BinBase name ret.index quant mz BB id mass spec PubChem CID KEGG ID units PC3_CENPF_KO_004 PC3_CENPF_KO_005 PC3_CENPF_KO_006 PC3_001 PC3_002 PC3_003 zymosterol 1088064 129 110304 85:177.0 89:568.0 91:6448.0 92:1105.0 93:4713.0 94:863.0 95:5377.0 96:483.0 97:679.0 99:214.0 100:60.0 101:496.0 102:96.0 103:474.0 104:244.0 105:5113.0 106:1074.0 107:3871.0 108:677.0 109:2977.0 110:295.0 111:776.0 112:78.0 113:216.0 114:82.0 115:1275.0 116:375.0 117:1731.0 118:596.0 119:5026.0 120:1867.0 121:2893.0 122:375.0 123:1213.0 124:126.0 125:189.0 127:349.0 128:830.0 129:11062.0 130:1669.0 131:2858.0 132:926.0 133:1954.0 134:533.0 135:1341.0 136:190.0 137:639.0 138:120.0 139:78.0 141:441.0 142:446.0 143:2138.0 144:651.0 145:2678.0 146:661.0 147:1776.0 148:321.0 149:686.0 150:90.0 151:154.0 152:134.0 153:101.0 154:94.0 155:507.0 156:230.0 157:1217.0 158:820.0 159:2007.0 160:800.0 161:1261.0 162:193.0 163:641.0 164:83.0 165:341.0 166:83.0 169:462.0 170:174.0 171:797.0 172:312.0 173:947.0 174:183.0 175:473.0 176:98.0 177:78.0 178:90.0 179:179.0 181:123.0 182:94.0 183:221.0 184:93.0 185:414.0 186:107.0 187:297.0 188:101.0 189:372.0 190:55.0 191:145.0 192:88.0 193:139.0 194:126.0 196:92.0 197:268.0 198:102.0 199:483.0 201:291.0 202:53.0 203:283.0 204:91.0 205:101.0 211:389.0 212:234.0 213:780.0 214:226.0 215:316.0 216:73.0 217:256.0 219:129.0 221:33.0 225:141.0 226:97.0 227:215.0 228:169.0 229:97.0 231:122.0 232:47.0 235:44.0 239:160.0 240:52.0 241:129.0 242:33.0 243:218.0 245:385.0 247:24.0 252:65.0 253:1350.0 254:336.0 255:293.0 256:37.0 258:52.0 267:47.0 269:55.0 281:289.0 282:280.0 290:27.0 295:45.0 323:32.0 324:26.0 326:161.0 327:406.0 328:105.0 329:36.0 343:865.0 344:354.0 346:36.0 351:377.0 352:117.0 366:192.0 367:89.0 368:32.0 372:257.0 373:139.0 374:38.0 430:30.0 440:27.0 441:216.0 442:141.0 456:128.0 457:87.0 92746 C05437 normalized intensity 18882.64 18013.47 20625.57 17044.24 14412.70 14579.52 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 439205 C00312 normalized intensity 2066.48 2390.79 2516.41 2032.65 1753.93 2685.34 xylose 546699 307 231 85:303.0 86:445.0 87:365.0 88:302.0 89:3272.0 90:311.0 91:175.0 94:67.0 98:180.0 100:981.0 101:1295.0 102:627.0 103:28581.0 104:2349.0 105:2067.0 106:84.0 107:93.0 109:41.0 110:139.0 111:123.0 112:95.0 113:247.0 114:528.0 115:515.0 116:333.0 117:974.0 118:211.0 119:228.0 120:59.0 121:36.0 122:19.0 124:42.0 125:54.0 126:190.0 127:198.0 128:240.0 129:1569.0 130:606.0 131:1210.0 133:3371.0 134:539.0 135:301.0 136:67.0 138:43.0 139:63.0 140:86.0 141:92.0 142:197.0 143:474.0 144:132.0 145:190.0 146:63.0 147:10038.0 148:1511.0 149:963.0 150:98.0 151:65.0 152:51.0 153:17.0 154:61.0 155:89.0 156:55.0 157:101.0 158:242.0 159:64.0 160:1806.0 161:368.0 162:119.0 163:384.0 164:92.0 165:52.0 166:33.0 167:51.0 168:237.0 170:80.0 171:41.0 172:98.0 173:191.0 174:301.0 175:254.0 176:38.0 177:107.0 178:32.0 180:33.0 182:43.0 183:24.0 184:83.0 185:40.0 186:56.0 188:32.0 189:1895.0 190:370.0 191:672.0 192:130.0 193:74.0 194:29.0 195:26.0 196:35.0 197:44.0 198:177.0 200:101.0 201:37.0 202:76.0 203:142.0 204:706.0 205:739.0 206:217.0 207:191.0 208:43.0 212:64.0 215:71.0 216:216.0 217:8693.0 218:1618.0 219:676.0 220:130.0 221:166.0 222:55.0 223:23.0 224:26.0 226:23.0 228:51.0 229:68.0 230:58.0 231:181.0 232:99.0 233:380.0 234:220.0 235:88.0 239:41.0 240:73.0 242:84.0 243:79.0 244:44.0 247:48.0 248:51.0 251:28.0 252:41.0 253:21.0 254:43.0 255:36.0 256:141.0 259:72.0 260:48.0 261:19.0 262:168.0 263:87.0 264:34.0 265:30.0 270:34.0 271:34.0 272:61.0 273:51.0 274:57.0 275:43.0 276:23.0 277:513.0 278:203.0 279:97.0 280:52.0 283:34.0 286:16.0 288:79.0 289:16.0 291:67.0 292:30.0 293:30.0 295:36.0 296:18.0 300:28.0 304:27.0 306:77.0 307:1973.0 308:588.0 309:290.0 310:40.0 311:38.0 312:31.0 313:24.0 318:27.0 319:37.0 320:22.0 322:20.0 325:37.0 328:65.0 330:95.0 331:82.0 332:33.0 333:49.0 335:34.0 336:28.0 338:21.0 339:23.0 340:17.0 341:14.0 343:42.0 344:32.0 346:40.0 347:26.0 348:29.0 349:34.0 352:45.0 353:55.0 354:28.0 355:30.0 356:21.0 357:28.0 358:44.0 359:38.0 360:25.0 361:38.0 362:69.0 364:53.0 365:43.0 366:47.0 368:27.0 369:36.0 370:37.0 371:50.0 372:20.0 374:40.0 375:34.0 376:38.0 379:23.0 380:22.0 382:35.0 384:26.0 385:22.0 386:13.0 387:21.0 389:19.0 390:22.0 394:39.0 395:29.0 396:24.0 397:35.0 400:30.0 401:24.0 402:21.0 403:37.0 404:25.0 406:37.0 407:25.0 408:26.0 409:17.0 410:48.0 414:18.0 416:16.0 422:20.0 426:36.0 433:24.0 434:38.0 435:37.0 437:24.0 440:22.0 441:26.0 445:46.0 447:29.0 449:40.0 451:11.0 452:44.0 453:39.0 454:57.0 455:37.0 456:25.0 457:44.0 458:28.0 459:27.0 461:56.0 462:40.0 463:41.0 466:35.0 468:37.0 470:30.0 471:17.0 473:18.0 477:26.0 478:17.0 480:11.0 481:27.0 482:22.0 484:48.0 486:28.0 487:19.0 491:22.0 492:18.0 494:31.0 497:23.0 499:25.0 135191 C00181 normalized intensity 4494.32 6613.46 7482.45 1636.06 2638.52 4875.04 valine 313502 144 3 85:2124.0 86:7630.0 87:1944.0 88:1239.0 89:198.0 90:140.0 92:81.0 94:103.0 95:66.0 96:941.0 97:782.0 98:2720.0 99:1558.0 100:41058.0 101:6555.0 102:3952.0 103:6374.0 104:899.0 105:633.0 110:1390.0 111:263.0 112:2218.0 113:1055.0 114:6510.0 115:2943.0 116:1153.0 117:4102.0 118:1273.0 119:1387.0 120:34.0 121:95.0 122:89.0 123:66.0 124:112.0 125:82.0 126:230.0 128:5308.0 129:3668.0 130:4722.0 131:5210.0 132:8091.0 133:9781.0 134:1607.0 135:73.0 139:40.0 140:117.0 141:133.0 142:2087.0 143:1279.0 144:224917.0 145:29590.0 146:11099.0 147:45446.0 148:7550.0 149:4466.0 150:414.0 155:26.0 156:4524.0 157:783.0 158:944.0 159:1039.0 160:998.0 161:282.0 162:98.0 163:804.0 164:39.0 165:79.0 166:20.0 167:15.0 170:15.0 171:60.0 172:145.0 173:89.0 174:897.0 175:278.0 180:20.0 186:53.0 188:101.0 195:23.0 200:29.0 201:57.0 202:231.0 203:1515.0 204:150.0 205:131.0 212:25.0 214:41.0 215:32.0 216:75.0 218:30778.0 219:7053.0 220:2659.0 221:383.0 222:79.0 224:11.0 227:21.0 228:488.0 240:23.0 246:1200.0 247:282.0 248:110.0 260:54.0 261:24.0 270:21.0 273:18.0 274:30.0 289:16.0 299:18.0 306:21.0 318:28.0 347:15.0 354:36.0 359:23.0 360:23.0 363:25.0 364:19.0 366:27.0 368:18.0 375:23.0 385:25.0 390:17.0 391:26.0 403:18.0 408:28.0 424:15.0 448:14.0 454:21.0 459:17.0 474:16.0 482:20.0 486:21.0 496:31.0 6287 C00183 normalized intensity 157701.92 119961.15 142154.56 295760.78 325656.83 278648.49 uridine-5'-monophosphate 980179 169 110201 85:181.0 86:102.0 89:98.0 91:27.0 92:64.0 95:163.0 96:233.0 97:296.0 98:98.0 99:1333.0 100:643.0 101:445.0 102:191.0 104:48.0 105:80.0 106:26.0 107:19.0 109:60.0 111:97.0 112:52.0 113:423.0 114:59.0 115:243.0 116:207.0 117:146.0 118:23.0 119:100.0 120:30.0 121:64.0 122:64.0 123:64.0 124:80.0 125:118.0 126:268.0 127:216.0 128:77.0 129:1025.0 130:211.0 131:419.0 133:973.0 134:83.0 135:233.0 137:91.0 139:42.0 140:208.0 141:201.0 142:196.0 143:300.0 144:57.0 145:58.0 147:2194.0 148:550.0 149:354.0 150:70.0 151:113.0 152:24.0 153:225.0 154:129.0 155:89.0 156:57.0 157:88.0 158:64.0 159:37.0 161:42.0 162:31.0 166:40.0 167:318.0 168:442.0 169:4974.0 170:570.0 171:561.0 172:69.0 173:35.0 175:29.0 177:42.0 178:32.0 179:20.0 180:30.0 181:151.0 182:39.0 183:211.0 184:141.0 185:561.0 186:105.0 191:105.0 193:67.0 195:125.0 196:238.0 197:102.0 205:41.0 207:193.0 208:29.0 209:90.0 210:38.0 211:932.0 212:109.0 213:89.0 215:280.0 216:41.0 217:171.0 220:18.0 221:49.0 222:40.0 223:32.0 224:24.0 225:198.0 226:51.0 227:206.0 228:19.0 229:32.0 230:319.0 231:78.0 232:31.0 233:21.0 234:19.0 235:42.0 236:19.0 237:42.0 238:17.0 239:69.0 241:439.0 242:110.0 243:534.0 244:118.0 245:43.0 251:22.0 253:31.0 255:170.0 256:223.0 257:496.0 258:509.0 259:164.0 267:51.0 268:15.0 269:34.0 281:47.0 284:46.0 285:141.0 287:17.0 297:29.0 299:1155.0 300:282.0 301:172.0 302:34.0 305:17.0 311:57.0 314:95.0 315:1284.0 316:290.0 317:152.0 323:20.0 324:38.0 327:25.0 337:30.0 343:31.0 351:40.0 352:774.0 353:227.0 354:93.0 358:24.0 359:20.0 366:18.0 369:36.0 370:28.0 372:25.0 373:28.0 375:29.0 386:25.0 387:121.0 388:48.0 389:46.0 395:21.0 403:15.0 412:25.0 418:15.0 419:29.0 424:45.0 439:16.0 450:16.0 477:23.0 478:18.0 479:22.0 485:44.0 487:21.0 488:23.0 6030 normalized intensity 97732.62 77810.06 90785.98 47466.04 85937.30 43056.58 uridine 856709 224 4705 85:3400.0 86:2032.0 87:2033.0 88:833.0 89:4255.0 90:331.0 91:52.0 92:133.0 93:460.0 94:986.0 95:954.0 96:3055.0 97:2191.0 98:2262.0 99:22400.0 100:12813.0 101:9196.0 102:3886.0 103:26772.0 104:2353.0 105:1631.0 106:284.0 107:23.0 108:453.0 109:659.0 110:906.0 111:2680.0 112:1258.0 113:6338.0 114:1321.0 115:5904.0 116:4089.0 117:10224.0 118:1211.0 119:1686.0 120:424.0 121:176.0 122:293.0 123:108.0 124:992.0 125:1154.0 126:4324.0 127:2505.0 128:1142.0 129:15966.0 130:3954.0 131:6736.0 132:2135.0 133:14295.0 134:2023.0 135:1746.0 136:280.0 137:264.0 138:827.0 139:482.0 140:3142.0 141:2240.0 142:2137.0 143:9234.0 144:1590.0 145:4290.0 146:494.0 147:48291.0 148:10617.0 149:7293.0 150:1371.0 151:601.0 152:461.0 153:5138.0 154:2231.0 155:2309.0 156:1455.0 157:3027.0 158:831.0 159:1372.0 160:229.0 161:391.0 162:94.0 163:1397.0 164:274.0 165:155.0 166:373.0 167:5125.0 168:6221.0 169:36539.0 170:5888.0 171:3995.0 172:596.0 173:1122.0 174:1026.0 175:781.0 176:183.0 177:845.0 178:211.0 179:252.0 180:229.0 181:531.0 182:608.0 183:3615.0 184:1480.0 185:7177.0 186:1090.0 187:8.0 188:107.0 189:2009.0 190:535.0 191:5454.0 192:1177.0 193:947.0 194:265.0 195:756.0 196:7434.0 197:1846.0 198:650.0 199:341.0 200:147.0 201:660.0 202:293.0 203:1696.0 204:2026.0 205:562.0 206:317.0 207:516.0 208:331.0 209:1143.0 210:533.0 211:703.0 212:301.0 213:729.0 214:225.0 215:3775.0 216:1121.0 217:49747.0 218:13727.0 219:5455.0 220:1201.0 221:681.0 222:160.0 223:291.0 224:20914.0 225:4019.0 226:1397.0 227:571.0 228:174.0 229:888.0 230:3538.0 231:1932.0 232:557.0 233:181.0 234:65.0 235:136.0 236:170.0 237:217.0 238:245.0 239:541.0 240:241.0 241:15787.0 242:3691.0 243:23273.0 244:5655.0 245:25912.0 246:5999.0 247:2562.0 248:500.0 249:73.0 250:62.0 251:121.0 252:23.0 253:130.0 254:47.0 255:2259.0 256:1451.0 257:16067.0 258:20125.0 259:11132.0 260:3154.0 261:1192.0 262:260.0 263:764.0 264:129.0 265:383.0 267:241.0 269:319.0 270:314.0 271:285.0 272:67.0 273:36.0 274:89.0 275:36.0 276:26.0 277:5.0 278:22.0 280:6.0 282:80.0 283:870.0 284:329.0 285:1402.0 286:1379.0 287:501.0 288:210.0 289:62.0 290:48.0 291:136.0 292:15.0 293:49.0 294:17.0 295:97.0 296:9.0 297:195.0 298:183.0 299:1529.0 300:487.0 301:185.0 302:74.0 303:94.0 304:60.0 305:149.0 306:68.0 307:44.0 309:60.0 310:135.0 311:1114.0 312:379.0 313:959.0 314:1873.0 315:7706.0 316:2080.0 317:1023.0 318:243.0 319:422.0 320:80.0 321:60.0 322:7.0 323:419.0 324:192.0 325:68.0 326:147.0 327:92.0 328:5.0 329:199.0 330:241.0 331:118.0 332:87.0 333:249.0 334:10.0 335:14.0 337:263.0 338:66.0 339:493.0 340:127.0 341:137.0 343:16.0 344:20.0 345:1.0 347:47.0 348:2605.0 349:977.0 350:476.0 351:135.0 352:230.0 353:105.0 355:75.0 356:28.0 357:20.0 358:3.0 359:85.0 361:102.0 362:16.0 363:20.0 367:15.0 368:6.0 369:316.0 370:183.0 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163:96.0 168:28.0 170:214.0 171:249.0 172:78.0 175:33.0 177:60.0 184:254.0 186:170.0 187:30.0 188:1.0 189:1390.0 190:239.0 191:807.0 192:173.0 199:50.0 201:192.0 203:352.0 204:1100.0 205:2227.0 206:389.0 207:148.0 211:6.0 216:1.0 217:5564.0 218:1297.0 219:501.0 220:120.0 221:136.0 223:16.0 224:117.0 228:1.0 229:104.0 230:12.0 231:45.0 233:16.0 234:26.0 239:7.0 243:251.0 244:59.0 245:4.0 246:1.0 251:165.0 277:387.0 278:34.0 279:2.0 297:7.0 299:30.0 302:17.0 305:61.0 307:471.0 308:88.0 309:19.0 317:81.0 319:760.0 320:194.0 321:144.0 322:1.0 332:138.0 349:39.0 827 C00474 normalized intensity 17570.49 4752.74 19680.79 36397.02 33563.54 34242.25 pyruvic acid 211668 174 583 86:1271.0 87:3393.0 88:4939.0 89:36864.0 90:3575.0 91:1545.0 99:11670.0 100:9133.0 101:3760.0 102:2314.0 111:260.0 112:118.0 114:1389.0 115:16515.0 116:2607.0 117:44546.0 118:6205.0 119:2711.0 128:303.0 129:840.0 131:2446.0 133:6730.0 143:730.0 144:225.0 145:87.0 149:5066.0 150:761.0 154:28.0 157:97.0 158:2571.0 159:990.0 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256:884.0 257:163.0 258:87.0 260:3.0 261:4.0 263:3.0 266:33.0 276:17.0 282:591.0 283:33.0 288:5.0 299:3.0 305:8.0 315:2.0 331:60.0 332:16.0 335:193.0 336:7556.0 337:1641.0 338:803.0 339:121.0 347:6.0 351:317.0 352:85.0 353:19.0 374:3.0 398:4.0 401:6.0 403:11.0 410:12.0 414:12.0 438:8.0 452:5.0 457:2.0 460:2.0 470:8.0 478:3.0 481:1.0 488:4.0 1023 C00013 normalized intensity 1477029.58 1398648.77 1485793.23 494981.82 574097.18 360511.10 pyridoxal-5-phosphate 825754 219 2550 85:121.0 86:151.0 87:95.0 89:490.0 92:50.0 93:112.0 94:71.0 95:48.0 98:3.0 99:33.0 101:334.0 103:1039.0 104:41.0 105:53.0 106:71.0 108:17.0 109:75.0 110:61.0 111:50.0 113:43.0 114:19.0 115:106.0 116:225.0 117:564.0 118:156.0 119:400.0 120:308.0 121:98.0 122:21.0 123:67.0 127:125.0 129:656.0 131:585.0 133:994.0 134:219.0 135:190.0 136:63.0 137:92.0 143:133.0 145:410.0 146:66.0 147:2341.0 148:11.0 149:325.0 150:198.0 151:114.0 152:18.0 153:75.0 155:41.0 156:1601.0 157:401.0 158:144.0 159:57.0 160:23.0 161:41.0 162:19.0 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417:1.0 419:8.0 421:6.0 426:46.0 429:58.0 430:5.0 432:13.0 441:30.0 446:20.0 449:6.0 459:13.0 461:166.0 462:39.0 463:3.0 464:7.0 466:4.0 471:25.0 477:13.0 483:18.0 485:3.0 486:1.0 489:16.0 495:28.0 497:26.0 499:7.0 1051 C00018 normalized intensity 5963.46 5668.68 6329.39 2076.27 1280.11 1772.38 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 1045 C00138 normalized intensity 858071.80 383213.55 426330.14 334206.68 266799.13 362087.21 proline 364523 142 85:1055.0 86:1908.0 87:916.0 88:634.0 95:165.0 96:356.0 97:345.0 99:1005.0 100:3118.0 101:1393.0 103:251.0 106:185.0 107:211.0 108:134.0 113:1037.0 114:294.0 115:1417.0 118:96.0 121:64.0 126:275.0 128:58.0 131:365.0 133:1875.0 140:1177.0 142:96461.0 143:13706.0 144:4081.0 145:234.0 147:1734.0 148:505.0 155:204.0 170:1119.0 174:120.0 175:34.0 176:111.0 181:141.0 184:74.0 196:36.0 204:70.0 215:33.0 216:2269.0 217:809.0 218:458.0 230:99.0 244:377.0 256:31.0 275:25.0 302:25.0 317:34.0 347:29.0 390:25.0 145742 C00148 normalized intensity 116168.00 74531.18 96493.49 201761.85 243991.99 313551.91 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 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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 9378 C03672 normalized intensity 7095.93 6192.78 2326.06 7990.63 7754.90 8047.09 phosphoethanolamine 603912 299 1723 85:20.0 86:924.0 87:173.0 88:41.0 90:8.0 91:76.0 95:36.0 96:1.0 97:39.0 99:9.0 100:4477.0 101:327.0 102:26.0 107:64.0 109:53.0 113:35.0 114:2019.0 115:1275.0 116:271.0 117:260.0 119:44.0 120:5.0 123:18.0 129:2.0 130:467.0 131:202.0 132:82.0 133:763.0 134:65.0 135:351.0 136:14.0 137:122.0 140:1.0 143:21.0 144:14.0 146:1.0 147:618.0 148:30.0 151:53.0 158:77.0 160:1.0 161:3.0 162:9.0 163:5.0 164:2.0 165:27.0 167:7.0 171:18.0 172:2475.0 173:409.0 174:2663.0 175:353.0 176:157.0 179:10.0 181:67.0 182:1.0 183:20.0 184:62.0 185:5.0 187:173.0 188:1528.0 189:339.0 190:100.0 191:164.0 193:278.0 194:42.0 195:90.0 198:1.0 200:8.0 201:1.0 204:8.0 205:28.0 207:170.0 211:600.0 212:32.0 216:18.0 217:16.0 220:12.0 221:13.0 224:11.0 225:238.0 229:1.0 230:3.0 232:4.0 234:1.0 246:7.0 250:25.0 251:2.0 258:1.0 261:1.0 263:1.0 265:4.0 266:7.0 267:30.0 271:3.0 276:13.0 278:6.0 279:7.0 283:131.0 285:6.0 291:1.0 295:1.0 298:65.0 299:3203.0 300:791.0 301:337.0 302:28.0 311:7.0 314:219.0 315:436.0 316:99.0 317:16.0 323:12.0 328:376.0 329:37.0 330:2.0 346:1.0 352:5.0 367:1.0 376:5.0 381:6.0 410:3.0 414:70.0 416:2.0 418:4.0 434:1.0 471:1.0 477:1.0 479:1.0 485:4.0 487:1.0 500:5.0 1015 C00346 normalized intensity 83881.40 79137.72 99587.92 94181.50 74038.06 74406.32 phosphoenolpyruvate 518184 211 1685 85:722.0 87:475.0 88:135.0 89:540.0 91:470.0 92:190.0 93:453.0 94:75.0 95:114.0 98:478.0 99:505.0 100:235.0 101:256.0 102:52.0 103:1316.0 104:188.0 105:852.0 106:273.0 107:249.0 108:154.0 109:372.0 111:44.0 112:32.0 113:98.0 114:132.0 115:2290.0 116:478.0 117:879.0 118:282.0 119:1600.0 120:274.0 121:1440.0 122:140.0 123:412.0 124:34.0 126:75.0 128:64.0 129:1559.0 130:357.0 131:2281.0 132:277.0 133:13459.0 134:1940.0 135:6709.0 136:843.0 137:2395.0 138:223.0 139:203.0 140:2.0 141:176.0 142:323.0 143:381.0 144:136.0 145:245.0 147:28163.0 148:4670.0 149:2780.0 150:284.0 151:1366.0 152:154.0 153:321.0 154:36.0 155:55.0 156:6.0 157:124.0 158:21.0 159:158.0 160:21.0 161:460.0 162:52.0 163:161.0 164:1.0 165:595.0 166:105.0 167:634.0 168:105.0 169:112.0 170:4.0 171:301.0 172:58.0 173:93.0 176:11.0 177:328.0 178:42.0 179:583.0 180:104.0 181:2743.0 182:393.0 183:1047.0 184:10.0 185:106.0 186:2.0 188:84.0 189:3018.0 190:495.0 191:1767.0 192:343.0 193:1272.0 194:169.0 195:2688.0 196:437.0 197:750.0 198:73.0 199:321.0 200:87.0 201:173.0 202:12.0 203:97.0 204:25.0 205:117.0 206:20.0 207:2539.0 208:451.0 209:747.0 210:1854.0 211:18732.0 212:2828.0 213:2024.0 214:856.0 215:349.0 216:158.0 217:12422.0 218:2369.0 219:1048.0 220:77.0 221:293.0 222:87.0 223:459.0 224:122.0 225:4441.0 226:821.0 227:4392.0 228:650.0 229:406.0 230:26.0 231:29.0 232:14.0 233:14.0 235:3.0 237:215.0 238:832.0 239:197.0 240:103.0 241:43.0 242:115.0 243:3165.0 244:519.0 245:233.0 247:2.0 248:12.0 250:17.0 251:126.0 252:61.0 253:100.0 254:49.0 255:249.0 256:95.0 257:44.0 258:16.0 263:18.0 265:3.0 266:543.0 267:397.0 268:106.0 269:401.0 270:125.0 271:93.0 273:7.0 274:4.0 278:1.0 279:22.0 280:6.0 281:263.0 282:83.0 283:435.0 284:149.0 285:749.0 286:209.0 287:48.0 288:6.0 289:26.0 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92:639.0 93:1090.0 94:256.0 95:178.0 96:901.0 97:221.0 98:1216.0 99:626.0 100:3524.0 103:17906.0 104:4250.0 105:12326.0 106:1911.0 107:7514.0 108:751.0 109:2429.0 110:239.0 112:225.0 113:1044.0 114:607.0 115:23611.0 116:3246.0 117:2166.0 118:1082.0 119:15220.0 120:2183.0 121:11456.0 122:1330.0 123:5152.0 124:478.0 125:397.0 126:608.0 130:541.0 131:11922.0 132:2542.0 133:82619.0 134:12079.0 135:30184.0 136:3182.0 137:17801.0 138:1549.0 139:1516.0 140:106.0 141:38.0 143:303.0 144:110.0 145:852.0 146:352.0 147:11829.0 148:2149.0 149:2002.0 150:962.0 151:12734.0 152:1341.0 153:2065.0 154:229.0 155:225.0 157:186.0 161:725.0 162:345.0 163:2689.0 164:611.0 165:6169.0 166:1281.0 167:5995.0 168:802.0 169:702.0 170:270.0 171:601.0 172:427.0 173:309.0 174:8375.0 175:1438.0 176:1170.0 177:3097.0 178:1271.0 179:3751.0 180:1142.0 181:17093.0 182:2582.0 183:6047.0 184:1278.0 185:815.0 186:332.0 187:214.0 188:347.0 189:5568.0 190:1226.0 191:21424.0 192:4536.0 193:26195.0 194:4803.0 195:6376.0 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338:46.0 341:66.0 343:26.0 350:26.0 354:47.0 358:95.0 360:89.0 361:46.0 363:33.0 364:27.0 372:92.0 374:78.0 375:97.0 377:18.0 380:30.0 382:39.0 386:28.0 387:35.0 392:36.0 394:38.0 398:32.0 414:36.0 416:26.0 418:25.0 421:47.0 423:39.0 426:18.0 444:39.0 447:43.0 449:37.0 451:28.0 455:23.0 457:16.0 461:39.0 469:37.0 472:26.0 477:6.0 483:38.0 487:24.0 489:50.0 491:50.0 492:51.0 493:66.0 497:45.0 499:49.0 500:21.0 1004 C00009 normalized intensity 1709611.43 1234865.75 1647361.49 1934052.67 1485427.11 1021395.24 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 6140 C00079 normalized intensity 546443.49 460718.30 465986.72 652969.67 651204.87 812130.33 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 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13966.31 17655.86 23383.65 14060.10 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 8158 C01601 normalized intensity 13342.75 9400.06 12299.00 16918.47 16592.65 12960.79 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 6613 C12276 normalized intensity 67871.88 55219.88 58647.73 56708.31 50215.16 53530.28 palmitoleic acid 704511 311 31379 85:95.0 86:95.0 89:132.0 91:227.0 92:75.0 93:348.0 94:171.0 95:893.0 96:1339.0 97:784.0 98:663.0 99:107.0 101:129.0 103:146.0 105:89.0 107:131.0 109:362.0 110:406.0 111:217.0 112:50.0 115:92.0 116:450.0 117:7088.0 118:479.0 119:360.0 120:51.0 121:116.0 122:41.0 123:218.0 124:151.0 126:42.0 129:2986.0 130:332.0 131:398.0 132:473.0 133:198.0 134:90.0 137:123.0 138:51.0 143:53.0 145:807.0 146:119.0 151:91.0 152:234.0 153:42.0 155:232.0 159:175.0 165:16.0 167:23.0 169:76.0 171:146.0 172:24.0 173:67.0 183:20.0 185:327.0 186:47.0 187:38.0 192:99.0 193:64.0 194:185.0 195:34.0 198:40.0 199:246.0 205:104.0 208:49.0 209:16.0 213:59.0 215:45.0 219:42.0 220:24.0 224:13.0 227:23.0 235:22.0 236:137.0 237:23.0 242:21.0 244:26.0 245:20.0 248:13.0 253:15.0 256:21.0 258:20.0 261:16.0 263:22.0 268:34.0 269:19.0 270:13.0 274:22.0 283:25.0 299:15.0 308:36.0 311:264.0 312:88.0 327:11.0 328:19.0 342:20.0 345:29.0 346:15.0 347:13.0 371:17.0 372:25.0 375:15.0 379:17.0 396:13.0 416:15.0 420:19.0 424:13.0 426:13.0 428:23.0 488:15.0 489:16.0 494:23.0 499:15.0 445638 C08362 normalized intensity 1796.94 3646.85 4320.25 7021.98 5362.44 8759.81 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 99:4528.0 100:714.0 101:2700.0 102:872.0 103:543.0 105:5528.0 106:406.0 107:1555.0 108:180.0 109:2908.0 110:516.0 111:3724.0 112:1696.0 113:834.0 114:115.0 115:1629.0 116:11477.0 117:187825.0 118:18078.0 119:7322.0 120:225.0 121:1203.0 122:69.0 123:876.0 124:284.0 125:785.0 126:665.0 127:1046.0 128:874.0 129:85186.0 130:10537.0 131:29280.0 132:63732.0 133:12286.0 134:2792.0 135:1095.0 136:18.0 137:184.0 138:79.0 139:360.0 140:397.0 141:366.0 142:251.0 143:5894.0 144:548.0 145:34708.0 146:3903.0 147:1102.0 149:118.0 150:88.0 151:91.0 153:268.0 154:485.0 155:492.0 156:133.0 157:1550.0 158:290.0 159:2960.0 160:496.0 161:172.0 167:306.0 168:201.0 169:235.0 171:2833.0 172:309.0 173:923.0 174:523.0 175:123.0 177:125.0 180:41.0 181:281.0 182:321.0 183:116.0 184:72.0 185:3833.0 186:643.0 187:2450.0 188:684.0 189:189.0 190:75.0 191:117.0 192:33.0 195:534.0 196:154.0 197:77.0 198:60.0 199:878.0 200:221.0 201:5814.0 202:897.0 203:262.0 204:56.0 205:82.0 206:12.0 207:95.0 209:167.0 210:77.0 211:83.0 213:781.0 214:135.0 215:704.0 216:260.0 218:43.0 219:121.0 225:8.0 226:45.0 227:836.0 228:131.0 229:970.0 230:260.0 231:66.0 232:63.0 233:50.0 237:86.0 238:74.0 239:120.0 241:521.0 242:174.0 243:1204.0 244:298.0 245:119.0 255:146.0 256:61.0 257:536.0 258:194.0 269:1449.0 270:456.0 271:471.0 272:143.0 273:123.0 274:69.0 276:39.0 283:255.0 285:1333.0 286:374.0 287:77.0 291:38.0 298:25.0 299:202.0 300:49.0 301:74.0 304:53.0 311:65.0 312:749.0 313:22319.0 314:6366.0 315:1513.0 316:230.0 327:92.0 328:1505.0 329:376.0 330:125.0 332:25.0 353:30.0 358:23.0 375:50.0 382:31.0 388:56.0 398:45.0 399:36.0 400:24.0 408:48.0 420:45.0 421:25.0 425:20.0 442:30.0 458:35.0 459:30.0 461:31.0 466:39.0 474:39.0 493:42.0 985 C00249 normalized intensity 236248.79 220739.31 279694.88 439590.07 346608.37 368205.29 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 7405 C01879 normalized intensity 2989379.83 2352717.07 2660049.31 2320258.28 2316155.74 2544883.92 orotic acid 586317 254 18492 86:145.0 93:50.0 97:74.0 99:33.0 100:658.0 101:27.0 117:39.0 124:23.0 131:210.0 132:36.0 133:51.0 140:16.0 147:494.0 153:16.0 158:39.0 167:49.0 174:219.0 214:30.0 225:13.0 226:22.0 239:84.0 246:15.0 253:160.0 254:1313.0 255:366.0 256:147.0 257:19.0 269:169.0 270:80.0 271:22.0 282:29.0 298:15.0 313:14.0 328:15.0 336:13.0 356:52.0 357:395.0 358:187.0 359:82.0 360:19.0 371:27.0 372:28.0 397:15.0 400:22.0 407:18.0 432:18.0 446:15.0 457:13.0 464:12.0 967 C00295 normalized intensity 1696.23 1559.38 1918.45 3454.69 3279.08 2987.67 ornithine 619196 142 171971 85:723.0 86:2210.0 89:192.0 90:259.0 92:74.0 94:128.0 98:578.0 99:450.0 100:4187.0 101:103.0 102:1982.0 109:83.0 110:315.0 112:594.0 113:282.0 114:353.0 115:942.0 116:608.0 117:820.0 124:182.0 128:1141.0 130:499.0 131:1201.0 132:341.0 139:77.0 140:373.0 142:24823.0 143:2656.0 144:1067.0 147:2495.0 148:904.0 153:99.0 155:113.0 158:106.0 160:217.0 169:314.0 170:137.0 172:1044.0 173:40.0 174:7343.0 175:1393.0 176:953.0 186:474.0 187:338.0 188:251.0 189:317.0 191:193.0 200:1213.0 201:343.0 202:261.0 214:153.0 216:672.0 217:318.0 218:400.0 219:125.0 220:157.0 229:59.0 241:57.0 245:52.0 248:66.0 249:30.0 258:325.0 259:438.0 260:122.0 265:43.0 282:33.0 287:80.0 303:101.0 304:67.0 315:37.0 368:23.0 379:23.0 384:30.0 387:39.0 393:32.0 406:66.0 420:303.0 88747248 C00077 normalized intensity 40694.69 44113.25 41497.29 54228.35 57277.64 59670.17 O-phosphoserine 624355 356 131114 86:646.0 87:249.0 88:784.0 90:47.0 91:288.0 95:49.0 97:81.0 98:83.0 99:170.0 100:2785.0 102:188.0 105:202.0 109:78.0 112:220.0 114:1266.0 115:776.0 116:2162.0 119:187.0 121:192.0 123:58.0 130:183.0 131:221.0 132:97.0 133:1765.0 134:438.0 135:527.0 136:33.0 137:366.0 140:92.0 142:114.0 144:944.0 146:71.0 147:1702.0 148:404.0 151:143.0 153:40.0 165:105.0 167:20.0 172:222.0 174:140.0 178:75.0 179:51.0 181:396.0 183:75.0 188:867.0 193:351.0 194:142.0 195:438.0 196:43.0 197:121.0 207:383.0 208:103.0 209:66.0 211:1409.0 212:246.0 213:155.0 216:869.0 225:343.0 227:200.0 232:638.0 234:24.0 235:33.0 241:80.0 242:36.0 243:27.0 252:26.0 257:45.0 268:93.0 269:69.0 271:18.0 283:147.0 284:134.0 285:106.0 286:41.0 287:45.0 298:187.0 299:3950.0 300:1029.0 301:488.0 302:79.0 303:31.0 306:16.0 311:21.0 313:54.0 314:225.0 315:785.0 316:186.0 317:113.0 318:38.0 328:193.0 336:24.0 338:20.0 339:18.0 340:72.0 355:164.0 356:2944.0 357:1051.0 358:516.0 359:116.0 373:20.0 458:47.0 459:15.0 473:24.0 57689797 C01005 normalized intensity 1537.27 1167.55 1106.22 3631.18 1550.57 2441.49 oleic acid 781527 339 1677 85:2028.0 86:501.0 87:461.0 88:450.0 89:1770.0 90:92.0 91:1724.0 92:699.0 93:3684.0 94:1752.0 95:9636.0 96:12465.0 97:7980.0 98:8467.0 99:2044.0 100:150.0 101:659.0 103:66.0 104:2.0 105:1947.0 106:375.0 107:2215.0 108:1397.0 109:5311.0 110:4593.0 111:3398.0 112:1687.0 113:484.0 115:472.0 116:3914.0 117:40886.0 118:4347.0 119:3142.0 120:338.0 121:1983.0 122:672.0 123:2961.0 124:1887.0 125:1309.0 126:423.0 127:149.0 128:199.0 129:34074.0 130:4331.0 131:8342.0 132:8444.0 133:3782.0 134:1224.0 135:1378.0 136:332.0 137:1872.0 138:1600.0 139:640.0 140:137.0 141:288.0 142:9.0 143:2049.0 144:325.0 145:12234.0 146:1557.0 147:594.0 148:449.0 149:672.0 150:235.0 151:1059.0 152:1846.0 153:446.0 154:7.0 155:1030.0 156:213.0 157:960.0 158:189.0 159:878.0 161:382.0 162:178.0 163:245.0 164:183.0 165:658.0 166:865.0 167:403.0 168:187.0 169:805.0 170:310.0 171:1760.0 172:337.0 173:720.0 175:256.0 176:52.0 177:170.0 178:25.0 179:379.0 180:1377.0 181:387.0 182:57.0 183:1061.0 184:132.0 185:2870.0 186:398.0 187:515.0 188:360.0 189:216.0 190:42.0 191:73.0 192:2.0 193:348.0 194:140.0 195:146.0 196:23.0 197:188.0 198:50.0 199:3027.0 200:597.0 201:687.0 204:18.0 207:273.0 208:130.0 209:124.0 211:148.0 212:5.0 213:539.0 214:131.0 215:132.0 216:92.0 217:26.0 220:262.0 221:482.0 222:1212.0 223:262.0 224:32.0 225:65.0 227:560.0 228:139.0 229:201.0 230:48.0 231:50.0 234:25.0 235:218.0 236:277.0 237:47.0 238:14.0 239:153.0 240:6.0 241:476.0 242:97.0 243:77.0 246:114.0 248:26.0 250:10.0 252:52.0 254:43.0 255:256.0 256:55.0 257:153.0 258:92.0 264:1039.0 265:255.0 267:42.0 269:124.0 271:93.0 272:93.0 273:23.0 277:2.0 281:102.0 283:7.0 286:23.0 292:3.0 295:170.0 296:6.0 297:56.0 298:15.0 309:23.0 310:18.0 311:121.0 312:33.0 323:12.0 324:56.0 325:1.0 338:130.0 339:4680.0 340:1394.0 341:359.0 342:9.0 343:1.0 354:431.0 355:46.0 358:302.0 359:98.0 360:102.0 361:16.0 374:13.0 390:10.0 422:1.0 462:6.0 445639 C00712 normalized intensity 7922.32 7573.15 8020.61 11818.58 7252.61 15000.81 oleamide NIST 849710 144 20961 85:426.0 86:402.0 87:144.0 89:353.0 90:711.0 91:1369.0 92:194.0 93:400.0 94:235.0 95:556.0 96:526.0 97:627.0 98:214.0 99:199.0 100:1197.0 101:249.0 102:259.0 104:85.0 105:184.0 106:90.0 107:124.0 108:222.0 109:239.0 110:336.0 111:154.0 113:111.0 114:132.0 115:2827.0 116:11090.0 117:1116.0 118:448.0 119:161.0 120:59.0 121:55.0 122:381.0 123:147.0 124:172.0 125:88.0 126:316.0 127:230.0 128:10813.0 129:1513.0 130:1017.0 131:15183.0 132:1523.0 133:646.0 134:92.0 135:85.0 136:279.0 137:96.0 138:70.0 139:73.0 140:126.0 141:24.0 142:1006.0 143:186.0 144:10128.0 145:1593.0 146:433.0 147:258.0 148:135.0 151:91.0 152:98.0 153:44.0 154:230.0 155:142.0 156:240.0 157:149.0 158:962.0 159:164.0 160:109.0 162:32.0 163:55.0 164:79.0 165:60.0 167:55.0 168:109.0 169:188.0 170:501.0 171:142.0 172:240.0 173:149.0 176:49.0 180:52.0 182:158.0 184:1169.0 185:228.0 186:431.0 187:150.0 188:43.0 193:36.0 195:18.0 196:83.0 198:1370.0 199:222.0 200:647.0 201:101.0 202:32.0 203:44.0 207:99.0 208:34.0 209:49.0 210:125.0 212:305.0 213:104.0 214:117.0 215:70.0 216:42.0 220:63.0 222:31.0 224:110.0 226:448.0 227:105.0 228:103.0 229:48.0 238:193.0 240:323.0 241:85.0 242:54.0 243:36.0 251:14.0 252:191.0 254:257.0 258:18.0 260:48.0 261:16.0 262:19.0 266:59.0 268:173.0 269:64.0 270:75.0 282:115.0 283:50.0 291:25.0 293:16.0 294:44.0 296:54.0 297:31.0 298:47.0 299:49.0 305:29.0 308:29.0 311:55.0 317:33.0 322:21.0 337:66.0 338:848.0 339:307.0 340:69.0 353:248.0 354:157.0 355:71.0 364:33.0 368:16.0 373:19.0 386:34.0 394:30.0 395:34.0 402:16.0 404:32.0 405:13.0 407:24.0 412:16.0 417:40.0 422:41.0 433:27.0 436:38.0 440:36.0 441:12.0 443:30.0 448:29.0 449:46.0 454:26.0 459:32.0 462:35.0 468:39.0 473:37.0 474:25.0 475:25.0 477:19.0 478:45.0 482:48.0 486:43.0 5283387 C19670 normalized intensity 6693.10 4046.64 4182.72 7283.66 5552.57 8622.02 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 3681 C13858 normalized intensity 19867.01 15318.36 14467.60 15549.17 15585.03 5632.37 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 normalized intensity 5349.34 2415.65 2339.01 3211.26 2589.71 2652.62 nicotinamide 471602 179 84542 86:209.0 89:162.0 90:198.0 92:127.0 93:263.0 94:195.0 100:836.0 102:136.0 103:220.0 104:2595.0 105:4174.0 106:810.0 108:61.0 119:174.0 120:170.0 122:157.0 123:39.0 135:126.0 136:6136.0 137:808.0 138:240.0 139:45.0 148:164.0 150:54.0 151:55.0 161:87.0 163:218.0 164:32.0 165:80.0 166:33.0 175:86.0 178:33.0 179:15388.0 180:2109.0 181:675.0 182:48.0 193:1190.0 194:529.0 195:117.0 936 C00153 normalized intensity 21843.64 24903.40 24299.02 38022.94 33109.04 44655.49 N-carbamoylaspartate 611345 257 106743 85:289.0 86:203.0 87:242.0 89:488.0 91:478.0 92:20.0 93:91.0 96:273.0 98:129.0 99:387.0 100:2950.0 101:2993.0 102:397.0 103:839.0 104:56.0 105:432.0 106:62.0 107:135.0 113:85.0 114:106.0 115:460.0 116:842.0 117:709.0 118:198.0 119:799.0 120:61.0 121:56.0 126:31.0 127:162.0 128:73.0 129:185.0 131:1148.0 132:209.0 133:2939.0 134:386.0 135:653.0 137:114.0 141:17.0 142:72.0 143:978.0 144:172.0 145:145.0 147:10649.0 148:1769.0 149:1085.0 151:132.0 156:64.0 158:372.0 160:1459.0 161:175.0 162:132.0 163:70.0 169:34.0 174:611.0 175:92.0 177:80.0 179:69.0 181:125.0 183:94.0 188:30.0 189:298.0 190:187.0 191:434.0 192:47.0 193:1057.0 194:112.0 195:236.0 197:54.0 206:34.0 207:572.0 208:155.0 209:46.0 211:2154.0 212:243.0 213:148.0 217:1053.0 218:123.0 219:24.0 225:144.0 227:1796.0 228:217.0 229:92.0 237:30.0 241:115.0 242:19.0 243:112.0 244:54.0 255:49.0 257:3273.0 258:461.0 259:194.0 265:28.0 267:316.0 268:67.0 285:119.0 299:2574.0 300:510.0 301:161.0 315:567.0 316:60.0 317:751.0 318:166.0 319:70.0 328:41.0 341:67.0 357:991.0 358:261.0 359:677.0 360:160.0 361:77.0 370:37.0 373:15.0 374:124.0 387:315.0 388:87.0 459:157.0 460:26.0 461:17.0 93072 C00438 normalized intensity 6974.48 3224.18 6150.00 8364.90 7363.44 4834.40 N-acetylputrescine 595523 174 87301 85:3862.0 86:56152.0 87:6678.0 88:3311.0 89:518.0 90:72.0 93:1.0 94:49.0 95:146.0 96:2586.0 97:481.0 98:2104.0 99:2411.0 100:32618.0 101:5452.0 102:5394.0 103:1640.0 104:582.0 105:212.0 109:26.0 110:423.0 111:415.0 112:6397.0 113:2161.0 114:2504.0 115:2578.0 116:5494.0 117:3889.0 118:1034.0 119:497.0 120:23.0 122:1872.0 123:114.0 124:123.0 125:23.0 126:826.0 127:360.0 128:3154.0 129:1963.0 130:9631.0 131:4641.0 132:3486.0 133:2776.0 134:455.0 135:160.0 139:28.0 140:331.0 141:613.0 142:6290.0 143:1310.0 144:3739.0 145:1639.0 146:5636.0 147:13712.0 148:2387.0 149:1249.0 150:95.0 151:52.0 152:95.0 153:178.0 154:87.0 155:227.0 156:530.0 157:148.0 158:1426.0 159:362.0 160:399.0 161:186.0 162:42.0 163:8.0 165:15.0 166:12.0 168:58.0 169:390.0 170:933.0 171:440.0 172:2411.0 173:4506.0 174:103273.0 175:19468.0 176:9854.0 177:1238.0 178:270.0 182:6.0 183:119.0 184:176.0 185:326.0 186:440.0 187:142.0 188:125.0 189:62.0 190:98.0 191:80.0 197:212.0 198:27.0 199:52.0 200:332.0 201:5345.0 202:1116.0 203:326.0 207:1.0 212:49.0 214:40.0 215:108.0 216:456.0 217:2863.0 218:1472.0 219:315.0 220:28.0 232:173.0 233:18.0 241:2.0 243:188.0 244:13.0 245:25.0 257:29.0 259:3514.0 260:786.0 261:233.0 274:261.0 275:41.0 450:12.0 451:2.0 453:7.0 122356 C02714 normalized intensity 2221.49 2340.07 2491.49 2947.55 2851.02 3069.95 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 70914 C00624 normalized intensity 12096.74 13194.10 14242.36 7264.39 2374.16 5664.09 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 65065 C01042 normalized intensity 324521.82 248895.73 402947.99 75590.46 77816.37 140437.43 N-methyl-UMP 975846 169 106699 85:9156.0 86:2635.0 87:3866.0 88:925.0 89:5531.0 90:847.0 91:2003.0 92:1802.0 93:1899.0 94:2387.0 95:5288.0 96:9287.0 97:23267.0 98:8008.0 99:40956.0 100:7157.0 101:20858.0 102:6484.0 103:13406.0 104:1732.0 105:3595.0 106:1542.0 107:1863.0 108:1720.0 109:15037.0 110:10305.0 111:9050.0 112:3767.0 113:24230.0 114:3937.0 115:17707.0 116:10858.0 117:9808.0 118:1395.0 119:6342.0 120:2437.0 121:3979.0 122:1936.0 123:1768.0 124:8804.0 125:6714.0 126:15157.0 127:15250.0 128:4515.0 129:67260.0 130:8929.0 131:18790.0 132:2688.0 133:59525.0 134:8312.0 135:16622.0 136:2462.0 137:5645.0 138:6291.0 139:3718.0 140:14320.0 141:10958.0 142:12512.0 143:28741.0 144:5120.0 145:4397.0 146:510.0 147:120377.0 148:38230.0 149:22442.0 150:2854.0 151:7986.0 152:1677.0 153:8087.0 154:4170.0 155:7686.0 156:3693.0 157:4277.0 158:1551.0 159:957.0 160:212.0 161:812.0 162:249.0 163:797.0 164:921.0 165:1505.0 166:881.0 167:6334.0 168:8719.0 169:408737.0 170:60092.0 171:45305.0 172:4686.0 173:2422.0 174:452.0 175:470.0 176:656.0 177:6839.0 178:897.0 179:1989.0 180:682.0 181:9222.0 182:3050.0 183:30856.0 184:5937.0 185:3614.0 186:1388.0 187:927.0 188:236.0 189:1321.0 190:332.0 191:4333.0 192:936.0 193:6010.0 194:1373.0 195:8279.0 196:2178.0 197:12265.0 198:10162.0 199:8168.0 200:1433.0 201:1122.0 202:491.0 203:482.0 204:1321.0 205:14397.0 206:1599.0 207:9683.0 208:1867.0 209:2344.0 210:1284.0 211:63203.0 212:10375.0 213:6231.0 214:803.0 215:36388.0 216:7453.0 217:19356.0 218:3334.0 219:1235.0 220:298.0 221:1267.0 222:1435.0 223:785.0 224:384.0 225:15685.0 226:3079.0 227:24508.0 228:3695.0 229:5442.0 230:40354.0 231:9308.0 232:3495.0 233:519.0 234:132.0 235:123.0 236:896.0 237:2455.0 238:595.0 239:615.0 240:2857.0 241:2724.0 242:784.0 243:35499.0 244:6936.0 245:3151.0 246:367.0 247:78.0 248:47.0 249:149.0 250:125.0 251:495.0 252:187.0 253:4221.0 254:840.0 255:1573.0 256:648.0 257:5460.0 258:9031.0 259:6919.0 260:1534.0 261:422.0 262:90.0 263:144.0 264:73.0 265:304.0 266:670.0 267:685.0 268:344.0 269:1303.0 270:447.0 271:910.0 272:156.0 273:183.0 277:103.0 278:116.0 279:4005.0 280:692.0 281:1023.0 282:267.0 283:1495.0 284:568.0 285:4842.0 286:963.0 287:515.0 288:118.0 289:88.0 292:32.0 293:184.0 294:7534.0 295:2443.0 296:581.0 297:1269.0 298:2213.0 299:56408.0 300:16984.0 301:9558.0 302:1534.0 303:394.0 304:102.0 305:200.0 306:182.0 307:194.0 308:212.0 309:293.0 310:208.0 311:521.0 312:227.0 313:2746.0 314:4316.0 315:138646.0 316:36634.0 317:20370.0 318:3301.0 319:818.0 320:130.0 321:441.0 322:93.0 323:19.0 324:40.0 326:28.0 327:256.0 328:3834.0 329:1777.0 330:619.0 331:146.0 335:140.0 340:44.0 341:1091.0 342:596.0 343:1134.0 344:342.0 345:175.0 346:51.0 348:35.0 349:35.0 350:22.0 351:275.0 352:104.0 353:58.0 354:81.0 355:217.0 356:388.0 357:407.0 358:151.0 359:65.0 362:14.0 366:47.0 367:209.0 368:84.0 369:3395.0 370:3770.0 371:3808.0 372:1031.0 373:1092.0 374:327.0 375:157.0 376:36.0 381:30.0 382:283.0 383:1838.0 384:599.0 385:394.0 386:260.0 387:1040.0 388:327.0 389:465.0 390:114.0 391:48.0 392:59.0 394:77.0 395:1147.0 396:342.0 397:178.0 400:41.0 408:38.0 409:51.0 410:205.0 411:853.0 412:304.0 413:259.0 414:139.0 415:44.0 417:20.0 418:43.0 419:34.0 421:49.0 425:42.0 426:29.0 428:49.0 429:63.0 432:47.0 433:19.0 435:39.0 441:17.0 442:134.0 443:43.0 451:13.0 457:49.0 484:55.0 485:1380.0 486:524.0 487:296.0 488:134.0 490:66.0 492:60.0 495:24.0 498:40.0 499:50.0 normalized intensity 2457526.08 2205676.54 2184729.46 1615352.56 1526903.14 2257408.22 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 11005 C06424 normalized intensity 14702.30 15802.68 18192.87 36354.42 24911.85 42143.62 myo-inositol 730022 305 1741 85:113.0 86:491.0 87:31.0 88:19.0 89:298.0 90:43.0 95:6.0 99:170.0 100:411.0 101:320.0 102:164.0 103:3399.0 104:366.0 105:2.0 107:22.0 108:49.0 109:262.0 111:243.0 112:149.0 113:176.0 114:90.0 115:187.0 116:296.0 117:1042.0 118:228.0 119:212.0 121:1.0 123:6.0 124:38.0 125:22.0 126:73.0 127:67.0 128:163.0 129:4240.0 130:611.0 131:1566.0 132:262.0 133:3203.0 134:572.0 135:421.0 136:43.0 138:92.0 139:9.0 140:9.0 142:100.0 143:992.0 144:486.0 145:176.0 147:12285.0 148:1910.0 149:1382.0 150:114.0 151:150.0 152:3.0 153:80.0 154:28.0 155:134.0 157:450.0 158:183.0 159:71.0 161:161.0 162:19.0 165:22.0 168:8.0 169:204.0 170:123.0 171:159.0 172:11.0 173:59.0 174:708.0 175:214.0 177:312.0 178:31.0 179:9.0 181:23.0 182:233.0 183:125.0 184:165.0 185:64.0 189:488.0 190:276.0 191:5177.0 192:982.0 193:356.0 194:65.0 196:54.0 197:732.0 198:524.0 199:90.0 200:284.0 201:47.0 203:128.0 204:1900.0 205:544.0 206:210.0 207:117.0 208:190.0 209:44.0 210:51.0 211:40.0 212:15.0 214:11.0 215:101.0 216:5.0 217:8834.0 218:1837.0 219:969.0 220:74.0 221:785.0 222:165.0 223:125.0 224:40.0 226:190.0 227:115.0 228:140.0 229:48.0 230:117.0 231:157.0 232:21.0 233:1.0 236:4.0 239:56.0 240:36.0 241:98.0 242:8.0 243:275.0 244:82.0 245:10.0 246:20.0 254:17.0 255:20.0 256:6.0 257:11.0 264:22.0 265:1345.0 266:233.0 267:22.0 268:55.0 271:46.0 272:45.0 274:3.0 279:20.0 289:1.0 291:437.0 292:80.0 293:120.0 297:3.0 298:227.0 299:108.0 301:104.0 303:79.0 305:5040.0 306:1576.0 307:694.0 308:57.0 309:60.0 312:9.0 316:7.0 317:110.0 318:2317.0 319:848.0 320:390.0 321:73.0 322:29.0 324:10.0 327:4.0 330:51.0 331:6.0 332:17.0 343:14.0 353:16.0 354:55.0 360:1.0 367:360.0 368:76.0 369:43.0 371:3.0 373:39.0 374:49.0 379:15.0 382:80.0 385:33.0 393:92.0 394:22.0 395:3.0 403:4.0 404:4.0 405:15.0 412:14.0 418:12.0 420:32.0 422:3.0 432:284.0 433:196.0 434:130.0 437:1.0 442:52.0 443:101.0 445:21.0 446:5.0 448:2.0 455:30.0 456:22.0 458:46.0 464:5.0 478:1.0 483:6.0 892 C00137 normalized intensity 898619.38 4601557.11 1761765.82 2338944.67 4208029.08 3248777.06 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 158980 C02989 normalized intensity 7455.31 5694.53 6819.71 12178.66 11479.32 11679.08 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 6137 C00073 normalized intensity 66579.46 40975.59 41329.86 154576.78 153471.09 181662.15 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 normalized intensity 44799.01 38937.85 41891.94 46365.53 39571.63 21660.13 mannose-6-phosphate NIST 822643 387 87363 85:710.0 86:42.0 87:399.0 88:164.0 89:1367.0 90:85.0 91:150.0 93:33.0 97:294.0 98:75.0 99:473.0 100:140.0 101:3796.0 102:450.0 103:7626.0 104:662.0 105:495.0 106:9.0 107:73.0 109:7.0 111:221.0 112:22.0 113:584.0 114:61.0 115:963.0 116:2026.0 117:5448.0 118:602.0 119:556.0 120:22.0 121:159.0 123:11.0 125:52.0 127:252.0 128:58.0 129:5358.0 130:583.0 131:1776.0 132:254.0 133:4847.0 134:592.0 135:816.0 136:55.0 137:198.0 139:35.0 140:47.0 141:186.0 142:153.0 143:1045.0 144:103.0 145:178.0 147:15593.0 148:2451.0 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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 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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 151152 C00639 normalized intensity 29670.19 24761.18 30563.63 22003.14 19095.94 18889.54 isoleucine 359251 158 15 85:1549.0 86:3001.0 87:645.0 88:285.0 89:271.0 90:580.0 91:64.0 92:52.0 95:58.0 96:323.0 97:189.0 98:829.0 99:977.0 100:9875.0 101:1414.0 102:3456.0 103:1535.0 104:311.0 105:134.0 111:127.0 112:440.0 113:373.0 114:1505.0 115:765.0 116:651.0 118:274.0 119:292.0 121:53.0 123:27.0 126:183.0 128:1693.0 129:920.0 130:964.0 131:1559.0 132:2068.0 133:2024.0 135:106.0 142:989.0 143:511.0 144:398.0 145:30.0 146:574.0 147:8578.0 148:1508.0 149:662.0 156:373.0 157:197.0 158:52381.0 159:6934.0 160:2388.0 161:185.0 163:238.0 164:66.0 170:687.0 172:61.0 173:85.0 176:60.0 177:63.0 203:328.0 216:73.0 218:7253.0 219:1298.0 220:481.0 221:49.0 230:56.0 232:1531.0 233:402.0 234:118.0 236:15.0 241:39.0 246:59.0 260:235.0 261:90.0 262:28.0 280:11.0 304:35.0 313:31.0 333:17.0 341:27.0 382:28.0 396:22.0 398:26.0 405:17.0 421:16.0 458:22.0 468:21.0 6306 C00407 normalized intensity 236203.37 145702.92 195325.99 322430.69 342823.96 282584.80 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 normalized intensity 4181.33 1724.47 3722.29 4310.76 3420.41 3997.77 isocitric acid 617338 245 32122 85:2447.0 86:626.0 87:1258.0 88:847.0 89:1234.0 90:260.0 91:1069.0 92:228.0 93:230.0 94:47.0 95:3308.0 97:857.0 98:490.0 99:1992.0 100:157.0 101:1347.0 102:1246.0 103:1778.0 104:706.0 105:2996.0 106:205.0 107:136.0 108:170.0 109:137.0 110:130.0 111:512.0 112:175.0 113:5118.0 114:643.0 115:1659.0 116:2844.0 117:4523.0 118:958.0 119:1389.0 120:194.0 121:151.0 122:61.0 123:48.0 124:33.0 125:32.0 126:207.0 127:455.0 128:1061.0 129:8781.0 130:1499.0 131:5965.0 132:1274.0 133:13764.0 134:2004.0 135:1730.0 136:140.0 137:178.0 138:112.0 139:1319.0 140:225.0 141:1013.0 142:474.0 143:7404.0 144:997.0 145:826.0 146:288.0 147:82302.0 148:12684.0 149:11040.0 150:1911.0 151:1030.0 152:1.0 153:99.0 155:587.0 156:717.0 157:4605.0 158:496.0 159:442.0 161:749.0 162:465.0 163:469.0 164:98.0 165:92.0 167:46.0 168:24.0 169:687.0 170:327.0 171:1074.0 172:329.0 173:420.0 174:238.0 175:270.0 176:200.0 177:1600.0 178:329.0 179:144.0 180:66.0 182:91.0 183:754.0 184:748.0 185:1037.0 186:488.0 187:474.0 188:22.0 189:980.0 190:595.0 191:3442.0 192:815.0 193:527.0 194:83.0 196:126.0 197:17.0 198:130.0 199:100.0 200:58.0 201:500.0 202:198.0 203:1270.0 204:3303.0 205:1157.0 206:864.0 207:1098.0 208:403.0 209:135.0 210:91.0 211:5676.0 212:1726.0 213:2294.0 214:425.0 215:778.0 216:346.0 217:2705.0 218:630.0 219:755.0 220:109.0 221:3263.0 222:1081.0 223:560.0 224:295.0 225:25.0 226:65.0 227:75.0 228:20.0 229:769.0 230:481.0 231:768.0 232:568.0 233:440.0 234:44.0 237:74.0 238:13.0 239:14.0 240:45.0 241:11.0 243:330.0 244:261.0 245:19651.0 246:5118.0 247:2148.0 248:411.0 249:117.0 250:50.0 251:12.0 253:49.0 254:12.0 255:42.0 257:1685.0 258:865.0 259:1198.0 260:471.0 261:428.0 262:131.0 263:72.0 264:9.0 265:318.0 266:112.0 267:16.0 268:7.0 270:13.0 271:16.0 272:1087.0 274:6395.0 275:3019.0 276:877.0 277:112.0 278:80.0 279:25.0 280:37.0 281:8.0 282:15.0 285:2058.0 286:644.0 287:774.0 288:95.0 289:113.0 291:261.0 292:124.0 293:144.0 299:22.0 301:295.0 302:148.0 303:1170.0 304:495.0 305:1141.0 306:739.0 307:449.0 308:235.0 309:133.0 314:3.0 316:11.0 317:41.0 318:551.0 319:6962.0 320:2893.0 321:1502.0 322:327.0 323:162.0 324:109.0 325:19.0 326:27.0 327:10.0 328:16.0 330:17.0 331:230.0 332:170.0 333:341.0 334:385.0 335:255.0 336:114.0 337:27.0 340:55.0 341:39.0 344:8.0 346:375.0 347:4639.0 348:2088.0 349:1294.0 350:258.0 351:30.0 352:37.0 353:35.0 354:5.0 356:70.0 357:35.0 361:20.0 362:599.0 363:2499.0 364:1410.0 365:840.0 366:240.0 367:22.0 370:7.0 371:36.0 372:4.0 373:80.0 374:764.0 375:4411.0 376:2590.0 377:1167.0 378:300.0 381:11.0 382:10.0 383:13.0 384:13.0 385:7.0 387:64.0 389:62.0 390:587.0 391:222.0 392:60.0 394:31.0 397:4.0 398:30.0 399:18.0 400:37.0 401:51.0 403:21.0 404:11.0 406:35.0 407:1.0 418:20.0 419:43.0 420:7.0 425:15.0 430:15.0 431:16.0 432:31.0 433:2.0 435:28.0 436:25.0 437:46.0 448:5.0 453:3.0 454:15.0 464:201.0 465:1345.0 466:1028.0 467:720.0 468:236.0 469:104.0 473:14.0 474:8.0 480:45.0 481:15.0 482:11.0 490:15.0 5318532 C00451 normalized intensity 9564.24 10934.58 10279.90 16324.09 13495.57 13375.14 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 440043 C03546 normalized intensity 49649.75 32671.47 50171.67 19504.92 16896.66 22484.86 inosine 5'-monophosphate 1016811 169 31242 87:68.0 89:59.0 91:75.0 95:92.0 96:48.0 98:85.0 99:128.0 100:42.0 101:160.0 105:72.0 106:69.0 108:39.0 109:62.0 110:57.0 111:37.0 113:198.0 115:118.0 116:126.0 117:138.0 121:72.0 122:58.0 123:62.0 125:63.0 127:100.0 129:478.0 130:162.0 133:331.0 135:74.0 138:59.0 139:70.0 140:139.0 141:61.0 143:101.0 147:894.0 148:205.0 149:147.0 151:79.0 153:75.0 158:33.0 166:56.0 167:38.0 168:26.0 169:2863.0 170:314.0 171:237.0 176:30.0 177:51.0 179:65.0 183:47.0 184:66.0 186:33.0 193:526.0 194:115.0 195:71.0 197:27.0 204:39.0 207:468.0 208:99.0 209:407.0 210:67.0 211:522.0 212:64.0 215:88.0 217:136.0 218:38.0 219:68.0 221:65.0 225:77.0 227:59.0 229:56.0 230:749.0 231:180.0 232:91.0 240:42.0 241:76.0 243:422.0 244:106.0 252:23.0 253:87.0 258:318.0 260:43.0 263:61.0 264:31.0 265:85.0 266:67.0 277:43.0 279:40.0 280:48.0 281:280.0 283:35.0 284:28.0 285:31.0 287:29.0 289:41.0 290:15.0 293:69.0 299:593.0 300:118.0 301:129.0 302:31.0 303:34.0 305:17.0 307:70.0 308:47.0 315:1289.0 316:358.0 317:185.0 318:22.0 320:40.0 321:42.0 323:63.0 328:78.0 329:47.0 331:26.0 332:24.0 333:35.0 335:48.0 336:16.0 338:45.0 340:54.0 341:40.0 342:69.0 343:36.0 344:29.0 345:13.0 356:71.0 357:48.0 362:45.0 369:35.0 370:53.0 371:45.0 375:33.0 377:23.0 378:55.0 384:44.0 386:17.0 390:47.0 396:35.0 399:38.0 400:29.0 412:60.0 414:19.0 419:42.0 429:50.0 431:16.0 435:14.0 444:38.0 449:21.0 480:27.0 481:31.0 493:26.0 495:42.0 8582 C00130 normalized intensity 12833.29 10015.66 15232.98 3933.44 3927.78 1047.77 inosine 897434 230 84524 85:1568.0 86:780.0 87:1166.0 88:560.0 89:1904.0 91:15501.0 92:2918.0 93:6326.0 94:1647.0 95:2401.0 97:1081.0 98:220.0 99:1165.0 100:804.0 101:3341.0 102:808.0 103:15276.0 104:2320.0 105:6001.0 106:3197.0 107:1491.0 108:2478.0 109:746.0 110:1136.0 111:1921.0 112:413.0 113:1448.0 114:353.0 115:3043.0 116:2998.0 117:9407.0 118:1635.0 119:4572.0 120:1119.0 121:826.0 122:365.0 123:390.0 124:342.0 125:560.0 126:410.0 127:944.0 128:745.0 129:6916.0 130:1540.0 131:5401.0 132:1978.0 133:6175.0 134:1052.0 135:1120.0 136:222.0 137:272.0 138:1040.0 139:344.0 140:191.0 141:849.0 142:811.0 143:2861.0 144:777.0 145:2410.0 146:921.0 147:12798.0 148:2083.0 149:1405.0 150:419.0 151:246.0 152:120.0 153:663.0 154:185.0 155:440.0 156:241.0 157:1526.0 158:407.0 159:1184.0 160:321.0 161:428.0 162:405.0 163:457.0 164:145.0 165:346.0 166:1117.0 167:411.0 168:208.0 169:2730.0 170:519.0 171:882.0 173:691.0 174:54.0 175:375.0 176:164.0 177:435.0 178:113.0 179:219.0 180:252.0 181:424.0 182:97.0 183:269.0 185:224.0 187:237.0 189:984.0 190:216.0 191:464.0 192:533.0 193:8163.0 194:1429.0 195:390.0 196:128.0 197:189.0 198:108.0 199:326.0 200:119.0 201:222.0 202:120.0 203:192.0 204:365.0 205:434.0 206:405.0 207:1541.0 208:616.0 209:2943.0 210:178.0 211:105.0 212:99.0 213:151.0 215:648.0 216:149.0 217:14712.0 218:2569.0 219:1558.0 220:193.0 221:491.0 222:49.0 223:102.0 224:30.0 225:64.0 226:46.0 227:82.0 229:294.0 230:10605.0 231:2623.0 232:1108.0 233:219.0 234:54.0 235:174.0 236:65.0 237:4677.0 238:892.0 239:211.0 241:29.0 242:28.0 243:3063.0 244:783.0 245:7719.0 246:1654.0 247:734.0 248:192.0 249:188.0 250:21.0 251:82.0 252:42.0 254:26.0 257:230.0 258:750.0 259:3915.0 260:723.0 261:413.0 262:30.0 263:135.0 265:906.0 266:226.0 267:276.0 268:37.0 276:34.0 278:44.0 279:101.0 280:1223.0 281:4422.0 282:1184.0 283:433.0 284:94.0 291:143.0 292:91.0 293:26.0 294:88.0 295:35.0 296:32.0 299:31.0 305:29.0 306:92.0 307:1260.0 308:271.0 309:291.0 310:14.0 311:66.0 312:10.0 317:31.0 318:22.0 319:64.0 320:133.0 321:116.0 322:119.0 323:779.0 324:199.0 326:11.0 327:15.0 331:13.0 333:103.0 335:325.0 336:60.0 337:52.0 338:133.0 339:61.0 347:48.0 348:564.0 349:219.0 350:68.0 351:53.0 361:52.0 362:25.0 363:184.0 364:62.0 366:9.0 377:55.0 379:48.0 394:15.0 395:329.0 396:139.0 397:11.0 424:12.0 437:5.0 452:49.0 453:187.0 454:90.0 465:36.0 466:74.0 467:21.0 468:21.0 469:23.0 6021 C00294 normalized intensity 4195.16 4372.84 4421.90 8734.11 8475.79 11735.58 hydroxylamine 253158 146 4211 85:497.0 86:2803.0 87:818.0 88:210.0 89:444.0 90:52.0 99:143.0 100:1769.0 101:310.0 102:90.0 103:289.0 113:392.0 114:359.0 115:278.0 116:400.0 117:769.0 118:165.0 119:4073.0 120:347.0 121:246.0 130:2689.0 131:1261.0 132:534.0 133:5379.0 134:778.0 135:325.0 140:17.0 144:46.0 145:193.0 146:4483.0 147:2330.0 148:211.0 160:124.0 161:218.0 171:38.0 172:25.0 177:32.0 178:25.0 187:27.0 188:34.0 204:99.0 205:14.0 220:16.0 238:19.0 245:26.0 249:706.0 250:159.0 365:11.0 384:23.0 426:18.0 787 C00192 normalized intensity 192028.35 226681.47 232338.60 219691.58 227516.27 163642.94 hydroxycarbamate NIST 325318 278 130396 86:3909.0 89:5546.0 91:162.0 98:928.0 100:9202.0 103:3112.0 104:804.0 105:1118.0 109:43.0 115:2742.0 116:1447.0 117:1902.0 118:782.0 119:6979.0 120:481.0 121:178.0 123:62.0 131:6529.0 133:21267.0 134:4246.0 135:2007.0 144:446.0 145:185.0 147:31804.0 152:25.0 160:14456.0 161:3001.0 162:1040.0 163:900.0 169:62.0 188:1604.0 196:22.0 205:1022.0 206:398.0 207:1225.0 208:224.0 213:39.0 215:46.0 221:679.0 222:160.0 226:28.0 231:136.0 278:19428.0 279:4792.0 280:2239.0 281:436.0 282:130.0 293:227.0 294:22.0 379:35.0 496:35.0 16639161 normalized intensity 122596.50 116771.78 119799.90 151897.00 137955.20 90216.99 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 6274 C00135 normalized intensity 27077.47 9869.47 22079.60 204829.09 176604.62 111913.79 hexuronic acid1 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 normalized intensity 13187.74 10580.54 16244.53 10984.83 5343.12 7577.23 hexose-6-phosphate 831123 387 62349 87:340.0 88:89.0 93:10.0 98:293.0 99:728.0 101:1346.0 102:204.0 103:2126.0 104:228.0 105:87.0 106:120.0 109:150.0 111:501.0 112:136.0 113:1353.0 115:288.0 116:848.0 117:1025.0 118:109.0 119:351.0 125:70.0 127:423.0 128:117.0 129:8503.0 130:953.0 131:1297.0 132:226.0 133:3426.0 134:372.0 135:710.0 137:168.0 138:18.0 141:168.0 142:318.0 143:640.0 145:274.0 146:41.0 147:9578.0 148:1376.0 149:1210.0 150:134.0 151:291.0 154:100.0 155:709.0 156:135.0 157:262.0 159:144.0 161:172.0 163:41.0 165:49.0 168:10.0 169:373.0 170:75.0 171:73.0 173:84.0 177:29.0 179:131.0 182:143.0 183:231.0 184:19.0 185:9.0 186:14.0 189:1357.0 190:253.0 191:2400.0 192:453.0 193:534.0 194:60.0 195:333.0 197:164.0 201:68.0 204:10590.0 205:1945.0 206:962.0 207:821.0 211:1977.0 212:298.0 213:164.0 217:3429.0 218:480.0 220:19.0 221:248.0 223:13.0 225:384.0 226:52.0 227:517.0 228:99.0 229:94.0 230:135.0 231:237.0 232:30.0 233:43.0 235:17.0 241:104.0 242:273.0 243:391.0 244:87.0 245:43.0 246:29.0 247:162.0 251:23.0 253:161.0 254:17.0 255:108.0 256:46.0 257:108.0 259:22.0 263:21.0 264:24.0 265:39.0 267:44.0 269:209.0 270:390.0 271:961.0 272:215.0 273:156.0 275:10.0 276:11.0 283:171.0 284:11.0 285:231.0 286:39.0 287:14.0 297:35.0 298:155.0 299:4941.0 300:1175.0 301:619.0 302:132.0 303:57.0 305:260.0 309:30.0 313:38.0 314:262.0 315:1558.0 316:430.0 317:422.0 318:53.0 320:40.0 321:7.0 328:29.0 329:29.0 330:32.0 331:35.0 332:30.0 333:24.0 334:30.0 335:35.0 342:20.0 343:60.0 344:19.0 345:386.0 346:112.0 347:55.0 348:24.0 354:12.0 356:22.0 357:1229.0 358:382.0 359:185.0 360:63.0 361:61.0 362:11.0 363:10.0 364:27.0 365:9.0 368:30.0 369:175.0 370:675.0 371:262.0 372:129.0 373:197.0 374:68.0 375:41.0 376:14.0 377:36.0 378:7.0 385:56.0 386:332.0 387:4174.0 388:1664.0 389:905.0 390:305.0 391:94.0 392:51.0 393:5.0 394:2.0 395:22.0 401:10.0 402:25.0 403:19.0 404:11.0 405:16.0 407:18.0 410:13.0 411:33.0 413:3.0 415:30.0 416:19.0 417:13.0 418:10.0 419:9.0 422:13.0 426:11.0 427:9.0 428:15.0 429:9.0 431:30.0 432:13.0 436:2.0 438:12.0 442:9.0 445:5.0 446:7.0 447:5.0 448:6.0 450:16.0 451:7.0 453:12.0 454:18.0 455:26.0 459:6.0 462:2.0 464:16.0 472:6.0 473:27.0 474:12.0 477:7.0 479:16.0 480:6.0 482:16.0 484:31.0 485:7.0 486:4.0 488:12.0 489:13.0 490:7.0 493:13.0 494:11.0 495:5.0 496:17.0 499:10.0 500:10.0 208 C02965 normalized intensity 119106.29 82638.38 92031.72 33979.95 25448.71 47796.80 hexitol 704741 217 255 85:79.0 88:37.0 92:32.0 94:14.0 97:41.0 99:235.0 100:26.0 101:41.0 102:73.0 103:1566.0 104:206.0 105:96.0 109:97.0 110:36.0 111:111.0 112:66.0 113:39.0 114:55.0 115:112.0 116:320.0 117:397.0 118:41.0 119:91.0 127:84.0 129:2437.0 130:240.0 131:990.0 132:120.0 133:2109.0 135:188.0 136:36.0 138:15.0 141:58.0 142:51.0 143:712.0 144:95.0 146:64.0 147:9643.0 148:1032.0 149:1104.0 150:133.0 151:66.0 153:37.0 154:15.0 155:45.0 156:56.0 157:114.0 158:38.0 159:64.0 162:22.0 163:54.0 165:18.0 169:33.0 171:28.0 172:20.0 173:32.0 175:121.0 176:49.0 177:65.0 178:54.0 180:19.0 181:27.0 182:35.0 183:24.0 185:56.0 186:24.0 187:39.0 188:28.0 189:431.0 190:280.0 191:2851.0 192:494.0 193:203.0 194:46.0 195:24.0 196:20.0 199:31.0 202:25.0 203:33.0 204:2084.0 205:484.0 206:209.0 207:184.0 208:54.0 209:29.0 210:49.0 213:49.0 214:30.0 216:52.0 217:4285.0 218:777.0 219:295.0 222:73.0 223:57.0 225:24.0 228:21.0 229:8.0 230:158.0 233:26.0 235:39.0 237:36.0 243:68.0 245:37.0 246:36.0 247:35.0 248:31.0 249:20.0 250:15.0 253:24.0 255:58.0 257:49.0 258:44.0 259:29.0 262:31.0 264:36.0 265:224.0 266:50.0 267:60.0 268:28.0 269:38.0 271:33.0 278:32.0 279:39.0 280:25.0 281:34.0 282:14.0 283:18.0 285:17.0 287:71.0 289:31.0 290:18.0 291:203.0 292:92.0 293:144.0 294:16.0 297:26.0 302:38.0 304:74.0 305:2094.0 306:618.0 307:304.0 314:18.0 317:125.0 318:2595.0 319:905.0 320:416.0 321:110.0 323:29.0 324:22.0 336:25.0 338:25.0 344:38.0 353:16.0 357:21.0 360:29.0 361:29.0 362:27.0 365:15.0 367:52.0 368:39.0 373:25.0 379:31.0 381:27.0 385:15.0 386:24.0 388:23.0 393:128.0 394:66.0 400:21.0 407:31.0 414:47.0 418:36.0 419:13.0 421:18.0 426:34.0 433:58.0 437:23.0 438:24.0 439:24.0 440:21.0 442:30.0 444:25.0 448:31.0 449:48.0 451:28.0 452:18.0 456:19.0 458:26.0 459:31.0 477:24.0 478:17.0 484:34.0 487:27.0 489:20.0 491:18.0 492:17.0 495:28.0 499:13.0 453 C00392 normalized intensity 883567.56 870245.46 896001.28 268765.27 228408.99 284952.93 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 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normalized intensity 12506.48 10256.33 11030.33 6933.73 5859.64 1416.52 "fructose-1,6-bisphosphate" 939046 315 110203 85:135.0 86:90.0 87:200.0 89:1769.0 90:208.0 91:186.0 92:74.0 94:23.0 97:23.0 98:186.0 99:236.0 100:105.0 101:1082.0 103:1117.0 104:136.0 105:254.0 106:10.0 107:141.0 110:60.0 112:28.0 113:342.0 114:222.0 115:167.0 116:356.0 117:376.0 118:102.0 119:291.0 121:111.0 122:35.0 123:53.0 124:80.0 126:130.0 128:70.0 129:2745.0 130:358.0 131:382.0 132:14.0 133:2108.0 134:163.0 135:653.0 137:259.0 138:95.0 139:48.0 140:96.0 142:591.0 143:216.0 144:47.0 145:99.0 147:3484.0 148:475.0 149:440.0 150:55.0 151:261.0 152:100.0 155:71.0 157:65.0 158:132.0 163:169.0 164:49.0 165:36.0 166:45.0 167:99.0 169:52.0 172:51.0 173:602.0 174:109.0 179:51.0 180:114.0 181:277.0 182:98.0 183:124.0 184:82.0 186:58.0 188:43.0 189:57.0 191:69.0 192:72.0 193:195.0 195:251.0 196:167.0 197:16.0 198:82.0 199:36.0 203:8.0 207:564.0 208:52.0 210:82.0 211:1436.0 212:176.0 213:74.0 215:82.0 216:49.0 217:2061.0 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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 normalized intensity 4589.10 4636.38 4258.46 6666.97 5548.51 6867.48 beta-hydroxymyristic acid 703225 233 125981 85:3484.0 86:551.0 87:1694.0 88:496.0 89:823.0 90:208.0 91:1970.0 92:277.0 93:925.0 94:367.0 95:3231.0 96:1126.0 97:9578.0 98:983.0 99:1574.0 100:253.0 101:10066.0 102:1170.0 103:6706.0 104:741.0 105:871.0 106:351.0 107:645.0 108:188.0 109:1603.0 110:396.0 111:4689.0 112:337.0 113:695.0 114:195.0 115:1751.0 116:1222.0 117:8612.0 118:855.0 119:1064.0 120:148.0 121:749.0 122:120.0 123:409.0 124:175.0 125:776.0 126:522.0 127:1965.0 128:194.0 129:4488.0 130:5179.0 131:4494.0 132:1029.0 133:8502.0 134:1159.0 135:1121.0 136:147.0 137:235.0 138:89.0 139:129.0 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intensity 2547.31 3280.87 3433.28 4100.80 1426.53 5673.01 beta-gentiobiose 973116 204 100955 85:70.0 89:982.0 90:77.0 91:136.0 95:34.0 96:80.0 97:38.0 98:38.0 99:224.0 100:200.0 101:1148.0 102:217.0 103:4272.0 104:506.0 105:629.0 107:71.0 109:45.0 111:135.0 113:198.0 115:321.0 116:420.0 117:1824.0 118:79.0 119:114.0 120:20.0 127:85.0 129:2242.0 130:489.0 131:666.0 132:66.0 133:1750.0 135:92.0 141:95.0 142:78.0 143:414.0 147:3177.0 149:321.0 150:66.0 153:43.0 155:51.0 157:385.0 159:100.0 160:2014.0 161:1227.0 162:156.0 163:42.0 169:615.0 170:149.0 171:60.0 173:37.0 176:37.0 177:138.0 179:40.0 181:26.0 183:10.0 187:79.0 189:518.0 190:140.0 192:82.0 193:340.0 197:26.0 203:177.0 204:7464.0 205:1538.0 206:727.0 207:318.0 208:37.0 209:32.0 215:99.0 217:1759.0 218:398.0 219:147.0 220:8.0 222:17.0 230:108.0 231:65.0 232:68.0 233:117.0 237:26.0 243:446.0 244:89.0 245:111.0 246:17.0 260:61.0 261:14.0 263:39.0 264:19.0 271:425.0 272:111.0 273:183.0 274:59.0 275:22.0 280:14.0 281:31.0 282:30.0 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