:169.0 230:30.0 231:114.0 232:62.0 233:213.0 234:80.0 235:51.0 238:13.0 240:26.0 241:21.0 242:19.0 243:221.0 244:54.0 245:450.0 246:127.0 247:62.0 248:18.0 252:19.0 253:32.0 255:26.0 256:17.0 257:480.0 258:116.0 259:144.0 260:50.0 261:79.0 262:29.0 263:22.0 265:19.0 268:19.0 269:30.0 270:15.0 271:64.0 273:57.0 274:37.0 275:38.0 278:22.0 279:34.0 280:39.0 281:49.0 282:54.0 283:26.0 285:91.0 287:62.0 291:131.0 292:942.0 293:238.0 294:129.0 295:35.0 297:25.0 303:42.0 304:19.0 305:461.0 306:171.0 307:32.0 309:14.0 314:41.0 315:42.0 316:23.0 317:23.0 319:135.0 320:28.0 321:37.0 323:25.0 324:35.0 329:30.0 331:97.0 332:101.0 333:583.0 334:209.0 335:126.0 336:32.0 337:13.0 343:60.0 344:36.0 345:104.0 346:48.0 347:342.0 348:157.0 349:88.0 351:36.0 352:22.0 358:30.0 359:55.0 360:37.0 361:29.0 362:32.0 366:19.0 374:47.0 375:884.0 376:330.0 377:229.0 378:53.0 380:24.0 381:21.0 389:15.0 391:29.0 393:20.0 394:13.0 399:26.0 400:27.0 401:19.0 403:15.0 405:15.0 406:18.0 411:12.0 412:25.0 414:23.0 416:39.0 417:13.0 421:14.0 423:38.0 424:34.0 425:16.0 429:27.0 433:29.0 434:33.0 435:59.0 438:31.0 439:13.0 440:21.0 445:17.0 450:45.0 451:32.0 453:14.0 454:21.0 455:23.0 459:11.0 460:20.0 461:21.0 464:23.0 465:172.0 466:103.0 467:73.0 468:33.0 469:20.0 475:23.0 476:13.0 479:62.0 480:38.0 481:32.0 484:21.0 485:27.0 486:15.0 487:12.0 491:14.0 493:64.0 494:32.0 495:45.0 496:41.0 497:19.0,C02273,439694,IGSYEZFZPOZFNC-LKIWRGPLSA-N,690,661,330,271,628,741,803,556,1754,2871,406,554,754,283,831,5987,474,730,13824,478
D-erythro-sphingosine,859500,204,126903,100:421.0 114:218.0 116:303.0 128:133.0 129:310.0 130:24.0 147:380.0 155:21.0 188:166.0 202:115.0 204:5513.0 205:732.0 206:427.0 223:20.0 345:29.0,,,,573,1221,424,397,8850,1198,7064,9294,842,731,328,316,1080,715,4189,4864,1082,1232,15055,991
deoxycholic acid,1106875,255,114648,85:547.0 86:120.0 87:216.0 88:121.0 89:518.0 91:4875.0 92:464.0 93:4870.0 94:631.0 95:3302.0 96:180.0 97:350.0 99:223.0 101:665.0 102:68.0 103:871.0 104:157.0 105:4838.0 106:564.0 107:3674.0 108:368.0 109:1502.0 110:117.0 111:115.0 113:193.0 114:61.0 115:649.0 116:930.0 117:5273.0 118:557.0 119:2667.0 120:495.0 121:1582.0 122:437.0 123:268.0 124:85.0 125:104.0 127:277.0 128:386.0 129:5214.0 130:668.0 131:2497.0 132:697.0 133:2536.0 134:600.0 135:976.0 136:42.0 137:78.0 139:34.0 141:177.0 142:262.0 143:1396.0 144:305.0 145:2919.0 146:563.0 147:4233.0 148:768.0 149:1557.0 150:132.0 151:171.0 152:100.0 153:118.0 154:54.0 155:421.0 156:336.0 157:834.0 158:202.0 159:1471.0 160:299.0 161:810.0 162:55.0 163:426.0 165:71.0 166:80.0 167:91.0 168:135.0 169:292.0 171:423.0 172:100.0 173:1302.0 174:256.0 175:403.0 176:305.0 177:209.0 178:74.0 179:62.0 181:41.0 182:71.0 183:218.0 185:390.0 186:59.0 187:324.0 189:187.0 190:49.0 191:111.0 193:106.0 195:74.0 197:75.0 199:504.0 200:111.0 201:316.0 203:329.0 204:55.0 205:61.0 211:176.0 212:336.0 213:491.0 214:293.0 215:229.0 216:112.0 217:46.0 219:38.0 223:47.0 226:59.0 227:118.0 228:141.0 229:143.0 236:28.0 237:56.0 240:55.0 241:89.0 242:50.0 246:26.0 253:115.0 254:470.0 255:8565.0 256:1602.0 257:210.0 258:38.0 265:28.0 266:1006.0 267:252.0 268:100.0 272:26.0 281:59.0 282:35.0 283:148.0 284:60.0 297:44.0 303:63.0 315:39.0 319:131.0 320:64.0 321:23.0 330:18.0 334:30.0 338:33.0 340:26.0 344:110.0 345:222.0 346:115.0 348:18.0 349:40.0 369:42.0 372:44.0 375:50.0 376:29.0 380:18.0 383:30.0 385:16.0 387:25.0 394:34.0 397:16.0 413:69.0 422:24.0 428:414.0 429:283.0 430:51.0,C04483,222528,KXGVEGMKQFWNSR-LLQZFEROSA-N,22618,36266,15612,33105,19634,57376,300229,119368,76800,32851,44534,15238,499,197,359,951,315,311,333,300
delta-tocopherol NIST,997765,208,105385,85:45.0 87:79.0 90:67.0 91:816.0 93:148.0 95:320.0 97:560.0 98:80.0 102:47.0 105:364.0 107:175.0 108:92.0 109:305.0 111:200.0 115:140.0 116:110.0 117:258.0 118:63.0 119:135.0 120:77.0 121:212.0 123:148.0 128:77.0 131:335.0 132:57.0 134:84.0 135:258.0 136:43.0 137:226.0 140:24.0 141:83.0 144:82.0 145:135.0 146:54.0 147:394.0 149:309.0 151:240.0 152:62.0 159:67.0 161:169.0 163:177.0 164:44.0 165:551.0 169:80.0 175:134.0 177:219.0 178:67.0 179:291.0 180:323.0 181:236.0 187:51.0 191:236.0 192:63.0 193:665.0 194:98.0 195:600.0 196:181.0 205:281.0 206:114.0 207:710.0 208:8670.0 209:7163.0 210:3442.0 211:545.0 212:135.0 218:200.0 221:225.0 222:280.0 223:196.0 229:39.0 230:88.0 231:40.0 233:133.0 234:138.0 235:254.0 247:111.0 248:29.0 249:1979.0 250:293.0 263:86.0 271:124.0 272:58.0 273:37.0 280:56.0 281:44.0 298:15.0 304:40.0 317:26.0 318:40.0 319:57.0 321:27.0 354:16.0 357:22.0 374:28.0 382:26.0 389:49.0 433:41.0 452:24.0 464:17.0 468:23.0 473:264.0 474:2030.0 475:1279.0 476:397.0 477:112.0,,,GZIFEOYASATJEH-VHFRWLAGSA-N,1272,2011,750,1359,4360,3241,26635,2646,6003,2823,1425,2007,704,818,1434,2926,1260,1592,1214,1113
dehydroascorbic acid,633423,173,3163,85:4938.0 86:2632.0 87:3842.0 88:1599.0 89:36445.0 90:4196.0 91:3962.0 92:500.0 94:671.0 95:633.0 96:448.0 97:1730.0 98:1823.0 99:5999.0 100:7321.0 101:16741.0 102:6187.0 103:11081.0 104:1207.0 105:674.0 106:1178.0 108:899.0 109:458.0 110:290.0 111:2948.0 112:1836.0 113:6752.0 114:2900.0 115:4370.0 116:6371.0 117:18187.0 118:3044.0 119:4528.0 120:1247.0 121:273.0 124:120.0 126:1913.0 127:3252.0 128:2063.0 129:59775.0 130:9498.0 131:9760.0 132:131.0 133:22246.0 134:1052.0 135:2576.0 136:211.0 137:421.0 138:246.0 139:110.0 140:936.0 141:1379.0 142:1853.0 143:103.0 144:1400.0 145:546.0 146:4235.0 147:64962.0 148:12890.0 149:11517.0 150:976.0 151:1319.0 152:101.0 153:298.0 154:685.0 155:1102.0 156:4854.0 157:135674.0 158:20234.0 159:8162.0 160:1416.0 161:514.0 162:564.0 163:4118.0 164:697.0 165:455.0 166:137.0 167:206.0 168:525.0 169:1695.0 170:1317.0 171:1335.0 172:4396.0 173:156842.0 174:23128.0 175:8648.0 176:7986.0 177:704.0 178:519.0 179:190.0 181:207.0 182:701.0 183:1427.0 184:1461.0 185:732.0 186:1670.0 187:1007.0 188:765.0 189:2473.0 190:1301.0 191:2771.0 192:955.0 197:85.0 198:992.0 199:207.0 200:577.0 201:1021.0 202:432.0 203:1345.0 204:1770.0 205:1439.0 206:369.0 207:1122.0 208:41.0 209:296.0 210:84.0 211:399.0 212:362.0 213:479.0 214:2337.0 215:1352.0 216:1979.0 217:2013.0 218:2196.0 219:875.0 220:35.0 221:1058.0 222:271.0 223:206.0 224:173.0 226:640.0 227:361.0 228:1440.0 229:1497.0 230:2769.0 231:10058.0 232:2822.0 233:871.0 234:1293.0 235:656.0 237:163.0 238:191.0 239:168.0 240:130.0 241:220.0 242:154.0 243:217.0 244:1846.0 245:22607.0 246:8560.0 247:4348.0 248:1236.0 249:258.0 250:230.0 251:86.0 252:271.0 255:279.0 256:992.0 257:2289.0 258:1377.0 259:598.0 260:291.0 261:281.0 262:240.0 263:267.0 265:132.0 268:49.0 270:128.0 271:280.0 272:1614.0 273:263.0 274:730.0 275:390.0 276:162.0 277:358.0 278:212.0 279:135.0 282:15.0 283:48.0 284:46.0 286:446.0 287:149.0 288:1672.0 289:536.0 290:444.0 291:110.0 292:226.0 293:99.0 300:431.0 301:753.0 302:153.0 303:322.0 304:459.0 305:83.0 306:277.0 307:48.0 308:135.0 313:175.0 314:174.0 315:204.0 316:27590.0 317:6583.0 318:3779.0 319:716.0 320:526.0 321:258.0 322:144.0 323:139.0 329:90.0 330:187.0 331:193.0 332:615.0 333:567.0 335:211.0 337:69.0 338:16.0 340:69.0 344:20.0 345:265.0 346:224.0 347:461.0 348:407.0 349:444.0 350:128.0 351:235.0 352:62.0 353:199.0 356:45.0 358:49.0 359:60.0 361:211.0 362:177.0 363:178.0 364:256.0 366:149.0 367:82.0 371:20.0 374:8.0 376:135.0 377:36.0 378:709.0 380:275.0 381:127.0 382:133.0 383:121.0 385:82.0 387:61.0 390:416.0 391:161.0 392:123.0 393:237.0 394:95.0 395:16.0 397:99.0 400:2.0 403:8.0 404:4.0 405:114.0 406:431.0 407:248.0 408:53.0 411:55.0 412:37.0 413:61.0 414:142.0 416:12.0 418:32.0 419:10.0 421:25.0 422:110.0 423:387.0 424:7.0 425:22.0 426:92.0 430:24.0 432:172.0 434:127.0 437:21.0 440:32.0 441:24.0 442:39.0 444:24.0 445:52.0 448:138.0 450:11.0 455:74.0 458:55.0 460:31.0 462:24.0 463:111.0 466:19.0 468:74.0 470:69.0 471:57.0 478:46.0 480:197.0 482:69.0 483:164.0 486:5.0 490:57.0 497:13.0 499:4.0,C05422,440667,SBJKKFFYIZUCET-JLAZNSOCSA-N,251,274,200,228,304,582,567,455,390,303,162,251,543,624,825,2335,381,581,1418,501
daidzein,1013259,398,115854,88:418.0 89:2048.0 90:422.0 91:1774.0 93:588.0 94:218.0 95:506.0 98:126.0 99:106.0 100:61.0 101:497.0 102:129.0 105:469.0 107:338.0 108:179.0 109:180.0 111:379.0 112:23.0 113:149.0 114:101.0 115:2219.0 117:592.0 118:164.0 119:1360.0 120:245.0 121:680.0 123:14.0 124:76.0 125:177.0 128:41.0 132:354.0 133:410.0 134:45.0 135:845.0 137:337.0 139:376.0 141:219.0 145:844.0 146:246.0 147:3151.0 149:1208.0 150:369.0 151:577.0 152:1120.0 153:223.0 154:340.0 155:43.0 159:197.0 161:210.0 162:399.0 163:1192.0 164:311.0 166:183.0 167:135.0 168:80.0 169:674.0 170:496.0 171:220.0 174:187.0 175:2733.0 176:979.0 177:814.0 178:64.0 181:164.0 182:49.0 184:4389.0 185:435.0 186:76.0 187:19.0 189:128.0 190:1239.0 191:347.0 193:349.0 194:175.0 195:128.0 199:16.0 203:51.0 206:76.0 207:488.0 208:358.0 209:297.0 210:14.0 221:225.0 222:29.0 223:143.0 225:118.0 235:365.0 236:92.0 237:321.0 240:10.0 241:117.0 252:29.0 253:682.0 265:64.0 266:218.0 269:127.0 279:40.0 280:38.0 281:288.0 282:274.0 283:520.0 293:29.0 294:92.0 295:69.0 299:35.0 309:222.0 310:166.0 311:753.0 312:67.0 313:43.0 323:157.0 324:148.0 325:576.0 326:96.0 327:212.0 339:54.0 341:126.0 354:133.0 355:1920.0 356:915.0 357:137.0 358:119.0 367:52.0 368:20.0 369:149.0 381:98.0 382:629.0 383:10319.0 384:3799.0 385:1052.0 386:110.0 387:102.0 391:41.0 392:9.0 396:119.0 397:2264.0 398:11304.0 399:4087.0 400:1375.0 401:20.0,,,,291,352,248,306,714,519,1791,567,1100,940,657,464,2151,1186,2105,8324,3394,2433,6709,3016
cytosin,486724,254,2186,85:305.0 86:945.0 88:631.0 89:66.0 91:93.0 92:12.0 93:60.0 94:50.0 95:688.0 96:493.0 97:996.0 98:12707.0 99:1818.0 100:5096.0 101:1193.0 102:433.0 103:101.0 104:99.0 105:431.0 106:204.0 107:67.0 108:20.0 109:92.0 110:178.0 111:229.0 112:504.0 113:1713.0 114:980.0 115:589.0 116:686.0 117:327.0 118:47.0 120:75.0 123:207.0 124:149.0 125:2555.0 126:219.0 127:121.0 128:47.0 129:459.0 130:1719.0 131:511.0 132:336.0 133:465.0 134:102.0 135:97.0 136:71.0 137:73.0 138:109.0 139:59.0 140:535.0 141:151.0 143:279.0 144:73.0 145:109.0 146:1329.0 147:3418.0 148:489.0 149:94.0 150:439.0 151:64.0 152:193.0 153:99.0 154:59.0 155:231.0 161:6.0 164:11.0 166:71.0 167:184.0 168:1124.0 169:155.0 170:6298.0 171:1452.0 172:635.0 173:122.0 178:2.0 181:40.0 182:790.0 183:354.0 184:187.0 186:38.0 187:37.0 189:35.0 190:76.0 192:1.0 194:11.0 197:439.0 198:127.0 199:69.0 201:1.0 204:5.0 205:9.0 206:2.0 207:1.0 208:207.0 210:10.0 211:33.0 212:33.0 213:61.0 215:67.0 219:2.0 220:8.0 221:5.0 223:57.0 224:390.0 225:98.0 228:12.0 230:550.0 238:2174.0 239:405.0 240:10337.0 241:2300.0 242:765.0 243:156.0 246:4.0 247:3.0 248:1.0 249:3.0 252:3.0 253:1.0 254:11187.0 255:5242.0 256:1410.0 257:386.0 258:231.0 268:2.0 273:21.0 275:28.0 288:2.0 291:1.0 293:2.0 307:6.0 326:27.0 349:21.0 412:13.0 424:21.0 482:19.0 485:24.0,C00380,597,OPTASPLRGRRNAP-UHFFFAOYSA-N,378,453,301,303,421,595,744,632,387,270,226,227,334,287,240,1204,185,307,875,304
cytidine-5-monophosphate,700635,243,2246,85:144.0 86:125.0 87:68.0 95:74.0 97:27.0 99:140.0 100:73.0 101:52.0 102:63.0 103:170.0 105:12.0 107:4.0 111:73.0 113:108.0 114:60.0 115:113.0 116:36.0 117:50.0 119:18.0 121:11.0 123:12.0 125:20.0 129:308.0 130:71.0 131:47.0 133:687.0 135:189.0 137:50.0 140:12.0 141:91.0 142:23.0 143:12.0 144:18.0 147:1244.0 148:217.0 149:105.0 151:75.0 152:6.0 153:132.0 154:7.0 157:15.0 162:14.0 164:23.0 167:29.0 168:1.0 169:1260.0 170:202.0 171:154.0 172:65.0 173:30.0 174:30.0 176:19.0 177:32.0 179:16.0 181:119.0 182:15.0 183:24.0 184:158.0 185:49.0 187:21.0 193:51.0 195:139.0 196:30.0 197:41.0 199:3.0 207:133.0 208:6.0 210:33.0 211:836.0 212:73.0 213:111.0 214:8.0 215:115.0 216:1.0 217:31.0 218:522.0 219:59.0 220:44.0 225:102.0 226:43.0 227:246.0 228:39.0 229:10.0 230:45.0 231:13.0 233:8.0 236:6.0 241:27.0 242:8.0 243:1849.0 244:401.0 245:227.0 246:11.0 247:9.0 248:3.0 252:21.0 253:63.0 254:33.0 255:19.0 256:28.0 257:54.0 258:817.0 259:263.0 260:89.0 261:23.0 262:7.0 265:1.0 267:5.0 268:19.0 271:9.0 275:27.0 276:9.0 282:3.0 284:15.0 292:14.0 293:21.0 297:2.0 298:21.0 299:812.0 300:259.0 301:149.0 302:20.0 303:1.0 307:7.0 308:5.0 313:39.0 314:34.0 315:666.0 316:182.0 317:73.0 318:36.0 324:3.0 325:2.0 326:5.0 327:27.0 332:3.0 335:6.0 338:8.0 343:22.0 346:4.0 348:6.0 350:2.0 354:46.0 357:36.0 359:5.0 367:9.0 374:16.0 378:14.0 379:4.0 387:20.0 390:4.0 391:1.0 392:12.0 398:4.0 401:19.0 402:13.0 403:2.0 409:4.0 410:5.0 414:19.0 419:14.0 420:1.0 423:7.0 426:2.0 429:26.0 434:13.0 435:1.0 436:1.0 438:5.0 442:3.0 447:5.0 448:9.0 454:12.0 456:2.0 459:4.0 460:25.0 461:15.0 463:30.0 468:5.0 469:3.0 470:11.0 474:16.0 475:12.0 478:18.0 479:2.0 480:8.0 485:33.0 486:15.0 487:6.0 489:16.0 496:6.0 499:12.0,,,,1329,759,445,287,568,711,665,755,1546,1762,221,642,284,296,194,4236,346,514,611,407
cystine,804619,218,94,85:108.0 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,LEVWYRKDKASIDU-UHFFFAOYSA-N,472,1607,409,381,3462,1337,5318,8761,1163,797,551,823,815,959,1257,14422,1336,1167,3327,1522
cysteine-glycine,715335,220,2787,85:185.0 86:404.0 88:100.0 90:67.0 91:332.0 92:34.0 94:53.0 97:57.0 98:151.0 99:49.0 100:1375.0 101:377.0 102:262.0 103:390.0 104:15.0 105:20.0 107:142.0 110:50.0 112:23.0 113:69.0 114:78.0 115:367.0 116:813.0 118:39.0 126:62.0 129:25.0 130:279.0 131:65.0 132:916.0 134:134.0 135:1.0 141:102.0 142:99.0 144:44.0 146:198.0 147:351.0 148:451.0 154:30.0 155:46.0 157:102.0 158:256.0 159:18.0 160:51.0 172:591.0 173:91.0 174:739.0 175:61.0 176:92.0 184:106.0 185:132.0 186:10.0 190:1.0 197:1.0 199:28.0 200:48.0 204:65.0 213:6.0 217:49.0 218:12.0 220:4383.0 221:868.0 222:561.0 223:12.0 232:4.0 233:9.0 252:6.0 258:3.0 263:6.0 270:4.0 271:17.0 273:14.0 275:620.0 276:137.0 277:59.0 279:4.0 287:2.0 290:28.0 292:19.0 293:41.0 299:15.0 309:6.0 324:14.0 346:2.0 351:24.0 357:1.0 361:43.0 369:24.0 379:49.0 402:1.0 411:21.0 429:9.0 445:10.0 448:2.0 450:13.0 461:5.0 463:4.0 465:8.0 486:8.0,C01419,439498,ZUKPVRWZDMRIEO-VKHMYHEASA-N,270,365,212,167,2360,554,1554,2911,504,359,202,231,372,679,655,7155,687,278,2254,639
cysteine,500158,220,65,86:175.0 90:83.0 91:341.0 97:81.0 98:68.0 100:3118.0 101:289.0 102:126.0 103:157.0 104:40.0 106:71.0 111:61.0 112:46.0 113:48.0 115:193.0 116:681.0 117:121.0 119:107.0 120:61.0 130:238.0 132:808.0 133:307.0 135:39.0 146:182.0 147:1274.0 149:187.0 163:84.0 172:22.0 204:108.0 217:15.0 218:2544.0 219:362.0 220:2803.0 221:383.0 222:297.0 223:28.0 231:29.0 232:38.0 262:21.0 287:23.0 301:27.0 304:25.0 312:12.0 322:14.0 325:41.0 330:18.0 336:30.0 348:15.0 365:12.0 377:21.0 394:15.0 399:20.0 404:21.0 406:19.0 409:25.0 439:20.0 449:26.0 465:33.0 480:25.0 495:26.0 499:25.0,C00097,5862,XUJNEKJLAYXESH-REOHCLBHSA-N,5457,11942,2047,2442,26389,14893,32848,36758,7232,4478,2394,1992,4878,3493,6242,169014,5847,4286,44519,5791
creatinine,502599,115,31,85:370.0 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,DDRJAANPRJIHGJ-UHFFFAOYSA-N,1716,2825,526,674,6019,6036,3292,2992,5096,1580,622,2442,382,593,7570,119487,7508,3938,6844,3512
conduritol-beta-expoxide,675635,318,2670,85:36.0 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,,9989541,ZHMWOVGZCINIHW-SPHYCDKFSA-N,630,1003,696,648,1108,1917,4470,1798,3681,6478,1953,469,31237,66879,54126,314602,91949,54962,16003,49429
citric acid,617342,273,288,85:108.0 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,KRKNYBCHXYNGOX-UHFFFAOYSA-N,633,640,415,335,3267,1707,2611,3023,657,439,272,332,727,366,570,4330,1052,1003,721,303
cis-gondoic acid,847372,117,87783,85:2318.0 89:1537.0 91:1953.0 92:494.0 93:1867.0 94:1814.0 95:6984.0 96:10449.0 97:6552.0 98:6703.0 99:1435.0 105:1710.0 106:308.0 107:1454.0 108:883.0 109:3479.0 110:3575.0 111:2492.0 112:1073.0 113:314.0 117:29549.0 118:2998.0 119:2252.0 120:341.0 121:1361.0 122:447.0 123:2047.0 124:1355.0 125:876.0 126:132.0 127:401.0 129:20607.0 130:2301.0 131:4009.0 132:4647.0 133:2381.0 134:1003.0 135:968.0 136:299.0 137:1325.0 138:918.0 139:275.0 141:83.0 143:1184.0 145:8092.0 146:1106.0 148:607.0 149:268.0 150:186.0 151:630.0 152:1111.0 153:196.0 155:781.0 157:471.0 158:255.0 159:361.0 161:88.0 162:77.0 163:127.0 165:288.0 166:392.0 169:344.0 170:193.0 171:700.0 172:252.0 173:202.0 175:109.0 177:59.0 183:357.0 185:1515.0 187:288.0 188:93.0 190:49.0 192:254.0 194:247.0 199:1939.0 200:227.0 201:471.0 203:89.0 207:177.0 208:726.0 209:163.0 211:222.0 213:241.0 216:107.0 219:53.0 222:154.0 227:241.0 229:175.0 230:11.0 231:110.0 233:292.0 234:282.0 235:145.0 237:122.0 241:230.0 242:85.0 243:100.0 248:117.0 249:195.0 250:482.0 251:186.0 255:122.0 267:58.0 269:125.0 270:102.0 274:86.0 279:110.0 293:418.0 339:103.0 366:171.0 367:1977.0 368:900.0 369:232.0 370:85.0 382:176.0 385:84.0 387:97.0 433:80.0 437:63.0 448:77.0 464:249.0 465:77.0 467:59.0 476:38.0 491:74.0,C16526,5282768,                           ,4543,10795,2485,3018,14323,10359,27496,11701,11048,5451,3469,2446,1701,1206,1316,4963,1023,989,3134,2231
cholic acid,1109517,253,110403,86:112.0 87:393.0 91:1529.0 92:106.0 93:2143.0 94:725.0 95:890.0 98:123.0 99:478.0 101:1421.0 102:297.0 103:1585.0 105:1612.0 106:525.0 107:961.0 111:562.0 113:342.0 114:82.0 115:934.0 116:1665.0 117:5088.0 118:316.0 119:870.0 122:172.0 123:602.0 126:54.0 127:179.0 128:336.0 130:423.0 131:2675.0 133:1074.0 135:840.0 138:179.0 141:543.0 142:940.0 143:3459.0 144:581.0 145:1308.0 146:755.0 147:4753.0 148:388.0 149:1203.0 150:217.0 151:405.0 152:104.0 153:373.0 155:1068.0 156:465.0 157:2050.0 158:580.0 159:196.0 163:597.0 165:101.0 166:211.0 167:451.0 168:483.0 170:325.0 171:1277.0 172:359.0 173:1175.0 174:357.0 175:320.0 176:56.0 179:329.0 180:104.0 181:608.0 182:139.0 183:1068.0 184:353.0 185:128.0 186:40.0 187:482.0 188:188.0 191:61.0 193:517.0 194:167.0 196:240.0 197:362.0 198:239.0 199:873.0 200:395.0 201:610.0 203:353.0 204:191.0 205:235.0 206:189.0 207:567.0 208:193.0 209:546.0 210:205.0 211:1214.0 212:493.0 214:255.0 216:134.0 217:222.0 218:148.0 219:211.0 220:88.0 221:259.0 222:77.0 223:253.0 224:125.0 225:308.0 226:713.0 227:971.0 228:325.0 229:288.0 230:38.0 233:81.0 236:144.0 237:374.0 238:176.0 239:162.0 241:119.0 243:547.0 244:29.0 245:146.0 246:74.0 247:148.0 248:80.0 249:133.0 250:102.0 251:194.0 252:227.0 253:7859.0 254:1628.0 255:420.0 260:60.0 261:54.0 262:52.0 263:76.0 264:70.0 265:124.0 266:77.0 268:61.0 274:59.0 275:142.0 278:48.0 279:91.0 281:804.0 282:20.0 284:49.0 285:59.0 289:43.0 290:57.0 291:76.0 292:54.0 294:95.0 295:248.0 296:92.0 299:68.0 300:55.0 301:181.0 304:79.0 305:94.0 307:76.0 308:41.0 309:17.0 312:34.0 315:81.0 316:151.0 317:190.0 319:195.0 321:157.0 322:64.0 323:48.0 325:48.0 329:44.0 330:46.0 333:21.0 337:158.0 338:108.0 339:88.0 341:103.0 343:2393.0 344:639.0 345:276.0 346:98.0 349:57.0 359:47.0 360:54.0 361:97.0 366:37.0 368:46.0 369:20.0 370:53.0 371:98.0 372:175.0 373:93.0 382:44.0 383:68.0 384:56.0 386:54.0 388:32.0 389:24.0 390:35.0 391:42.0 396:56.0 397:60.0 398:30.0 404:58.0 405:42.0 406:40.0 407:87.0 408:83.0 409:94.0 411:153.0 412:75.0 413:89.0 415:47.0 416:64.0 417:59.0 418:34.0 420:59.0 421:41.0 422:37.0 423:50.0 424:43.0 426:994.0 427:662.0 428:299.0 429:104.0 430:68.0 431:31.0 432:68.0 433:106.0 435:32.0 438:69.0 439:39.0 441:37.0 442:51.0 444:34.0 445:37.0 446:54.0 447:47.0 448:39.0 452:46.0 455:45.0 457:57.0 458:103.0 459:100.0 461:7.0 463:26.0 465:38.0 466:34.0 467:40.0 469:85.0 470:32.0 473:28.0 474:71.0 478:49.0 483:50.0 488:54.0 491:38.0 492:42.0 495:50.0 498:51.0,C05463,221493,BHQCQFFYRZLCQQ-OELDTZBJSA-N,1735,4338,1101,1262,17188,2690,9356,26777,5099,2477,2448,1279,98124,17463,3724,20626,7333,31099,13390,15597
cholesterol,1078536,129,19,85:3277.0 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,HVYWMOMLDIMFJA-DPAQBDIFSA-N,82352,82291,29945,33939,141390,206568,308502,273597,223009,91480,35360,52136,56710,31812,71604,393988,38165,57761,138877,39684
chenodeoxycholic acid,1114867,255,104361,85:6651.0 86:1341.0 88:1179.0 89:5004.0 90:918.0 91:38728.0 92:6733.0 93:52484.0 94:12378.0 95:48804.0 96:3708.0 97:4202.0 98:989.0 99:2877.0 100:205.0 101:10363.0 102:1883.0 103:9068.0 104:1731.0 105:48295.0 106:10513.0 107:45502.0 108:8796.0 109:20093.0 110:3001.0 111:4102.0 112:972.0 113:4189.0 114:610.0 115:9575.0 116:13187.0 117:81513.0 118:12627.0 119:35456.0 120:7967.0 121:29263.0 122:7133.0 123:9535.0 124:1471.0 125:3412.0 126:2222.0 127:3546.0 128:6537.0 129:75390.0 130:11994.0 131:39306.0 132:17279.0 133:40776.0 134:9879.0 135:27639.0 136:4275.0 137:3261.0 138:1104.0 139:1664.0 140:908.0 141:7431.0 142:5647.0 143:19134.0 144:5992.0 145:37180.0 146:9638.0 147:58964.0 148:12686.0 149:29878.0 150:4109.0 151:4643.0 152:1811.0 153:3097.0 154:2534.0 155:11793.0 156:4358.0 157:21379.0 158:6490.0 159:34362.0 160:11262.0 161:26196.0 162:5226.0 163:11085.0 164:1912.0 165:2953.0 166:1539.0 167:3126.0 168:4767.0 169:10547.0 170:2964.0 171:10643.0 172:4785.0 173:23009.0 174:7037.0 175:14070.0 176:2625.0 177:8159.0 178:2191.0 179:2353.0 180:1380.0 181:4539.0 182:3109.0 183:5786.0 184:2158.0 185:10370.0 186:3711.0 187:9382.0 188:2126.0 189:6382.0 190:1225.0 191:5942.0 192:906.0 194:855.0 195:4388.0 196:2877.0 197:9596.0 198:2372.0 199:13627.0 200:6000.0 201:12506.0 202:3407.0 203:5943.0 204:11216.0 205:2837.0 206:1522.0 207:1270.0 208:501.0 209:3085.0 210:1320.0 211:3968.0 212:3573.0 213:27291.0 214:9160.0 215:10484.0 216:4218.0 217:7456.0 218:1469.0 219:1066.0 220:478.0 221:1961.0 222:413.0 223:1537.0 224:1124.0 225:2218.0 226:982.0 227:4412.0 228:6871.0 229:6288.0 230:2208.0 231:1542.0 232:450.0 233:1868.0 234:683.0 235:1412.0 236:1101.0 237:1085.0 238:630.0 239:2217.0 240:763.0 241:2970.0 242:2010.0 243:5471.0 244:2677.0 245:1662.0 246:484.0 247:1122.0 248:480.0 249:2349.0 250:960.0 251:1627.0 252:547.0 253:3030.0 254:13842.0 255:75471.0 256:20912.0 257:4290.0 258:717.0 259:295.0 260:203.0 261:642.0 262:251.0 263:1200.0 264:667.0 265:1562.0 266:3259.0 267:1012.0 268:682.0 269:717.0 270:254.0 271:609.0 272:316.0 273:752.0 274:388.0 275:441.0 276:99.0 277:248.0 278:270.0 279:1844.0 280:1031.0 281:1031.0 282:602.0 283:2224.0 284:1409.0 285:710.0 286:219.0 287:448.0 288:88.0 289:651.0 290:532.0 291:1632.0 292:788.0 293:909.0 294:211.0 295:863.0 296:1000.0 297:7658.0 298:3194.0 299:1125.0 300:546.0 301:231.0 302:272.0 303:1925.0 304:967.0 305:1784.0 306:1014.0 307:1762.0 308:911.0 309:576.0 310:686.0 311:497.0 312:400.0 313:89.0 315:61.0 316:105.0 317:516.0 318:1291.0 319:1400.0 320:1324.0 321:3204.0 322:1845.0 323:2685.0 324:1326.0 325:1210.0 326:597.0 327:341.0 328:397.0 329:154.0 330:162.0 331:503.0 332:391.0 333:777.0 334:792.0 335:583.0 336:357.0 337:186.0 338:691.0 339:1606.0 340:1017.0 341:393.0 344:693.0 345:8925.0 346:5403.0 347:1959.0 348:707.0 349:365.0 350:316.0 351:117.0 352:142.0 353:111.0 354:92.0 356:228.0 357:229.0 358:220.0 359:465.0 360:393.0 361:308.0 362:158.0 363:417.0 364:274.0 365:70.0 366:94.0 367:154.0 368:41.0 369:147.0 370:159.0 371:662.0 372:834.0 373:3318.0 374:3264.0 375:1569.0 376:560.0 377:229.0 378:139.0 379:201.0 380:351.0 381:1122.0 382:866.0 383:397.0 384:48.0 385:163.0 386:628.0 387:2036.0 388:1349.0 389:958.0 390:586.0 391:304.0 392:16.0 393:159.0 394:221.0 395:287.0 396:123.0 397:183.0 398:238.0 399:402.0 400:516.0 401:503.0 402:516.0 403:367.0 404:9.0 405:92.0 406:125.0 407:159.0 408:79.0 409:74.0 410:47.0 411:238.0 412:725.0 413:5723.0 414:4975.0 415:1802.0 416:872.0 417:315.0 419:163.0 420:74.0 421:146.0 422:330.0 423:495.0 424:231.0 425:190.0 427:1601.0 428:10391.0 429:10160.0 430:4027.0 431:1270.0 432:338.0 433:292.0 434:654.0 435:609.0 436:289.0 437:201.0 438:107.0 439:77.0 440:50.0 442:50.0 443:42.0 445:102.0 446:97.0 449:261.0 450:309.0 451:127.0 452:114.0 453:92.0 454:65.0 455:68.0 456:79.0 457:14.0 458:33.0 459:65.0 460:174.0 461:389.0 462:543.0 463:1664.0 464:1416.0 465:512.0 466:156.0 467:142.0 468:76.0 474:104.0 475:245.0 476:239.0 477:176.0 478:177.0 479:105.0 480:100.0 482:45.0 483:58.0 485:39.0 486:24.0 487:122.0 488:123.0 489:151.0 490:261.0 491:186.0 492:95.0 494:80.0 495:61.0 496:51.0 499:43.0,C02528,10133,RUDATBOHQWOJDD-BSWAIDMHSA-N,1493,1632,1797,2003,2336,1861,33540,6039,6142,2654,2300,1740,1135,713,618,1014,647,766,803,1008
cellobiose,932179,204,1373,85:169.0 86:40.0 87:224.0 89:1164.0 93:16.0 95:81.0 96:78.0 97:144.0 99:39.0 100:142.0 101:420.0 102:239.0 103:2566.0 104:303.0 105:530.0 107:39.0 108:20.0 113:215.0 114:2.0 115:122.0 116:171.0 117:1882.0 119:55.0 123:25.0 125:56.0 127:215.0 129:1861.0 130:230.0 131:535.0 132:80.0 133:993.0 141:125.0 142:21.0 143:419.0 144:69.0 145:87.0 146:72.0 147:5903.0 148:921.0 149:340.0 155:337.0 156:102.0 157:308.0 159:101.0 160:711.0 161:166.0 162:103.0 163:212.0 165:54.0 166:53.0 167:40.0 169:754.0 170:151.0 171:22.0 173:147.0 177:72.0 183:91.0 187:25.0 189:441.0 191:683.0 192:99.0 193:4.0 200:19.0 203:74.0 204:3798.0 205:1516.0 206:247.0 210:83.0 216:40.0 217:2047.0 218:429.0 219:68.0 220:36.0 221:143.0 229:139.0 231:159.0 232:71.0 233:137.0 241:13.0 243:224.0 244:122.0 245:51.0 246:46.0 247:56.0 254:10.0 255:39.0 256:9.0 257:90.0 259:66.0 262:59.0 269:77.0 270:77.0 271:387.0 272:77.0 273:91.0 274:50.0 275:63.0 277:34.0 279:57.0 281:52.0 288:46.0 289:35.0 290:16.0 292:15.0 295:34.0 300:12.0 302:37.0 305:93.0 310:38.0 311:60.0 313:60.0 314:50.0 315:29.0 317:80.0 318:44.0 319:476.0 320:181.0 321:114.0 322:73.0 324:43.0 325:52.0 329:71.0 331:146.0 332:98.0 347:20.0 348:32.0 349:66.0 356:7.0 358:70.0 359:78.0 360:71.0 361:1011.0 362:372.0 363:206.0 364:13.0 365:27.0 367:19.0 371:44.0 377:25.0 378:47.0 379:25.0 381:47.0 382:17.0 384:34.0 386:46.0 389:48.0 390:63.0 393:34.0 414:50.0 419:37.0 426:14.0 451:13.0 470:21.0 499:35.0,C01971,6255,GUBGYTABKSRVRQ-QUYVBRFLSA-N,3537,2407,1198,1219,20970,19554,38411,5616,5124,2710,1616,1780,6113,1239,274,83859,3030,2715,16198,5695
catechol,376695,254,31654,91:577.0 92:334.0 93:115.0 95:3.0 99:82.0 100:110.0 103:11.0 105:263.0 107:8.0 108:313.0 109:65.0 114:59.0 123:37.0 127:337.0 130:41.0 131:58.0 132:7.0 133:23.0 134:138.0 135:40.0 136:2070.0 137:379.0 138:55.0 143:19.0 149:304.0 151:2501.0 152:226.0 153:73.0 161:9.0 165:10.0 166:1403.0 167:230.0 168:17.0 171:128.0 172:68.0 173:10.0 178:5.0 179:97.0 181:38.0 182:33.0 186:72.0 193:38.0 195:8.0 199:3.0 200:7.0 209:12.0 211:10.0 223:68.0 224:6.0 239:1241.0 240:297.0 241:121.0 254:1884.0 255:453.0 256:143.0 257:35.0 260:6.0 261:1.0 311:1.0 325:33.0 329:4.0 333:1.0 345:4.0 372:3.0 374:5.0 391:8.0 410:17.0 426:6.0 446:6.0 447:5.0 466:6.0 490:4.0 495:3.0,C00090,289,YCIMNLLNPGFGHC-UHFFFAOYSA-N,431,283,316,630,699,508,1359,526,1539,647,545,346,148,202,163,140,180,213,184,124
caprylic acid,343457,201,6866,85:59.0 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,WWZKQHOCKIZLMA-UHFFFAOYSA-N,380,1084,872,1501,1340,1109,1121,925,2414,801,717,981,738,1999,531,520,748,763,760,1043
capric acid,451790,229,726,85:361.0 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,GHVNFZFCNZKVNT-UHFFFAOYSA-N,568,1467,539,486,1173,935,616,638,1312,582,426,1004,241,281,183,621,267,469,210,240
butyrolactam NIST,277199,142,2047,85:20.0 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,,12025,HNJBEVLQSNELDL-UHFFFAOYSA-N,1045,1216,727,606,2603,1926,3423,1896,1851,1214,629,590,1048,759,1327,9265,962,918,2991,833
biphenyl,426625,154,68719,89:3302.0 97:316.0 107:235.0 124:383.0 136:397.0 137:350.0 139:89.0 152:471.0 154:23828.0 155:316.0 156:3822.0 157:1218.0 174:2709.0 175:157.0 183:108.0 184:13.0 187:110.0 216:13.0 228:376.0 229:264.0 274:94.0 277:19.0 279:11.0 313:1.0 323:3.0 324:4.0 332:5.0 336:1.0 353:1.0 368:1.0 398:3.0 403:2.0 405:7.0 407:4.0 418:2.0 421:5.0 424:3.0 425:11.0 427:3.0 431:2.0 438:6.0 440:3.0 442:4.0 445:1.0 446:8.0 454:1.0 460:3.0 466:1.0 470:3.0 486:1.0 487:4.0 490:2.0 491:5.0 494:3.0 496:2.0 499:9.0,,,,430,3310,183,333,14927,1721,10084,12227,1824,962,308,1759,314,494,413,12150,867,333,419,356
beta-sitosterol,1128225,129,3174,85:2766.0 86:101.0 87:57.0 89:458.0 91:5648.0 92:1009.0 93:4837.0 94:854.0 95:7005.0 96:398.0 97:1583.0 98:69.0 99:841.0 101:529.0 102:39.0 103:648.0 104:289.0 105:5798.0 106:1007.0 107:5082.0 108:945.0 109:3381.0 110:296.0 111:1228.0 112:109.0 113:310.0 114:25.0 115:1041.0 116:430.0 117:2402.0 118:725.0 119:4929.0 120:2342.0 121:4665.0 122:692.0 123:1370.0 124:121.0 125:512.0 127:195.0 128:627.0 129:14060.0 130:2151.0 131:3289.0 132:994.0 133:3024.0 134:689.0 135:1929.0 136:384.0 137:610.0 138:105.0 139:188.0 141:470.0 142:415.0 143:2336.0 144:809.0 145:4269.0 146:1037.0 147:1361.0 148:839.0 149:1042.0 150:139.0 151:321.0 152:124.0 153:214.0 154:36.0 155:954.0 156:291.0 157:1007.0 158:563.0 159:2523.0 160:1767.0 161:2070.0 162:578.0 163:1438.0 164:177.0 165:313.0 166:48.0 167:147.0 168:104.0 169:396.0 170:109.0 171:709.0 172:279.0 173:1495.0 174:462.0 175:723.0 176:207.0 177:528.0 178:79.0 179:232.0 180:31.0 181:286.0 182:167.0 183:217.0 185:453.0 186:181.0 187:373.0 188:113.0 189:478.0 190:114.0 191:187.0 192:111.0 193:179.0 194:144.0 195:142.0 196:185.0 197:283.0 198:62.0 199:563.0 200:169.0 201:433.0 202:74.0 203:579.0 204:45.0 205:144.0 207:648.0 208:411.0 209:152.0 210:116.0 211:49.0 212:20.0 213:827.0 214:290.0 215:499.0 216:106.0 217:483.0 218:82.0 219:62.0 220:15.0 221:203.0 222:32.0 224:24.0 225:86.0 227:232.0 228:125.0 229:229.0 230:60.0 231:186.0 232:15.0 233:53.0 234:55.0 235:129.0 239:46.0 240:45.0 241:145.0 242:15.0 243:27.0 245:178.0 246:26.0 247:187.0 248:88.0 249:55.0 250:55.0 251:39.0 252:8.0 253:90.0 254:49.0 255:885.0 256:154.0 257:59.0 258:30.0 259:139.0 260:21.0 261:152.0 262:36.0 263:35.0 265:58.0 266:20.0 267:40.0 269:12.0 270:8.0 271:6.0 272:1.0 273:90.0 274:93.0 275:356.0 276:51.0 277:27.0 278:20.0 281:142.0 282:33.0 283:121.0 284:51.0 287:37.0 288:37.0 289:50.0 291:26.0 295:26.0 297:27.0 299:61.0 301:15.0 302:67.0 303:65.0 304:32.0 305:16.0 309:15.0 313:13.0 314:27.0 315:22.0 316:6.0 318:25.0 320:5.0 321:3.0 323:30.0 327:48.0 328:17.0 329:81.0 330:21.0 332:10.0 336:1.0 337:21.0 339:5.0 340:18.0 341:8.0 342:27.0 344:26.0 345:12.0 347:10.0 350:15.0 352:1.0 354:78.0 355:150.0 356:348.0 357:1139.0 358:350.0 359:9.0 364:6.0 365:25.0 366:6.0 367:3.0 368:52.0 369:2.0 379:3.0 380:17.0 381:450.0 382:234.0 383:67.0 384:33.0 386:22.0 388:23.0 391:17.0 393:15.0 395:55.0 396:1119.0 397:519.0 398:108.0 399:9.0 404:21.0 409:21.0 411:18.0 416:40.0 418:27.0 423:21.0 429:17.0 432:23.0 434:5.0 437:2.0 439:23.0 440:12.0 441:19.0 444:21.0 447:8.0 453:2.0 457:16.0 458:30.0 470:10.0 471:99.0 472:88.0 474:6.0 476:17.0 478:18.0 480:6.0 481:6.0 485:33.0 486:298.0 487:263.0 488:96.0 490:18.0 493:1.0 495:11.0,C01753,222284,KZJWDPNRJALLNS-VJSFXXLFSA-N,129986,114777,48834,56050,149673,214266,213181,262476,284755,176590,47846,80556,67120,34868,78713,507243,70323,71973,160062,63767
beta-glutamic acid,525547,232,104384,85:333.0 86:220.0 88:96.0 95:148.0 96:59.0 98:246.0 99:360.0 100:5232.0 101:740.0 102:106.0 110:86.0 114:463.0 115:338.0 116:303.0 117:1332.0 118:115.0 119:148.0 132:163.0 133:632.0 134:116.0 144:264.0 146:71.0 147:3261.0 148:479.0 163:139.0 172:233.0 173:60.0 174:357.0 185:38.0 188:586.0 189:211.0 190:62.0 191:53.0 200:139.0 204:51.0 216:650.0 230:64.0 232:4033.0 233:826.0 234:395.0 235:32.0 246:61.0 258:102.0 259:146.0 261:17.0 306:216.0 307:109.0 308:40.0 331:27.0 332:23.0 347:21.0 348:263.0 349:144.0 350:41.0 440:20.0,C05574,73064,BBJIPMIXTXKYLZ-UHFFFAOYSA-N,21000,18125,8302,2141,18069,14671,73308,60806,17082,20124,1650,9588,351,995,3468,363,137,152,261,579
beta-alanine,435564,248,148,85:228.0 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,UCMIRNVEIXFBKS-UHFFFAOYSA-N,2404,7781,4370,5289,9757,15395,25684,24756,8348,9233,2885,1726,1102,744,1404,5252,871,1165,3597,944
benzoic acid,339067,179,36,86:343.0 87:342.0 88:702.0 89:324.0 90:144.0 91:469.0 93:84.0 95:73.0 98:224.0 101:459.0 102:419.0 103:2363.0 105:19922.0 106:1506.0 107:541.0 108:41.0 109:28.0 115:81.0 116:11012.0 117:1187.0 118:403.0 119:326.0 120:194.0 121:192.0 128:258.0 130:1267.0 131:785.0 132:5944.0 133:1178.0 134:622.0 135:12484.0 136:1522.0 137:356.0 139:52.0 144:953.0 146:581.0 149:399.0 158:68.0 159:237.0 160:66.0 161:45.0 163:48.0 167:18.0 169:14.0 178:46.0 179:11997.0 180:1513.0 181:445.0 182:55.0 184:37.0 188:108.0 193:73.0 194:797.0 195:74.0 219:190.0 234:165.0 237:19.0 255:24.0 270:29.0 271:17.0 286:14.0 287:14.0 289:27.0 291:17.0 292:21.0 297:17.0 298:13.0 320:16.0 324:22.0 329:13.0 330:27.0 347:33.0 350:16.0 390:23.0 396:23.0 399:21.0 402:25.0 409:21.0 433:19.0 443:28.0 445:12.0 447:16.0 460:17.0 462:12.0 478:20.0 486:23.0 492:29.0 497:16.0,C00180,243,WPYMKLBDIGXBTP-UHFFFAOYSA-N,2383,2669,1461,1974,4922,3353,6123,2956,4652,4157,1725,2288,893,1708,1400,7862,1558,1064,2364,1413
behenic acid,920648,117,46315,89:63.0 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,UKMSUNONTOPOIO-UHFFFAOYSA-N,4512,7080,3851,1874,27098,17376,24489,17759,10456,8668,906,4026,3281,2002,4910,17610,5656,4667,22607,3164
aspartic acid,480387,232,79,87:91.0 96:51.0 97:57.0 98:86.0 99:100.0 100:3071.0 101:325.0 102:140.0 103:85.0 115:76.0 117:579.0 118:67.0 129:72.0 130:177.0 132:82.0 133:399.0 134:83.0 142:92.0 147:1028.0 148:289.0 149:74.0 160:33.0 163:47.0 164:28.0 173:22.0 174:51.0 188:319.0 189:76.0 190:42.0 202:314.0 203:31.0 204:79.0 216:94.0 218:511.0 219:116.0 220:18.0 232:2572.0 233:417.0 234:183.0 235:21.0 267:39.0 291:15.0 306:42.0 315:14.0 316:15.0 335:36.0 344:20.0 365:13.0 379:16.0 408:22.0 482:15.0 485:20.0 494:14.0 497:35.0,C00049,5960,CKLJMWTZIZZHCS-REOHCLBHSA-N,280955,617563,120143,55579,1194821,1270055,1479686,1769038,510681,591840,61512,223367,47953,46218,48178,589268,68046,69544,249756,68063
asparagine,553078,188,146,86:261.0 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,DCXYFEDJOCDNAF-REOHCLBHSA-N,10550,16871,2826,2191,42057,28002,28539,38737,23235,24692,1977,7951,6608,11209,9902,321028,11533,5474,49735,7913
arachidonic acid,834339,91,6529,85:397.0 86:104.0 87:64.0 89:105.0 90:43.0 91:4416.0 92:1216.0 93:2782.0 94:1158.0 95:941.0 96:496.0 97:213.0 98:69.0 99:155.0 100:26.0 101:139.0 102:52.0 103:160.0 104:234.0 105:1843.0 106:1764.0 107:979.0 108:197.0 109:348.0 110:119.0 111:47.0 112:6.0 113:53.0 114:46.0 115:358.0 116:598.0 117:2905.0 118:489.0 119:1172.0 120:880.0 121:800.0 122:154.0 123:154.0 124:66.0 125:11.0 128:134.0 129:1503.0 130:371.0 131:1159.0 132:501.0 133:1103.0 134:337.0 135:386.0 136:136.0 137:43.0 139:53.0 140:38.0 141:160.0 142:156.0 143:220.0 144:187.0 145:645.0 146:235.0 147:136.0 148:78.0 149:122.0 150:537.0 151:70.0 153:4.0 154:17.0 155:92.0 157:326.0 158:257.0 159:257.0 160:128.0 161:262.0 162:153.0 163:36.0 164:85.0 165:8.0 166:10.0 167:13.0 168:43.0 169:161.0 170:19.0 171:260.0 172:15.0 173:185.0 174:60.0 175:293.0 176:125.0 177:106.0 178:22.0 181:24.0 182:17.0 183:114.0 185:58.0 187:150.0 188:68.0 189:78.0 190:56.0 193:1.0 196:9.0 197:63.0 201:121.0 203:100.0 204:39.0 207:15.0 211:42.0 215:50.0 216:30.0 217:21.0 222:18.0 238:56.0 239:20.0 240:7.0 258:121.0 259:43.0 272:29.0 278:3.0 279:3.0 281:1.0 305:18.0 308:15.0 315:5.0 322:6.0 326:13.0 327:3.0 330:1.0 346:1.0 359:2.0 367:1.0 401:4.0 467:7.0,C00219,444899,YZXBAPSDXZZRGB-DOFZRALJSA-N,1179,2407,813,715,7350,4619,13689,6233,5252,521,795,809,3893,1995,2978,4049,870,1564,4643,810
aminomalonate,455754,218,413,86:2942.0 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,JINBYESILADKFW-UHFFFAOYSA-N,1476,1945,345,414,9855,3734,9769,6580,2581,2464,382,629,1040,360,968,29333,630,768,3167,679
alpha-ketoglutarate,507392,198,294,85:208.0 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,KPGXRSRHYNQIFN-UHFFFAOYSA-N,2158,1820,1445,274,1372,1262,595,2148,958,459,234,435,341,210,402,443,1494,434,254,223
alpha-aminoadipic acid,571057,260,17973,85:1555.0 86:2633.0 87:846.0 88:680.0 89:284.0 90:386.0 92:329.0 94:164.0 95:2.0 96:908.0 98:4190.0 99:1189.0 100:13430.0 101:1626.0 102:1520.0 103:3607.0 104:385.0 105:2.0 107:7.0 108:1334.0 109:203.0 110:74.0 112:723.0 114:1527.0 115:7109.0 116:3722.0 117:7399.0 118:1068.0 119:192.0 120:191.0 124:222.0 126:23.0 128:18099.0 129:16012.0 130:3295.0 131:5367.0 132:1481.0 133:4474.0 134:744.0 135:247.0 136:38.0 137:3.0 138:163.0 139:57.0 140:230.0 141:214.0 142:443.0 143:278.0 144:226.0 145:341.0 146:146.0 147:14707.0 148:2184.0 149:2251.0 150:166.0 152:163.0 153:3.0 154:2275.0 155:305.0 156:1044.0 158:159.0 159:147.0 160:419.0 163:873.0 164:165.0 167:29.0 168:260.0 169:53.0 170:3298.0 171:545.0 172:828.0 173:237.0 174:1742.0 175:499.0 176:355.0 181:4.0 182:745.0 183:188.0 184:30.0 186:57.0 188:545.0 189:709.0 190:84.0 191:35.0 194:76.0 198:175.0 199:118.0 200:67.0 201:49.0 202:559.0 203:1433.0 204:1060.0 205:1058.0 206:381.0 211:82.0 212:83.0 216:227.0 217:20320.0 218:5974.0 219:2582.0 220:408.0 221:594.0 222:19.0 224:7.0 225:50.0 226:16.0 227:90.0 228:726.0 229:148.0 230:355.0 231:104.0 232:64.0 234:82.0 236:7.0 237:50.0 238:111.0 240:47.0 241:82.0 242:215.0 244:5053.0 245:1169.0 246:405.0 247:50.0 254:5.0 257:77.0 259:82.0 260:21422.0 261:4366.0 262:1899.0 263:354.0 265:10.0 268:290.0 270:46.0 271:5.0 272:1785.0 273:425.0 274:283.0 275:93.0 278:121.0 287:151.0 288:229.0 289:134.0 291:277.0 292:138.0 293:8.0 294:29.0 295:2.0 297:14.0 302:4.0 303:148.0 304:21.0 305:104.0 308:156.0 310:36.0 317:49.0 318:95.0 319:493.0 320:145.0 322:128.0 332:244.0 333:18.0 334:153.0 335:53.0 356:1.0 362:949.0 363:274.0 364:179.0 377:400.0 378:102.0 379:3.0 397:2.0 401:2.0 402:7.0 407:5.0 420:17.0 422:75.0 430:2.0 432:11.0 447:2.0 453:1.0 457:2.0 472:10.0 489:8.0 500:4.0,C00956,92136,OYIFNHCXNCRBQI-BYPYZUCNSA-N,225,213,183,184,262,432,157,283,2545,2247,523,247,268,197,178,5466,138,165,841,160
allantoic acid,726050,259,117021,85:9202.0 86:13527.0 87:6721.0 88:2646.0 89:3219.0 90:881.0 91:267.0 92:306.0 93:763.0 94:240.0 95:279.0 96:330.0 97:473.0 98:1578.0 99:17000.0 100:119531.0 101:43572.0 102:14466.0 103:2967.0 104:591.0 105:379.0 106:147.0 107:115.0 108:53.0 109:92.0 110:262.0 111:598.0 112:367.0 113:1495.0 114:2528.0 115:12227.0 116:26372.0 117:15426.0 118:2713.0 119:1020.0 120:394.0 121:150.0 124:100.0 125:271.0 126:703.0 127:3756.0 128:2169.0 129:13432.0 130:8899.0 131:9186.0 132:13342.0 133:6934.0 134:1708.0 135:470.0 136:124.0 137:83.0 139:323.0 140:198.0 141:1173.0 142:1873.0 143:4610.0 144:2788.0 145:1222.0 146:2306.0 147:34156.0 148:6387.0 149:3484.0 150:386.0 151:152.0 154:320.0 155:1304.0 156:654.0 157:6297.0 158:3963.0 159:3181.0 160:1313.0 161:515.0 162:167.0 164:88.0 167:62.0 168:594.0 169:827.0 170:946.0 171:7863.0 172:7214.0 173:18071.0 174:11157.0 175:4765.0 176:1291.0 177:342.0 178:90.0 182:184.0 183:143.0 184:500.0 185:1166.0 186:2949.0 187:3609.0 188:6037.0 189:53945.0 190:9682.0 191:4136.0 192:461.0 196:54.0 197:155.0 198:897.0 199:989.0 200:3080.0 201:2189.0 202:893.0 203:612.0 204:282.0 205:225.0 208:79.0 209:59.0 210:42.0 211:117.0 212:102.0 213:213.0 214:708.0 215:1391.0 216:1525.0 217:273.0 225:100.0 226:153.0 227:339.0 228:1848.0 229:933.0 230:905.0 231:766.0 232:251.0 233:99.0 238:49.0 241:392.0 242:1967.0 243:8930.0 244:3165.0 245:1204.0 246:267.0 254:71.0 257:776.0 258:2709.0 259:66275.0 260:14644.0 261:6018.0 262:832.0 263:174.0 267:50.0 268:69.0 269:170.0 270:302.0 271:885.0 272:204.0 284:246.0 285:1341.0 286:416.0 287:204.0 306:23.0 311:24.0 316:35.0 318:81.0 327:165.0 329:202.0 330:359.0 331:654.0 332:242.0 333:103.0 334:46.0 335:30.0 340:13.0 341:67.0 342:64.0 357:580.0 358:513.0 359:5884.0 360:1945.0 361:819.0 362:214.0 363:58.0 367:19.0 373:163.0 374:3390.0 375:1307.0 376:562.0 377:150.0 378:37.0 381:24.0 406:17.0 408:17.0 417:18.0 418:29.0 441:13.0 458:24.0 464:11.0 475:14.0 487:11.0,,,,467,546,442,373,766,748,988,1156,669,582,383,471,13502,8411,4372,4849,10116,13984,34510,9537
alanine-alanine,523110,116,114683,86:4308.0 87:938.0 89:660.0 90:85.0 91:105.0 92:48.0 93:88.0 94:36.0 96:133.0 97:194.0 100:3903.0 101:1008.0 102:1184.0 103:1209.0 104:93.0 105:169.0 106:46.0 107:58.0 108:46.0 110:39.0 111:55.0 114:1266.0 116:90302.0 117:10500.0 118:8719.0 119:688.0 128:1227.0 129:2108.0 130:1543.0 132:128.0 133:262.0 134:42.0 135:72.0 137:33.0 141:9.0 143:370.0 144:409.0 146:171.0 150:55.0 153:40.0 157:764.0 159:273.0 161:60.0 162:59.0 163:34.0 164:71.0 170:105.0 174:532.0 175:87.0 177:49.0 178:41.0 179:57.0 180:42.0 182:43.0 187:60.0 188:117.0 189:63.0 190:80.0 191:73.0 192:49.0 194:22.0 195:34.0 204:219.0 205:195.0 206:45.0 207:40.0 210:39.0 213:39.0 214:25.0 215:24.0 216:22.0 222:18.0 228:77.0 231:66.0 233:35.0 234:74.0 235:47.0 239:44.0 240:32.0 242:50.0 246:104.0 250:19.0 251:29.0 262:30.0 263:43.0 269:35.0 271:73.0 272:88.0 281:29.0 282:30.0 283:60.0 284:31.0 285:39.0 286:50.0 287:61.0 288:56.0 289:380.0 290:44.0 291:84.0 293:35.0 302:38.0 303:50.0 304:50.0 307:48.0 308:61.0 309:71.0 310:50.0 311:30.0 313:71.0 314:48.0 315:54.0 318:70.0 319:51.0 320:65.0 329:23.0 336:53.0 337:28.0 341:19.0 343:47.0 347:17.0 353:38.0 354:30.0 355:8.0 358:23.0 360:63.0 368:52.0 369:54.0 371:39.0 382:35.0 388:36.0 391:58.0 395:49.0 396:38.0 397:30.0 398:41.0 400:32.0 402:29.0 409:15.0 413:25.0 416:57.0 417:34.0 419:32.0 422:35.0 424:27.0 426:76.0 427:46.0 429:34.0 431:44.0 437:35.0 439:36.0 444:25.0 447:52.0 449:31.0 451:63.0 453:56.0 457:10.0 460:33.0 461:43.0 463:44.0 466:52.0 474:26.0 475:25.0 476:43.0 483:66.0 485:52.0 493:36.0 500:29.0,,,,15056,22626,9463,6933,22197,38204,32242,40906,25889,20062,4570,8544,4967,7127,4551,23801,2121,6031,19825,11588
alanine,243971,116,34178,85:333.0 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,QNAYBMKLOCPYGJ-REOHCLBHSA-N,166062,514441,134008,171492,630262,1191977,399993,891490,529531,391349,161669,143727,152463,66452,117571,365148,78373,104802,462867,103324
adenosine-5-monophosphate,1041375,315,26719,85:696.0 86:186.0 91:22.0 93:9.0 94:366.0 95:1191.0 97:483.0 98:151.0 99:737.0 101:1386.0 102:66.0 106:322.0 107:85.0 108:1903.0 109:373.0 111:385.0 112:345.0 113:986.0 114:85.0 115:885.0 116:368.0 119:38.0 120:49.0 121:622.0 123:185.0 125:488.0 126:42.0 127:526.0 129:4373.0 130:530.0 131:161.0 133:3619.0 134:404.0 135:4104.0 136:4066.0 137:529.0 138:164.0 139:179.0 140:1369.0 141:702.0 142:982.0 143:863.0 144:59.0 147:6219.0 148:1405.0 149:984.0 150:423.0 151:558.0 153:642.0 154:101.0 158:50.0 159:48.0 160:193.0 162:39.0 164:1615.0 165:562.0 167:201.0 168:62.0 169:24170.0 170:3114.0 171:2369.0 172:212.0 173:249.0 174:161.0 176:179.0 177:183.0 178:96.0 179:106.0 180:123.0 181:756.0 182:138.0 183:428.0 184:305.0 185:60.0 186:385.0 188:36.0 189:61.0 191:123.0 192:936.0 193:490.0 194:161.0 195:814.0 196:176.0 197:404.0 198:73.0 200:31.0 201:130.0 202:55.0 204:533.0 205:258.0 206:806.0 207:367.0 208:1403.0 209:309.0 210:101.0 211:4426.0 212:586.0 213:479.0 214:410.0 215:828.0 216:206.0 217:1332.0 218:335.0 219:94.0 220:95.0 221:2.0 223:17.0 224:7.0 225:877.0 226:100.0 227:975.0 228:46.0 229:90.0 230:5539.0 231:1669.0 232:687.0 233:140.0 234:725.0 235:122.0 236:193.0 237:58.0 238:80.0 240:131.0 241:82.0 242:44.0 243:3154.0 244:706.0 245:312.0 246:17.0 248:266.0 249:54.0 250:755.0 251:136.0 252:80.0 253:374.0 254:125.0 255:77.0 257:111.0 258:2969.0 259:780.0 260:425.0 261:126.0 262:339.0 263:222.0 264:164.0 265:1068.0 266:278.0 267:62.0 268:122.0 269:119.0 270:43.0 271:165.0 272:8.0 275:128.0 276:55.0 277:37.0 278:4.0 279:73.0 281:207.0 282:18.0 283:142.0 284:44.0 285:306.0 286:52.0 287:48.0 288:76.0 290:64.0 291:63.0 292:11.0 294:35.0 295:12.0 297:26.0 298:112.0 299:3521.0 300:1044.0 301:492.0 302:241.0 303:209.0 304:530.0 305:182.0 306:307.0 307:65.0 308:48.0 309:45.0 310:156.0 311:180.0 312:158.0 313:117.0 314:296.0 315:9442.0 316:2613.0 317:1237.0 318:262.0 319:188.0 320:109.0 321:75.0 322:1.0 324:9.0 325:50.0 327:141.0 328:73.0 329:51.0 330:12.0 331:16.0 333:47.0 334:56.0 335:26.0 336:41.0 337:80.0 338:45.0 342:43.0 343:64.0 344:20.0 345:20.0 351:59.0 352:46.0 354:6.0 355:128.0 356:16.0 357:33.0 359:85.0 361:206.0 362:138.0 363:37.0 367:73.0 368:19.0 369:41.0 370:5.0 371:360.0 372:124.0 373:100.0 374:3.0 376:5.0 377:19.0 378:111.0 380:37.0 381:35.0 382:789.0 383:353.0 384:112.0 385:55.0 387:66.0 388:23.0 391:21.0 393:126.0 394:733.0 395:313.0 396:95.0 397:23.0 400:8.0 401:68.0 402:28.0 404:25.0 407:27.0 408:31.0 409:104.0 410:46.0 411:67.0 412:65.0 415:34.0 416:41.0 417:1.0 418:15.0 419:10.0 423:5.0 426:5.0 429:89.0 438:10.0 444:17.0 445:5.0 446:27.0 447:22.0 449:3.0 451:21.0 455:2.0 460:50.0 463:46.0 465:1.0 472:19.0 474:12.0 478:8.0 480:21.0 486:2.0 489:18.0 492:16.0 497:5.0,C00020,6083,UDMBCSSLTHHNCD-KQYNXXCUSA-N,2511,16644,1187,1145,16901,15725,16420,19078,14624,9366,1737,7258,662,1985,891,19866,1297,910,2047,1294
adenosine,918039,236,290,85:353.0 86:112.0 89:208.0 95:41.0 98:54.0 99:460.0 100:35.0 101:439.0 102:88.0 103:2553.0 104:236.0 105:110.0 109:159.0 111:217.0 113:236.0 115:473.0 116:284.0 117:469.0 119:106.0 120:28.0 126:71.0 129:719.0 130:43.0 131:300.0 132:124.0 133:869.0 134:103.0 135:182.0 136:60.0 137:23.0 138:121.0 139:38.0 142:46.0 143:329.0 144:32.0 145:58.0 147:1456.0 148:317.0 149:320.0 151:23.0 153:75.0 155:49.0 157:111.0 158:65.0 159:46.0 161:36.0 163:32.0 164:65.0 165:357.0 166:35.0 167:26.0 169:461.0 170:40.0 172:18.0 176:112.0 181:43.0 189:137.0 191:65.0 192:1613.0 193:207.0 204:44.0 206:352.0 207:149.0 208:920.0 209:168.0 210:27.0 217:1389.0 218:314.0 219:95.0 220:42.0 229:41.0 230:3166.0 231:750.0 232:335.0 236:3623.0 237:456.0 238:57.0 243:536.0 244:93.0 245:1467.0 246:353.0 247:72.0 248:32.0 258:110.0 259:221.0 260:57.0 264:155.0 265:52.0 278:42.0 279:85.0 280:312.0 281:57.0 293:25.0 294:12.0 296:16.0 306:174.0 320:51.0 321:27.0 322:106.0 324:30.0 334:84.0 346:24.0 348:71.0,C00212,60961,OIRDTQYFTABQOQ-KQYNXXCUSA-N,310,905,323,530,2843,2303,3073,3043,1931,503,625,608,1339,351,405,1448,588,448,742,368
adenine,646534,264,1764,85:258.0 92:26.0 93:169.0 98:13.0 99:241.0 100:98.0 102:99.0 104:48.0 110:149.0 111:262.0 112:6.0 116:64.0 122:1.0 124:60.0 126:21.0 129:21.0 130:276.0 137:10.0 138:43.0 139:12.0 144:218.0 148:39.0 149:1110.0 150:48.0 152:17.0 153:364.0 157:26.0 158:2.0 160:15.0 162:52.0 164:56.0 165:208.0 166:57.0 167:27.0 180:42.0 192:582.0 202:3.0 205:36.0 206:131.0 219:65.0 221:9.0 223:14.0 225:69.0 226:52.0 235:9.0 237:68.0 238:3.0 255:145.0 264:2576.0 265:565.0 266:248.0 278:7.0 279:415.0 280:50.0 282:57.0 292:9.0 293:27.0 309:145.0 425:12.0 447:1.0 470:29.0 481:9.0,C00147,190,GFFGJBXGBJISGV-UHFFFAOYSA-N,1527,3481,955,933,5551,3758,7747,4849,5073,3313,858,1012,819,566,401,5359,741,693,1294,737
7-methylguanine NIST,768706,294,31651,85:262.0 86:94.0 90:13.0 93:4.0 94:3.0 95:30.0 98:44.0 99:972.0 100:521.0 101:141.0 102:55.0 110:97.0 111:141.0 112:12.0 113:8.0 114:24.0 115:22.0 117:134.0 123:31.0 124:48.0 125:597.0 128:42.0 129:29.0 130:588.0 131:283.0 132:12.0 138:11.0 139:46.0 140:31.0 141:31.0 143:15.0 144:12.0 145:13.0 147:46.0 150:9.0 151:57.0 153:14.0 155:25.0 156:3.0 157:93.0 158:174.0 159:10.0 168:11.0 169:21.0 171:300.0 172:45.0 173:44.0 179:23.0 180:1241.0 181:130.0 182:70.0 183:31.0 188:109.0 189:15.0 196:3.0 197:2.0 200:16.0 202:17.0 203:12.0 204:33.0 206:13.0 217:41.0 218:102.0 219:14.0 220:113.0 221:52.0 222:24.0 231:30.0 236:28.0 237:12.0 242:6.0 246:6.0 247:25.0 262:2.0 264:2.0 273:45.0 274:15.0 276:19.0 278:58.0 279:16.0 291:10.0 292:117.0 293:72.0 294:2442.0 295:644.0 296:231.0 297:34.0 307:14.0 308:52.0 309:300.0 310:85.0 311:1.0 313:2.0 316:9.0 320:4.0 322:21.0 327:9.0 334:7.0 351:6.0 367:8.0 378:1.0 380:224.0 381:73.0 382:43.0 385:2.0 394:13.0 395:78.0 396:14.0 397:9.0 406:1.0 417:9.0 459:6.0 470:1.0 476:4.0 479:14.0 487:1.0 498:3.0,,,,175,231,219,176,1312,227,294,513,419,159,169,201,778,427,254,1013,419,697,1218,523
6-deoxyglucose,573663,117,85102,85:1382.0 86:894.0 87:839.0 88:367.0 89:5317.0 90:407.0 91:305.0 95:82.0 96:126.0 97:153.0 98:192.0 99:868.0 100:2605.0 101:2321.0 102:1181.0 103:5551.0 104:561.0 105:2504.0 106:242.0 107:146.0 108:149.0 109:70.0 110:120.0 111:250.0 112:338.0 113:533.0 114:1548.0 115:2124.0 116:1054.0 117:90320.0 118:9236.0 119:3823.0 120:191.0 121:50.0 122:58.0 124:133.0 125:98.0 126:205.0 127:703.0 128:771.0 129:7381.0 130:1805.0 131:6409.0 132:758.0 133:6297.0 134:747.0 135:454.0 136:87.0 138:56.0 140:110.0 141:165.0 142:406.0 143:1372.0 144:222.0 145:539.0 146:87.0 147:16936.0 148:2614.0 149:1943.0 150:187.0 151:106.0 153:47.0 154:169.0 155:134.0 156:151.0 157:319.0 158:315.0 159:88.0 160:14702.0 161:4245.0 162:809.0 163:760.0 164:109.0 166:27.0 167:55.0 168:55.0 169:41.0 170:140.0 171:131.0 172:213.0 173:328.0 177:153.0 178:62.0 179:37.0 180:55.0 181:90.0 182:169.0 183:60.0 184:60.0 185:30.0 186:123.0 187:37.0 188:87.0 189:1535.0 190:377.0 191:1234.0 192:224.0 193:119.0 194:58.0 198:96.0 199:45.0 200:105.0 201:720.0 202:203.0 203:1191.0 204:1881.0 205:1238.0 206:313.0 207:232.0 210:32.0 211:16.0 212:97.0 214:92.0 215:145.0 216:437.0 217:3845.0 218:886.0 219:2084.0 220:350.0 221:456.0 222:90.0 223:70.0 224:40.0 225:48.0 226:31.0 227:32.0 228:258.0 229:128.0 230:129.0 231:806.0 232:323.0 233:908.0 234:485.0 235:139.0 236:50.0 237:25.0 238:27.0 240:41.0 241:46.0 242:34.0 243:97.0 244:282.0 245:141.0 246:142.0 247:70.0 248:54.0 249:28.0 251:24.0 253:39.0 254:46.0 256:177.0 257:50.0 258:72.0 259:29.0 260:472.0 261:123.0 262:139.0 263:25.0 265:35.0 267:19.0 270:87.0 272:95.0 273:65.0 274:302.0 275:84.0 276:42.0 277:3097.0 278:844.0 279:388.0 280:98.0 281:46.0 283:40.0 284:42.0 285:34.0 286:57.0 287:42.0 288:56.0 290:48.0 291:244.0 292:95.0 293:171.0 294:58.0 295:15.0 296:33.0 297:42.0 299:23.0 300:18.0 301:35.0 302:79.0 304:100.0 305:238.0 306:128.0 307:292.0 308:69.0 309:47.0 310:50.0 311:41.0 312:14.0 313:23.0 315:38.0 316:40.0 317:32.0 318:38.0 319:243.0 320:114.0 321:873.0 322:282.0 323:137.0 324:20.0 325:31.0 326:32.0 328:23.0 330:34.0 332:32.0 333:60.0 334:52.0 335:35.0 337:26.0 340:21.0 342:36.0 343:24.0 344:51.0 346:31.0 348:25.0 349:20.0 350:38.0 352:20.0 355:26.0 359:28.0 362:41.0 363:29.0 364:153.0 366:42.0 369:33.0 374:25.0 375:24.0 376:30.0 377:60.0 382:31.0 383:44.0 386:40.0 387:33.0 393:36.0 394:44.0 395:33.0 398:23.0 403:24.0 406:46.0 408:22.0 409:31.0 410:28.0 411:24.0 415:25.0 418:28.0 419:34.0 421:12.0 424:25.0 425:41.0 427:36.0 428:32.0 430:18.0 431:26.0 432:23.0 435:27.0 439:14.0 443:30.0 446:28.0 451:20.0 452:23.0 455:15.0 458:29.0 459:23.0 460:31.0 464:30.0 468:48.0 475:37.0 476:37.0 478:19.0 479:34.0 483:28.0 494:25.0 499:49.0,C08352,441480,SHZGCJCMOBCMKK-DVKNGEFBSA-N,7157,10311,5079,727,25237,1287,36737,43436,18681,8918,3724,1121,14748,11634,13170,28600,4597,2906,99017,34291
5-methoxytryptamine,864466,174,284,86:1203.0 87:181.0 88:92.0 90:42.0 92:34.0 95:29.0 100:628.0 101:65.0 102:70.0 105:49.0 110:34.0 112:50.0 115:39.0 117:67.0 118:56.0 121:41.0 124:29.0 130:92.0 131:54.0 132:79.0 135:54.0 150:31.0 155:19.0 158:46.0 159:57.0 172:30.0 174:4979.0 175:869.0 176:366.0 202:87.0 204:33.0 205:32.0 206:13.0 211:21.0 212:12.0 217:34.0 218:39.0 222:50.0 223:29.0 225:17.0 228:24.0 231:36.0 233:36.0 235:29.0 240:7.0 244:38.0 246:20.0 260:95.0 261:44.0 267:15.0 270:27.0 272:50.0 274:24.0 276:36.0 278:15.0 280:17.0 283:31.0 289:34.0 290:113.0 291:28.0 296:43.0 298:23.0 302:42.0 312:38.0 316:31.0 321:30.0 324:32.0 325:60.0 332:26.0 338:33.0 340:19.0 344:30.0 345:47.0 348:48.0 352:31.0 353:35.0 354:20.0 355:65.0 356:13.0 359:32.0 361:66.0 366:25.0 369:53.0 374:38.0 376:22.0 378:53.0 379:20.0 382:25.0 383:25.0 384:20.0 385:41.0 388:19.0 392:13.0 399:22.0 402:23.0 403:53.0 407:44.0 412:30.0 414:29.0 419:40.0 421:63.0 422:43.0 427:48.0 428:38.0 433:19.0 434:39.0 436:29.0 437:34.0 438:32.0 449:77.0 451:20.0 453:17.0 454:36.0 457:28.0 459:33.0 462:28.0 466:19.0 467:28.0 468:34.0 480:20.0 481:21.0 482:35.0 488:44.0 491:37.0 500:34.0,C05659,1833,JTEJPPKMYBDEMY-UHFFFAOYSA-N,289,1970,188,826,5577,1715,8899,6914,2174,605,909,599,453,460,1289,4678,975,546,1350,666
5-hydroxy-3-indoleacetic acid,777606,290,31552,95:15.0 101:72.0 106:26.0 134:100.0 141:29.0 142:43.0 145:9.0 146:79.0 154:6.0 168:12.0 172:17.0 174:37.0 184:6.0 186:85.0 187:14.0 188:4.0 196:11.0 198:9.0 200:12.0 202:266.0 203:46.0 204:40.0 214:15.0 216:53.0 217:147.0 218:82.0 226:9.0 234:29.0 244:6.0 247:17.0 260:59.0 264:1.0 274:15.0 288:59.0 289:8.0 290:2213.0 291:624.0 292:226.0 293:29.0 304:17.0 325:60.0 328:3.0 335:2.0 340:53.0 364:26.0 366:18.0 392:61.0 407:434.0 408:132.0 409:67.0 410:12.0 448:1.0 450:15.0 452:12.0 460:11.0 479:5.0,C05635,1826,DUUGKQCEGZLZNO-UHFFFAOYSA-N,843,1105,1009,1089,869,1288,2346,1750,3577,1036,1061,554,4629,2029,732,3796,2238,3699,3312,2341
5'-deoxy-5'-methylthioadenosine,967036,236,21821,85:99.0 86:132.0 94:26.0 96:62.0 99:123.0 100:70.0 101:24.0 105:120.0 111:44.0 112:105.0 113:82.0 114:27.0 115:34.0 121:46.0 122:14.0 123:36.0 126:141.0 129:197.0 130:26.0 134:23.0 137:43.0 138:17.0 141:16.0 142:14.0 143:9.0 145:27.0 147:46.0 149:28.0 151:2.0 155:2.0 157:5.0 162:54.0 163:36.0 164:9.0 165:196.0 167:14.0 169:374.0 170:80.0 171:39.0 173:30.0 175:661.0 176:140.0 177:69.0 179:27.0 185:14.0 188:879.0 189:163.0 190:69.0 191:115.0 192:416.0 193:4.0 195:38.0 203:29.0 204:24.0 206:71.0 207:218.0 208:208.0 209:62.0 210:7.0 211:34.0 217:27.0 218:6.0 223:42.0 227:14.0 230:20.0 234:8.0 236:1235.0 237:221.0 238:8.0 241:12.0 245:58.0 246:10.0 249:71.0 251:23.0 254:19.0 257:6.0 266:12.0 274:15.0 277:2.0 278:6.0 281:58.0 283:29.0 288:12.0 291:3.0 292:1.0 295:10.0 298:11.0 299:10.0 321:10.0 327:34.0 328:31.0 341:25.0 342:1.0 346:2.0 351:5.0 360:1.0 363:17.0 365:3.0 373:10.0 375:7.0 376:2.0 389:9.0 401:3.0 406:26.0 414:16.0 416:1.0 427:14.0 429:6.0 430:3.0 439:12.0 447:19.0 451:18.0 452:7.0 454:9.0 455:10.0 457:13.0 475:8.0 487:1.0 488:6.0 491:13.0 492:8.0 493:5.0 494:28.0 498:10.0 500:28.0,C00170,439176,WUUGFSXJNOTRMR-IOSLPCCCSA-N,241,583,209,556,1791,1402,3365,899,1497,541,636,757,218,346,528,1595,216,542,658,1068
5-aminovaleric acid,540425,174,1676,85:369.0 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,JJMDCOVWQOJGCB-UHFFFAOYSA-N,62834,154616,30959,77942,531524,415728,525413,379283,212592,81515,57289,27615,1426,1957,2589,18240,3527,1498,4017,1390
4-pyridoxic acid,673225,309,34098,88:70.0 91:240.0 92:181.0 93:158.0 95:300.0 97:217.0 98:58.0 99:395.0 100:204.0 103:353.0 104:105.0 105:182.0 107:611.0 108:32.0 109:103.0 110:16.0 111:145.0 112:85.0 114:48.0 115:227.0 116:40.0 117:178.0 118:125.0 119:429.0 120:1308.0 121:87.0 122:83.0 123:102.0 124:82.0 125:22.0 131:794.0 132:173.0 133:1755.0 134:266.0 135:202.0 136:177.0 137:151.0 138:40.0 140:39.0 142:128.0 143:145.0 144:81.0 145:3.0 146:15.0 147:8106.0 148:1983.0 149:952.0 150:168.0 151:109.0 152:68.0 157:116.0 158:45.0 159:29.0 160:11.0 162:227.0 163:75.0 164:199.0 171:63.0 175:593.0 176:188.0 177:120.0 178:483.0 179:2165.0 180:272.0 181:134.0 190:30.0 191:241.0 192:389.0 193:329.0 194:81.0 195:7.0 196:5.0 202:17.0 206:4.0 207:194.0 208:92.0 210:10.0 213:8.0 219:67.0 220:53.0 221:212.0 222:4136.0 223:755.0 224:88.0 228:3.0 234:4.0 236:232.0 237:27.0 238:23.0 241:46.0 249:30.0 250:40.0 251:40.0 252:35.0 266:5085.0 267:1671.0 268:491.0 269:35.0 280:639.0 281:374.0 282:121.0 294:121.0 295:15.0 296:3379.0 297:799.0 298:195.0 309:5126.0 310:1311.0 311:413.0 312:51.0 314:97.0 341:23.0 383:38.0 384:1535.0 385:435.0 386:215.0 398:232.0 399:330.0 400:33.0 401:21.0 452:17.0,C00847,6723,HXACOUQIXZGNBF-UHFFFAOYSA-N,385,430,389,320,233,182,915,593,444,346,350,246,222,197,271,2265,335,270,377,235
4-hydroxyphenylacetic acid,542795,179,31555,85:74.0 89:848.0 90:484.0 91:340.0 93:30.0 95:3.0 97:50.0 98:40.0 101:1.0 102:542.0 104:207.0 105:301.0 107:207.0 109:9.0 112:6.0 113:36.0 114:37.0 116:22.0 117:97.0 119:14.0 121:91.0 123:17.0 130:32.0 133:307.0 134:89.0 135:516.0 136:71.0 137:25.0 142:12.0 145:27.0 147:753.0 149:559.0 150:125.0 151:12.0 153:1.0 161:273.0 162:35.0 163:909.0 164:2215.0 165:409.0 166:53.0 169:9.0 171:18.0 172:6.0 175:71.0 177:262.0 178:67.0 179:2734.0 180:359.0 181:83.0 184:195.0 190:18.0 191:342.0 193:6.0 196:10.0 200:3.0 201:4.0 203:4.0 205:38.0 206:14.0 208:10.0 209:68.0 210:15.0 215:13.0 222:2.0 225:115.0 226:3.0 230:8.0 237:84.0 238:9.0 245:16.0 246:2.0 252:1115.0 253:385.0 254:111.0 255:21.0 259:4.0 265:17.0 273:2.0 281:659.0 282:143.0 283:27.0 289:1.0 296:636.0 297:193.0 298:67.0 305:3.0 306:16.0 315:9.0 316:2.0 321:8.0 322:1.0 333:12.0 334:5.0 335:20.0 336:7.0 337:2.0 344:13.0 348:7.0 350:1.0 373:1.0 423:1.0 447:3.0 457:5.0 470:6.0 486:4.0 496:15.0,C00642,127,XQXPVVBIMDBYFF-UHFFFAOYSA-N,32307,39876,31428,3947,2532,1541,8076,2785,46365,27702,26426,12206,2756,551,778,4793,8400,8196,2769,783
4-hydroxymandelic acid,601658,267,131944,85:296.0 90:109.0 91:971.0 92:169.0 93:182.0 95:1095.0 97:117.0 100:86.0 105:907.0 107:182.0 109:74.0 110:92.0 115:487.0 116:91.0 119:550.0 121:117.0 122:52.0 127:281.0 128:39.0 131:58.0 133:2349.0 134:292.0 135:1394.0 136:116.0 137:112.0 140:71.0 147:4696.0 149:1655.0 150:258.0 151:1492.0 152:72.0 153:52.0 161:720.0 162:67.0 163:1228.0 164:205.0 165:191.0 171:120.0 174:72.0 176:61.0 177:414.0 178:509.0 179:2530.0 180:471.0 184:10.0 187:52.0 193:2787.0 194:600.0 195:341.0 200:18.0 206:346.0 207:170.0 209:845.0 210:133.0 211:52.0 223:26.0 224:34.0 228:9.0 233:604.0 234:135.0 235:146.0 236:105.0 237:782.0 238:242.0 241:22.0 243:17.0 251:616.0 252:490.0 253:220.0 254:65.0 265:327.0 266:354.0 267:24561.0 268:6636.0 269:2541.0 270:481.0 271:64.0 283:31.0 284:25.0 296:151.0 311:170.0 326:225.0 327:44.0 340:29.0 341:1305.0 342:468.0 343:124.0 344:42.0 360:35.0 369:219.0 371:41.0 376:22.0,C11527,328,YHXHKYRQLYQUIH-UHFFFAOYSA-N,621,682,726,623,2250,3618,77850,1859,1830,950,755,1618,555,542,361,1659,855,586,769,491
4-hydroxybutyric acid,325027,233,85123,85:1473.0 86:1030.0 88:1141.0 90:78.0 97:88.0 99:1509.0 100:534.0 101:1470.0 102:152.0 103:1274.0 104:135.0 105:287.0 109:555.0 110:127.0 111:131.0 113:83.0 115:915.0 116:653.0 117:10011.0 118:922.0 119:717.0 129:821.0 130:174.0 131:930.0 132:466.0 133:1873.0 134:148.0 143:2878.0 144:298.0 147:42121.0 148:6583.0 149:3200.0 150:406.0 151:85.0 157:102.0 187:41.0 192:99.0 204:836.0 205:197.0 222:17.0 233:4427.0 234:653.0 235:99.0 240:17.0 253:16.0 282:37.0 304:23.0 307:32.0 340:19.0 350:18.0 403:16.0 411:20.0 431:18.0 459:15.0 463:24.0 494:12.0 498:19.0,C00989,10413,SJZRECIVHVDYJC-UHFFFAOYSA-N,315,375,336,372,599,473,689,396,401,437,310,343,618,317,318,757,581,435,560,375
4-hydroxybenzoate,537925,223,34016,85:234.0 86:343.0 87:138.0 88:10.0 89:445.0 90:153.0 91:1213.0 92:426.0 94:40.0 95:138.0 97:24.0 99:110.0 100:926.0 102:103.0 103:924.0 104:382.0 105:205.0 107:273.0 108:181.0 109:237.0 110:52.0 111:54.0 112:151.0 113:137.0 114:118.0 115:619.0 116:25.0 117:1204.0 118:246.0 119:2.0 120:165.0 121:272.0 122:78.0 126:804.0 128:1.0 129:116.0 130:67.0 131:85.0 132:195.0 133:25.0 134:349.0 135:418.0 136:184.0 137:84.0 138:18.0 140:177.0 143:243.0 144:24.0 145:22.0 146:102.0 147:1669.0 148:27.0 149:544.0 150:150.0 151:315.0 153:6.0 155:105.0 156:84.0 157:117.0 158:5.0 160:51.0 161:5.0 163:60.0 168:39.0 169:15.0 170:45.0 171:255.0 172:32.0 173:40.0 175:77.0 176:14.0 177:94.0 178:10.0 179:323.0 180:75.0 181:25.0 182:69.0 184:172.0 185:24.0 186:1.0 188:11.0 189:142.0 190:115.0 191:10.0 192:1864.0 193:2811.0 194:522.0 195:263.0 199:182.0 202:40.0 204:182.0 205:67.0 206:37.0 207:148.0 208:12.0 210:26.0 212:34.0 215:125.0 216:23.0 218:2562.0 219:796.0 220:302.0 221:15.0 222:3.0 223:3496.0 224:788.0 225:234.0 226:45.0 228:18.0 230:64.0 231:335.0 232:148.0 233:18.0 235:12.0 236:5.0 237:28.0 241:46.0 242:40.0 243:21.0 244:1.0 245:2.0 246:4.0 248:25.0 252:32.0 256:159.0 258:158.0 259:186.0 261:146.0 263:2.0 266:142.0 267:3126.0 268:862.0 269:277.0 270:60.0 271:18.0 272:267.0 273:92.0 274:28.0 275:85.0 276:59.0 277:2.0 278:1.0 281:101.0 282:571.0 283:128.0 284:27.0 289:267.0 290:47.0 291:47.0 292:13.0 293:26.0 294:5.0 295:1.0 299:29.0 301:47.0 305:8.0 306:2.0 307:1.0 314:62.0 318:7.0 320:34.0 321:1.0 329:40.0 333:4.0 334:4.0 338:7.0 349:15.0 351:10.0 354:10.0 359:17.0 361:12.0 362:7.0 364:8.0 366:2.0 371:18.0 383:14.0 385:22.0 389:7.0 390:16.0 391:58.0 394:13.0 398:30.0 406:1.0 412:31.0 414:10.0 421:1.0 423:18.0 424:2.0 425:1.0 434:5.0 439:2.0 445:10.0 446:1.0 458:9.0 463:6.0 466:2.0 470:7.0 471:13.0 473:18.0 477:7.0 483:1.0 484:14.0 485:7.0 487:4.0 489:2.0 492:47.0 494:1.0 500:24.0,C00156,135,FJKROLUGYXJWQN-UHFFFAOYSA-N,625,446,426,551,1250,791,52993,1118,1311,1627,738,376,371,1340,1179,4245,2798,2491,1248,1449
4-aminobutyric acid minor,488730,304,1842,85:2931.0 86:36127.0 88:1868.0 89:824.0 90:367.0 91:21.0 92:27.0 93:383.0 94:61.0 95:474.0 96:289.0 97:896.0 98:1926.0 99:2673.0 100:23284.0 101:4921.0 102:4701.0 103:1487.0 104:675.0 105:715.0 106:24.0 107:184.0 108:203.0 109:406.0 110:716.0 111:335.0 112:2089.0 113:1884.0 114:3527.0 115:3212.0 116:3300.0 117:5040.0 118:1020.0 119:1376.0 120:195.0 121:54.0 122:39.0 123:55.0 124:233.0 125:201.0 126:695.0 127:750.0 128:1904.0 129:2479.0 130:8748.0 131:8086.0 132:2534.0 133:10377.0 134:1719.0 135:870.0 136:287.0 137:75.0 138:111.0 139:163.0 140:2627.0 141:840.0 142:9851.0 143:11539.0 144:2963.0 145:1333.0 146:4278.0 147:64119.0 148:10687.0 149:6221.0 150:736.0 151:258.0 152:20.0 153:184.0 154:376.0 155:175.0 157:599.0 158:3264.0 159:640.0 160:649.0 161:355.0 162:92.0 164:120.0 165:15.0 166:19.0 168:48.0 169:168.0 170:650.0 171:1117.0 172:5187.0 173:1311.0 174:125497.0 175:23155.0 176:10451.0 177:1324.0 178:203.0 180:107.0 182:126.0 183:582.0 184:249.0 185:169.0 186:1005.0 187:500.0 188:204.0 189:23.0 190:114.0 191:158.0 192:46.0 193:38.0 195:38.0 198:129.0 199:12.0 200:757.0 201:218.0 202:70.0 203:55.0 204:346.0 205:112.0 206:143.0 207:132.0 208:32.0 209:45.0 211:62.0 212:18.0 213:85.0 214:2330.0 215:446.0 216:8413.0 217:1722.0 218:833.0 219:855.0 220:154.0 221:494.0 222:331.0 223:139.0 224:65.0 225:52.0 226:139.0 228:142.0 229:5.0 230:674.0 231:271.0 232:431.0 234:73.0 235:7.0 236:154.0 237:484.0 238:156.0 239:41.0 241:7.0 242:12.0 244:81.0 246:3528.0 247:734.0 248:332.0 249:37.0 250:7.0 252:51.0 254:11.0 256:13.0 264:45.0 268:57.0 273:3.0 275:67.0 276:215.0 278:14.0 279:44.0 281:6.0 283:102.0 288:175.0 289:6.0 294:65.0 295:66.0 297:31.0 299:116.0 300:61.0 302:34.0 303:76.0 304:15710.0 305:4628.0 306:2240.0 307:385.0 308:148.0 314:97.0 318:5.0 323:19.0 325:31.0 326:4.0 341:50.0 342:25.0 343:26.0 345:2.0 351:61.0 352:28.0 355:53.0 371:319.0 372:88.0 394:11.0 449:2.0 454:8.0 475:13.0 483:13.0 487:14.0,C00334,119,BTCSSZJGUNDROE-UHFFFAOYSA-N,1393,2538,1547,1317,3040,4775,5177,3651,4824,3322,1199,1209,7757,3278,6905,40634,6246,7256,14850,3652
3-phenyllactic acid,516011,193,113643,90:151.0 91:4047.0 92:276.0 93:36.0 101:283.0 103:861.0 104:675.0 105:348.0 115:199.0 117:554.0 118:76.0 119:236.0 120:23.0 121:151.0 123:19.0 131:1334.0 132:204.0 133:1618.0 134:213.0 135:228.0 137:22.0 144:30.0 147:9562.0 148:1737.0 149:951.0 150:54.0 161:262.0 163:188.0 164:41.0 169:74.0 175:49.0 176:17.0 177:84.0 178:39.0 190:53.0 191:160.0 192:127.0 193:7922.0 194:979.0 195:193.0 205:277.0 217:136.0 218:26.0 219:350.0 220:1026.0 221:153.0 222:28.0 226:29.0 232:19.0 251:15.0 267:371.0 268:120.0 269:30.0 283:16.0 295:194.0 296:48.0 297:24.0 350:16.0 362:15.0 363:22.0 371:17.0 387:22.0 401:18.0 444:17.0 482:14.0,,,,910,1067,892,658,1860,5260,4148,1673,2412,1021,827,864,849,1048,595,3230,393,452,4541,1411
3-hydroxypropionic acid,269265,177,1977,85:317.0 87:1774.0 88:555.0 89:599.0 90:145.0 92:72.0 94:12.0 97:21.0 98:250.0 99:13.0 100:2863.0 101:1816.0 102:1129.0 103:1749.0 104:165.0 105:296.0 106:148.0 107:346.0 108:79.0 110:47.0 111:3.0 112:18.0 114:15.0 115:504.0 116:1895.0 117:741.0 118:214.0 124:3.0 125:97.0 127:452.0 128:11.0 129:912.0 130:261.0 131:1035.0 132:105.0 133:1862.0 134:111.0 135:188.0 139:1.0 140:13.0 142:22.0 143:205.0 144:26.0 145:66.0 147:28646.0 148:4716.0 149:2312.0 150:189.0 151:130.0 156:17.0 158:75.0 159:18.0 160:20.0 163:149.0 164:23.0 167:2.0 173:17.0 175:24.0 177:5981.0 178:1098.0 179:469.0 180:75.0 182:13.0 183:24.0 184:78.0 190:2.0 199:68.0 203:2.0 204:5.0 217:43.0 219:3455.0 220:745.0 221:260.0 222:17.0 226:17.0 233:18.0 234:34.0 240:11.0 249:15.0 251:10.0 258:16.0 264:3.0 266:19.0 273:26.0 274:11.0 280:20.0 283:9.0 301:2.0 302:13.0 304:12.0 311:16.0 312:10.0 316:26.0 319:25.0 320:6.0 324:8.0 326:8.0 332:25.0 334:5.0 335:49.0 341:17.0 343:16.0 344:13.0 346:10.0 348:18.0 354:11.0 355:18.0 357:16.0 373:5.0 374:10.0 376:13.0 378:4.0 385:17.0 388:13.0 391:15.0 394:26.0 400:2.0 405:1.0 408:20.0 412:20.0 413:12.0 415:16.0 422:3.0 426:2.0 434:9.0 441:12.0 444:12.0 452:6.0 459:5.0 461:33.0 462:12.0 464:31.0 468:20.0 472:5.0 477:3.0 480:4.0 482:42.0 485:15.0 487:26.0 489:18.0 490:17.0 494:24.0,C01013,68152,ALRHLSYJTWAHJZ-UHFFFAOYSA-N,885,1106,727,700,1755,1477,2248,1492,1730,961,612,809,792,781,951,3128,817,774,1215,557
3-hydroxybutyric acid,278829,191,46,85:450.0 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,WHBMMWSBFZVSSR-GSVOUGTGSA-N,1533,20679,1493,10090,6007,2785,28630,925,1806,1322,642,586,4599,3652,1612,6004,2604,2125,831,206
3-hydroxy-3-methylglutaric acid,521554,247,32000,85:626.0 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,NPOAOTPXWNWTSH-UHFFFAOYSA-N,172,267,231,198,403,256,417,325,268,298,147,120,444,209,240,353,976,125,188,192
3-aminoisobutyric acid,452655,248,12265,85:597.0 86:13016.0 87:1490.0 88:949.0 89:797.0 90:166.0 92:362.0 93:86.0 98:30.0 100:7092.0 101:1294.0 102:1025.0 103:128.0 105:276.0 107:6192.0 108:70.0 112:39.0 113:827.0 114:1152.0 115:687.0 116:561.0 117:328.0 118:776.0 119:537.0 120:118.0 122:127.0 125:28.0 126:183.0 129:421.0 131:2577.0 132:376.0 133:6354.0 135:228.0 136:597.0 140:81.0 142:450.0 144:69.0 145:74.0 146:715.0 147:7387.0 148:1511.0 149:542.0 151:121.0 152:87.0 158:252.0 160:1872.0 161:301.0 162:163.0 166:2.0 170:16.0 171:53.0 172:544.0 173:152.0 174:33683.0 175:6070.0 176:2590.0 177:87.0 178:94.0 180:130.0 184:1172.0 185:815.0 186:1113.0 187:133.0 188:101.0 190:63.0 200:22.0 201:90.0 203:19.0 204:145.0 214:6.0 216:59.0 231:12.0 236:6.0 246:209.0 248:7590.0 249:2043.0 250:857.0 251:161.0 252:25.0 288:23.0 302:46.0 304:1925.0 305:450.0 306:289.0 307:16.0 316:16.0 341:43.0 353:3.0 355:39.0 368:2.0 384:32.0 404:28.0 475:38.0,C05145,64956,QCHPKSFMDHPSNR-UHFFFAOYSA-N,841,2334,1090,870,6349,5027,2882,8395,5522,1934,912,1515,533,350,471,1544,494,475,618,1718
"3,6-anhydro-d-hexose",602439,231,16831,85:1106.0 86:456.0 87:784.0 88:151.0 89:9261.0 90:842.0 91:422.0 93:550.0 94:779.0 95:15560.0 96:1047.0 97:371.0 98:1417.0 99:1263.0 100:1605.0 101:5484.0 102:1031.0 103:14128.0 104:1344.0 105:12134.0 106:1092.0 107:461.0 108:265.0 109:164.0 110:242.0 111:1152.0 112:677.0 113:384.0 114:326.0 115:1025.0 116:1984.0 117:10955.0 118:1193.0 119:1300.0 120:101.0 121:714.0 122:212.0 123:1036.0 124:101.0 125:325.0 126:1221.0 127:478.0 128:204.0 129:3166.0 130:562.0 131:2569.0 132:254.0 133:8643.0 134:835.0 135:653.0 136:40.0 137:191.0 139:675.0 140:333.0 141:210.0 142:2285.0 143:1844.0 144:402.0 145:211.0 146:27.0 147:19596.0 148:2633.0 149:2273.0 150:313.0 151:454.0 152:212.0 153:593.0 154:253.0 155:329.0 156:105.0 157:447.0 158:361.0 159:119.0 160:56.0 161:91.0 163:660.0 164:118.0 165:176.0 166:210.0 167:1977.0 168:650.0 169:381.0 170:352.0 171:87.0 172:311.0 173:242.0 174:194.0 175:326.0 176:44.0 177:276.0 179:122.0 180:46.0 181:223.0 182:133.0 183:264.0 184:200.0 185:291.0 186:92.0 187:65.0 189:1127.0 190:295.0 191:1803.0 192:305.0 193:228.0 194:293.0 195:361.0 196:126.0 197:230.0 198:123.0 199:8418.0 200:1418.0 201:2674.0 202:371.0 203:411.0 204:2041.0 205:4220.0 206:964.0 207:329.0 208:49.0 209:80.0 210:49.0 211:205.0 212:284.0 213:214.0 214:180.0 215:411.0 216:275.0 217:6168.0 218:1165.0 219:624.0 220:52.0 221:130.0 222:25.0 223:26.0 224:22.0 225:714.0 226:181.0 227:160.0 228:72.0 229:151.0 230:252.0 231:9909.0 232:1572.0 233:502.0 234:47.0 235:24.0 239:129.0 240:105.0 241:120.0 242:169.0 243:1657.0 244:492.0 245:183.0 250:1.0 252:23.0 253:252.0 254:86.0 255:196.0 256:272.0 257:963.0 258:188.0 259:91.0 260:108.0 262:40.0 263:12.0 268:30.0 269:261.0 270:75.0 271:190.0 272:75.0 273:474.0 274:86.0 275:64.0 277:172.0 278:74.0 279:19.0 284:66.0 285:86.0 286:69.0 287:77.0 288:44.0 289:23.0 290:31.0 291:16.0 299:205.0 300:113.0 301:82.0 302:43.0 303:17.0 304:5.0 305:113.0 306:52.0 307:1136.0 308:255.0 309:88.0 310:25.0 311:20.0 314:1.0 315:1594.0 316:492.0 317:158.0 318:45.0 319:32.0 325:18.0 326:10.0 331:414.0 332:143.0 333:726.0 334:425.0 335:139.0 336:28.0 337:7.0 340:8.0 341:2.0 346:94.0 348:3.0 359:35.0 361:59.0 363:35.0 365:1.0 367:7.0 373:4.0 375:26.0 376:15.0 377:9.0 378:31.0 379:6.0 391:12.0 403:2.0 404:26.0 405:359.0 406:128.0 407:30.0 418:7.0 421:84.0 422:54.0 425:4.0 430:13.0 437:1.0 456:20.0 466:18.0 471:1.0 484:8.0 488:12.0 493:1.0,C06478,16069993,SYSZGJKBOHEMPB-FIVCZYLNSA-N,855,913,680,866,4008,5169,2971,2632,5767,1830,912,693,750,606,846,5252,629,633,1838,646
"3,6-anhydro-D-galactose minor2",588886,231,102714,85:192.0 86:135.0 87:64.0 88:217.0 89:4369.0 90:296.0 91:328.0 92:63.0 93:171.0 94:173.0 95:2021.0 96:291.0 97:94.0 98:608.0 99:333.0 100:613.0 101:2506.0 102:326.0 103:4816.0 104:494.0 105:1735.0 106:197.0 107:96.0 108:60.0 109:30.0 110:66.0 111:435.0 112:245.0 113:287.0 114:68.0 115:458.0 116:580.0 117:2812.0 118:407.0 119:583.0 121:215.0 122:64.0 123:123.0 124:59.0 125:104.0 126:952.0 127:256.0 128:211.0 129:666.0 130:92.0 131:1314.0 132:201.0 133:4904.0 134:464.0 135:416.0 137:76.0 138:13.0 139:173.0 140:123.0 141:91.0 142:8329.0 143:1466.0 144:307.0 145:124.0 146:19.0 147:8079.0 148:1189.0 149:694.0 150:73.0 151:29.0 153:111.0 154:58.0 156:138.0 157:95.0 158:116.0 159:102.0 160:51.0 161:56.0 162:28.0 163:346.0 164:33.0 166:59.0 167:546.0 168:144.0 169:430.0 170:278.0 171:26.0 172:144.0 173:89.0 174:98.0 175:117.0 179:36.0 180:52.0 181:128.0 182:20.0 183:10.0 184:70.0 185:81.0 186:14.0 187:11.0 188:7.0 189:237.0 190:91.0 191:407.0 192:84.0 194:34.0 195:99.0 196:85.0 197:4.0 198:49.0 199:733.0 200:354.0 201:576.0 202:79.0 203:19.0 204:278.0 205:1083.0 206:213.0 207:110.0 210:47.0 211:54.0 212:102.0 213:79.0 214:57.0 215:8.0 216:58.0 217:1059.0 218:154.0 219:91.0 220:16.0 225:181.0 226:103.0 227:96.0 228:43.0 230:47.0 231:15504.0 232:2690.0 233:844.0 234:88.0 239:8.0 241:36.0 242:34.0 243:307.0 244:81.0 245:39.0 254:26.0 255:32.0 257:169.0 258:47.0 259:35.0 268:23.0 269:51.0 271:98.0 273:154.0 274:29.0 277:58.0 279:13.0 284:52.0 285:79.0 286:34.0 287:36.0 291:14.0 299:45.0 300:12.0 301:14.0 307:182.0 308:64.0 309:30.0 311:6.0 315:390.0 316:210.0 317:92.0 319:10.0 323:16.0 324:10.0 327:9.0 330:29.0 331:63.0 333:149.0 334:9.0 335:17.0 336:24.0 339:25.0 343:16.0 346:12.0 358:20.0 360:23.0 361:10.0 370:15.0 373:23.0 374:10.0 375:24.0 376:8.0 381:12.0 384:15.0 387:15.0 398:14.0 403:18.0 404:36.0 405:186.0 406:86.0 407:76.0 410:17.0 421:108.0 422:40.0 423:18.0 424:20.0 443:24.0 444:16.0 445:13.0 455:10.0 457:13.0 459:15.0 460:15.0 466:18.0 486:13.0 487:11.0 498:15.0,C06474,16069996,WZYRMLAWNVOIEX-BGPJRJDNSA-N,984,1358,936,1137,2375,2582,4244,2523,3225,2459,1136,970,1469,1176,1649,5840,1440,1396,3485,1460
"3,4-dihydroxyhydrocinnamic acid NIST",673176,179,34133,86:57.0 88:2.0 89:62.0 91:247.0 93:29.0 95:307.0 98:55.0 100:233.0 101:210.0 103:148.0 104:129.0 105:148.0 107:217.0 108:38.0 109:71.0 110:8.0 111:71.0 112:54.0 113:469.0 114:111.0 115:183.0 116:91.0 117:147.0 119:382.0 120:201.0 121:24.0 122:57.0 123:94.0 126:18.0 129:72.0 130:135.0 131:466.0 134:44.0 135:65.0 136:344.0 137:95.0 139:47.0 140:6.0 141:102.0 142:161.0 143:60.0 144:161.0 146:24.0 147:722.0 148:40.0 149:510.0 150:114.0 152:58.0 153:45.0 154:19.0 157:50.0 160:68.0 161:97.0 162:126.0 163:2.0 164:190.0 165:13.0 168:35.0 170:20.0 171:168.0 172:2.0 173:1.0 174:9.0 175:266.0 176:6.0 177:167.0 178:55.0 179:6411.0 180:665.0 181:314.0 184:3.0 188:42.0 191:43.0 192:285.0 193:295.0 196:4.0 203:15.0 207:74.0 211:40.0 214:23.0 215:1.0 217:129.0 222:96.0 223:50.0 226:11.0 233:27.0 235:9.0 237:27.0 238:12.0 241:122.0 246:11.0 247:2.0 250:1.0 251:1.0 252:2.0 253:2.0 255:73.0 259:155.0 263:20.0 264:2.0 265:174.0 266:221.0 267:1251.0 268:306.0 269:116.0 275:5.0 280:464.0 281:127.0 282:45.0 284:7.0 285:37.0 287:27.0 288:1.0 294:4.0 295:60.0 296:156.0 297:71.0 298:43.0 299:10.0 301:1.0 302:12.0 309:188.0 310:29.0 311:16.0 319:98.0 340:3.0 341:136.0 354:5.0 355:9.0 371:1.0 381:1.0 383:115.0 384:64.0 385:69.0 391:1.0 394:1.0 395:1.0 398:818.0 399:300.0 400:127.0 401:69.0 415:24.0 430:5.0 433:6.0 450:1.0 469:1.0 472:2.0 495:9.0,C10447,348154,DZAUWHJDUNRCTF-UHFFFAOYSA-N,5260,5959,4577,3583,3765,5703,8896,444,7217,3422,1243,1017,1714,1251,2269,6478,3191,509,22353,1525
"3,4-dihydroxycinnamic acid",748847,219,16546,85:1780.0 86:20.0 87:24.0 88:1684.0 89:4807.0 90:388.0 91:739.0 92:85.0 93:33.0 94:49.0 95:700.0 97:1259.0 98:647.0 99:413.0 101:816.0 102:963.0 103:1469.0 104:421.0 105:1160.0 106:113.0 107:601.0 108:95.0 109:940.0 110:199.0 111:64.0 112:116.0 113:303.0 115:3976.0 116:1253.0 117:4062.0 118:601.0 119:1232.0 120:1.0 121:523.0 122:115.0 123:7.0 124:63.0 125:51.0 127:648.0 128:467.0 129:1690.0 130:444.0 131:2606.0 132:522.0 133:3179.0 134:225.0 135:3408.0 136:577.0 137:1098.0 138:184.0 139:343.0 141:430.0 142:222.0 143:2647.0 144:254.0 145:1333.0 146:43.0 147:5029.0 148:1085.0 149:1251.0 150:94.0 151:185.0 153:33.0 155:120.0 157:520.0 158:32.0 159:514.0 160:1819.0 161:2110.0 162:407.0 163:2809.0 164:280.0 165:276.0 166:100.0 167:165.0 168:70.0 169:200.0 170:3.0 171:266.0 172:78.0 173:570.0 174:169.0 175:2718.0 176:469.0 177:546.0 178:60.0 179:1096.0 180:180.0 181:159.0 183:105.0 184:118.0 185:452.0 187:314.0 188:68.0 189:1319.0 190:1207.0 191:15520.0 192:2789.0 193:1453.0 194:199.0 195:310.0 196:143.0 197:67.0 199:657.0 200:136.0 201:189.0 202:9.0 203:1497.0 204:340.0 205:825.0 206:307.0 207:347.0 208:5.0 209:323.0 210:80.0 211:125.0 213:272.0 214:63.0 215:51.0 216:442.0 217:514.0 218:587.0 219:80049.0 220:13502.0 221:4393.0 222:627.0 223:801.0 224:138.0 225:75.0 227:105.0 229:3.0 231:132.0 232:73.0 233:2117.0 234:507.0 235:363.0 236:70.0 237:53.0 238:75.0 239:95.0 240:51.0 243:3.0 244:18.0 245:40.0 247:312.0 248:137.0 249:6334.0 250:1453.0 251:852.0 252:118.0 255:273.0 257:14.0 258:1.0 259:141.0 260:40.0 261:91.0 262:85.0 263:375.0 264:111.0 265:457.0 266:115.0 267:1354.0 268:209.0 270:86.0 275:112.0 277:161.0 278:355.0 279:176.0 280:439.0 281:194.0 282:26.0 284:27.0 286:6.0 287:16.0 288:11.0 289:26.0 290:81.0 291:489.0 292:810.0 293:2777.0 294:792.0 295:314.0 296:89.0 297:25.0 298:355.0 302:59.0 303:45.0 306:69.0 307:3583.0 308:1293.0 309:453.0 310:77.0 311:104.0 312:4.0 313:57.0 314:22.0 315:4.0 316:2.0 318:34.0 320:16.0 321:3.0 322:80.0 323:135.0 324:143.0 325:102.0 326:85.0 332:6.0 334:4.0 337:225.0 339:47.0 341:30.0 347:1.0 351:3.0 354:13.0 355:226.0 356:40.0 357:14.0 358:6.0 364:4.0 366:10.0 367:34.0 368:2.0 369:4.0 374:2.0 375:2.0 378:4.0 380:235.0 381:4951.0 382:2311.0 383:914.0 384:340.0 385:79.0 386:27.0 387:78.0 388:42.0 389:12.0 392:47.0 393:22.0 394:35.0 395:719.0 396:15032.0 397:5973.0 398:2902.0 399:858.0 400:125.0 401:33.0 405:3.0 424:3.0 429:2.0 432:8.0 441:1.0 443:9.0 454:4.0 472:7.0 478:9.0 492:3.0 493:10.0,C01197,689043,QAIPRVGONGVQAS-DUXPYHPUSA-N,358,957,319,429,1437,1747,3218,2267,726,803,397,540,401,522,538,3882,1104,2909,2168,676
3-(4-hydroxyphenyl)propionic acid,598147,179,110341,85:576.0 87:354.0 88:431.0 89:1639.0 90:679.0 91:2659.0 92:227.0 93:254.0 95:404.0 97:47.0 99:124.0 101:578.0 102:306.0 104:649.0 105:1003.0 107:471.0 110:63.0 115:641.0 116:1512.0 117:868.0 118:186.0 119:494.0 120:81.0 121:377.0 123:164.0 124:62.0 127:41.0 131:1081.0 133:818.0 134:134.0 135:1445.0 136:155.0 137:195.0 140:1363.0 141:53.0 145:234.0 147:1204.0 148:168.0 149:1752.0 150:374.0 151:1308.0 152:200.0 159:135.0 161:932.0 162:164.0 163:1970.0 164:258.0 165:230.0 166:110.0 167:38.0 175:306.0 176:2.0 177:7710.0 178:1228.0 179:34264.0 180:5090.0 181:1296.0 182:114.0 187:75.0 191:31.0 192:25941.0 193:4590.0 194:1008.0 195:181.0 196:14.0 205:427.0 206:63.0 209:39.0 238:21.0 247:28.0 251:22.0 294:8.0 295:773.0 296:223.0 297:34.0 298:36.0 299:65.0 300:28.0 305:13.0 307:30.0 310:2518.0 311:540.0 312:20.0 313:53.0 315:13.0 320:26.0 321:31.0 334:28.0 339:27.0 353:42.0 354:25.0 359:24.0 361:23.0 366:37.0 378:12.0 391:15.0 393:13.0 412:15.0 414:13.0 415:39.0 418:15.0 430:18.0 432:29.0 444:25.0 446:11.0 449:22.0 453:31.0 454:15.0 458:23.0 465:11.0 466:24.0 487:22.0,,,,78913,87836,86688,91318,185967,200191,243844,131173,282971,106799,57497,41654,343,2812,841,3502,1128,844,2611,1348
3-(3-hydroxyphenyl)propionic acid,583925,192,49497,89:291.0 93:40.0 95:377.0 96:195.0 98:245.0 121:35.0 135:49.0 151:15.0 173:14.0 176:25.0 177:220.0 179:63.0 180:67.0 192:568.0 193:139.0 205:579.0 206:39.0 310:46.0 334:3.0,C11457,91,QVWAEZJXDYOKEH-UHFFFAOYSA-N,113181,124583,124521,133778,314528,267375,285005,166539,361673,132754,77066,43498,1576,598,657,949,455,770,1448,478
3-(3-hydroxyphenyl)-3-hydroxypropionic acid nist,632357,267,31650,85:379.0 86:289.0 87:440.0 88:135.0 89:1238.0 90:336.0 91:2529.0 92:218.0 93:258.0 94:115.0 95:526.0 96:146.0 97:299.0 99:35.0 101:1118.0 102:635.0 103:794.0 104:222.0 105:539.0 106:175.0 107:285.0 109:112.0 110:48.0 111:210.0 113:98.0 114:128.0 115:1785.0 116:2111.0 117:1430.0 118:180.0 119:879.0 120:194.0 121:306.0 122:92.0 123:212.0 124:192.0 125:62.0 126:16.0 127:118.0 129:353.0 131:1912.0 132:372.0 133:2965.0 134:322.0 135:1829.0 136:51.0 137:434.0 138:170.0 139:57.0 140:6.0 141:158.0 142:85.0 143:574.0 145:340.0 146:109.0 147:13009.0 148:2620.0 149:2611.0 150:496.0 151:3150.0 152:590.0 153:193.0 154:7.0 156:44.0 158:31.0 159:248.0 160:8.0 161:1514.0 162:338.0 163:504.0 164:169.0 165:305.0 166:265.0 167:90.0 169:80.0 170:103.0 171:20.0 173:177.0 174:173.0 175:598.0 176:191.0 177:2413.0 178:484.0 179:2687.0 180:308.0 181:468.0 182:82.0 184:267.0 185:395.0 186:157.0 188:24.0 189:263.0 190:358.0 191:2154.0 192:862.0 193:1636.0 194:763.0 195:476.0 196:5.0 197:68.0 198:65.0 199:99.0 200:40.0 202:172.0 203:394.0 204:247.0 205:299.0 206:524.0 207:397.0 208:63.0 209:504.0 210:70.0 211:60.0 212:55.0 215:84.0 216:8.0 218:287.0 219:431.0 220:96.0 221:175.0 222:165.0 223:419.0 224:125.0 225:116.0 226:11.0 227:46.0 228:126.0 229:4.0 232:139.0 233:185.0 234:137.0 235:249.0 236:34.0 237:1446.0 238:542.0 239:46.0 240:22.0 242:136.0 245:17.0 246:42.0 249:140.0 250:226.0 251:1094.0 252:147.0 253:194.0 254:81.0 255:89.0 256:79.0 258:62.0 260:60.0 261:50.0 263:154.0 265:2045.0 266:1045.0 267:15577.0 268:4188.0 269:1758.0 270:250.0 271:126.0 273:27.0 276:94.0 277:251.0 279:1543.0 280:6112.0 281:1663.0 282:449.0 283:267.0 285:15.0 287:37.0 288:85.0 291:26.0 294:4.0 295:25.0 296:6.0 297:42.0 298:18.0 299:118.0 301:47.0 302:19.0 308:321.0 310:214.0 311:68.0 313:40.0 314:7.0 315:36.0 316:8.0 317:14.0 318:72.0 319:21.0 320:7.0 323:2.0 324:2.0 326:15.0 328:79.0 329:46.0 331:6.0 332:20.0 334:1.0 335:57.0 336:37.0 338:16.0 339:137.0 340:144.0 341:673.0 342:253.0 343:128.0 344:49.0 345:74.0 346:3.0 350:17.0 355:26.0 356:23.0 359:28.0 361:39.0 362:19.0 363:151.0 364:127.0 366:45.0 369:59.0 372:2.0 375:71.0 376:82.0 377:69.0 378:4.0 380:15.0 382:44.0 383:205.0 384:151.0 386:22.0 387:88.0 388:66.0 391:27.0 392:29.0 394:14.0 396:74.0 397:48.0 398:1503.0 399:751.0 400:432.0 401:120.0 402:20.0 404:32.0 406:89.0 408:2.0 409:24.0 411:2.0 413:4.0 415:71.0 416:47.0 417:86.0 418:12.0 419:69.0 420:53.0 422:4.0 428:44.0 430:67.0 431:42.0 433:74.0 435:38.0 436:91.0 437:45.0 439:10.0 440:4.0 441:19.0 442:11.0 443:22.0 444:21.0 445:19.0 446:55.0 448:16.0 449:132.0 451:7.0 453:40.0 455:13.0 459:7.0 462:72.0 463:31.0 464:51.0 466:41.0 467:10.0 468:22.0 470:23.0 472:59.0 473:20.0 475:37.0 476:2.0 478:10.0 482:4.0 483:58.0 484:58.0 485:4.0 486:10.0 487:10.0 495:37.0 496:34.0 497:1.0 498:50.0 499:50.0,,102959,KHTAGVZHYUZYMF-UHFFFAOYSA-N,361,498,490,373,1462,880,6590,1576,1094,232,377,361,207,217,183,895,326,10639,356,233
2-picolinic acid,383668,180,121035,86:84.0 92:84.0 93:239.0 95:84.0 106:547.0 108:158.0 109:135.0 115:87.0 120:119.0 122:176.0 124:29.0 125:35.0 128:45.0 136:2525.0 137:206.0 138:56.0 142:41.0 148:162.0 150:356.0 151:110.0 152:531.0 153:126.0 157:71.0 166:36.0 167:140.0 180:3764.0 181:391.0 182:142.0 204:31.0 219:28.0 226:18.0 232:21.0 257:32.0 267:68.0 287:53.0 288:18.0 289:25.0 293:23.0 294:25.0 298:27.0 322:15.0 332:14.0 472:15.0 487:14.0,,,SIOXPEMLGUPBBT-UHFFFAOYSA-N,490,519,328,472,2319,846,3423,1892,1628,1130,406,320,300,339,268,1947,299,322,777,278
2-monopalmitin,890356,129,2080,85:1173.0 86:178.0 88:144.0 89:1066.0 90:126.0 91:140.0 94:99.0 95:941.0 96:63.0 97:733.0 98:502.0 99:592.0 100:60.0 101:2348.0 102:302.0 103:7151.0 104:680.0 105:645.0 107:102.0 109:408.0 111:290.0 112:75.0 113:755.0 115:765.0 116:501.0 117:1096.0 118:156.0 119:207.0 123:127.0 125:88.0 127:131.0 128:189.0 129:12972.0 130:1803.0 131:2768.0 132:385.0 133:1642.0 134:217.0 135:186.0 137:85.0 139:19.0 143:108.0 145:474.0 146:204.0 147:7648.0 148:1225.0 149:1173.0 150:133.0 151:73.0 159:196.0 160:26.0 161:43.0 162:41.0 163:508.0 164:87.0 165:50.0 173:110.0 174:175.0 175:227.0 177:209.0 179:23.0 185:65.0 188:20.0 189:108.0 191:1803.0 192:340.0 194:31.0 201:119.0 202:39.0 203:2064.0 204:417.0 205:200.0 206:21.0 213:55.0 217:1104.0 218:3952.0 219:901.0 220:246.0 221:159.0 239:235.0 240:28.0 244:19.0 257:48.0 266:28.0 312:20.0 313:564.0 314:155.0 315:34.0 327:24.0 342:17.0 360:15.0 370:15.0 401:22.0 402:14.0 403:45.0 420:21.0,,123409,BBNYCLAREVXOSG-UHFFFAOYSA-N,14297,30916,9228,11225,79327,37759,80235,35050,11236,15064,10466,8731,6509,4512,7521,26022,5850,7075,11900,5504
2-monoolein,941794,129,84531,85:232.0 87:211.0 88:58.0 89:445.0 91:823.0 92:128.0 93:916.0 94:354.0 95:1224.0 96:388.0 97:243.0 98:63.0 99:217.0 101:1656.0 102:154.0 103:14217.0 104:1223.0 105:902.0 107:335.0 108:145.0 109:395.0 110:153.0 111:102.0 112:25.0 113:248.0 114:23.0 115:284.0 116:221.0 117:652.0 119:259.0 120:34.0 121:300.0 122:28.0 123:125.0 124:65.0 125:21.0 128:32.0 129:8919.0 130:1155.0 131:1582.0 132:109.0 133:1180.0 134:82.0 135:308.0 136:101.0 137:66.0 138:42.0 141:9.0 143:150.0 144:28.0 145:197.0 146:107.0 147:4502.0 148:866.0 149:642.0 150:101.0 151:59.0 157:56.0 159:111.0 161:30.0 163:305.0 164:82.0 166:22.0 167:21.0 169:17.0 171:88.0 172:29.0 173:49.0 174:36.0 175:226.0 176:47.0 177:151.0 178:61.0 188:32.0 189:151.0 190:22.0 191:500.0 192:29.0 194:22.0 201:220.0 202:33.0 203:711.0 204:235.0 205:92.0 208:52.0 213:17.0 215:58.0 217:521.0 218:939.0 219:486.0 220:174.0 221:28.0 222:25.0 225:21.0 237:32.0 241:19.0 244:47.0 246:28.0 255:18.0 261:24.0 262:71.0 263:43.0 264:29.0 265:12.0 270:19.0 271:7.0 276:15.0 280:14.0 281:57.0 309:20.0 311:18.0 322:12.0 326:16.0 336:12.0 337:99.0 338:34.0 341:28.0 351:16.0 367:42.0 370:14.0 387:23.0 397:19.0 408:176.0 409:75.0 410:12.0 412:25.0 413:19.0 427:27.0 429:17.0 430:24.0 447:16.0 469:18.0 471:26.0 474:15.0 477:18.0 481:17.0 483:34.0 484:40.0 485:15.0 486:17.0 500:23.0,,5319879,UPWGQKDVAURUGE-KTKRTIGZSA-N,17298,30734,28731,14521,90439,40855,70629,50084,76944,31008,14869,11671,4566,646,4066,33897,2024,3018,13756,2282
2-hydroxyvaleric acid,309587,131,25922,85:783.0 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,,98009,JRHWHSJDIILJAT-UHFFFAOYSA-N,1446,1920,1970,1459,2992,2877,3005,3419,3494,1976,1668,1172,1322,945,747,1192,1558,1187,939,829
2-hydroxyhexanoic acid,323093,159,106285,85:2528.0 86:217.0 89:1183.0 91:1239.0 92:10.0 95:533.0 96:320.0 97:3794.0 99:1207.0 100:413.0 101:9121.0 102:2348.0 103:244244.0 104:22720.0 105:10978.0 106:385.0 107:98.0 111:328.0 113:645.0 114:79.0 115:3049.0 116:1091.0 117:13399.0 118:1166.0 119:2183.0 120:143.0 121:80.0 123:138.0 125:211.0 126:184.0 127:839.0 128:82.0 129:7199.0 130:1397.0 131:13592.0 132:1792.0 133:21896.0 134:3009.0 135:1463.0 136:132.0 138:68.0 143:5138.0 144:618.0 145:1389.0 146:90.0 147:104905.0 148:16420.0 149:12352.0 150:991.0 151:327.0 153:20.0 155:100.0 157:358.0 158:475.0 159:103472.0 160:14124.0 161:4138.0 162:220.0 163:106.0 165:39.0 169:340.0 170:104.0 171:5038.0 172:718.0 173:296.0 175:937.0 176:196.0 177:16538.0 178:2166.0 179:868.0 185:137.0 187:351.0 188:36.0 189:124.0 190:3187.0 191:817.0 192:253.0 199:12.0 203:845.0 204:308.0 205:141.0 206:29.0 215:15.0 217:382.0 218:34.0 219:1293.0 220:417.0 221:157.0 222:26.0 230:19.0 231:15.0 233:5514.0 234:1116.0 235:408.0 236:94.0 245:146.0 246:30.0 255:21.0 256:19.0 260:25.0 261:3277.0 262:590.0 263:224.0 264:52.0 266:23.0 270:13.0 275:24.0 278:20.0 279:16.0 280:12.0 316:15.0 317:14.0 319:11.0 322:9.0 339:19.0 344:14.0 369:14.0 417:15.0 442:16.0 445:14.0 454:11.0 476:14.0,,,,690,927,593,457,1612,1376,1785,710,1011,605,559,376,8358,1797,1015,4059,416,501,3501,2181
2-hydroxyglutaric acid,506306,247,2000,85:987.0 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,HWXBTNAVRSUOJR-UHFFFAOYSA-N,3721,4430,2398,1194,12754,23055,8334,10265,1685,1625,257,730,2039,1207,666,3659,3426,1647,648,182
2-hydroxybutanoic acid,258161,131,40,86:245.0 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,AFENDNXGAFYKQO-VKHMYHEASA-N,1197,4711,1276,1260,3840,6483,5773,2727,3650,1846,3560,1018,2294,1256,1184,9008,1920,1249,1705,1673
2-deoxytetronic acid,433456,189,1208,85:3678.0 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,,150929,DZAIOXUZHHTJKN-UHFFFAOYSA-N,1213,1597,818,1243,4543,3325,4576,2106,2548,5968,682,347,3240,2361,3017,16945,2872,2808,8035,2373
2-deoxypentitol NIST,521785,231,21714,86:46.0 88:28.0 89:367.0 90:3.0 95:6.0 98:2.0 99:11.0 100:23.0 101:430.0 103:1724.0 104:27.0 108:40.0 114:18.0 115:39.0 116:38.0 117:1441.0 118:62.0 119:35.0 129:1593.0 131:604.0 133:684.0 134:7.0 143:75.0 145:46.0 147:2914.0 148:403.0 149:190.0 155:107.0 159:21.0 163:94.0 171:245.0 172:17.0 174:77.0 175:47.0 189:139.0 190:8.0 200:16.0 203:169.0 204:37.0 205:891.0 206:114.0 207:17.0 217:14.0 231:2456.0 232:409.0 233:171.0 244:29.0 431:1.0 461:7.0 481:17.0,,249377,ZDAWZDFBPUUDAY-UHFFFAOYSA-N,284,222,188,177,398,317,435,385,209,268,235,200,1252,681,1789,6526,2461,1741,538,432
2'-deoxyguanosine,962182,295,66347,86:2040.0 87:1083.0 88:190.0 92:139.0 95:2345.0 98:1403.0 99:4292.0 100:2864.0 101:6663.0 102:1254.0 103:28013.0 104:2187.0 106:43.0 110:418.0 111:3389.0 112:745.0 115:2873.0 116:4328.0 117:5319.0 124:464.0 126:476.0 127:1111.0 128:776.0 130:1554.0 131:4490.0 132:2283.0 133:6645.0 134:1134.0 137:481.0 138:959.0 140:130.0 142:841.0 143:1812.0 144:2945.0 145:2257.0 146:1088.0 148:1407.0 152:178.0 155:4343.0 157:3612.0 159:464.0 162:275.0 164:467.0 165:735.0 166:4530.0 167:1851.0 168:1476.0 169:5528.0 170:5084.0 171:5603.0 172:640.0 173:487.0 174:5142.0 175:3236.0 178:263.0 182:705.0 184:137.0 186:253.0 189:1361.0 190:1530.0 192:148.0 194:539.0 196:192.0 198:967.0 199:409.0 200:515.0 201:106.0 202:668.0 206:237.0 207:822.0 208:833.0 209:580.0 210:289.0 212:16.0 213:44.0 214:457.0 216:98.0 219:4043.0 220:1036.0 221:865.0 222:1119.0 223:1233.0 224:562.0 227:1239.0 228:540.0 234:218.0 235:97.0 236:139.0 238:762.0 239:993.0 241:46.0 251:317.0 252:214.0 254:15.0 255:283.0 256:29.0 261:363.0 262:303.0 263:201.0 264:2447.0 265:2628.0 266:956.0 269:244.0 270:370.0 276:52.0 277:149.0 278:614.0 279:1015.0 280:32349.0 281:28511.0 282:11080.0 283:2773.0 284:667.0 286:198.0 287:311.0 288:359.0 289:402.0 290:181.0 291:341.0 293:1343.0 294:1190.0 295:19938.0 296:17797.0 297:7413.0 298:1807.0 299:842.0 304:161.0 306:1464.0 307:1361.0 308:2140.0 309:817.0 311:58.0 312:12.0 314:140.0 317:101.0 318:202.0 321:307.0 322:764.0 323:763.0 324:2836.0 325:3813.0 326:1806.0 328:422.0 329:231.0 330:139.0 335:302.0 338:139.0 340:58.0 341:140.0 344:18.0 347:28.0 350:126.0 352:428.0 353:792.0 354:447.0 355:394.0 356:129.0 367:308.0 371:72.0 372:65.0 375:31.0 376:63.0 378:17.0 379:20.0 383:78.0 384:26.0 385:55.0 386:48.0 390:15.0 392:69.0 393:45.0 394:255.0 395:343.0 398:97.0 402:38.0 404:47.0 405:46.0 408:64.0 409:208.0 411:503.0 414:64.0 415:4.0 419:1.0 423:159.0 424:187.0 425:209.0 428:20.0 429:98.0 433:20.0 434:2.0 435:169.0 437:16.0 438:87.0 440:66.0 441:35.0 442:56.0 443:105.0 444:17.0 447:74.0 449:21.0 450:19.0 452:53.0 453:118.0 457:63.0 459:38.0 463:167.0 464:14.0 465:144.0 466:104.0 467:9.0 468:90.0 470:11.0 473:9.0 474:26.0 479:27.0 480:42.0 482:5.0 483:16.0 484:127.0 485:20.0 491:2.0 494:65.0 495:31.0,C00330,187790,YKBGVTZYEHREMT-KVQBGUIXSA-N,340,502,303,224,348,229,152591,435,328,282,333,3419,222,222,267,506,271,277,611,233
2-deoxyerythritol,355045,117,102843,86:255.0 87:3691.0 88:1982.0 89:4813.0 90:485.0 91:620.0 92:107.0 94:88.0 95:139.0 98:138.0 99:1285.0 100:326.0 101:17767.0 102:2800.0 103:31803.0 104:2971.0 105:2763.0 106:180.0 109:94.0 110:87.0 111:355.0 112:163.0 113:481.0 114:229.0 115:7863.0 116:51006.0 117:147126.0 118:16979.0 119:8974.0 120:667.0 121:341.0 122:29.0 123:61.0 124:14.0 125:98.0 127:1061.0 128:237.0 129:15276.0 130:3803.0 131:16165.0 132:2197.0 133:31845.0 134:4683.0 135:3092.0 136:365.0 137:160.0 138:35.0 139:29.0 140:46.0 141:120.0 142:346.0 143:7060.0 144:883.0 145:1562.0 146:300.0 147:63533.0 148:10716.0 149:8523.0 150:968.0 151:606.0 152:59.0 157:54.0 158:25.0 159:312.0 160:60.0 161:221.0 162:63.0 163:1256.0 164:201.0 165:178.0 166:33.0 167:68.0 171:60.0 172:20.0 173:163.0 174:221.0 175:2114.0 176:389.0 177:3293.0 178:488.0 179:270.0 180:98.0 181:74.0 182:31.0 183:25.0 184:93.0 185:78.0 186:24.0 187:39.0 188:37.0 189:2880.0 190:578.0 191:3604.0 192:481.0 193:256.0 194:28.0 195:35.0 198:16.0 199:21.0 200:22.0 201:30.0 203:129.0 204:5994.0 205:20894.0 206:3925.0 207:2012.0 208:314.0 209:75.0 210:19.0 211:45.0 213:27.0 216:22.0 217:6397.0 218:1170.0 219:6121.0 220:1091.0 221:750.0 222:106.0 223:69.0 224:38.0 225:37.0 227:18.0 228:19.0 231:126.0 232:572.0 233:118.0 234:42.0 242:22.0 243:37.0 244:15.0 245:22.0 249:29.0 254:26.0 255:39.0 257:27.0 258:120.0 262:30.0 266:27.0 268:44.0 271:15.0 273:24.0 277:63.0 278:23.0 281:18.0 282:19.0 283:33.0 284:33.0 288:17.0 291:26.0 293:61.0 294:29.0 299:393.0 300:104.0 303:25.0 304:24.0 305:43.0 306:30.0 311:15.0 313:26.0 314:38.0 315:27.0 316:28.0 318:18.0 320:23.0 322:24.0 330:25.0 332:21.0 340:23.0 346:20.0 348:15.0 349:15.0 350:22.0 352:20.0 355:22.0 356:15.0 359:12.0 362:14.0 363:16.0 366:22.0 367:13.0 372:18.0 373:12.0 374:15.0 375:19.0 379:30.0 380:30.0 384:21.0 386:17.0 393:17.0 396:18.0 404:17.0 409:13.0 412:14.0 416:21.0 419:16.0 423:12.0 425:15.0 427:14.0 432:16.0 433:19.0 439:18.0 443:18.0 446:21.0 449:17.0 451:23.0 456:15.0 458:14.0 460:14.0 464:19.0 466:24.0 469:15.0 473:13.0 475:12.0 483:25.0 489:15.0 499:22.0,,18302,ARXKVVRQIIOZGF-UHFFFAOYSA-N,12343,13247,17569,5624,5901,9557,20046,6328,7907,4112,3524,1173,970,933,874,3796,807,974,1091,617
"2,8-dihydroxyquinoline",626989,290,104444,87:102.0 88:99.0 89:206.0 90:68.0 95:23.0 101:41.0 102:51.0 103:154.0 104:35.0 114:72.0 115:280.0 116:203.0 117:27.0 128:71.0 129:93.0 131:54.0 132:39.0 133:73.0 135:37.0 140:31.0 141:30.0 142:66.0 143:123.0 148:163.0 150:67.0 151:27.0 156:46.0 158:46.0 159:349.0 160:63.0 161:38.0 162:28.0 169:14.0 170:25.0 172:110.0 173:26.0 174:28.0 176:19.0 180:24.0 186:82.0 187:385.0 188:185.0 189:37.0 190:40.0 192:17.0 197:37.0 198:30.0 200:31.0 201:13.0 202:680.0 203:98.0 204:99.0 205:71.0 214:26.0 216:49.0 217:626.0 218:196.0 219:118.0 220:60.0 230:36.0 232:49.0 235:25.0 236:19.0 242:17.0 274:40.0 288:167.0 289:136.0 290:2297.0 291:848.0 292:307.0 293:90.0 304:78.0 305:66.0 306:43.0 340:15.0,C06342,97250,ZXZKYYHTWHJHFT-UHFFFAOYSA-N,10021,11262,9439,15314,28480,36598,29035,11194,37095,13755,8819,5922,744,308,3441,14220,2884,3264,8306,3259
"2,6-diaminopimelic acid",686035,200,133922,86:650.0 90:154.0 96:107.0 97:67.0 98:89.0 99:196.0 100:2211.0 102:795.0 107:185.0 108:159.0 109:165.0 110:472.0 111:139.0 113:71.0 114:584.0 115:245.0 117:308.0 122:203.0 125:42.0 126:1004.0 128:5835.0 129:1002.0 130:287.0 131:610.0 133:758.0 134:76.0 140:163.0 142:619.0 143:229.0 144:338.0 146:199.0 147:3426.0 148:745.0 154:766.0 155:977.0 160:71.0 166:60.0 170:89.0 171:393.0 172:253.0 177:34.0 180:47.0 181:954.0 182:1198.0 183:180.0 184:666.0 185:38.0 188:158.0 190:138.0 191:164.0 198:23.0 200:9711.0 201:1059.0 202:260.0 205:57.0 214:72.0 218:324.0 219:244.0 222:64.0 228:98.0 230:126.0 250:28.0 253:33.0 255:69.0 270:42.0 271:294.0 272:5118.0 273:915.0 274:338.0 299:50.0 314:51.0 374:103.0 375:27.0 414:53.0 463:28.0 464:37.0 465:56.0 478:101.0 479:38.0 500:35.0,,,,1000,1772,496,492,1222,1789,2468,2977,2196,2370,448,682,348,239,281,2234,308,364,641,252
"2,5-dihydroxypyrazine NIST",397526,241,2254,85:168.0 86:172.0 87:115.0 93:14.0 97:710.0 98:27.0 100:66.0 108:4.0 109:15.0 111:179.0 113:419.0 114:172.0 115:562.0 127:101.0 128:126.0 129:169.0 130:13.0 140:38.0 144:10.0 145:499.0 146:11.0 167:155.0 168:17.0 172:5.0 174:1.0 177:4.0 182:157.0 183:31.0 197:1.0 211:11.0 213:6.0 215:3.0 241:1811.0 242:397.0 243:132.0 255:138.0 256:387.0 257:73.0 258:12.0 302:5.0 311:2.0 328:1.0 337:1.0 395:8.0 406:4.0 455:3.0 465:4.0,,23368901,USHRADXTTYICIJ-UHFFFAOYSA-N,232,457,206,320,700,663,590,709,540,532,237,258,782,364,487,7360,452,549,1277,381
"2,4-diaminobutyric acid",570766,174,104406,86:4905.0 87:90.0 88:301.0 91:62.0 94:20.0 98:160.0 99:142.0 100:4281.0 101:897.0 102:1077.0 103:277.0 112:246.0 113:93.0 114:435.0 115:672.0 116:612.0 118:65.0 119:157.0 126:145.0 127:154.0 128:428.0 129:233.0 130:1039.0 131:479.0 132:493.0 133:942.0 134:73.0 135:57.0 139:76.0 142:61.0 145:112.0 146:917.0 147:2627.0 148:46.0 149:79.0 155:335.0 157:53.0 158:170.0 170:85.0 171:44.0 172:682.0 174:11594.0 175:1951.0 176:1071.0 177:28.0 184:71.0 186:26.0 188:1426.0 189:311.0 190:241.0 199:44.0 200:1502.0 201:413.0 202:464.0 203:204.0 215:31.0 216:63.0 218:334.0 219:1423.0 220:221.0 221:141.0 227:76.0 231:38.0 245:41.0 248:37.0 275:28.0 288:30.0 289:16.0 290:67.0 291:242.0 292:79.0 293:39.0 294:25.0 301:97.0 302:99.0 304:95.0 305:77.0 317:94.0 318:14.0 345:34.0 391:40.0 392:36.0 406:99.0 407:87.0 435:26.0 456:17.0,C03283,134490,OGNSCSPNOLGXSM-VKHMYHEASA-N,869,1100,300,351,2350,1754,2258,4310,1828,1344,301,585,259,781,308,3278,351,244,462,1514
1-monostearin,959214,203,648,85:2387.0 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,VBICKXHEKHSIBG-UHFFFAOYSA-N,340,1832,650,694,3007,2010,3598,875,1612,1102,401,315,474,333,344,2744,490,653,2936,602
1-monopalmitin,901749,129,2070,85:11049.0 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,QHZLMUACJMDIAE-UHFFFAOYSA-N,8402,23314,10184,8583,32613,28516,35584,8782,36034,11684,9108,4650,1685,1261,930,2234,3149,846,2466,1352
1-methyladenosine,829921,259,106901,87:114.0 88:94.0 89:616.0 90:83.0 92:43.0 94:28.0 95:82.0 96:126.0 97:728.0 98:68.0 99:269.0 101:792.0 102:237.0 103:9854.0 104:917.0 105:242.0 107:72.0 108:259.0 110:108.0 111:203.0 113:300.0 115:2852.0 116:626.0 117:1680.0 118:221.0 119:192.0 121:27.0 122:69.0 125:51.0 126:88.0 129:1501.0 130:201.0 131:876.0 132:134.0 133:1144.0 134:156.0 136:64.0 138:159.0 139:43.0 140:48.0 141:303.0 142:133.0 143:936.0 144:111.0 145:485.0 147:2738.0 148:297.0 149:394.0 150:47.0 151:181.0 152:68.0 153:330.0 155:102.0 156:152.0 157:573.0 158:147.0 159:187.0 163:70.0 167:26.0 169:1612.0 170:265.0 171:273.0 172:23.0 173:77.0 174:86.0 175:51.0 176:35.0 177:68.0 178:33.0 181:71.0 182:54.0 183:30.0 187:29.0 189:444.0 190:145.0 191:182.0 197:30.0 202:28.0 203:151.0 204:418.0 205:126.0 206:108.0 214:48.0 215:135.0 216:23.0 217:1190.0 218:276.0 219:120.0 223:63.0 224:26.0 229:241.0 230:145.0 231:313.0 232:87.0 234:239.0 235:856.0 236:88.0 237:34.0 239:29.0 243:1087.0 244:321.0 245:282.0 246:67.0 247:94.0 248:56.0 249:78.0 250:68.0 258:29.0 259:3227.0 260:838.0 261:401.0 262:94.0 263:95.0 265:29.0 275:39.0 276:27.0 289:22.0 300:24.0 305:51.0 307:52.0 321:43.0 322:29.0 323:41.0 333:60.0 347:13.0 348:17.0 349:227.0 350:105.0 355:22.0 364:16.0 365:87.0 366:38.0 367:32.0 389:28.0 417:21.0 419:24.0 429:31.0 437:55.0 438:47.0 439:28.0 449:27.0 496:38.0 499:28.0,,,GFYLSDSUCHVORB-JOLDIKRXSA-N,232,216,186,175,520,352,357,312,275,274,167,177,799,269,269,3818,244,682,1000,360
1-kestose,1123027,361,14692,85:82.0 86:7.0 87:73.0 88:49.0 89:205.0 90:6.0 91:36.0 92:11.0 93:9.0 94:6.0 95:27.0 96:65.0 97:71.0 98:15.0 99:87.0 100:11.0 101:252.0 102:170.0 103:4097.0 104:359.0 105:175.0 106:23.0 107:40.0 108:5.0 109:193.0 110:14.0 111:55.0 112:15.0 113:139.0 114:34.0 115:149.0 116:95.0 117:736.0 118:77.0 119:85.0 120:6.0 121:16.0 122:12.0 123:22.0 124:13.0 125:21.0 126:24.0 127:99.0 128:17.0 129:2764.0 130:381.0 131:365.0 132:52.0 133:541.0 134:76.0 135:54.0 136:32.0 137:16.0 138:9.0 139:63.0 140:34.0 141:109.0 142:173.0 143:462.0 144:72.0 145:132.0 146:24.0 147:2852.0 148:504.0 149:388.0 150:36.0 151:40.0 152:3.0 153:63.0 154:83.0 155:297.0 156:64.0 157:432.0 158:64.0 159:63.0 160:6.0 161:58.0 162:20.0 163:52.0 164:8.0 165:15.0 166:5.0 167:32.0 168:5.0 169:2199.0 170:318.0 171:175.0 172:28.0 173:137.0 174:31.0 175:76.0 176:13.0 177:47.0 178:15.0 179:11.0 180:18.0 181:61.0 182:17.0 183:177.0 184:45.0 185:75.0 186:16.0 187:23.0 188:6.0 189:390.0 190:88.0 191:825.0 192:130.0 193:45.0 194:39.0 195:11.0 196:9.0 197:33.0 198:11.0 199:80.0 200:3.0 201:77.0 202:1.0 203:110.0 204:487.0 205:275.0 206:42.0 207:91.0 208:52.0 209:55.0 210:18.0 212:15.0 213:21.0 214:15.0 215:184.0 216:62.0 217:6037.0 218:1228.0 219:541.0 220:116.0 221:129.0 222:35.0 223:33.0 224:19.0 225:19.0 226:11.0 227:35.0 228:30.0 229:165.0 230:531.0 231:268.0 232:92.0 233:126.0 234:43.0 235:16.0 236:14.0 237:9.0 238:16.0 239:30.0 240:1.0 241:50.0 242:11.0 243:591.0 244:172.0 245:175.0 246:62.0 247:62.0 248:14.0 249:24.0 250:21.0 251:36.0 252:6.0 253:14.0 254:4.0 255:60.0 256:40.0 257:231.0 258:57.0 259:135.0 260:37.0 261:25.0 262:37.0 263:27.0 264:7.0 265:31.0 266:24.0 268:12.0 269:2.0 270:6.0 271:758.0 272:177.0 273:152.0 274:50.0 275:35.0 276:28.0 277:27.0 278:16.0 279:21.0 280:5.0 281:12.0 282:8.0 283:30.0 284:7.0 285:31.0 286:9.0 287:15.0 288:9.0 289:35.0 290:26.0 291:78.0 292:38.0 293:24.0 294:18.0 295:10.0 296:20.0 297:9.0 298:7.0 299:13.0 300:4.0 301:15.0 302:22.0 303:13.0 304:21.0 305:110.0 306:34.0 307:35.0 308:18.0 309:8.0 310:9.0 311:13.0 312:12.0 313:20.0 314:13.0 315:25.0 316:8.0 317:46.0 318:21.0 319:202.0 320:113.0 321:59.0 322:26.0 323:7.0 324:2.0 325:13.0 326:3.0 327:28.0 328:10.0 329:10.0 330:3.0 331:113.0 332:71.0 333:35.0 334:28.0 335:18.0 336:20.0 337:23.0 338:8.0 339:13.0 340:20.0 341:19.0 342:22.0 343:15.0 344:13.0 345:29.0 346:38.0 347:24.0 348:15.0 349:6.0 350:16.0 352:18.0 353:6.0 354:3.0 355:12.0 356:5.0 357:9.0 358:1.0 359:15.0 360:197.0 361:3314.0 362:1293.0 363:560.0 364:160.0 365:42.0 366:8.0 367:12.0 368:3.0 369:24.0 370:15.0 371:14.0 372:17.0 373:4.0 374:19.0 375:8.0 376:3.0 377:10.0 378:11.0 379:27.0 380:8.0 381:6.0 382:7.0 383:3.0 384:16.0 385:25.0 386:8.0 387:22.0 388:17.0 389:4.0 390:9.0 391:6.0 392:5.0 393:12.0 394:6.0 397:2.0 399:13.0 400:6.0 401:25.0 402:17.0 403:36.0 404:9.0 405:5.0 406:1.0 407:28.0 408:14.0 409:10.0 410:3.0 411:11.0 412:17.0 413:5.0 414:11.0 416:5.0 417:15.0 418:11.0 420:17.0 421:29.0 422:7.0 423:3.0 424:18.0 425:18.0 426:14.0 427:4.0 428:4.0 429:31.0 430:18.0 431:6.0 432:19.0 433:8.0 434:19.0 435:20.0 436:76.0 437:442.0 438:232.0 439:130.0 440:47.0 441:33.0 442:18.0 443:6.0 444:5.0 445:12.0 446:19.0 447:8.0 448:13.0 449:15.0 450:63.0 451:343.0 452:198.0 453:118.0 454:44.0 455:15.0 456:21.0 457:10.0 459:29.0 461:25.0 462:12.0 463:12.0 464:1.0 465:3.0 466:14.0 467:2.0 468:5.0 469:16.0 470:7.0 471:15.0 472:8.0 473:3.0 475:30.0 476:3.0 477:3.0 478:2.0 479:7.0 480:7.0 481:5.0 482:4.0 483:6.0 484:7.0 485:10.0 486:15.0 487:3.0 488:6.0 489:5.0 490:8.0 491:6.0 492:16.0 494:5.0 495:12.0 496:9.0 497:6.0 498:6.0 500:19.0,C03661,440080,VAWYEUIPHLMNNF-OESPXIITSA-N,513,839,314,420,913,2434,411,680,3523,7975,447,548,266,636,1185,7533,1243,300,214395,471
1-hexadecanol,679596,299,16713,85:705.0 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,BXWNKGSJHAJOGX-UHFFFAOYSA-N,606,763,458,603,784,1028,1266,2220,1569,851,559,506,258,486,216,746,220,206,584,577
1-deoxyerythritol,357129,117,17781,85:236.0 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,,,,13271,14024,18385,1440,2093,3676,23492,2552,3819,2139,1078,972,1840,1180,1532,3779,2531,2405,813,942
"1,5-anhydroglucitol",633969,217,17,85:3830.0 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 99:4523.0 100:383.0 101:27052.0 102:3840.0 103:44003.0 104:4289.0 105:3288.0 106:166.0 107:339.0 108:152.0 109:586.0 110:532.0 111:3639.0 112:380.0 113:5892.0 114:996.0 115:8674.0 116:15923.0 117:26062.0 118:3201.0 119:4964.0 120:514.0 121:428.0 122:73.0 123:80.0 124:59.0 125:266.0 126:138.0 127:3116.0 128:1342.0 129:44192.0 130:7004.0 131:16227.0 132:2580.0 133:31829.0 134:4616.0 135:2973.0 136:334.0 137:223.0 138:70.0 139:298.0 140:149.0 141:1384.0 142:1008.0 143:11204.0 144:1325.0 145:2278.0 146:503.0 147:103768.0 148:16824.0 149:17359.0 150:1700.0 151:1105.0 152:187.0 153:506.0 154:288.0 155:3976.0 156:731.0 157:11062.0 158:1125.0 159:2711.0 160:378.0 161:1000.0 162:293.0 163:4079.0 164:627.0 165:397.0 166:95.0 167:1276.0 168:217.0 169:5026.0 170:1008.0 171:1394.0 172:176.0 173:661.0 174:782.0 175:2090.0 176:321.0 177:2408.0 178:387.0 179:263.0 180:64.0 181:42.0 182:598.0 183:9155.0 184:1185.0 185:1183.0 186:205.0 187:501.0 188:112.0 189:8886.0 190:2284.0 191:33488.0 192:5772.0 193:2658.0 194:246.0 195:136.0 196:45.0 197:66.0 199:156.0 200:52.0 201:492.0 203:10335.0 204:12038.0 205:4707.0 206:1236.0 207:1049.0 208:205.0 209:154.0 210:59.0 213:74.0 214:135.0 215:2109.0 216:620.0 217:48114.0 218:25171.0 219:7780.0 220:1722.0 221:1964.0 222:226.0 223:82.0 225:34.0 227:59.0 228:59.0 229:1433.0 230:909.0 231:4333.0 232:978.0 233:799.0 234:168.0 235:94.0 237:31.0 240:21.0 241:113.0 242:357.0 243:1593.0 244:591.0 245:2623.0 246:948.0 247:488.0 248:113.0 249:63.0 252:25.0 255:277.0 256:141.0 257:5708.0 258:1399.0 259:8277.0 260:1640.0 261:693.0 262:107.0 263:61.0 265:151.0 270:24.0 271:313.0 272:1758.0 273:1684.0 274:626.0 275:333.0 277:110.0 278:58.0 279:23.0 289:36.0 291:389.0 293:80.0 296:13.0 298:17.0 305:869.0 306:603.0 307:493.0 308:162.0 309:52.0 317:176.0 318:117.0 319:969.0 320:351.0 321:206.0 322:53.0 323:30.0 327:19.0 329:22.0 330:23.0 331:511.0 332:538.0 333:57.0 334:101.0 335:111.0 336:61.0 337:33.0 340:21.0 347:270.0 348:102.0 349:836.0 350:279.0 351:111.0 357:19.0 359:30.0 361:61.0 362:909.0 363:296.0 364:198.0 387:25.0 395:19.0 397:14.0 398:13.0 399:25.0 401:24.0 405:16.0 407:26.0 413:14.0 418:21.0 420:21.0 426:13.0 427:16.0 434:12.0 435:12.0 438:59.0 441:26.0 442:17.0 444:24.0 450:28.0 451:27.0 452:86.0 453:46.0 454:54.0 455:21.0 458:17.0 460:30.0 466:24.0 468:29.0 470:18.0 474:20.0 478:23.0 485:27.0 494:21.0,C07326,64960,MPCAJMNYNOGXPB-SLPGGIOYSA-N,534,1119,561,506,3150,1638,286,5954,2341,1478,475,517,8549,7313,8048,41225,7095,7531,6293,7543
"1,2-anhydro-myo-inositol NIST",651472,318,16557,85:790.0 86:151.0 87:1307.0 88:8.0 90:93.0 91:58.0 95:305.0 97:198.0 98:63.0 99:708.0 101:2297.0 102:106.0 103:7446.0 104:505.0 109:190.0 110:51.0 111:679.0 112:156.0 113:813.0 116:1127.0 119:592.0 124:1.0 125:76.0 126:241.0 127:578.0 129:10841.0 131:3376.0 132:122.0 133:9161.0 134:1359.0 135:672.0 137:79.0 138:32.0 139:109.0 140:12.0 141:333.0 142:319.0 143:2694.0 144:231.0 146:121.0 147:30131.0 148:4448.0 149:3552.0 150:132.0 151:242.0 152:68.0 153:155.0 155:543.0 156:255.0 157:399.0 158:43.0 159:76.0 161:488.0 168:99.0 169:628.0 170:98.0 171:372.0 172:260.0 173:84.0 175:771.0 176:151.0 177:659.0 178:150.0 179:11.0 181:154.0 183:92.0 185:67.0 187:86.0 188:327.0 189:3902.0 190:1146.0 191:16422.0 192:2781.0 193:1448.0 194:183.0 195:72.0 197:19.0 199:83.0 200:86.0 201:405.0 202:142.0 203:873.0 204:17003.0 205:5597.0 206:1692.0 207:935.0 208:372.0 209:36.0 212:69.0 214:65.0 215:434.0 217:15028.0 218:2686.0 219:1369.0 221:2100.0 222:486.0 223:236.0 224:55.0 227:56.0 228:55.0 230:380.0 231:500.0 232:45.0 234:50.0 236:32.0 237:24.0 239:154.0 240:41.0 241:52.0 242:114.0 243:845.0 244:167.0 245:213.0 249:100.0 250:15.0 254:137.0 255:164.0 256:16.0 257:87.0 258:38.0 259:285.0 260:29.0 264:87.0 265:3046.0 266:763.0 267:398.0 268:36.0 269:52.0 270:13.0 271:213.0 272:172.0 273:913.0 274:189.0 275:10.0 276:26.0 278:151.0 279:16.0 281:51.0 285:8.0 287:6.0 288:24.0 289:68.0 291:1522.0 292:493.0 293:333.0 294:68.0 295:67.0 298:7.0 299:20.0 301:33.0 302:57.0 303:117.0 304:215.0 305:3626.0 306:963.0 307:507.0 308:10.0 309:12.0 310:42.0 313:56.0 314:24.0 315:13.0 316:59.0 317:324.0 318:10424.0 319:2422.0 320:1572.0 321:235.0 322:24.0 323:2.0 325:33.0 326:19.0 327:35.0 328:24.0 329:71.0 330:6.0 331:9.0 332:59.0 337:16.0 339:7.0 341:111.0 342:69.0 343:408.0 344:159.0 345:281.0 346:111.0 347:45.0 353:10.0 356:30.0 362:66.0 363:148.0 364:42.0 365:9.0 367:510.0 368:179.0 369:86.0 370:53.0 371:2.0 373:3.0 374:8.0 375:2.0 379:21.0 381:7.0 384:20.0 385:22.0 386:22.0 392:32.0 393:204.0 394:113.0 395:84.0 397:37.0 398:22.0 399:4.0 400:43.0 401:47.0 402:3.0 404:23.0 406:54.0 407:26.0 408:10.0 410:1.0 412:2.0 413:25.0 414:17.0 416:80.0 417:74.0 418:8.0 419:83.0 422:10.0 425:2.0 427:48.0 429:19.0 430:48.0 431:134.0 432:1644.0 433:1110.0 434:634.0 435:247.0 436:86.0 437:7.0 438:35.0 440:2.0 442:8.0 444:33.0 446:3.0 447:8.0 449:2.0 452:2.0 453:16.0 454:18.0 455:10.0 456:21.0 457:39.0 458:10.0 459:19.0 460:32.0 464:6.0 470:5.0 472:22.0 473:39.0 474:13.0 475:70.0 477:29.0 481:8.0 484:3.0 485:56.0 487:4.0 488:22.0 489:7.0 490:37.0 491:39.0 493:9.0 494:24.0 496:36.0 497:42.0 498:39.0,,119054,ZHMWOVGZCINIHW-FTYOSCRSSA-N,803,1056,595,1021,2072,1453,6330,5726,2624,1336,597,479,2841,461,3240,6906,1483,2478,808,1549
146442,700964,142,146442,85:1019.0 86:2102.0 87:1909.0 88:172.0 90:299.0 97:281.0 98:443.0 99:4253.0 100:24494.0 101:2792.0 103:4213.0 104:1636.0 109:310.0 110:766.0 112:374.0 113:514.0 114:1189.0 115:2143.0 116:2125.0 118:615.0 119:615.0 122:334.0 124:128.0 127:375.0 128:2199.0 129:3109.0 130:5977.0 131:2895.0 132:2556.0 133:5042.0 134:571.0 136:65.0 137:102.0 139:109.0 141:541.0 142:99430.0 143:13615.0 144:7941.0 145:469.0 146:1329.0 147:6521.0 148:344.0 149:1875.0 156:1418.0 157:478.0 158:1624.0 159:798.0 160:526.0 161:335.0 162:90.0 169:529.0 170:192.0 171:2662.0 172:2642.0 173:963.0 174:2034.0 175:616.0 176:1133.0 177:223.0 182:163.0 183:371.0 186:371.0 187:137.0 188:557.0 189:1110.0 192:94.0 198:1709.0 199:1576.0 200:156.0 201:46.0 202:3408.0 203:994.0 204:620.0 206:325.0 212:44.0 213:67.0 214:141.0 215:344.0 216:3098.0 218:10037.0 219:1976.0 220:2604.0 221:370.0 222:194.0 227:158.0 229:75.0 231:397.0 232:265.0 233:138.0 244:279.0 246:853.0 247:276.0 248:217.0 256:65.0 258:168.0 259:538.0 261:170.0 262:486.0 263:184.0 270:79.0 273:546.0 274:257.0 275:275.0 276:155.0 289:12187.0 290:2741.0 291:798.0 292:308.0 301:1685.0 303:291.0 313:31.0 316:524.0 317:257.0 323:46.0 328:41.0 341:37.0 347:120.0 348:46.0 364:108.0 369:49.0 374:72.0 381:32.0 383:47.0 390:42.0 391:271.0 392:58.0 405:77.0 406:584.0 407:272.0 409:52.0 418:25.0 428:26.0 434:23.0 436:33.0 456:47.0 458:36.0 465:30.0 478:31.0,,,,504,1024,348,282,4706,1707,2508,3284,934,800,287,332,9535,22335,21905,15635,16217,11051,46512,26530
146435,1152163,343,146435,85:312.0 86:168.0 87:332.0 88:187.0 89:1126.0 90:209.0 91:8324.0 92:1592.0 93:5314.0 94:892.0 95:5988.0 96:735.0 97:1804.0 98:953.0 99:326.0 101:1350.0 102:380.0 103:936.0 104:95.0 105:6933.0 106:1276.0 107:5480.0 108:792.0 109:2587.0 110:380.0 111:414.0 113:178.0 114:78.0 115:1465.0 116:746.0 117:3407.0 118:993.0 119:4641.0 120:1071.0 121:2569.0 122:810.0 123:1093.0 124:161.0 125:120.0 127:621.0 128:1270.0 129:4091.0 130:993.0 131:3554.0 132:831.0 133:3439.0 134:1266.0 135:1406.0 136:332.0 137:524.0 138:240.0 139:212.0 140:103.0 141:800.0 142:659.0 143:2357.0 144:949.0 145:3620.0 146:956.0 147:3294.0 148:929.0 149:743.0 150:329.0 151:77.0 152:79.0 153:220.0 154:236.0 155:1010.0 156:383.0 157:1314.0 158:738.0 159:2537.0 160:655.0 161:1383.0 162:263.0 163:488.0 164:908.0 165:450.0 166:154.0 167:273.0 168:204.0 169:1137.0 170:237.0 171:1260.0 172:420.0 173:1422.0 174:333.0 175:573.0 176:188.0 177:239.0 178:237.0 179:217.0 180:119.0 181:230.0 182:354.0 183:566.0 184:347.0 185:914.0 186:431.0 187:745.0 188:321.0 189:619.0 190:298.0 191:1380.0 192:212.0 193:586.0 195:397.0 196:372.0 197:574.0 198:257.0 199:718.0 200:311.0 201:759.0 202:560.0 203:570.0 204:2071.0 205:698.0 206:165.0 207:489.0 210:118.0 211:544.0 212:216.0 213:1883.0 214:507.0 215:699.0 216:165.0 217:1188.0 218:153.0 222:127.0 223:58.0 225:287.0 226:196.0 227:772.0 228:678.0 229:487.0 230:153.0 231:197.0 232:70.0 233:168.0 235:128.0 236:67.0 238:39.0 239:319.0 240:111.0 241:215.0 242:62.0 244:117.0 246:69.0 250:88.0 251:175.0 252:93.0 253:2363.0 254:570.0 255:824.0 256:202.0 257:112.0 259:515.0 260:160.0 261:99.0 267:219.0 268:175.0 269:232.0 271:134.0 272:62.0 273:107.0 275:73.0 276:56.0 277:88.0 278:49.0 281:1008.0 282:342.0 283:142.0 285:67.0 286:59.0 287:112.0 288:105.0 289:74.0 290:90.0 291:106.0 292:96.0 293:37.0 294:50.0 295:224.0 296:513.0 297:223.0 298:91.0 299:65.0 300:86.0 302:91.0 303:172.0 304:107.0 305:55.0 307:32.0 308:40.0 309:67.0 310:78.0 311:119.0 312:45.0 313:56.0 314:55.0 315:100.0 317:106.0 318:178.0 319:74.0 320:46.0 321:73.0 322:24.0 325:29.0 327:103.0 328:69.0 329:120.0 330:155.0 331:93.0 332:82.0 334:57.0 337:56.0 338:63.0 339:176.0 340:99.0 341:247.0 342:256.0 343:5231.0 344:2480.0 345:782.0 346:238.0 347:100.0 348:43.0 349:144.0 350:101.0 351:112.0 352:61.0 353:60.0 354:56.0 355:173.0 356:112.0 357:108.0 358:212.0 360:76.0 362:101.0 364:47.0 365:184.0 366:121.0 367:130.0 368:71.0 369:137.0 370:96.0 371:391.0 372:210.0 373:130.0 374:89.0 375:65.0 376:66.0 377:89.0 378:48.0 379:180.0 380:84.0 381:63.0 383:58.0 384:41.0 386:1277.0 387:825.0 388:214.0 389:150.0 391:113.0 392:76.0 393:210.0 394:179.0 395:83.0 396:77.0 397:73.0 398:56.0 399:99.0 400:50.0 401:98.0 402:94.0 403:29.0 406:76.0 408:173.0 409:104.0 410:72.0 412:51.0 413:67.0 414:48.0 417:75.0 420:35.0 422:46.0 423:28.0 424:26.0 426:31.0 428:77.0 434:41.0 435:26.0 437:53.0 440:62.0 441:59.0 442:94.0 444:71.0 445:57.0 446:44.0 449:45.0 451:32.0 454:71.0 455:45.0 456:44.0 458:55.0 459:56.0 461:37.0 464:66.0 467:42.0 469:194.0 470:103.0 471:45.0 474:50.0 476:32.0 477:91.0 479:75.0 480:59.0 483:44.0 484:100.0 485:86.0 487:55.0 488:21.0 489:56.0 491:63.0 492:32.0 493:60.0 495:73.0 496:48.0 500:28.0,,,,1419,1418,573,573,892,3097,2150,915,3946,2466,646,801,744,471,475,4676,840,763,776,682
146433,1137126,233,146433,85:846.0 86:228.0 90:112.0 91:1144.0 92:888.0 93:2784.0 94:547.0 95:3529.0 96:251.0 100:65.0 101:5589.0 102:695.0 103:2376.0 104:652.0 105:3789.0 106:944.0 107:1883.0 109:385.0 112:82.0 113:159.0 114:34.0 115:1357.0 116:1014.0 117:7161.0 119:460.0 121:1629.0 129:1669.0 130:135.0 131:3257.0 132:259.0 133:2737.0 134:965.0 135:1328.0 136:129.0 138:120.0 139:234.0 140:60.0 141:131.0 143:2343.0 144:795.0 145:2140.0 146:459.0 147:11603.0 148:2366.0 149:2604.0 151:238.0 152:156.0 153:37.0 154:39.0 155:46.0 157:1028.0 158:77.0 159:1580.0 161:371.0 162:50.0 163:302.0 167:336.0 168:198.0 169:1251.0 171:1212.0 177:189.0 178:196.0 181:649.0 182:317.0 183:727.0 185:646.0 186:165.0 187:403.0 189:7400.0 190:767.0 191:5663.0 192:924.0 193:1773.0 194:802.0 195:10556.0 196:1352.0 197:946.0 198:225.0 199:571.0 200:171.0 203:367.0 204:628.0 205:472.0 207:949.0 208:455.0 209:750.0 210:211.0 211:503.0 212:43.0 213:346.0 217:3484.0 218:506.0 219:229.0 220:98.0 221:756.0 222:129.0 223:233.0 224:127.0 225:394.0 226:130.0 227:208.0 228:63.0 230:212.0 231:344.0 232:258.0 233:20840.0 234:2943.0 235:1937.0 236:370.0 237:342.0 238:124.0 239:345.0 240:112.0 241:171.0 242:70.0 243:265.0 244:146.0 246:118.0 247:436.0 250:90.0 252:384.0 253:538.0 255:222.0 256:101.0 257:181.0 259:362.0 261:96.0 262:94.0 263:95.0 264:92.0 265:214.0 266:125.0 268:67.0 269:189.0 270:82.0 273:85.0 274:96.0 275:48.0 279:20.0 280:80.0 281:235.0 282:313.0 283:350.0 284:331.0 285:5003.0 286:1152.0 287:608.0 291:124.0 293:266.0 296:85.0 299:107.0 301:124.0 302:92.0 303:74.0 304:66.0 305:431.0 306:233.0 308:45.0 310:75.0 312:46.0 314:39.0 315:64.0 317:100.0 319:37.0 321:58.0 322:62.0 323:118.0 328:84.0 331:75.0 334:35.0 335:153.0 337:99.0 338:78.0 341:207.0 342:162.0 343:135.0 344:63.0 347:84.0 354:53.0 355:122.0 358:64.0 361:233.0 363:97.0 364:47.0 365:62.0 370:66.0 371:123.0 372:58.0 377:30.0 381:49.0 384:146.0 391:77.0 392:36.0 398:39.0 399:80.0 407:47.0 409:72.0 410:52.0 419:55.0 425:38.0 427:50.0 429:76.0 430:88.0 433:88.0 444:21.0 448:39.0 449:26.0 474:145.0 475:179.0 485:33.0 498:64.0,,,,321,435,387,363,1031,1130,751,1834,620,756,1119,415,1082,490,304,406,488,957,735,584
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146259,629600,160,146259,85:1711.0 86:849.0 87:1303.0 88:648.0 89:11180.0 90:713.0 97:117.0 98:359.0 99:184.0 100:2876.0 101:2823.0 103:37743.0 104:3389.0 105:4660.0 109:69.0 111:462.0 113:820.0 114:1269.0 115:1333.0 116:1766.0 117:7438.0 119:430.0 123:54.0 126:462.0 128:538.0 129:4638.0 130:797.0 131:4989.0 132:787.0 133:11370.0 134:1593.0 139:51.0 141:185.0 142:624.0 143:1409.0 144:570.0 145:685.0 147:17296.0 148:2598.0 149:2293.0 151:205.0 157:996.0 158:406.0 159:2965.0 160:23575.0 161:3369.0 162:930.0 163:1186.0 172:447.0 173:829.0 176:165.0 177:93.0 178:74.0 180:69.0 183:57.0 185:86.0 186:280.0 187:317.0 188:603.0 189:3913.0 190:671.0 191:2470.0 192:392.0 193:205.0 197:78.0 200:103.0 201:331.0 202:278.0 203:219.0 204:1246.0 205:3312.0 206:1063.0 207:816.0 208:198.0 209:86.0 215:237.0 216:479.0 217:15336.0 218:3241.0 219:1704.0 220:148.0 221:630.0 227:235.0 230:430.0 231:449.0 233:654.0 235:65.0 239:44.0 242:26.0 247:520.0 249:212.0 250:115.0 256:188.0 260:516.0 262:176.0 265:190.0 269:69.0 274:668.0 275:250.0 277:774.0 278:501.0 279:272.0 280:66.0 287:284.0 288:75.0 291:419.0 303:31.0 305:492.0 306:351.0 307:4500.0 308:1267.0 309:596.0 311:49.0 314:34.0 317:52.0 319:538.0 331:300.0 335:273.0 336:217.0 337:297.0 345:133.0 348:50.0 359:194.0 364:679.0 365:181.0 366:138.0 371:29.0 379:336.0 408:134.0 415:28.0 432:50.0,,,,613,569,274,382,1518,261,182,426,697,630,490,478,731,411,845,2803,880,1159,5926,1570
146256,993772,217,146256,85:8519.0 86:2194.0 87:6515.0 88:3032.0 89:8949.0 90:746.0 91:2947.0 92:456.0 93:1148.0 94:1288.0 95:2360.0 96:1248.0 97:4642.0 98:1572.0 99:8532.0 100:1576.0 101:26631.0 102:5561.0 103:140603.0 104:14436.0 105:8820.0 106:873.0 107:1055.0 108:359.0 109:12399.0 110:1114.0 111:9226.0 112:1585.0 113:10121.0 114:1886.0 115:8137.0 116:15525.0 117:35272.0 118:4412.0 119:8432.0 120:942.0 121:606.0 122:98.0 123:623.0 124:324.0 125:1608.0 126:1072.0 127:6569.0 128:1784.0 129:177231.0 130:22248.0 131:42679.0 132:6647.0 133:55492.0 134:6632.0 135:6771.0 136:848.0 137:931.0 138:393.0 139:3031.0 140:662.0 141:3859.0 142:7393.0 143:32153.0 144:4243.0 145:18846.0 146:2732.0 147:246688.0 148:40216.0 149:33168.0 150:4196.0 151:3630.0 152:919.0 153:6661.0 154:2402.0 155:18572.0 156:4728.0 157:29623.0 158:5999.0 159:5064.0 160:841.0 161:4071.0 162:842.0 163:6996.0 164:1227.0 165:939.0 166:590.0 167:2016.0 168:1014.0 169:47820.0 170:8235.0 171:7455.0 172:967.0 173:7791.0 174:2234.0 175:5491.0 176:954.0 177:7563.0 178:1500.0 179:1535.0 180:487.0 181:2695.0 182:871.0 183:6173.0 184:1089.0 185:2607.0 186:663.0 187:1573.0 188:543.0 189:23712.0 190:12185.0 191:91991.0 192:16645.0 193:8506.0 194:1358.0 195:935.0 196:75.0 197:1150.0 198:652.0 199:3832.0 200:1018.0 201:2060.0 202:1062.0 203:9953.0 204:197761.0 205:47973.0 206:19473.0 207:8014.0 208:1758.0 209:1180.0 211:838.0 212:234.0 213:467.0 214:407.0 215:3607.0 216:1555.0 217:178498.0 218:39968.0 219:19313.0 220:2913.0 221:10365.0 222:2414.0 223:1133.0 224:321.0 225:267.0 226:331.0 227:2705.0 228:856.0 229:4750.0 230:13526.0 231:10314.0 232:4535.0 233:5488.0 234:1893.0 235:730.0 236:300.0 237:284.0 238:152.0 239:1222.0 240:591.0 241:2236.0 242:1904.0 243:44816.0 244:11799.0 245:10358.0 246:8022.0 247:3462.0 248:821.0 249:4915.0 250:1057.0 251:528.0 252:165.0 253:379.0 254:304.0 255:5043.0 256:1296.0 257:4522.0 258:1293.0 259:2948.0 260:1199.0 261:479.0 262:279.0 263:658.0 264:218.0 265:2058.0 266:660.0 267:943.0 268:3132.0 269:1040.0 270:1213.0 271:27798.0 272:6901.0 273:4701.0 274:1237.0 275:2308.0 276:495.0 277:626.0 278:589.0 279:587.0 280:134.0 281:1190.0 283:415.0 284:165.0 285:499.0 286:97.0 287:617.0 288:373.0 289:933.0 290:225.0 291:6687.0 292:2329.0 293:3503.0 294:917.0 295:557.0 296:291.0 297:145.0 298:177.0 299:1669.0 300:595.0 301:526.0 302:256.0 303:438.0 304:1437.0 305:14503.0 306:6859.0 307:3074.0 308:906.0 309:392.0 310:119.0 311:228.0 313:396.0 315:340.0 316:385.0 317:4206.0 318:4530.0 319:5811.0 320:1713.0 321:830.0 322:289.0 323:150.0 324:60.0 327:250.0 329:307.0 330:248.0 331:4068.0 332:5068.0 333:2446.0 334:979.0 335:447.0 340:55.0 341:702.0 342:951.0 343:25666.0 344:10208.0 345:9686.0 346:2764.0 347:1613.0 348:350.0 349:265.0 350:190.0 352:104.0 354:140.0 357:176.0 358:166.0 359:744.0 360:1187.0 361:23417.0 362:9195.0 363:4233.0 364:894.0 365:416.0 366:56.0 367:286.0 368:198.0 369:179.0 371:237.0 374:303.0 375:619.0 376:279.0 377:320.0 378:88.0 379:410.0 380:78.0 381:126.0 383:90.0 385:166.0 387:112.0 389:3537.0 390:1588.0 391:839.0 392:221.0 393:116.0 395:77.0 406:129.0 409:136.0 411:72.0 417:196.0 419:246.0 420:97.0 421:165.0 423:113.0 425:84.0 432:1986.0 433:27287.0 434:20004.0 435:12948.0 436:5046.0 437:1595.0 438:380.0 450:173.0 451:328.0 452:322.0 453:212.0 455:121.0 456:137.0 457:123.0 462:148.0 463:161.0 465:198.0 466:186.0 467:204.0 468:156.0 469:42.0 478:3222.0 479:30611.0 480:19849.0 481:9552.0 482:3270.0 483:765.0 484:147.0 485:133.0 491:115.0 492:236.0 493:151.0 494:86.0,,,,910,1861,692,927,1615,2593,2002,2081,2324,1567,527,609,1264,782,3758,78132,1019,1154,4581,7538
146255,1094956,318,146255,85:677.0 86:77.0 87:299.0 88:97.0 89:5013.0 90:344.0 94:179.0 96:803.0 97:444.0 98:459.0 99:201.0 100:399.0 101:2464.0 102:661.0 103:9457.0 104:630.0 105:1009.0 108:218.0 109:250.0 110:1619.0 111:467.0 113:504.0 114:453.0 116:871.0 117:5446.0 118:633.0 124:123.0 125:38.0 126:499.0 128:377.0 129:4107.0 130:757.0 131:1443.0 132:365.0 133:5326.0 138:405.0 140:187.0 141:294.0 142:1793.0 143:1964.0 144:61.0 145:665.0 146:148.0 147:10860.0 148:1367.0 149:858.0 152:201.0 154:216.0 155:632.0 156:897.0 157:835.0 158:303.0 160:2358.0 161:484.0 163:242.0 167:115.0 168:878.0 169:1737.0 170:433.0 172:315.0 173:309.0 174:175.0 175:104.0 180:276.0 182:155.0 184:302.0 189:872.0 191:1933.0 192:276.0 196:159.0 197:276.0 198:175.0 202:4098.0 203:722.0 204:7037.0 205:3326.0 206:1081.0 210:273.0 212:102.0 215:214.0 216:271.0 217:4719.0 218:759.0 219:132.0 220:164.0 228:7442.0 229:1275.0 230:1180.0 231:834.0 233:216.0 234:171.0 242:236.0 243:771.0 244:376.0 245:373.0 246:252.0 256:48.0 257:172.0 258:196.0 259:339.0 261:34.0 262:141.0 263:232.0 269:263.0 271:694.0 272:118.0 273:223.0 274:73.0 276:155.0 278:64.0 289:165.0 300:244.0 304:43.0 307:79.0 313:111.0 317:222.0 318:13881.0 319:4303.0 320:1130.0 321:218.0 344:40.0 429:41.0 480:214.0,,,,290,274,326,244,1370,532,672,650,622,867,400,361,12862,8156,15328,31947,10411,14889,23491,18074
146254,686515,318,146254,88:422.0 91:237.0 101:1149.0 102:683.0 105:123.0 109:138.0 114:186.0 115:1150.0 116:308.0 117:639.0 121:93.0 122:105.0 127:539.0 130:735.0 131:553.0 133:409.0 134:248.0 140:151.0 141:161.0 143:463.0 146:472.0 147:1266.0 152:565.0 156:797.0 157:500.0 170:424.0 172:602.0 173:33.0 182:189.0 185:128.0 186:1022.0 198:82.0 201:522.0 202:1344.0 203:156.0 204:845.0 214:88.0 215:5749.0 216:3814.0 217:917.0 218:167.0 219:362.0 230:206.0 231:92.0 235:52.0 242:325.0 244:428.0 246:886.0 247:78.0 258:131.0 260:128.0 274:359.0 288:188.0 289:128.0 290:174.0 317:193.0 318:6037.0 319:1757.0 320:627.0 332:1430.0 333:1774.0 334:160.0 335:182.0,,,,1023,1955,1230,1643,3320,612,5317,2729,4614,1396,255,453,207,208,225,5369,213,228,176,167
146248,1257879,157,146248,85:703.0 87:318.0 88:119.0 89:919.0 90:237.0 91:6779.0 92:927.0 93:7525.0 94:1295.0 95:6908.0 96:599.0 97:838.0 99:409.0 101:2386.0 102:455.0 103:9542.0 104:1164.0 105:8793.0 106:1461.0 107:6479.0 108:1087.0 109:3480.0 110:161.0 111:268.0 113:259.0 114:123.0 115:1997.0 116:932.0 117:7472.0 118:1625.0 119:7794.0 120:1570.0 121:4831.0 122:837.0 123:1141.0 124:212.0 125:173.0 127:697.0 128:695.0 129:3527.0 130:929.0 131:4873.0 132:1645.0 133:6323.0 134:1858.0 135:2393.0 136:279.0 137:255.0 139:221.0 141:646.0 142:551.0 143:2866.0 144:789.0 145:4629.0 146:1962.0 147:8422.0 148:3070.0 149:2049.0 150:285.0 151:114.0 152:154.0 153:184.0 155:673.0 156:1973.0 157:14151.0 158:2398.0 159:3785.0 160:1565.0 161:2532.0 162:1066.0 163:913.0 167:112.0 168:155.0 169:1218.0 170:420.0 171:4050.0 172:528.0 173:2740.0 174:1369.0 175:3517.0 176:1283.0 177:592.0 178:199.0 179:127.0 181:289.0 182:252.0 183:529.0 184:675.0 185:626.0 186:490.0 187:2492.0 188:5984.0 189:2296.0 190:551.0 191:699.0 193:484.0 195:430.0 196:264.0 197:647.0 198:197.0 199:490.0 200:369.0 201:2202.0 202:734.0 203:1357.0 204:280.0 208:364.0 209:698.0 210:203.0 211:700.0 213:372.0 214:226.0 215:542.0 216:864.0 217:474.0 218:80.0 219:119.0 221:355.0 222:176.0 223:465.0 225:188.0 226:139.0 227:85.0 229:184.0 231:302.0 232:143.0 235:152.0 237:433.0 238:136.0 239:137.0 241:47.0 243:107.0 244:146.0 245:100.0 247:116.0 248:121.0 249:130.0 250:341.0 251:314.0 252:36.0 256:105.0 261:77.0 263:261.0 264:134.0 270:51.0 273:41.0 275:116.0 276:101.0 277:600.0 278:1961.0 279:624.0 280:248.0 284:82.0 286:36.0 289:92.0 290:194.0 291:10041.0 292:3983.0 293:1212.0 294:295.0 295:95.0 301:107.0 304:92.0 305:156.0 306:9287.0 307:2697.0 308:727.0 312:67.0 316:42.0 319:49.0 321:43.0 333:35.0 345:218.0 346:131.0 357:47.0 365:51.0 367:94.0 368:468.0 369:232.0 374:36.0 391:105.0 392:111.0 430:73.0 472:40.0 481:171.0 482:113.0,,,,1198,1327,1288,3756,23173,5969,8488,3874,5445,3695,4025,5550,337,220,222,261,239,281,208,223
146245,390779,116,146245,85:242.0 88:114.0 95:58.0 97:168.0 99:1450.0 100:655.0 101:3627.0 102:474.0 103:480.0 105:363.0 106:104.0 115:1204.0 116:10266.0 117:1788.0 118:267.0 119:579.0 120:54.0 124:38.0 131:2319.0 132:290.0 133:6833.0 134:2025.0 135:616.0 137:90.0 141:562.0 144:44.0 145:684.0 147:18517.0 148:2350.0 149:2793.0 150:241.0 151:206.0 152:122.0 157:23.0 163:329.0 164:173.0 169:109.0 171:162.0 172:77.0 175:707.0 183:221.0 189:238.0 191:274.0 203:87.0 205:79.0 207:109.0 214:62.0 215:67.0 217:608.0 218:211.0 221:3186.0 222:616.0 223:434.0 226:20.0 233:2151.0 234:42.0 235:100.0 237:237.0 243:82.0 248:108.0 264:52.0 278:40.0 279:71.0 283:71.0 306:1654.0 307:1521.0 308:816.0 309:127.0 310:126.0 325:95.0 335:701.0 336:268.0 355:57.0 377:69.0 380:34.0 441:60.0 446:69.0 453:47.0 456:49.0 466:66.0 475:50.0 487:23.0,,,,2361,5082,1923,1989,8072,4714,7241,4385,11098,6097,1714,1305,2000,1184,2124,16910,2014,1930,5238,1916
146242,540008,171,146242,85:498.0 87:190.0 88:102.0 89:1046.0 90:144.0 92:100.0 94:74.0 95:1850.0 96:243.0 97:192.0 99:411.0 101:5650.0 102:283.0 103:4106.0 110:132.0 111:166.0 115:595.0 116:4454.0 117:4571.0 118:634.0 119:396.0 125:36.0 129:1819.0 130:381.0 131:855.0 132:246.0 133:2529.0 135:199.0 138:33.0 143:3881.0 144:299.0 145:804.0 146:67.0 147:4611.0 149:762.0 151:121.0 155:52.0 156:778.0 157:366.0 158:152.0 159:128.0 169:868.0 170:62.0 171:7873.0 172:898.0 173:347.0 175:188.0 176:78.0 184:450.0 185:649.0 192:131.0 193:199.0 203:218.0 204:586.0 205:365.0 231:202.0 234:61.0 243:266.0 244:73.0 246:230.0 247:84.0 248:49.0 259:168.0 261:1044.0 262:245.0 263:58.0 318:64.0 319:34.0 326:28.0 335:132.0 337:41.0 354:45.0 416:31.0 456:32.0 472:23.0 495:21.0,,,,226,306,235,287,837,1047,1143,637,550,476,383,218,781,475,1471,7029,2529,1513,973,644
146236,486696,160,146236,89:710.0 90:251.0 95:327.0 97:896.0 98:578.0 99:1525.0 100:16166.0 101:4382.0 102:2394.0 103:1491.0 110:1135.0 113:649.0 114:863.0 115:807.0 116:15510.0 117:19300.0 118:2301.0 119:644.0 121:190.0 126:399.0 127:56.0 128:326.0 129:1604.0 131:2740.0 132:772.0 133:1429.0 134:883.0 135:242.0 139:223.0 142:1521.0 143:461.0 144:8496.0 145:1074.0 146:497.0 147:12174.0 148:3788.0 149:424.0 150:374.0 153:129.0 155:448.0 158:6100.0 159:477.0 160:25633.0 161:2618.0 162:682.0 166:119.0 167:42.0 169:359.0 170:80.0 171:436.0 173:5789.0 174:5337.0 176:358.0 177:110.0 181:85.0 185:413.0 188:21.0 189:694.0 194:40.0 196:111.0 198:51.0 200:220.0 214:306.0 216:2794.0 217:930.0 226:106.0 228:143.0 240:292.0 242:98.0 244:39.0 246:199.0 255:148.0 257:74.0 261:105.0 278:67.0 279:35.0 286:12.0 289:114.0 291:84.0 296:70.0 297:57.0 303:71.0 309:85.0 311:89.0 313:102.0 314:84.0 319:12.0 320:78.0 324:57.0 326:12.0 329:37.0 330:78.0 332:40.0 340:39.0 344:75.0 347:14.0 352:85.0 353:111.0 362:14.0 364:69.0 366:20.0 367:29.0 368:99.0 371:39.0 379:52.0 383:79.0 384:84.0 393:17.0 395:73.0 400:103.0 410:82.0 416:23.0 426:29.0 430:55.0 431:37.0 444:11.0 450:73.0 454:96.0 456:20.0 458:93.0 463:113.0 468:39.0 472:90.0 485:45.0 497:36.0,,,,3286,2030,3047,1236,2272,1329,14212,6449,1265,1712,1080,2971,1784,1391,1189,1832,848,1911,2514,1018
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126342,191304,116,126342,85:398.0 86:495.0 87:569.0 88:3085.0 89:755.0 90:131.0 91:355.0 92:8.0 93:25.0 94:7.0 95:123.0 96:237.0 98:431.0 99:234.0 100:3260.0 101:313.0 102:120.0 103:83.0 104:1.0 106:17.0 107:10.0 109:29.0 110:91.0 111:314.0 112:8.0 113:162.0 114:161.0 115:48.0 116:5195.0 117:723.0 118:207.0 125:200.0 129:303.0 130:63.0 131:2.0 133:96.0 135:9.0 139:51.0 141:4.0 143:231.0 144:3706.0 145:396.0 146:92.0 147:158.0 148:14.0 154:112.0 155:5.0 157:5.0 158:9.0 159:197.0 160:6.0 163:21.0 164:3.0 182:2.0 184:7.0 191:41.0 195:11.0 197:11.0 201:1.0 207:2.0 220:14.0 227:1.0 230:3.0 231:6.0 233:2.0 237:2.0 242:3.0 248:1.0 262:3.0 266:3.0 275:1.0 277:2.0 279:2.0 284:1.0 289:3.0 293:2.0 294:2.0 309:2.0 311:2.0 322:1.0 323:6.0 329:1.0 334:1.0 340:1.0 344:2.0 356:2.0 357:2.0 360:2.0 368:2.0 369:11.0 376:7.0 377:2.0 389:2.0 391:5.0 393:5.0 394:1.0 396:3.0 399:2.0 412:1.0 422:4.0 423:1.0 431:4.0 436:3.0 438:4.0 448:3.0 450:3.0 452:6.0 456:3.0 461:3.0 464:1.0 466:2.0 474:2.0 475:3.0 479:1.0 488:1.0 496:6.0 497:3.0 500:14.0,,,,849,1308,665,680,3630,2576,3448,3060,2005,2085,822,792,863,1092,1139,1319,636,577,905,764
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125943,594354,160,125943,85:333.0 86:151.0 89:882.0 90:29.0 91:35.0 93:20.0 94:20.0 98:32.0 99:192.0 100:91.0 101:289.0 102:33.0 103:751.0 104:69.0 105:405.0 108:42.0 111:76.0 113:141.0 114:222.0 115:48.0 119:58.0 125:13.0 127:118.0 128:36.0 129:477.0 130:134.0 131:286.0 132:37.0 133:568.0 135:37.0 137:25.0 140:37.0 141:67.0 142:47.0 143:95.0 145:102.0 147:1805.0 148:213.0 149:277.0 150:30.0 154:29.0 156:77.0 157:49.0 160:5725.0 161:603.0 162:198.0 168:34.0 170:16.0 172:70.0 173:23.0 177:20.0 180:42.0 183:36.0 186:1457.0 187:174.0 188:67.0 189:125.0 191:191.0 203:31.0 204:64.0 205:109.0 206:46.0 214:13.0 219:38.0 243:14.0 244:42.0 245:25.0 256:19.0 270:32.0 276:858.0 277:196.0 278:13.0 291:23.0 292:66.0 318:16.0 324:22.0 330:13.0 333:13.0 334:12.0 346:16.0 370:17.0 383:18.0 462:19.0 490:11.0,,,,536,793,465,438,2560,11122,2753,2273,1037,795,450,818,267,350,253,408,223,261,363,219
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117024,417882,255,117024,85:80.0 87:1003.0 88:510.0 89:167.0 93:76.0 95:66.0 99:247.0 100:69.0 101:1662.0 102:218.0 103:705.0 105:218.0 115:329.0 116:325.0 117:1079.0 119:72.0 122:85.0 123:81.0 124:18.0 129:23.0 131:250.0 133:1456.0 134:255.0 137:29.0 138:30.0 147:5905.0 148:1109.0 149:416.0 150:45.0 152:23.0 153:41.0 154:15.0 156:30.0 169:34.0 180:19.0 196:17.0 255:3707.0 256:656.0 257:428.0 258:65.0 332:15.0 334:15.0 343:12.0,,,,1507,869,7678,2813,7637,4680,7501,322,14667,4623,610,598,3762,390,1554,4690,344,2662,1821,766
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103148,1029376,219,103148,88:95.0 99:26.0 102:176.0 113:23.0 129:54.0 130:42.0 133:81.0 142:17.0 143:184.0 147:889.0 148:100.0 162:14.0 183:17.0 189:78.0 191:110.0 192:53.0 203:94.0 204:99.0 217:347.0 219:4271.0 220:569.0 221:90.0 239:23.0 245:30.0 261:13.0 292:24.0 293:122.0 294:15.0 304:24.0 306:19.0 313:21.0 321:18.0 326:54.0 333:71.0 383:24.0 463:16.0 481:20.0 492:20.0 499:22.0,,,,304,362,191,233,234,409,574,301,208,226,332,215,401,478,4997,29760,2411,4872,6639,3179
103131,852131,105,103131,86:37.0 87:48.0 91:35.0 92:53.0 96:44.0 99:67.0 102:166.0 104:35.0 105:9845.0 106:488.0 107:53.0 109:29.0 110:23.0 111:26.0 112:9.0 113:49.0 115:32.0 116:30.0 118:46.0 120:45.0 122:47.0 127:114.0 129:133.0 130:38.0 131:350.0 132:45.0 133:373.0 134:83.0 135:335.0 136:64.0 139:29.0 140:29.0 141:36.0 142:20.0 143:216.0 144:53.0 145:27.0 147:2127.0 148:240.0 149:191.0 151:23.0 154:35.0 155:26.0 156:26.0 157:61.0 159:177.0 160:44.0 163:21.0 166:40.0 167:21.0 169:50.0 170:22.0 171:36.0 173:34.0 174:22.0 179:822.0 180:102.0 181:68.0 186:30.0 187:41.0 189:122.0 193:45.0 194:51.0 196:18.0 201:37.0 203:351.0 204:280.0 211:18.0 213:45.0 215:25.0 216:37.0 217:394.0 218:95.0 219:118.0 220:43.0 221:103.0 223:26.0 225:23.0 229:68.0 230:37.0 231:99.0 232:33.0 233:47.0 235:22.0 236:13.0 239:21.0 240:53.0 243:23.0 244:73.0 245:95.0 246:24.0 248:16.0 250:40.0 252:38.0 257:16.0 260:25.0 261:22.0 266:31.0 269:47.0 271:39.0 272:27.0 274:22.0 275:19.0 276:9.0 277:74.0 278:48.0 279:37.0 280:32.0 282:21.0 283:14.0 285:48.0 286:25.0 289:30.0 292:162.0 293:71.0 300:27.0 301:38.0 303:33.0 304:39.0 305:80.0 306:27.0 307:43.0 308:25.0 309:33.0 310:35.0 311:38.0 314:25.0 316:30.0 317:29.0 319:32.0 320:34.0 321:130.0 322:66.0 324:9.0 327:13.0 329:27.0 330:30.0 331:61.0 333:93.0 334:37.0 335:22.0 336:16.0 337:20.0 338:24.0 340:15.0 341:25.0 343:29.0 345:49.0 346:24.0 347:35.0 348:46.0 352:19.0 353:40.0 354:35.0 355:23.0 356:23.0 357:36.0 358:18.0 359:26.0 363:46.0 364:28.0 365:383.0 366:147.0 367:77.0 368:46.0 369:36.0 370:26.0 373:59.0 374:46.0 375:36.0 376:35.0 377:88.0 378:65.0 379:47.0 380:36.0 381:39.0 384:19.0 386:34.0 387:16.0 388:22.0 389:37.0 391:36.0 393:45.0 394:37.0 397:26.0 404:29.0 405:37.0 406:25.0 407:38.0 408:18.0 410:20.0 411:31.0 412:44.0 413:17.0 414:27.0 415:17.0 416:30.0 418:22.0 419:37.0 421:26.0 423:18.0 424:21.0 426:31.0 428:23.0 431:25.0 432:18.0 434:28.0 436:38.0 440:27.0 441:39.0 442:22.0 443:46.0 444:18.0 445:38.0 447:73.0 448:64.0 449:31.0 451:37.0 452:15.0 453:21.0 454:58.0 455:191.0 456:112.0 457:83.0 458:30.0 459:17.0 462:26.0 465:43.0 467:34.0 468:54.0 469:51.0 470:21.0 471:31.0 472:34.0 473:24.0 474:46.0 475:34.0 477:24.0 480:34.0 482:20.0 483:19.0 484:13.0 488:42.0 489:33.0 490:25.0 491:31.0 492:30.0 493:20.0 495:36.0 497:24.0 498:17.0 499:41.0 500:14.0,,,,442,593,264,282,2787,2918,5910,2634,1842,774,284,385,4112,2959,4836,24935,3458,4570,9158,4081
103127,870636,105,103127,85:83.0 87:48.0 89:38.0 95:76.0 101:32.0 102:163.0 103:196.0 104:72.0 105:18848.0 106:1316.0 111:50.0 115:124.0 119:41.0 129:456.0 130:123.0 131:280.0 133:644.0 134:95.0 135:426.0 142:36.0 143:851.0 145:58.0 147:3383.0 148:449.0 149:391.0 169:55.0 171:248.0 175:61.0 177:43.0 179:849.0 180:66.0 185:39.0 188:39.0 189:622.0 190:132.0 191:147.0 215:25.0 217:420.0 218:66.0 219:74.0 221:136.0 245:128.0 255:20.0 257:47.0 258:39.0 259:89.0 261:52.0 263:239.0 267:52.0 286:125.0 287:688.0 288:105.0 289:47.0 290:18.0 292:380.0 293:35.0 295:60.0 305:166.0 333:696.0 334:189.0 335:102.0 377:29.0 388:12.0 389:25.0 406:15.0 408:40.0 409:76.0 410:37.0 422:21.0,,,,504,491,440,487,608,5868,17381,908,1317,550,4047,2433,3054,2846,5550,32506,4283,4313,11339,4498
103102,373630,117,103102,85:170.0 86:454.0 87:71.0 88:270.0 89:233.0 91:379.0 93:134.0 94:39.0 95:611.0 96:448.0 101:493.0 105:429.0 106:76.0 107:758.0 108:38.0 113:39.0 115:182.0 116:906.0 117:16696.0 118:1334.0 119:552.0 124:148.0 125:28.0 128:33.0 129:4186.0 130:401.0 131:4101.0 132:2979.0 133:842.0 143:19.0 145:3295.0 146:466.0 147:86.0 150:17.0 155:313.0 157:275.0 168:42.0 169:27.0 172:63.0 199:6183.0 200:657.0 201:214.0 240:173.0 241:37.0 255:22.0,,,,26494,26912,25721,23006,26250,22883,11350,29163,21884,25507,22330,26357,28885,18029,24490,26861,36263,28261,25441,23116
102904,646596,219,102904,85:523.0 86:373.0 87:749.0 89:2580.0 90:258.0 91:140.0 94:39.0 95:263.0 96:86.0 97:1426.0 98:129.0 99:657.0 101:1864.0 102:887.0 103:15774.0 104:1627.0 105:473.0 106:53.0 109:28.0 111:512.0 112:127.0 113:419.0 115:791.0 116:560.0 117:5931.0 118:722.0 119:767.0 120:86.0 125:156.0 127:330.0 129:6785.0 130:990.0 131:2618.0 133:7906.0 134:1037.0 135:836.0 136:20.0 140:60.0 142:279.0 143:2136.0 144:315.0 145:401.0 146:87.0 147:24044.0 148:3693.0 149:1996.0 151:206.0 153:588.0 154:72.0 155:538.0 156:259.0 157:1230.0 158:371.0 159:134.0 161:324.0 163:86.0 169:703.0 170:119.0 171:493.0 172:259.0 173:188.0 177:430.0 184:141.0 186:125.0 187:95.0 189:5234.0 190:965.0 191:938.0 193:441.0 194:57.0 197:278.0 199:27.0 201:424.0 202:52.0 203:452.0 205:3829.0 206:690.0 207:595.0 214:28.0 215:228.0 216:265.0 217:21011.0 218:3602.0 219:3435.0 220:312.0 221:587.0 222:22.0 227:257.0 229:285.0 230:587.0 231:415.0 232:95.0 233:182.0 237:46.0 238:34.0 241:74.0 243:1058.0 244:629.0 245:591.0 246:394.0 253:19.0 256:59.0 257:38.0 259:104.0 260:42.0 262:29.0 266:97.0 267:56.0 271:496.0 274:107.0 276:48.0 277:153.0 278:46.0 280:18.0 281:41.0 286:52.0 287:16.0 291:121.0 292:290.0 294:49.0 296:16.0 304:59.0 305:1143.0 306:239.0 307:258.0 317:97.0 318:33.0 319:648.0 321:69.0 330:48.0 331:76.0 332:36.0 333:557.0 334:675.0 335:518.0 336:199.0 337:7.0 348:245.0 349:469.0 350:192.0 351:75.0 352:28.0 353:21.0 355:23.0 357:41.0 358:28.0 360:27.0 361:363.0 362:140.0 363:76.0 364:55.0 368:45.0 385:20.0 392:21.0 393:22.0 394:45.0 403:21.0 405:23.0 406:33.0 408:17.0 413:21.0 420:27.0 423:22.0 426:25.0 428:15.0 429:25.0 433:26.0 441:11.0 451:41.0 452:45.0 453:31.0 462:11.0 466:137.0 467:41.0 468:65.0 479:25.0 485:16.0 490:24.0,,,,778,1062,577,899,8698,1747,8454,8736,4044,2564,482,668,1942,634,1504,6038,1173,1459,4363,1025
102848,483847,217,102848,88:261.0 89:340.0 90:51.0 93:36.0 95:168.0 96:51.0 102:277.0 103:5672.0 104:527.0 106:74.0 109:62.0 111:21.0 115:562.0 116:200.0 117:1146.0 118:327.0 119:72.0 120:65.0 123:47.0 125:51.0 127:157.0 129:824.0 131:1354.0 132:150.0 133:1902.0 134:321.0 135:103.0 136:66.0 137:35.0 138:62.0 139:50.0 142:78.0 143:1159.0 144:38.0 145:141.0 146:13.0 147:5820.0 149:928.0 150:338.0 151:183.0 153:24.0 157:559.0 159:596.0 160:89.0 161:41.0 162:53.0 164:22.0 165:19.0 166:34.0 167:27.0 173:75.0 177:485.0 178:139.0 179:77.0 180:41.0 182:18.0 183:18.0 186:32.0 187:172.0 189:521.0 190:243.0 191:787.0 192:198.0 193:109.0 194:8.0 196:49.0 201:53.0 202:51.0 204:80.0 205:243.0 206:54.0 207:163.0 208:78.0 214:40.0 215:86.0 216:83.0 217:4133.0 218:301.0 219:419.0 220:64.0 221:203.0 222:95.0 223:35.0 224:36.0 225:17.0 233:136.0 234:125.0 235:51.0 236:12.0 237:43.0 238:20.0 240:15.0 241:41.0 242:29.0 243:19.0 245:42.0 246:27.0 248:42.0 250:46.0 254:17.0 255:14.0 258:25.0 262:37.0 263:16.0 264:31.0 265:41.0 269:16.0 271:19.0 272:16.0 273:21.0 274:23.0 275:144.0 276:104.0 277:109.0 278:168.0 279:111.0 280:17.0 281:40.0 282:39.0 284:20.0 285:24.0 286:45.0 288:37.0 289:46.0 290:70.0 291:186.0 292:79.0 294:37.0 295:50.0 296:35.0 298:52.0 299:45.0 300:57.0 301:54.0 302:39.0 306:214.0 307:388.0 308:15.0 309:69.0 311:39.0 312:25.0 313:17.0 314:13.0 315:27.0 316:53.0 317:16.0 318:12.0 319:80.0 320:52.0 321:8.0 322:36.0 326:13.0 327:20.0 329:76.0 330:47.0 331:32.0 332:61.0 334:33.0 335:57.0 336:13.0 337:21.0 338:49.0 341:41.0 342:52.0 343:49.0 346:56.0 347:37.0 349:27.0 350:53.0 353:36.0 354:52.0 355:42.0 357:56.0 358:35.0 359:42.0 360:49.0 361:26.0 362:21.0 364:7.0 365:35.0 367:27.0 369:30.0 370:43.0 371:36.0 373:52.0 375:73.0 377:45.0 378:31.0 381:16.0 382:59.0 383:32.0 384:36.0 385:50.0 386:45.0 387:24.0 388:53.0 389:30.0 390:44.0 391:29.0 392:15.0 393:48.0 394:44.0 395:50.0 396:42.0 399:28.0 400:21.0 401:31.0 402:34.0 405:45.0 407:40.0 408:22.0 409:101.0 410:68.0 411:59.0 413:27.0 415:28.0 416:43.0 417:11.0 418:45.0 419:20.0 421:54.0 423:53.0 425:37.0 427:58.0 428:22.0 430:24.0 431:59.0 434:32.0 436:36.0 439:34.0 445:5.0 448:33.0 449:40.0 453:32.0 454:16.0 456:24.0 457:27.0 458:28.0 460:41.0 462:72.0 467:30.0 472:41.0 479:24.0 481:41.0 488:11.0 490:38.0 491:29.0 494:23.0 495:23.0 497:20.0 500:40.0,,,,328,288,255,265,524,499,609,601,590,622,239,430,1694,1362,1901,13727,974,1264,3959,1802
102749,436266,147,102749,85:2569.0 86:298.0 87:1311.0 88:142.0 89:446.0 90:77.0 91:142.0 92:66.0 97:49.0 98:173.0 99:3176.0 100:425.0 101:823.0 102:291.0 103:1334.0 104:184.0 105:311.0 107:58.0 113:90.0 115:669.0 116:241.0 117:1153.0 118:165.0 119:235.0 120:35.0 123:149.0 126:49.0 127:188.0 129:293.0 130:196.0 131:1603.0 132:223.0 133:2068.0 134:392.0 135:221.0 142:67.0 143:1605.0 144:204.0 145:87.0 146:55.0 147:39254.0 148:6130.0 149:3292.0 150:322.0 151:72.0 157:53.0 159:1313.0 160:190.0 161:129.0 162:81.0 163:84.0 169:20.0 171:114.0 173:72.0 175:23.0 182:17.0 183:28.0 189:223.0 190:34.0 191:57.0 192:23.0 204:30.0 205:305.0 206:82.0 215:97.0 217:986.0 218:245.0 219:137.0 220:37.0 231:116.0 232:38.0 233:34.0 236:37.0 242:19.0 245:100.0 246:30.0 249:15.0 256:43.0 258:28.0 261:1058.0 262:233.0 263:70.0 266:19.0 289:36.0 306:22.0 310:12.0 313:18.0 314:17.0 317:25.0 327:26.0 328:31.0 330:24.0 331:19.0 339:22.0 340:34.0 341:31.0 342:22.0 352:23.0 353:31.0 354:24.0 355:41.0 358:20.0 365:34.0 385:12.0 392:19.0 421:22.0 425:18.0 432:22.0 434:12.0 435:35.0 441:22.0 444:23.0 450:33.0 452:27.0 464:21.0 467:19.0 470:18.0 473:18.0 475:20.0 476:33.0 478:14.0 480:21.0 492:33.0 494:13.0 496:30.0 497:12.0 500:25.0,,,,6598,6357,5694,6857,9287,9249,13106,11362,14168,7751,4937,3021,2377,3412,940,10369,3428,1793,4186,3245
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18266,426098,269,18266,85:126.0 86:374.0 89:37.0 92:26.0 97:100.0 98:458.0 99:78.0 100:691.0 101:14.0 102:44.0 111:54.0 112:204.0 113:184.0 114:137.0 115:32.0 120:809.0 122:11.0 124:45.0 125:1.0 126:109.0 127:41.0 131:81.0 134:72.0 138:2.0 140:54.0 141:16.0 142:70.0 143:39.0 147:268.0 148:13.0 153:84.0 154:489.0 155:209.0 156:54.0 157:16.0 158:74.0 163:6.0 167:24.0 168:13.0 170:75.0 171:12.0 174:26.0 179:8.0 180:16.0 181:292.0 182:61.0 183:59.0 184:15.0 186:3.0 195:99.0 196:165.0 197:142.0 198:61.0 203:8.0 223:12.0 224:10.0 227:176.0 228:18.0 238:24.0 239:671.0 240:158.0 241:139.0 253:205.0 254:73.0 255:1513.0 256:443.0 257:144.0 258:4.0 267:12.0 268:9.0 269:1694.0 270:1839.0 271:475.0 272:145.0 302:3.0 305:10.0 332:8.0 338:2.0 346:1.0 349:33.0 351:7.0 372:6.0 375:5.0 390:1.0 392:4.0 396:4.0 398:7.0 404:1.0 406:1.0 410:22.0 413:17.0 419:1.0 426:6.0 427:15.0 429:37.0 433:7.0 437:1.0 442:11.0 447:7.0 458:1.0 466:2.0 468:8.0 471:15.0 483:1.0 487:6.0,,,,289,735,273,396,1952,1259,1050,1541,1156,833,384,375,319,305,491,6553,353,513,1583,323
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14724,683098,217,14724,86:10.0 87:31.0 88:2.0 89:101.0 90:8.0 91:1.0 92:5.0 96:7.0 97:5.0 98:6.0 99:1.0 100:5.0 101:50.0 103:1757.0 104:107.0 105:29.0 107:8.0 110:7.0 116:15.0 117:302.0 118:12.0 119:3.0 122:5.0 123:2.0 124:1.0 127:23.0 129:153.0 130:50.0 131:117.0 132:2.0 133:217.0 134:37.0 135:10.0 141:5.0 142:8.0 143:95.0 144:1.0 145:9.0 147:1545.0 148:187.0 149:116.0 150:4.0 152:1.0 153:2.0 154:9.0 155:1.0 156:7.0 158:16.0 159:5.0 160:5.0 161:7.0 163:12.0 164:3.0 168:10.0 169:21.0 170:6.0 171:3.0 175:12.0 177:9.0 178:1.0 184:7.0 185:1.0 189:169.0 190:27.0 191:102.0 192:8.0 193:1.0 194:2.0 195:7.0 196:2.0 197:9.0 198:1.0 201:3.0 203:6.0 204:47.0 205:142.0 206:10.0 207:39.0 208:14.0 212:3.0 214:8.0 217:1454.0 218:237.0 219:85.0 221:44.0 222:16.0 223:19.0 226:6.0 231:7.0 234:1.0 235:2.0 238:6.0 240:3.0 241:4.0 243:6.0 244:2.0 245:35.0 246:5.0 248:1.0 251:5.0 257:7.0 258:4.0 261:3.0 264:2.0 266:4.0 269:1.0 272:2.0 274:7.0 275:2.0 277:46.0 278:19.0 279:6.0 280:2.0 288:1.0 289:9.0 291:3.0 292:11.0 296:1.0 303:4.0 305:28.0 306:19.0 307:143.0 308:35.0 309:8.0 310:2.0 311:9.0 313:2.0 316:12.0 318:3.0 319:4.0 322:5.0 325:2.0 326:1.0 329:3.0 331:10.0 333:75.0 334:30.0 335:15.0 336:4.0 339:1.0 343:3.0 346:3.0 349:5.0 352:2.0 353:3.0 354:1.0 360:3.0 364:4.0 368:7.0 375:1.0 379:15.0 380:8.0 390:1.0 393:17.0 394:131.0 395:56.0 396:21.0 397:5.0 401:9.0 402:1.0 405:8.0 406:5.0 407:3.0 408:3.0 409:3.0 411:13.0 412:1.0 415:2.0 417:2.0 418:4.0 419:3.0 424:2.0 425:1.0 427:1.0 430:1.0 432:6.0 433:11.0 434:1.0 435:3.0 436:5.0 437:6.0 440:2.0 443:6.0 445:3.0 455:6.0 467:3.0 470:2.0 473:8.0 476:5.0 477:2.0 480:1.0 483:1.0 490:1.0 493:5.0 494:3.0 498:2.0 499:7.0 500:1.0,,,,517,396,279,384,896,1241,591,664,1349,981,309,381,1424,1134,1888,19796,1129,2846,5136,1397
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4930,352780,127,4930,86:43.0 90:52.0 92:84.0 93:4.0 95:15.0 96:525.0 97:526.0 98:122.0 99:4636.0 100:234.0 106:42.0 110:60.0 111:2.0 114:33.0 120:3.0 123:4.0 126:422.0 127:13006.0 128:941.0 131:5.0 133:2.0 134:171.0 137:4.0 139:29.0 140:193.0 149:41.0 151:3.0 153:75.0 167:94.0 170:17.0 177:13.0 181:73.0 193:11.0 195:28.0 207:6.0 211:97.0 227:8.0 276:2.0 285:44.0 299:364.0 300:75.0 301:42.0 312:8.0 314:45.0 316:14.0 325:5.0 328:36.0 329:18.0 340:13.0 341:35.0 342:37.0 343:15.0 344:25.0 345:9.0 356:4.0 373:42.0 374:26.0 375:19.0 381:11.0 390:14.0 391:11.0 408:9.0 430:19.0 431:9.0 441:7.0 443:15.0 447:6.0 459:19.0 461:2.0 466:4.0 497:6.0,,,,6248,6092,5667,5658,6677,4605,6408,5735,4752,6116,5827,6217,5273,5962,6141,8762,5902,5492,6847,5520
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2749,468334,218,2749,85:265.0 86:100.0 87:318.0 93:20.0 98:25.0 99:147.0 100:799.0 101:334.0 102:111.0 107:47.0 110:32.0 111:1.0 112:105.0 113:22.0 114:412.0 115:182.0 116:89.0 117:407.0 118:410.0 128:1293.0 129:387.0 130:1760.0 131:342.0 132:222.0 134:153.0 140:26.0 142:4.0 144:273.0 146:125.0 147:629.0 148:66.0 149:107.0 153:1.0 155:94.0 156:14.0 158:24.0 159:18.0 160:2.0 167:25.0 170:412.0 171:155.0 172:58.0 173:45.0 179:11.0 183:17.0 186:28.0 188:196.0 191:121.0 192:31.0 193:10.0 198:33.0 202:132.0 203:38.0 204:25.0 211:35.0 217:230.0 218:3740.0 219:692.0 220:235.0 221:33.0 225:6.0 229:17.0 241:19.0 245:12.0 254:1.0 255:56.0 257:80.0 262:9.0 271:42.0 272:52.0 285:73.0 290:4.0 299:56.0 300:73.0 302:1.0 311:10.0 313:112.0 328:16.0 349:3.0 375:14.0 440:7.0 449:24.0 452:4.0 458:3.0 480:14.0,,,,227,784,230,388,3163,1738,1857,3146,1139,591,374,338,929,879,1098,7573,933,1057,1281,732
2673,401189,144,2673,86:271.0 88:3.0 89:7.0 94:6.0 95:1.0 97:19.0 98:258.0 100:246.0 102:177.0 105:14.0 106:298.0 107:30.0 108:66.0 109:12.0 110:37.0 111:2.0 112:16.0 114:296.0 119:11.0 123:1.0 125:11.0 126:1578.0 127:485.0 128:140.0 129:81.0 130:192.0 136:5.0 139:99.0 140:62.0 141:68.0 143:6.0 144:2734.0 145:310.0 146:7.0 149:14.0 151:40.0 152:105.0 153:18.0 154:161.0 157:2.0 166:235.0 167:770.0 168:138.0 171:75.0 174:125.0 180:34.0 193:1.0 201:3.0 209:2.0 211:110.0 213:30.0 215:14.0 217:4.0 218:27.0 225:29.0 228:57.0 240:33.0 256:23.0 268:6.0 277:11.0 290:5.0 291:3.0 294:2.0 297:3.0 299:580.0 301:42.0 345:1.0 365:7.0 378:3.0 385:16.0 388:13.0 389:1.0 396:9.0 412:16.0 419:20.0 421:3.0 429:7.0 437:4.0 440:11.0 448:9.0 454:4.0 455:1.0 459:32.0 461:3.0 462:10.0,,,,300,1571,337,642,4635,2210,2130,4090,1542,792,535,527,424,569,456,9052,680,394,1696,379
2476,292320,145,2476,85:2550.0 86:193.0 87:126.0 88:6679.0 89:707.0 90:300.0 91:124.0 93:76.0 96:37.0 97:2.0 98:27.0 99:74.0 100:292.0 101:166.0 102:163.0 107:98.0 108:56.0 110:19.0 111:11.0 112:18.0 114:51.0 115:684.0 116:321.0 119:4.0 120:1.0 126:129.0 127:391.0 129:145.0 130:970.0 139:7.0 141:2.0 144:18.0 145:4090.0 146:464.0 150:2.0 153:7.0 159:24.0 160:293.0 168:51.0 169:4.0 174:9.0 177:15.0 179:26.0 184:445.0 185:17.0 187:107.0 188:46.0 189:16.0 190:12.0 192:3.0 194:17.0 195:13.0 206:2.0 209:18.0 210:5.0 214:6.0 231:1.0 233:10.0 234:5.0 236:4.0 237:7.0 244:38.0 253:22.0 254:13.0 259:18.0 272:1.0 274:6.0 275:15.0 276:5.0 278:13.0 280:18.0 284:19.0 290:5.0 293:19.0 294:11.0 297:1.0 298:14.0 301:9.0 302:3.0 303:11.0 304:18.0 305:6.0 308:6.0 309:5.0 310:8.0 311:18.0 312:10.0 319:34.0 321:14.0 323:10.0 324:3.0 328:4.0 330:5.0 332:6.0 333:4.0 336:10.0 338:7.0 345:6.0 354:25.0 356:8.0 359:17.0 360:1.0 366:16.0 368:47.0 371:22.0 373:1.0 375:4.0 376:4.0 384:5.0 386:29.0 389:16.0 392:15.0 396:1.0 397:22.0 399:15.0 407:5.0 408:12.0 411:20.0 413:19.0 416:24.0 417:4.0 422:6.0 424:9.0 425:1.0 427:18.0 429:7.0 431:5.0 432:41.0 435:2.0 438:29.0 443:13.0 444:29.0 446:18.0 448:27.0 450:19.0 451:19.0 453:5.0 457:3.0 464:8.0 465:26.0 474:10.0 476:9.0 480:13.0 481:3.0 483:17.0 484:6.0 488:31.0 493:7.0 494:42.0 497:6.0 498:19.0,,,,600,805,820,813,639,728,459,559,916,871,883,597,561,624,503,650,755,539,558,361
2405,560224,200,2405,85:194.0 86:203.0 88:33.0 89:725.0 90:158.0 92:109.0 93:3.0 99:45.0 100:62.0 102:537.0 106:13.0 107:25.0 110:1660.0 113:12.0 117:357.0 126:67.0 130:530.0 131:36.0 134:109.0 149:111.0 171:249.0 172:12.0 183:83.0 184:203.0 200:2498.0 201:199.0 202:34.0 203:42.0 211:6.0 215:483.0 218:15.0 229:23.0 241:80.0 244:78.0 299:20.0 313:1.0 316:103.0 354:5.0 372:3.0 382:26.0 397:9.0 404:11.0 431:33.0,,,,11131,24712,4438,4071,7947,62296,5772,6947,16165,18789,2896,8574,7605,4065,5388,17592,4475,7197,5111,4058
2193,594117,292,2193,86:163.0 87:325.0 88:467.0 89:590.0 90:91.0 91:66.0 92:32.0 94:47.0 97:15.0 99:117.0 101:1733.0 102:1159.0 103:10610.0 104:1025.0 105:396.0 107:19.0 108:1.0 113:94.0 114:145.0 115:70.0 116:1948.0 117:4605.0 118:638.0 119:478.0 120:66.0 122:13.0 126:81.0 129:1036.0 130:1051.0 131:1101.0 132:82.0 133:1631.0 134:272.0 135:101.0 137:14.0 139:22.0 141:162.0 142:194.0 143:1146.0 144:188.0 145:203.0 146:160.0 147:8348.0 148:1606.0 149:653.0 150:6.0 151:6.0 152:66.0 154:22.0 156:43.0 157:346.0 159:71.0 160:107.0 161:386.0 162:45.0 163:40.0 168:3.0 169:75.0 171:82.0 172:30.0 173:58.0 174:1184.0 175:321.0 176:171.0 177:120.0 178:19.0 180:1.0 181:61.0 182:1.0 183:13.0 186:88.0 187:36.0 189:2116.0 190:350.0 191:738.0 192:1.0 193:83.0 201:53.0 203:33.0 204:954.0 205:1049.0 206:220.0 207:203.0 208:89.0 214:22.0 215:65.0 217:4334.0 218:821.0 219:521.0 220:95.0 221:422.0 222:123.0 223:24.0 224:3.0 226:7.0 229:28.0 230:7.0 231:51.0 232:20.0 233:53.0 235:43.0 243:213.0 244:12.0 245:17.0 248:15.0 250:2.0 253:5.0 255:8.0 257:203.0 258:100.0 259:59.0 264:3.0 265:56.0 268:2.0 269:3.0 276:9.0 277:380.0 278:133.0 279:42.0 280:26.0 285:2.0 291:46.0 292:4501.0 293:1307.0 294:599.0 295:25.0 296:10.0 298:2.0 301:17.0 303:14.0 305:424.0 306:83.0 307:555.0 308:160.0 309:72.0 310:5.0 312:2.0 313:1.0 319:67.0 320:65.0 328:1.0 331:189.0 332:48.0 333:727.0 334:221.0 335:144.0 336:6.0 337:11.0 342:2.0 348:52.0 354:6.0 361:14.0 365:8.0 369:2.0 370:4.0 371:1.0 374:2.0 379:66.0 381:4.0 383:2.0 384:2.0 386:3.0 392:8.0 399:1.0 402:17.0 403:1.0 404:8.0 407:4.0 409:9.0 416:15.0 420:4.0 421:57.0 427:4.0 429:50.0 432:22.0 434:39.0 439:9.0 440:13.0 442:11.0 445:4.0 452:1.0 453:7.0 460:2.0 464:3.0 465:2.0 466:11.0 470:14.0 471:1.0 473:2.0 477:9.0 478:11.0 481:15.0 486:1.0 491:4.0 497:7.0 498:3.0,,,,280,338,199,285,620,429,553,389,221,296,220,218,4271,3022,4438,39847,4219,4898,2142,7917
2031,632838,245,2031,85:450.0 88:80.0 91:282.0 93:226.0 94:265.0 98:42.0 99:130.0 100:823.0 101:383.0 102:309.0 103:1635.0 104:93.0 106:35.0 107:12.0 108:1.0 109:90.0 112:120.0 113:98.0 114:99.0 115:13.0 116:86.0 120:608.0 121:570.0 122:3.0 126:27.0 127:144.0 128:73.0 129:1500.0 130:726.0 131:280.0 133:690.0 134:63.0 138:12.0 139:75.0 140:21.0 141:56.0 142:36.0 143:78.0 144:3102.0 145:88.0 146:541.0 147:4354.0 148:643.0 149:355.0 153:32.0 154:408.0 155:141.0 156:88.0 157:131.0 158:148.0 159:23.0 160:444.0 161:88.0 163:171.0 164:25.0 169:31.0 170:47.0 171:56.0 172:390.0 173:60.0 174:6978.0 175:256.0 183:74.0 189:104.0 190:19.0 191:250.0 195:4.0 198:3.0 199:15.0 200:12.0 203:133.0 204:344.0 205:181.0 206:10.0 212:16.0 213:26.0 214:219.0 216:13.0 217:1089.0 218:271.0 219:315.0 220:109.0 221:133.0 222:13.0 227:77.0 229:89.0 231:143.0 243:316.0 244:57.0 245:6345.0 246:1290.0 247:561.0 248:33.0 257:209.0 259:2.0 265:7.0 271:163.0 272:7.0 292:40.0 303:3.0 306:8.0 317:32.0 318:13.0 319:3.0 320:5.0 333:37.0 335:360.0 336:40.0 337:32.0 345:18.0 362:5.0 375:97.0 376:6.0 389:3.0 456:13.0 465:4.0 483:39.0 497:5.0,,,,373,746,421,345,1220,1018,1572,1381,1061,741,388,290,22077,30816,14798,97218,15117,16887,34472,14451
1996,320124,156,1996,86:83.0 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,,,,724,1276,674,1079,3356,1700,3308,3423,1879,1292,924,648,1108,1205,1374,13685,1200,838,2539,970
1981,422675,103,1981,87:36.0 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,,,,1509,1834,1430,1754,4233,3772,13921,5655,5434,4661,1835,1236,5130,5161,5908,32673,4849,4928,5604,3226
1912,855692,187,1912,85:180.0 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,,,,1095,776,336,250,2652,1070,3151,1505,312,3056,270,1254,568,612,908,4440,759,687,1532,823
1872,471634,85,1872,85:4810.0 86:144.0 92:41.0 97:18.0 98:24.0 99:1189.0 100:64.0 107:119.0 111:152.0 112:149.0 113:643.0 126:1.0 127:324.0 128:1.0 141:5.0 145:14.0 155:124.0 169:6.0 184:29.0 495:15.0,,,,2097,1077,539,572,2555,1662,3087,2828,1720,2147,535,1332,1001,975,815,3543,1039,874,1703,920
1867,291687,129,1867,85:235.0 86:27.0 87:22.0 88:229.0 89:47.0 90:22.0 91:1.0 92:125.0 97:17.0 99:387.0 100:177.0 101:314.0 103:1329.0 104:35.0 105:5.0 106:27.0 107:157.0 111:29.0 113:88.0 115:443.0 116:286.0 117:74.0 126:76.0 127:84.0 129:7381.0 130:1223.0 131:492.0 132:31.0 133:92.0 134:174.0 142:80.0 143:7.0 145:31.0 147:1758.0 148:166.0 149:227.0 184:172.0 185:22.0 232:120.0 233:2.0 234:9.0 395:7.0 408:2.0 500:8.0,,,,710,866,805,801,759,719,762,949,977,915,743,865,752,785,895,947,846,810,764,785
1866,274660,129,1866,87:75.0 88:48.0 89:15.0 92:8.0 97:23.0 99:481.0 100:323.0 101:236.0 103:1929.0 104:165.0 105:80.0 106:6.0 107:11.0 110:127.0 111:23.0 113:192.0 115:228.0 116:398.0 117:52.0 126:230.0 127:175.0 128:45.0 129:8168.0 130:885.0 131:319.0 133:338.0 134:315.0 135:27.0 142:180.0 143:145.0 144:21.0 147:2545.0 148:379.0 149:137.0 150:20.0 184:118.0 217:17.0 218:22.0 232:169.0 240:8.0 299:1.0 391:6.0 456:14.0 464:14.0 488:3.0 497:13.0,,,,1690,1659,1652,1721,1506,1609,1275,1564,1701,1628,1540,1412,1738,1663,1798,1839,2091,1635,1677,1645
1865,185013,155,1865,85:378.0 87:269.0 88:67.0 90:24.0 92:30.0 97:958.0 98:64.0 99:749.0 100:147.0 101:296.0 102:38.0 104:48.0 109:6.0 110:11.0 111:301.0 112:15.0 113:374.0 114:79.0 115:1107.0 116:73.0 118:19.0 119:3.0 120:5.0 125:198.0 127:1297.0 128:16.0 129:39.0 130:118.0 131:500.0 137:83.0 139:401.0 140:7.0 144:144.0 145:95.0 147:4071.0 148:398.0 149:204.0 151:6.0 155:8360.0 156:1058.0 157:368.0 160:11.0 161:43.0 162:13.0 163:4.0 169:99.0 170:1757.0 171:186.0 172:19.0 186:4.0 191:10.0 203:6.0 207:214.0 208:47.0 209:18.0 210:1.0 211:11.0 214:4.0 219:23.0 249:29.0 261:6.0 299:5.0 500:1.0,,,,6009,5500,6748,6257,4371,5835,1155,3509,5120,5212,6184,6464,5775,6372,6608,3760,6704,5189,4008,6338
1862,219219,174,1862,86:2133.0 87:406.0 88:54.0 89:68.0 90:65.0 91:345.0 92:31.0 93:88.0 95:13.0 96:12.0 100:5423.0 101:437.0 102:484.0 103:356.0 105:2.0 108:26.0 109:1.0 110:70.0 112:24.0 114:79.0 115:12.0 116:345.0 118:33.0 119:29.0 125:1.0 128:169.0 130:20169.0 131:2229.0 132:724.0 134:128.0 135:50.0 142:37.0 144:419.0 145:66.0 146:255.0 150:92.0 151:506.0 152:40.0 153:34.0 157:13.0 158:18.0 160:39.0 161:3.0 162:55.0 166:65.0 172:9.0 173:31.0 174:22336.0 175:3049.0 176:986.0 177:43.0 183:14.0 184:43.0 185:1.0 186:3.0 187:37.0 188:72.0 189:3386.0 190:286.0 221:45.0 234:4.0 240:15.0 243:6.0 250:24.0 264:4.0 265:13.0 266:31.0 269:3.0 273:7.0 276:9.0 300:31.0 313:6.0 315:11.0 325:16.0 332:1.0 356:20.0 364:1.0 367:8.0 387:7.0 390:3.0 398:15.0 410:24.0 439:11.0 442:5.0 445:20.0 456:7.0 458:3.0 464:7.0 482:5.0,,,,1420,1275,1833,1595,1014,1552,1078,1318,1590,1379,1937,1710,1569,1768,1853,1221,1498,1421,1381,1593
1830,742641,156,1830,86:407.0 92:63.0 96:14.0 97:32.0 100:272.0 101:4.0 103:145.0 107:13.0 108:5.0 117:347.0 129:122.0 130:155.0 131:81.0 132:3.0 134:22.0 136:2.0 139:5.0 140:82.0 141:52.0 142:22.0 143:17.0 152:23.0 154:42.0 156:4987.0 157:877.0 158:635.0 160:53.0 169:27.0 170:11.0 172:3.0 174:1361.0 175:155.0 176:87.0 190:15.0 195:1.0 197:3.0 199:14.0 204:168.0 205:10.0 206:44.0 215:1.0 217:120.0 220:31.0 227:11.0 234:3.0 267:29.0 269:259.0 281:1.0 284:4.0 295:1.0 299:92.0 325:5.0 328:13.0 334:17.0 343:15.0 350:9.0 355:3.0 365:6.0 371:29.0 383:11.0 386:21.0 397:5.0 399:18.0 405:1.0 407:1.0 414:1.0 420:1.0 423:4.0 431:19.0 451:1.0 456:1.0 462:1.0 482:21.0 493:2.0 494:8.0 495:2.0,,,,302,568,273,364,1225,669,2969,2388,796,474,356,286,356,281,460,2213,335,317,986,445
1812,658424,203,1812,85:88.0 86:125.0 89:90.0 98:82.0 100:2393.0 101:365.0 102:157.0 103:651.0 104:87.0 105:206.0 107:47.0 112:39.0 114:43.0 115:153.0 116:155.0 117:681.0 118:11.0 126:80.0 127:2.0 128:289.0 129:260.0 130:223.0 131:758.0 132:79.0 133:427.0 143:54.0 144:27.0 146:80.0 147:1326.0 148:68.0 152:65.0 154:30.0 156:26.0 157:28.0 158:36.0 166:18.0 172:22.0 177:62.0 178:69.0 184:100.0 188:184.0 189:78.0 190:34.0 191:96.0 199:11.0 200:94.0 203:7144.0 204:1466.0 205:647.0 206:92.0 214:3.0 216:749.0 217:806.0 218:739.0 219:149.0 220:23.0 231:48.0 232:27.0 264:1.0 290:1.0 304:304.0 305:49.0 318:5.0,,,,512,721,282,478,1413,808,4940,3744,1249,599,394,346,379,250,379,3516,443,414,656,292
1753,795138,290,1753,85:57.0 87:36.0 88:28.0 89:1090.0 90:99.0 98:114.0 99:108.0 101:508.0 103:2355.0 104:196.0 105:13.0 111:12.0 112:25.0 113:58.0 114:60.0 115:68.0 116:88.0 117:1377.0 118:71.0 119:5.0 125:1.0 126:244.0 128:69.0 129:1132.0 130:88.0 131:83.0 132:14.0 133:3844.0 134:419.0 135:90.0 139:2.0 140:34.0 141:11.0 142:98.0 143:170.0 144:67.0 145:62.0 146:63.0 147:5341.0 148:971.0 149:526.0 151:34.0 154:11.0 156:1801.0 157:1049.0 158:107.0 159:33.0 161:47.0 162:22.0 163:46.0 168:14.0 169:10.0 170:36.0 172:221.0 173:7.0 175:15.0 182:2.0 183:125.0 184:10.0 186:269.0 187:69.0 188:36.0 189:351.0 190:550.0 191:389.0 192:79.0 194:50.0 195:15.0 196:18.0 200:171.0 201:15.0 202:24.0 203:3.0 204:689.0 205:1509.0 206:278.0 207:188.0 209:14.0 210:24.0 214:103.0 215:40.0 216:49.0 217:1438.0 218:307.0 219:119.0 221:132.0 222:42.0 223:23.0 224:25.0 226:15.0 228:8.0 229:199.0 230:39.0 231:44.0 232:131.0 233:12.0 234:87.0 235:65.0 242:50.0 244:18.0 246:458.0 247:132.0 248:6.0 255:2.0 256:11.0 259:42.0 261:52.0 265:18.0 268:16.0 272:2.0 277:18.0 281:27.0 282:21.0 290:3022.0 291:788.0 292:345.0 295:3.0 303:7.0 304:10.0 305:57.0 306:42.0 307:21.0 308:11.0 317:2.0 319:973.0 320:299.0 321:91.0 322:8.0 328:29.0 331:21.0 340:20.0 341:61.0 344:4.0 346:1.0 348:41.0 354:2.0 355:21.0 356:22.0 357:24.0 358:40.0 363:37.0 366:5.0 373:40.0 392:135.0 393:40.0 395:15.0 398:1.0 399:2.0 404:77.0 405:44.0 415:7.0 449:10.0 464:20.0 490:2.0 499:15.0,,,,536,906,469,756,1482,1288,1383,987,2523,829,526,564,669,399,433,975,1294,1045,2865,1286
1751,531664,174,1751,85:33.0 86:1399.0 87:129.0 88:285.0 95:15.0 98:88.0 99:42.0 100:701.0 101:104.0 102:839.0 103:34.0 104:25.0 107:64.0 109:51.0 112:18.0 114:270.0 115:241.0 116:52.0 118:17.0 127:89.0 128:553.0 130:319.0 132:70.0 134:23.0 140:41.0 142:44.0 143:2.0 144:36.0 146:136.0 154:463.0 155:177.0 156:561.0 157:325.0 158:110.0 160:73.0 162:17.0 170:171.0 171:175.0 172:145.0 174:4159.0 175:759.0 176:258.0 182:13.0 184:72.0 202:15.0 214:10.0 246:1.0 263:11.0 298:15.0 299:25.0 303:82.0 304:50.0 309:2.0 350:20.0 358:1.0 362:14.0 364:9.0 370:11.0 375:25.0 414:8.0 418:3.0 422:7.0 433:8.0 437:12.0 444:4.0 451:14.0 454:31.0 485:3.0 496:27.0 500:4.0,,,,11557,19759,5303,2534,20314,21418,20028,25940,2263,14653,2150,6272,2916,3649,448,19514,1886,2539,661,2735
1746,766150,156,1746,95:5.0 96:2.0 98:5.0 100:122.0 101:177.0 102:33.0 103:10.0 106:2.0 107:4.0 110:39.0 113:4.0 116:106.0 117:1181.0 118:81.0 119:62.0 121:1.0 123:2.0 129:297.0 130:152.0 131:277.0 132:18.0 133:303.0 134:137.0 135:1.0 138:3.0 140:87.0 141:140.0 143:107.0 147:825.0 151:56.0 156:5457.0 157:957.0 158:867.0 159:63.0 160:11.0 161:42.0 166:16.0 168:15.0 170:11.0 171:8.0 173:1.0 175:45.0 178:8.0 179:1.0 180:14.0 181:160.0 182:24.0 183:1.0 189:34.0 195:1.0 196:2.0 197:2.0 200:5.0 202:13.0 204:146.0 205:2.0 209:1.0 211:36.0 216:16.0 217:350.0 218:57.0 219:27.0 220:13.0 225:2.0 226:52.0 228:27.0 231:66.0 232:32.0 239:31.0 240:63.0 241:1.0 243:5.0 244:9.0 252:16.0 256:26.0 257:1.0 258:4.0 277:25.0 279:7.0 283:17.0 284:3.0 287:9.0 295:1.0 296:3.0 297:3.0 298:9.0 299:424.0 300:68.0 301:4.0 313:8.0 315:211.0 316:87.0 317:28.0 319:18.0 330:149.0 333:56.0 337:5.0 338:27.0 339:2.0 341:62.0 348:17.0 350:34.0 357:86.0 362:11.0 366:3.0 381:4.0 383:3.0 393:1.0 396:1.0 400:17.0 402:107.0 403:32.0 411:1.0 414:1.0 417:2.0 419:26.0 422:6.0 425:5.0 431:54.0 432:31.0 434:2.0 441:1.0 444:5.0 445:4.0 451:1.0 452:6.0 454:1.0 477:3.0 479:3.0 480:4.0 481:1.0 483:10.0 485:4.0 487:2.0 491:1.0 499:5.0,,,,537,1903,583,880,5846,2602,5438,6235,2712,1693,1052,705,3194,2879,2677,36491,3435,2901,7024,2758
1732,686299,142,1732,86:542.0 89:43.0 98:70.0 99:458.0 100:1124.0 101:406.0 102:178.0 103:60.0 109:43.0 112:245.0 113:321.0 114:72.0 117:325.0 118:30.0 124:9.0 126:158.0 128:849.0 129:112.0 130:374.0 132:220.0 133:78.0 140:442.0 141:224.0 142:28439.0 143:4770.0 144:1865.0 145:172.0 146:90.0 147:288.0 148:555.0 149:154.0 153:35.0 154:176.0 155:84.0 156:16.0 157:330.0 158:494.0 162:15.0 166:22.0 170:129.0 171:59.0 172:64.0 174:120.0 176:1.0 181:81.0 182:361.0 183:50.0 184:137.0 186:45.0 187:12.0 197:1.0 200:1714.0 201:310.0 202:33.0 205:85.0 209:2.0 212:2.0 215:1.0 217:59.0 218:15.0 226:7.0 227:57.0 231:43.0 232:1.0 234:50.0 239:9.0 242:17.0 246:17.0 250:2.0 255:11.0 256:40.0 263:1.0 265:4.0 267:190.0 269:4.0 272:876.0 273:246.0 274:39.0 288:82.0 298:1.0 302:13.0 310:3.0 313:11.0 314:4.0 322:39.0 344:26.0 357:27.0 368:37.0 370:20.0 373:15.0 390:24.0 401:18.0 403:19.0 410:6.0 417:37.0 418:25.0 424:1.0 478:28.0 481:41.0 483:3.0,,,,277,661,301,339,1882,962,1628,1216,1008,617,336,288,600,1767,1144,5465,2262,735,2747,4316
1725,627764,120,1725,89:1.0 91:2446.0 92:495.0 93:2058.0 94:1249.0 96:5.0 97:3.0 101:34.0 103:316.0 105:67.0 107:165.0 110:42.0 111:2.0 116:7.0 117:1199.0 119:378.0 120:3861.0 121:3647.0 122:304.0 135:5.0 140:55.0 141:15.0 142:231.0 143:15.0 146:6.0 147:13.0 149:10.0 174:12.0 179:7.0 181:47.0 185:5.0 199:1.0 206:1.0 207:4.0 208:52.0 214:1775.0 215:226.0 222:4.0 223:2.0 225:3.0 241:84.0 253:1.0 257:386.0 258:94.0 265:651.0 266:64.0 280:84.0 281:1.0 295:3.0 314:4.0 329:45.0 458:19.0 467:8.0 490:1.0,,,,1099,1236,345,405,2966,1242,4478,2745,1215,2069,409,891,372,250,350,4104,350,412,1771,327
1717,809765,156,1717,86:223.0 90:13.0 93:25.0 99:101.0 100:229.0 101:52.0 109:21.0 113:6.0 114:41.0 115:59.0 116:311.0 128:47.0 129:352.0 130:7.0 132:19.0 140:54.0 141:16.0 142:49.0 147:211.0 149:34.0 154:50.0 155:21.0 156:4506.0 157:1004.0 158:631.0 159:97.0 161:1.0 168:7.0 170:25.0 171:31.0 172:125.0 181:3.0 199:9.0 211:58.0 213:30.0 214:12.0 217:59.0 228:1.0 234:9.0 237:3.0 241:20.0 242:9.0 260:1.0 299:88.0 303:1.0 315:13.0 316:10.0 358:10.0 372:13.0 387:104.0 388:46.0 389:3.0 393:1.0 445:23.0 449:9.0 470:16.0,,,,237,366,243,195,772,503,1015,1307,510,351,328,273,370,729,766,8987,546,502,1400,544
1715,522196,217,1715,90:31.0 97:481.0 98:89.0 103:523.0 104:9.0 108:75.0 110:77.0 111:198.0 112:51.0 113:87.0 114:22.0 116:478.0 117:70.0 118:71.0 124:36.0 129:385.0 130:14.0 131:369.0 132:106.0 133:337.0 135:48.0 143:177.0 147:748.0 148:376.0 149:143.0 169:68.0 171:42.0 178:9.0 185:2.0 189:121.0 190:2.0 191:93.0 214:36.0 215:151.0 217:4267.0 218:897.0 219:366.0 220:20.0 225:6.0 226:7.0 227:29.0 230:74.0 231:2.0 239:91.0 244:12.0 248:1.0 252:1.0 255:1.0 257:1.0 274:2.0 277:16.0 283:8.0 290:21.0 307:91.0 358:4.0 390:3.0 432:1.0,,,,2318,2911,462,1388,8414,4016,8532,4181,3504,1556,2176,1028,1534,1411,1273,12689,1908,1444,6639,2165
1713,717217,156,1713,86:7.0 90:50.0 93:19.0 95:103.0 97:85.0 98:12.0 99:247.0 100:40.0 101:37.0 105:3.0 109:4.0 111:3.0 112:23.0 114:4.0 115:184.0 116:112.0 117:916.0 119:3.0 120:1.0 123:1.0 125:11.0 128:17.0 129:472.0 130:279.0 132:199.0 135:1.0 138:29.0 140:62.0 142:117.0 143:154.0 144:46.0 145:169.0 146:2.0 150:23.0 154:25.0 156:5109.0 157:938.0 158:613.0 159:270.0 160:2.0 169:9.0 170:21.0 171:1.0 172:25.0 173:64.0 184:143.0 185:2.0 186:1.0 187:2.0 189:100.0 196:9.0 201:4.0 204:32.0 211:87.0 227:39.0 228:8.0 232:69.0 239:23.0 247:12.0 255:204.0 256:27.0 285:1.0 297:7.0 313:35.0 314:1.0 344:37.0 349:1.0 357:12.0 358:9.0 369:1.0 372:8.0 378:15.0 390:8.0 424:1.0 438:4.0,,,,546,1175,580,680,3588,1418,3713,3470,1772,862,610,476,673,657,665,7090,633,584,1727,709
1710,475597,217,1710,85:165.0 86:499.0 87:246.0 89:691.0 90:42.0 92:24.0 99:283.0 100:398.0 101:2881.0 102:312.0 103:3628.0 104:340.0 105:101.0 107:398.0 108:37.0 109:88.0 110:231.0 112:138.0 113:195.0 114:72.0 115:415.0 116:2009.0 117:1515.0 118:167.0 119:74.0 126:76.0 128:252.0 129:5439.0 130:1398.0 131:1931.0 132:280.0 133:1656.0 135:287.0 136:204.0 137:4.0 139:55.0 141:10.0 142:128.0 143:424.0 144:23.0 145:157.0 147:4195.0 148:610.0 149:643.0 150:2.0 151:69.0 154:1.0 155:245.0 156:128.0 157:850.0 158:516.0 159:171.0 160:52.0 161:100.0 162:45.0 163:300.0 165:3.0 168:22.0 169:188.0 170:1303.0 171:479.0 172:147.0 173:68.0 174:935.0 175:220.0 176:56.0 177:400.0 178:82.0 179:70.0 183:10.0 184:157.0 185:11.0 186:2.0 187:13.0 188:18.0 189:445.0 190:66.0 191:680.0 192:116.0 197:10.0 200:69.0 201:47.0 203:186.0 204:461.0 207:162.0 209:59.0 210:1.0 215:15.0 217:4989.0 218:1364.0 219:590.0 220:23.0 221:209.0 229:20.0 230:63.0 231:44.0 235:10.0 243:65.0 244:75.0 245:63.0 247:262.0 248:31.0 253:1.0 255:2.0 257:30.0 260:50.0 262:2.0 263:37.0 269:2.0 276:20.0 280:8.0 281:2.0 282:2.0 291:15.0 297:30.0 299:69.0 300:5.0 307:11.0 312:12.0 322:2.0 338:7.0 348:24.0 349:41.0 350:19.0 358:13.0 369:7.0 370:9.0 372:33.0 390:13.0 391:21.0 393:6.0 394:8.0 401:11.0 404:34.0 407:6.0 408:2.0 411:3.0 419:7.0 434:11.0 437:1.0 443:22.0 452:13.0 454:39.0 457:17.0 471:34.0 472:1.0 473:10.0 482:15.0,,,,323,349,113,370,610,575,876,497,759,236,343,335,407,224,568,2100,335,438,410,258
1709,315703,212,1709,85:233.0 86:8.0 87:103.0 89:24.0 90:17.0 91:131.0 92:39.0 93:152.0 94:83.0 95:1.0 96:13.0 97:10.0 98:451.0 99:283.0 100:138.0 101:71.0 102:46.0 104:48.0 107:919.0 109:56.0 110:251.0 111:83.0 112:58.0 113:44.0 114:195.0 115:8.0 116:10.0 117:123.0 119:95.0 120:136.0 122:3939.0 123:366.0 124:535.0 125:134.0 126:27.0 127:274.0 130:49.0 131:105.0 132:81.0 133:153.0 134:531.0 135:75.0 136:60.0 137:3.0 141:1.0 143:138.0 145:82.0 146:18.0 148:237.0 149:27.0 150:7.0 151:37.0 153:1.0 155:946.0 156:283.0 157:57.0 158:30.0 159:17.0 160:23.0 161:108.0 163:3.0 165:13.0 170:106.0 171:5.0 172:21.0 173:31.0 174:6.0 175:17.0 176:10.0 177:14.0 178:3.0 179:8.0 182:5.0 184:335.0 185:79.0 187:8.0 188:8.0 190:10.0 191:30.0 193:14.0 196:240.0 197:35.0 199:149.0 201:5.0 202:23.0 203:37.0 204:7.0 205:16.0 207:49.0 208:4.0 212:5593.0 213:974.0 214:246.0 215:120.0 216:16.0 217:5.0 218:51.0 219:30.0 220:43.0 221:11.0 223:6.0 228:17.0 231:8.0 233:3.0 236:1.0 238:5.0 246:20.0 247:11.0 248:12.0 249:25.0 250:13.0 251:15.0 260:6.0 261:2.0 266:11.0 267:13.0 282:14.0 283:32.0 284:15.0 293:14.0 299:32.0 300:24.0 369:13.0 370:5.0 371:1.0 416:1.0 427:17.0 434:2.0 443:5.0,,,,853,1021,901,989,929,801,793,850,947,903,998,808,671,894,958,565,759,969,991,862
1708,759197,156,1708,85:9.0 86:126.0 90:10.0 93:21.0 100:99.0 103:125.0 104:26.0 108:7.0 110:32.0 116:155.0 140:82.0 141:70.0 142:96.0 149:37.0 153:32.0 154:8.0 156:6197.0 157:986.0 158:924.0 160:8.0 172:7.0 174:10.0 181:27.0 182:12.0 183:18.0 188:41.0 196:23.0 203:150.0 204:25.0 207:15.0 209:177.0 214:5.0 217:72.0 225:95.0 229:70.0 230:89.0 232:22.0 253:20.0 258:3.0 260:20.0 265:360.0 266:8.0 280:17.0 297:5.0 299:40.0 302:1.0 304:33.0 306:1.0 315:49.0 320:7.0 329:7.0 336:5.0 343:10.0 346:25.0 348:13.0 350:4.0 351:5.0 360:6.0 363:10.0 366:2.0 387:7.0 399:13.0 414:21.0 417:40.0 419:20.0 425:9.0 443:9.0 448:3.0 453:21.0 479:18.0 485:22.0 497:37.0 499:7.0,,,,382,817,281,381,3098,939,2184,2652,1049,694,376,369,810,822,1014,15927,800,595,3000,866
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479,472741,98,479,86:144.0 87:849.0 88:1160.0 95:25.0 96:99.0 97:138.0 98:29641.0 99:1081.0 100:626.0 101:3447.0 102:3036.0 103:8156.0 104:819.0 105:528.0 109:20.0 114:95.0 115:627.0 116:4225.0 117:7339.0 118:911.0 124:47.0 125:79.0 126:237.0 128:648.0 129:75.0 130:589.0 131:524.0 132:108.0 133:591.0 138:18.0 139:28.0 142:61.0 143:456.0 144:241.0 145:308.0 146:59.0 156:264.0 158:43.0 161:856.0 162:127.0 170:435.0 171:2189.0 173:125.0 175:71.0 187:343.0 192:42.0 200:4128.0 201:553.0 216:40.0 218:132.0 236:21.0 240:22.0 255:37.0 266:17.0 269:27.0 283:22.0 312:43.0 321:8.0 322:21.0 325:25.0 332:12.0 349:15.0 356:17.0 362:18.0 364:28.0 369:24.0 372:19.0 375:18.0 376:18.0 383:38.0 385:12.0 389:14.0 396:29.0 403:12.0 405:12.0 406:19.0 410:15.0 413:12.0 419:28.0 423:36.0 427:16.0 431:14.0 440:38.0 444:23.0 445:28.0 447:35.0 455:29.0 459:26.0 469:20.0 477:14.0 482:15.0 488:12.0 499:19.0,,,,926,1475,962,912,3169,1645,8510,4160,1298,1133,909,715,1853,2203,2537,5597,3195,2601,12400,2592
462,341008,259,462,85:367.0 86:221.0 87:648.0 88:316.0 91:91.0 93:212.0 96:45.0 97:58.0 100:2171.0 101:616.0 102:524.0 103:211.0 104:216.0 111:117.0 113:83.0 115:374.0 117:2314.0 119:250.0 120:599.0 121:1913.0 122:125.0 123:73.0 124:29.0 127:788.0 131:2048.0 133:1103.0 137:183.0 138:30.0 139:27.0 144:3295.0 145:263.0 146:160.0 147:20266.0 148:3207.0 149:1369.0 150:146.0 151:2028.0 152:196.0 153:87.0 158:36.0 163:59.0 164:34.0 165:298.0 166:420.0 173:139.0 174:783.0 175:145.0 176:315.0 178:45.0 189:1817.0 190:466.0 191:206.0 192:34.0 198:58.0 215:23.0 216:40.0 218:81.0 219:33.0 220:35.0 230:16.0 237:25.0 240:48.0 256:16.0 257:13.0 259:2963.0 260:387.0 261:176.0 262:22.0 285:13.0 286:131.0 288:20.0 305:18.0 306:248.0 307:91.0 308:33.0 346:13.0 353:17.0 358:9.0 359:21.0 360:296.0 361:83.0 362:31.0 377:14.0 387:25.0 415:14.0 439:19.0 440:17.0 442:16.0 456:14.0 460:16.0 489:25.0,,,                           ,821,859,761,734,941,769,849,1128,681,957,775,610,750,694,769,1579,585,524,700,800
458,738853,113,458,85:649.0 86:521.0 87:68.0 88:122.0 89:196.0 93:107.0 94:186.0 95:668.0 96:502.0 98:503.0 99:1371.0 100:1073.0 101:366.0 102:140.0 104:68.0 106:148.0 108:92.0 109:99.0 111:171.0 112:228.0 113:8431.0 114:705.0 115:520.0 116:81.0 117:264.0 118:73.0 120:57.0 123:275.0 124:618.0 125:330.0 126:98.0 127:338.0 128:147.0 131:448.0 133:214.0 138:97.0 139:111.0 140:148.0 142:297.0 147:3420.0 148:542.0 150:55.0 151:280.0 152:101.0 153:362.0 154:148.0 155:256.0 156:75.0 157:120.0 158:183.0 160:154.0 164:19.0 165:382.0 166:141.0 167:94.0 168:85.0 169:781.0 170:240.0 171:247.0 174:33.0 176:37.0 179:235.0 180:212.0 182:904.0 183:204.0 184:96.0 185:47.0 187:168.0 194:208.0 195:82.0 196:54.0 197:760.0 198:202.0 199:77.0 201:22.0 203:37.0 205:58.0 206:37.0 207:115.0 212:208.0 213:95.0 214:63.0 216:257.0 217:102.0 222:75.0 223:460.0 224:83.0 226:30.0 231:22.0 235:57.0 236:77.0 237:39.0 238:20.0 239:30.0 240:371.0 241:88.0 242:47.0 244:51.0 251:423.0 252:126.0 253:41.0 256:913.0 257:193.0 258:111.0 260:33.0 263:64.0 264:46.0 269:140.0 271:20.0 273:27.0 278:43.0 279:43.0 281:43.0 282:55.0 283:33.0 288:18.0 293:26.0 294:24.0 295:23.0 296:76.0 297:708.0 298:204.0 299:99.0 300:37.0 305:22.0 309:115.0 310:95.0 314:32.0 324:26.0 325:456.0 326:189.0 327:93.0 337:72.0 338:27.0 340:51.0 344:22.0 351:43.0 352:111.0 353:2064.0 354:598.0 355:242.0 356:56.0 357:22.0 359:19.0 368:283.0 369:141.0 370:51.0 373:30.0 376:40.0 383:20.0 385:45.0 389:9.0 394:33.0 395:45.0 399:35.0 400:28.0 406:43.0 423:43.0 429:14.0 430:29.0 433:17.0 439:17.0 442:43.0 444:32.0 449:31.0 451:25.0 455:33.0 457:27.0 463:37.0 465:35.0 469:41.0 472:38.0 478:46.0 480:17.0 486:29.0 495:27.0 497:51.0 500:15.0,,,,712,3350,747,792,2937,2072,933,1063,1328,1179,797,484,2611,1996,25191,51900,11680,14093,39118,20224
453,280176,86,453,85:2866.0 86:48433.0 87:4176.0 89:655.0 91:1047.0 92:155.0 95:67.0 96:510.0 97:153.0 98:109.0 99:175.0 101:162.0 102:486.0 103:1914.0 104:760.0 105:393.0 106:217.0 114:153.0 116:224.0 118:384.0 121:58.0 126:283.0 128:481.0 129:854.0 130:913.0 131:625.0 132:367.0 142:316.0 144:105.0 146:2081.0 151:48.0 152:30.0 153:64.0 158:64.0 159:53.0 160:86.0 161:68.0 165:900.0 166:125.0 170:1061.0 171:585.0 172:109.0 174:16.0 180:365.0 186:15.0 188:1028.0 189:81.0 212:23.0 213:26.0 222:49.0 228:14.0 251:57.0 252:23.0 254:25.0 255:17.0 258:16.0 268:38.0 278:25.0 289:27.0 295:24.0 298:13.0 310:8.0 313:36.0 317:22.0 320:36.0 321:22.0 330:26.0 340:18.0 356:14.0 366:24.0 369:102.0 379:17.0 389:26.0 391:21.0 392:13.0 393:14.0 394:14.0 397:20.0 407:16.0 409:14.0 411:27.0 412:20.0 430:25.0 436:18.0 438:16.0 439:21.0 441:14.0 443:13.0 446:13.0 455:30.0 460:36.0 473:25.0 475:25.0 478:16.0 492:28.0 498:32.0,,,,8756,6055,3134,2598,9365,7111,23719,10329,6477,5430,1343,1597,4433,1544,4463,19050,811,1687,23658,2839
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