Class Control Treatment Treatment Treatment Control Treatment Treatment Treatment Treatment Control Control Control Control Control Control Treatment NA NA NA NA File type Sample Sample Sample Sample Sample Sample Sample Sample Sample Sample Sample Sample Sample Sample Sample Sample NA NA NA NA Batch ID 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Average Average Stdev Stdev Alignment ID Average Rt(min) Average RI Quant mass Metabolite name Fill % Reference RT Reference RI Formula Ontology INCHIKEY SMILES Annotation tag (VS1.0) RT/RI matched EI-MS matched Comment Manually modified for quantification Manually modified for annotation Total score RT similarity RI similarity Total spectrum similarity Dot product Reverse dot product Fragment presence % S/N average Spectrum reference file name EI spectrum 38182_C-D145 38266_T-D145 38467_T-D145 42154_T-D145 42643_C-D145 42690_T-D145 42727_T-D145 42811_T-D145 42907_T-D145 42924_C-D145 42978_C-D145 43462_C-D145 43504_C-D145 43664_C-D145 84706_C-D145 85035_T-D145 Control Treatment Control Treatment 1244 17.262 651484 204.0034 "1,2-anhydro-myo-inositol" 0.806 10.858 651472 ZHMWOVGZCINIHW-FTYOSCRSSA-N 340 FALSE FALSE FALSE FALSE 85.7 0 100 76.2 78.1 66.4 90.1 1532.94 38182_C-D145 52:497 53.1:29760 54.1:20799 55.1:64973 56:16952 57.1:25570 58.1:30143 59.1:178576 60:18565 61:38175 62:2277 63:708 64:467 65.1:7487 66.1:12548 69:47809 71.1:40781 73.1:4939279 74.1:678346 75:617837 76:36961 77:28412 78:4422 79:8270 81:62302 82:0 83:0 85:35450 86:0 87:37799 88:18171 89:1 91:7050 93:2471 94:1558 95:5603 97:13311 99:44934 100:0 101:171211 102.1:61739 104:0 106:1 106.9:372 109:21215 110:1 111:33943 112:1 113:70057 114:0 115:53006 116:127451 117:202466 118:64610 119:82124 120:9436 120.9:6903 122.9:1864 125:8722 126:1 127:31657 129:971593 130:72255 131:320919 132:72007 133:577983 134:83216 135:66305 136:7294 137:5446 137.89999:1 139:6084 140:0 141:21439 142:10800 143:167015 144:12108 145:58280 147:2517389 148:432554 149:335268 150:39424 151:26760 151.89999:0 153:14017 154:7036 155:63708 156:22427 157:0 158:0 159:48827 160:1 161:0 162:0 163:1 163.89999:2197 167:4760 168:2548 169:130868 170:22855 171:28851 172:0 174:0 175:68226 175.89999:14577 177:60509 179:404 181:8799 183:18936 185:10036 187:13337 189:532751 191:5636066 192:1231355 193:581894 194:69682 195:14205 195.89999:1 197:2178 197.89999:1 199:7929 200:0 201:1 204.10001:8329060 206:1110698 207:1 208:78348 209:17861 209.89999:1 211:0 211.8:1 212.89999:3742 213.89999:0 215:17439 217:2213568 218:690068 219:348669 220:72561 221:164883 222:36723 223:19625 223.89999:3285 225:1824 226.10001:1 227:8156 229:0 230:1 231:299321 231.89999:32911 233:22999 234:1 236:0 236.89999:717 239:3535 239.89999:1 241:6604 242:27495 243:231761 244:24131 245:53951 246:0 247:5278 247.89999:0 248.89999:4212 249.89999:5982 250.89999:2499 251.89999:391 252.8:61 253.89999:1 254.89999:13278 255.89999:1 256.89999:29626 257.89999:5910 259:5661 260:1 261.89999:1 262.89999:0 265:103451 266:26178 266.89999:13818 267.89999:1 268.89999:0 271:68854 272:14888 272.89999:21889 273.89999:0 274.89999:1 275.89999:1 277:0 278:1 278.89999:25233 280:8590 280.89999:5195 281.89999:1243 282.89999:997 283.89999:1 284.89999:534 286:0 286.89999:1 288:122 289:3631 291:117672 292:33175 293:21022 293.89999:3801 294.89999:2780 295.89999:247 296.70001:315 299:865 300:1 301:1 302.89999:25244 304:31010 305:297436 306:95451 307:1 308:1 308.89999:1 310:13817 311:3191 311.89999:869 313:1111 313.89999:0 315:2648 317:168430 318:67952 319:1 320:1 321:0 322:1 323:0 324:0 325:1843 325.79999:614 326.89999:830 328:0 328.89999:1228 331:48503 332:55739 333:33398 334:7718 335:4088 336:0 336.89999:0 337.70001:1 339.79999:39 340.39999:160 342:1 344.89999:131857 346:40580 347:46276 347.89999:11202 349:5515 349.89999:0 353:566 354:450 355.89999:24 359:1600 361:140634 362:45962 363:21922 364:0 364.89999:1 365.89999:1 367:0 367.79999:0 368.89999:31 371.70001:44 372.89999:209 373.89999:0 374.70001:0 376:1 376.89999:1 379:29786 380:10735 381:3696 382:868 383:243 383.79999:61 385.89999:153 386.79999:85 387.89999:1282 388.70001:0 391:0 393:124986 394:47325 395:25468 395.89999:6961 396.89999:2008 397.79999:458 405:15221 405.89999:6694 407:8540 407.89999:1646 410.89999:1 417:373 417.89999:0 418.89999:1757 420.79999:1 421.89999:534 422.89999:347 424.10001:225 425:57 432:0 433.10001:1 435:203370 436:78187 437:44075 438:12293 439:3567 439.89999:711 447.10001:247 448.89999:1 449.89999:1 450.60001:436 450.60001:370 451.89999:158 452.70001:155 464:0 464.79999:1 465.5:1 466.10001:1 466.10001:0 468.70001:0 480.89999:0 506.89999:594 508.10001:434 525:3036 526.09998:1532 526.90002:846 539.90002:102 8363810 4029004 3049565 5282617 5480286 3610047 885049 7398510 5014059 8251119 2067553 2000903 2184237 8053723 2098060 2618694 3816842.42 3211124.676 2510605.251 2105544.641 1176 16.767 631806.62 258.0237 "1,5-anhydroglucitol" 0.806 10.566 633969 MPCAJMNYNOGXPB-SLPGGIOYSA-N 440 FALSE FALSE FALSE FALSE 72.8 0 74.6 71.5 62.3 76.4 89.5 24.44 38182_C-D145 51:217 52:739 52.9:462 54:343 55:1023 56:738 57:901 58:1649 58.9:1612 60:1 60.9:655 62.8:211 63.8:146 65.9:0 66.9:443 67.9:341 69:471 70:1078 71:802 72:1699 73:35124 74:3586 75:7993 76:1 77:358 78.9:208 80.9:508 82:432 84:210 84.9:169 85.9:631 86.8:440 87.8:163 89:707 89.9:278 91:432 91.7:399 93.9:0 94.9:310 96:1 97.9:178 99:1011 99.9:997 100.9:1256 101.9:341 103:4893 104:368 105:105 107:0 107:1 108.9:111 110.9:140 112:1351 113:718 113.9:70 114.9:692 115.9:2926 116.9:2286 117.9:377 118.9:178 120.9:137 125.9:132 127.9:393 129:7343 129.89999:1407 130.89999:2665 132:2577 132.89999:2435 133.8:1 134.89999:1 136:0 136.8:109 137.89999:237 140.89999:108 141.89999:196 142.89999:386 143.89999:706 144.89999:488 145.8:468 146.89999:6032 147.89999:1036 148.89999:1 149.89999:0 150.7:291 151.89999:2 154:514 155:472 156:342 159:254 159.89999:350 160.89999:256 161.8:28 162.89999:26 164.10001:0 167:1 168.89999:433 169.8:212 170.89999:168 171.89999:294 173:32 174.8:206 175.7:23 176.7:245 178.60001:135 179.89999:40 185.8:287 186.89999:60 187.7:33 188.89999:511 189.89999:215 190.89999:2879 191.89999:559 192.8:447 193.8:277 194.89999:21 198:317 199:115 201:157 201.7:125 202.89999:375 203.89999:2459 204.8:1081 205.89999:361 206.89999:83 207.8:110 208.89999:169 209.89999:90 210.89999:66 211.5:212 211.5:124 212.89999:0 214.8:196 216.89999:14027 218:6256 218.89999:2268 220:283 220.89999:58 221.8:140 223.7:88 225.89999:466 226.8:103 230.89999:243 231.89999:247 233.89999:109 237.8:109 239.10001:18 239.8:34 241.8:79 242.8:118 245:55 247:93 248.89999:32 249.8:96 250.7:153 254:107 255:51 256:589 256.89999:258 258:5228 259:1099 260:407 260.89999:156 261.70001:252 262.89999:114 264.89999:1 265.60001:1 266.89999:110 269.79999:135 270.70001:200 271.70001:90 272.89999:331 278.89999:172 279.89999:87 280.79999:81 283.79999:11 284.79999:98 286.70001:129 287.70001:104 289.70001:196 290.70001:212 297.60001:155 298.89999:52 299.79999:18 300.89999:90 303.79999:1 304.79999:176 306:1 306.89999:277 308.79999:10 313.70001:17 314.89999:58 315.70001:217 316.29999:81 317.70001:227 318.89999:71 320.20001:64 320.79999:143 340.79999:100 345.89999:355 346.89999:101 348:170 362.70001:173 366.89999:22 437.79999:69 5766.333 4406.444 4218.333 4513.889 5137.333 4487.111 5232.556 6610.111 5671.556 4911.778 5898.889 5900.556 5180.556 4722.111 4557.889 3951.889 6568.570171 6505.712393 1865.721975 2272.64435 1686 23.518 902798.12 371.0946 1-monopalmitin 1 15.029 901749 QHZLMUACJMDIAE-UHFFFAOYSA-N 340 FALSE FALSE FALSE FALSE 87 null 97 80.3 70.4 85.8 98.8 1174.8 43081_T-D145 50.9:33 52:120 53:1421 54:2706 55:36846 56:7076 57:47951 58:4239 59:7363 59.9:934 61:2344 61.9:286 63.7:57 65:184 65.9:398 67:6093 67.9:2062 69:13940 70:3640 71:19746 72:4119 73:112503 74:10297 75:25847 75.9:1895 76.9:1279 77.9:0 79:1030 80:662 81:6713 82:1460 83:12262 84:4601 85:12734 86:1130 86.9:2062 88:2295 88.9:3650 89.8:544 90.9:540 91.9:47 93:1488 94:15 95:10571 96:1413 97:7639 97.9:4446 99:1525 99.9:144 101:15666 102:1897 103:23624 104:2800 105:1993 105.9:103 106.8:867 107.9:45 109:4918 109.9:372 111:1933 112:636 113:421 114.9:1859 116:15323 116.9:13240 117.9:1936 118.9:1494 119.8:474 120.9:1124 121.9:5 123:2594 123.9:495 124.9:323 127:161 127.9:404 128.89999:27978 130:5220 130.89999:10504 131.89999:5660 132.89999:13952 133.89999:2033 134.89999:2265 135.89999:400 136.89999:1089 137.8:46 138.8:158 139.8:130 142.89999:1031 143.89999:276 144.89999:12104 145.89999:3823 146.89999:47272 148:7325 148.89999:6222 149.8:945 150.8:981 151.8:113 154.10001:57 155.8:31 157:93 157.89999:119 158.89999:1772 159.89999:170 160.8:636 161.89999:131 163:1247 163.8:312 164.89999:230 166:145 167:15 169.8:94 170.89999:602 171.8:44 173:564 173.89999:664 174.89999:3872 175.8:537 176.8:225 178.8:16 179.7:149 180.8:130 181.7:174 184.89999:364 186.89999:5611 187.89999:2586 188.89999:1526 189.7:168 190.89999:796 191.8:4 193.89999:61 194.8:33 198:50 199:130 199.7:18 200.89999:3866 201.8:795 202.89999:13935 203.89999:4754 204.89999:16919 206:3086 206.89999:1688 207.8:343 208.7:133 213:59 213.8:125 214.89999:290 215.7:138 216.89999:1470 217.89999:3812 218.89999:1356 220:662 221:998 221.89999:397 222.89999:185 223.8:1 226.8:165 227.8:176 228.89999:508 229.89999:207 231:33 231.89999:34 232.8:100 236.89999:698 239:11349 240:2075 240.89999:313 242.89999:943 243.89999:292 244.7:247 246.60001:212 248.89999:21 252.60001:4 253.60001:97 254.7:133 256.89999:1210 258:384 258.89999:135 260:211 262.79999:295 263.70001:274 266.79999:30 267.79999:202 268.89999:62 270.89999:576 271.89999:270 272.89999:233 274.79999:821 275.89999:276 277.79999:481 278.70001:80 280.79999:199 281.79999:112 282.79999:176 284.89999:490 286:261 286.70001:41 287.79999:76 288.70001:184 290.70001:124 291.89999:14 294.60001:8 297.10001:20 298.89999:801 299.70001:91 300.89999:216 302:84 303.70001:167 311.10001:660 312:308 313:4416 313.89999:955 314.79999:479 316.70001:261 318:12 326.89999:493 328:270 329:297 330.70001:210 332.70001:88 339.10001:395 341.10001:486 341.89999:645 343:206 343.79999:121 354.79999:222 356.20001:120 359:224 368.89999:230 371.10001:83152 372.10001:25448 373:6763 374:1383 374.79999:356 383:341 384:625 385:187 385.79999:22 386.79999:208 387.89999:44 388.79999:34 391.79999:294 392.70001:87 401.10001:1165 401.89999:454 403:447 403.79999:147 413:31 414:34 414.70001:239 416.5:49 418.10001:40 429:388 430:36 431.10001:13 431.10001:10 431.70001:20 443:51 444:34 459:5656 460:2000 461:1033 462.20001:277 110795.7 91925.22 85499.34 85571.45 88256.55 80374.66 96332.45 99432.55 95570.55 110330.3 129256.7 102508 104787.7 107163.2 87787.45 94211 159677.9544 153782.3139 65982.34592 66830.92475 1736 24.972 960977.62 399.1 1-monostearin 1 16.024 961427 340 FALSE FALSE FALSE FALSE 87.7 null 99.9 79.7 70.6 83.5 99.1 1617.57 42643_C-A22 50.9:306 51.9:145 53:2619 54:4284 55:71431 56:18551 57:121992 58:11068 59:14896 59.9:2055 61:3635 61.8:409 62.9:377 63.9:98 64.9:528 66:706 67:12227 68:4495 69:39078 70:11269 71:65945 72:10288 73:224038 74:20916 75:47840 76:3321 76.9:3246 78:668 79:3099 79.9:1197 81:15273 82:3909 83:29185 84:11582 85:40819 86:1866 87:3284 87.9:4018 89:7667 90:915 91:1102 91.8:233 92.9:2951 93.9:991 95:20183 96:1318 97:21296 98:8892 99:11674 100:1126 100.9:33177 101.9:4215 103:54928 104:5801 104.9:4817 105.9:483 107:1958 108:276 109:10901 110:1065 111:9184 112:2506 113:6847 113.9:158 115:4474 115.9:35501 116.9:35175 117.9:4205 118.9:3601 119.9:396 120.9:2893 121.9:219 123:5702 123.9:726 125:2806 126:183 127:2637 128.89999:70044 129.89999:13917 130.89999:24498 131.89999:15903 132.89999:28237 133.89999:4885 134.89999:5176 136:444 137:2443 137.8:287 138.89999:838 139.89999:404 141:1542 142:4035 143:2524 144.89999:27427 145.89999:10562 146.89999:103160 147.89999:16128 148.89999:13767 149.89999:1329 150.89999:1220 151.8:259 153:679 153.89999:689 154.89999:1246 155.8:490 156.8:967 157.89999:183 158.89999:4384 159.89999:1228 160.89999:2543 161.89999:506 162.89999:2453 163.89999:504 164.89999:780 165.89999:68 166.89999:338 167.89999:172 169:781 169.89999:293 170.8:908 171.89999:470 172.8:1645 173.89999:2804 174.89999:10332 175.89999:1829 176.89999:1187 177.7:193 178.8:394 179.89999:145 180.89999:435 182:393 182.89999:176 184:226 184.89999:951 186.89999:13555 187.89999:5284 188.89999:3389 189.89999:816 190.89999:1930 191.7:54 192.8:919 193.89999:222 194.8:322 195.89999:152 197:561 198.8:704 200.89999:10892 201.89999:1902 202.89999:36079 203.89999:7846 204.89999:42288 205.89999:7695 206.89999:4011 207.8:487 208.7:305 209.7:459 210.89999:479 212.89999:169 213.89999:198 214.89999:1495 215.8:509 217:3735 217.89999:9741 218.89999:5038 220:1685 221:2504 221.89999:421 222.7:219 224:176 224.8:410 227:404 227.7:79 228.89999:1207 229.8:310 231:163 232.10001:27 232.7:76 233.7:1 236.89999:2624 237.8:480 238.89999:263 240.8:372 241.8:181 243:3019 243.8:720 244.89999:262 245.89999:94 246.8:181 247.60001:257 248.89999:537 254.8:293 255.8:338 257:3583 257.79999:931 259.70001:137 260.79999:59 262.89999:199 263.79999:101 264.89999:52 265.89999:200 267:16451 268:3199 269:601 271:1118 271.89999:295 272.79999:296 273.70001:60 274.89999:1900 275.89999:448 276.79999:43 277.79999:1224 278.79999:268 280.79999:32 281.79999:84 283:63 283.70001:100 285:1360 285.79999:347 286.70001:255 287.79999:54 288.79999:207 289.5:282 289.5:171 290.89999:938 291.70001:196 292.70001:5 294.60001:297 294.60001:276 295.60001:50 297:257 297.79999:117 298.89999:2187 299.89999:313 300.79999:311 303.29999:93 306.89999:137 307.60001:62 308.89999:388 311.89999:68 313:1386 313.89999:318 314.79999:310 315.79999:75 316.89999:264 322.70001:127 324.89999:15 325.79999:1 326.89999:756 327.70001:480 328.70001:259 329.70001:56 330.89999:523 331.79999:310 332.79999:212 333.70001:154 334.79999:122 339.10001:2475 340.20001:761 341:11039 342.10001:3099 342.89999:704 343.79999:154 344.79999:296 352.70001:16 355:1348 356:1244 356.89999:778 357.89999:226 358.89999:303 360:43 362:22 363.89999:164 364.79999:353 366.89999:53 367.79999:103 369.10001:1923 370:1837 371.10001:678 371.89999:88 373:320 373.89999:190 374.89999:31 382.79999:786 384:229 386:249 386.70001:346 388:147 388.70001:21 397.20001:820 399.10001:224389 400.10001:67313 401.10001:18765 402.10001:3685 403:406 404.10001:155 410.70001:453 412:1818 413:746 415.10001:421 415.70001:205 416.89999:287 421.79999:106 422.89999:40 429.10001:3738 430.10001:1572 430.89999:1162 431.89999:385 432.70001:219 442.89999:153 444:54 444:175 445.79999:71 457.20001:93 457.79999:98 460.70001:39 461.70001:73 462.79999:64 487.10001:17554 488.10001:6385 489:2760 489.89999:634 490.89999:161 502:315 502.60001:282 503.60001:62 504.89999:36 512.09998:141 532.90002:48 548.90002:42 117200.9 96469.22 85239 86731.89 92704.11 85275.55 103819.6 135844.9 102771 111322.8 133665.4 110370.8 111937.8 108851.4 89404.55 95117.34 162421.2936 160547.0586 68024.58673 69230.08756 934 13.341 495973.06 263 "2,6-ditert.butylphenol" 0.319 8.275 496496 DKCPKDPYUFEZCP-UHFFFAOYSA-N 340 FALSE FALSE FALSE FALSE 90.4 0 97.4 85.8 89.6 79 87.8 36.45 42643_C-D145 51:164 52:307 53:0 57:0 58:1 60:42 61:72 61.7:122 62.9:430 63.7:47 65:640 66:154 67:0 70:0 71:1 72:1 73:17493 74:1 75:1699 78:247 79:873 79.9:251 82:1 83.9:1 85:1 87.9:107 88.9:275 89.8:206 90.9:3279 91.9:288 93:248 93.8:438 94.9:959 99:0 100:473 100.9:108 101.9:246 102.9:55 103.8:292 104.9:1195 105.8:223 106.9:525 112.9:0 114.9:2086 115.9:1203 116.9:0 117.8:376 118.9:726 120.9:252 123.9:531 127:1 127.9:1293 129:2306 130:462 132.89999:0 133.89999:565 134.8:874 136.7:164 140.89999:523 141.89999:196 143:0 145:799 146:232 146.89999:1 147.8:0 148.89999:625 149.89999:144 150.89999:651 151.8:24 154.10001:190 158:704 158.89999:726 159.8:408 160.89999:930 161.7:216 162.8:710 163.8:169 164.8:340 167.8:1 168.89999:192 169.89999:0 170.89999:322 171.89999:335 173.89999:121 175:5097 175.89999:734 176.89999:667 177.89999:147 178.8:505 179.8:164 180.89999:10 185.89999:87 186.89999:314 188.8:810 190:688 190.89999:1069 191.89999:523 193.89999:86 196.7:94 197.8:97 199.8:212 202.7:410 203.7:216 204.8:878 206.10001:254 207.10001:946 207.7:52 208.8:253 211.10001:457 214.7:43 215.89999:365 216.89999:652 217.7:244 218.89999:563 219.8:34 220.89999:490 221.8:198 222.8:92 223.7:53 226.89999:121 232.8:530 233.89999:180 234.89999:337 238.89999:68 244.7:459 247:2635 247.8:728 249:487 254.7:170 259.70001:44 263:77055 264:17315 265:3786 265.89999:478 266.79999:219 269.5:51 275.89999:12 276.70001:137 278:10613 279.10001:2360 279.89999:641 285:1 294.89999:163 344.79999:92 354.79999:120 382.79999:328 428.89999:19 67 53743.11 54717.33 58662.22 77055.11 53248 67329.78 88042.66 71743.11 68934.22 112834.7 78758.22 152.1111 74036.45 74769.78 60252.45 41657.9911 40767.0035 37556.02016 37828.55814 720 10.785 387821.56 135.903 2-deoxytetronic acid 0.722 6.509 390517 UFYGCFHQAXXBCF-UHFFFAOYSA-N 440 FALSE FALSE FALSE FALSE 77.6 0 85.3 72.5 58.3 87.7 84.4 24.34 43539_C-B22 52:508 54.1:243 58:6255 59:5181 61:2460 64:83 65:12 66:3 67:1465 67.9:982 69:1009 72:2665 73:74349 74:6712 75:13116 75.9:1472 77.9:843 79.9:84 81:330 83:589 84:2598 86:4086 87:0 88.9:148 90.9:277 92:75 94.8:715 97:224 97.9:147 99.9:2976 100.9:920 101.9:6361 102.9:641 103.9:111 104.7:481 107.8:25 108.8:256 109.9:1130 111:817 112:4027 114.9:1513 116:903 116.9:27305 117.9:4137 118.8:1403 119.8:30 121.9:831 124.9:475 128.89999:1320 129.89999:2552 130.89999:2985 131.89999:496 132.89999:5246 134:720 134.89999:574 135.89999:11011 136.7:579 138.89999:19 142.89999:1129 143.89999:236 145.8:757 146.89999:26245 147.89999:4042 148.89999:4020 149.8:504 150.89999:228 151.8:132 153.89999:310 155.10001:259 155.89999:112 156.8:75 157.89999:47 161.89999:149 162.8:293 163.7:70 165.89999:643 166.8:39 168:467 168.89999:735 170.8:829 172.8:262 174.89999:388 177:394 177.7:313 178.89999:221 179.89999:71 180.89999:60 182.89999:1 184.89999:818 185.8:239 188.8:1071 189.8:73 190.89999:286 196.8:157 197.7:16 199:147 199.89999:605 200.8:425 201.7:125 202.89999:2692 203.8:892 204.8:598 208.8:11 212.89999:137 214.8:1741 215.8:256 217.89999:45 219:932 219.89999:4054 220.89999:1507 221.8:801 222.8:92 227.8:2345 228.8:233 230:544 230.89999:1008 231.8:706 235.8:1350 237.89999:823 241.89999:1109 242.89999:459 250.8:229 251.8:550 252.8:201 258.89999:1401 259.70001:333 260.70001:193 267.70001:158 268.5:203 276.5:210 282.70001:33 292:7359 292.89999:2806 293.89999:1442 294.79999:10 320.89999:489 321.79999:185 354.60001:7 358.5:95 372.70001:21 10664.11 8508.223 7854.444 8819.111 5705.667 8771.333 7654.556 8117 8157.222 10589 10040.78 8579.333 10850.22 10277.44 8763 7932.889 10157.33335 10329.93471 2181.791227 2201.306328 336 8.075 259549.06 73 2-hydroxybutanoic acid 0.792 4.303 258161 AFENDNXGAFYKQO-VKHMYHEASA-N 340 FALSE FALSE FALSE FALSE 90 0 98.6 84.3 72 97.1 95.2 14.99 43469_T-A22 51:81 52:2206 53:323 54:328 55:1630 56:167 57:3179 58:4086 59:18838 60:3004 61:6325 61.8:149 62.9:175 63.8:4 66:26144 66.9:439 68:234 69:1488 70:1782 71:1954 72:6767 73:286596 74:204 75:37694 76:3060 76.9:1788 78:185 79:159 80:790 81:17236 84.9:1227 86:2904 89:537 89.8:96 92:89 93.9:685 95:4758 95.8:554 97.9:108 98.9:2816 100:201 101:4556 102.9:2286 104:640 104.9:1112 105.9:252 107:121 107.8:97 108.9:968 109.9:73 110.9:330 111.8:135 112.9:525 115:5051 115.9:801 116.9:3833 117.9:1163 118.9:2117 120:255 121.9:108 123.8:105 126:604 129:619 131:213048 132:27333 132.89999:28342 133.89999:2948 134.89999:1759 135.7:275 136.60001:0 137.89999:8 138.89999:5 139.7:278 141:107 142.89999:1948 143.89999:125 146.89999:176334 147.89999:29669 148.89999:15939 149.89999:1995 150.8:505 151.8:65 154.89999:22 155.8:9 158.89999:78 160.8:68 161.60001:40 162.89999:163 167.89999:12 169.8:40 170.8:139 172.8:66 173.8:1 174.89999:702 175.89999:1 177.7:1 183.89999:92 185.8:36 187.7:200 188.89999:383 190:11601 190.89999:3031 191.89999:1329 193.7:35 197.10001:132 199.8:227 202.60001:109 203.89999:0 204.89999:15573 205.89999:3438 206.89999:1850 207.8:386 208.89999:28 210.8:174 216.8:376 217.8:46 218.89999:1443 219.8:34 220.89999:206 223.8:175 224.8:39 231.89999:36 232.89999:9234 234:1725 234.89999:339 235.89999:94 236.8:34 239.89999:73 240.89999:141 246.8:178 247.89999:641 248.7:150 262:142 266.60001:205 280.70001:20 324.5:55 354.70001:329 474033.8 332364.6 268767.3 349889.1 108369.4 624403.3 284383.6 376004 361056.1 351803.1 622567 449870.8 122038.4 363173.7 42749.67 208724.1 304332.8246 367859.9383 231886.7139 286233.3392 966 13.711 510723.84 128.9867 2-hydroxyglutaric acid 0.736 8.482 508940 HWXBTNAVRSUOJR-UHFFFAOYSA-N 340 FALSE FALSE FALSE FALSE 89.4 0 99.3 82.8 77.6 88.3 87.8 12.03 84706_C-A22 51:315 52:374 52.9:1321 53.9:944 55:3594 59:8093 60:989 60.9:1599 62.9:404 65:13 65.9:468 67:927 68:1739 72:11904 73:134000 74:10513 75:30607 76:2411 76.9:7247 78:285 79:389 79.9:12 81:1072 84.9:4569 87:1064 87.9:2655 88.9:1777 89.9:284 90.9:1539 92:248 92.8:159 94.9:2695 95.9:835 98:384 101:4927 101.9:410 103.8:790 104.8:746 105.9:96 106.9:34 109:96 109.9:1952 112.9:3512 115:7424 115.9:13909 116.9:4273 118.9:749 119.9:612 120.9:64 129:189382 129.89999:20228 130.89999:17479 132:2033 132.89999:24516 133.89999:8914 134.89999:2887 135.89999:336 136.89999:274 143:1020 144.89999:622 146.89999:101060 147.89999:15808 148.89999:28771 149.89999:3529 150.89999:1821 151.8:232 152.8:190 153.89999:297 156:1261 156.89999:24061 158.89999:5987 161:561 161.89999:686 162.89999:3041 164:541 164.8:279 169.89999:2345 170.89999:50 174.89999:1745 175.89999:482 176.8:477 177.8:152 178.8:210 180.8:393 183.89999:14984 184.89999:9753 186:924 186.8:934 188:789 189:1695 189.8:945 190.89999:601 194.8:15 196.7:81 197.8:521 200.8:148 202.89999:30534 203.89999:8797 204.89999:3673 205.8:699 206.8:1030 207.89999:88 211.10001:255 211.8:184 214.89999:235 215.7:124 216.89999:1527 218:3530 218.89999:1373 219.8:581 220.8:2431 221.89999:570 222.89999:404 223.7:55 229.89999:364 230.89999:8221 232.89999:181 242.89999:131 243.8:629 245:752 246.89999:102834 247.89999:22250 248.89999:9183 249.8:1405 250.8:256 251.7:51 252.89999:113 253.89999:110 254.8:135 256.89999:1029 258.89999:1518 259.79999:366 260.89999:1099 261.70001:386 262.89999:455 265.70001:39 266.70001:167 270.79999:40 271.89999:8553 272.89999:2027 273.79999:886 274.79999:782 276.79999:367 280.79999:63 284.79999:264 291.79999:480 294.79999:122 298.89999:145 299.79999:207 300.79999:88 301.89999:386 313.89999:67 320.89999:2625 321.89999:883 322.79999:299 343.89999:270 344.70001:137 348.89999:20189 349.89999:6241 350.89999:3168 351.89999:509 352.79999:115 353.79999:1222 354.79999:321 355.60001:162 368.89999:6367 369.79999:1535 370.89999:743 414.60001:261 424.10001:96 319.3333 684.7778 639.3333 28682.89 26458.55 14881 29739.45 21186.55 17731.67 428.5555 809.3333 14422.11 19129.22 31414 19064.11 32659.11 55825.64033 39191.42465 69055.29789 43860.30446 529 9.328 322757.03 146.9176 2-hydroxyhexanoic acid 0.625 5.385 323093 340 FALSE FALSE FALSE FALSE 81.2 0 97.3 70.5 62 72.6 91.7 10.39 43469_T-A22 51:0 52:343 53:0 54:1 55:0 56.1:1 57:1 58:467 59:0 59.9:0 61:1 61.9:1 62.9:1 64.9:462 66:1864 66.8:0 67.9:1 69:1 70:0 70.9:1 71.9:711 73:8920 74:0 75:0 76:109 77:1108 79:169 80:178 80.9:1 81.9:1 84:0 85:117 85.9:689 87:1 87.9:0 88.9:0 90:120 90.9:111 92.8:1 93.8:1 94.9:0 96:471 96.8:0 98:1 98.9:536 100:332 100.9:1 101.9:74 102.9:5693 104:591 104.8:531 108:10 108.7:106 109.9:41 110.9:0 111.9:833 112.9:97 113.8:6 114.9:0 115.9:235 117:0 117.9:247 118.9:292 119.9:128 120.8:0 121.7:181 122.8:168 123.8:234 125.1:153 125.9:484 127:664 128:240 129:1 129.89999:363 130.89999:1156 132.89999:1266 133.89999:532 134.89999:231 135.8:275 136.8:1 139:0 139.89999:189 141:1 141.89999:1 142.89999:0 144:0 144.8:92 146.89999:22697 147.89999:4096 148.89999:2298 149.89999:243 150.8:290 151.89999:20 152.89999:159 153.8:136 154.8:0 155.89999:0 156.8:131 157.8:50 159:7388 160:877 160.8:585 162.7:57 164.89999:156 165.89999:721 166.60001:141 168.60001:191 170:118 171.89999:78 172.8:198 173.89999:115 174.89999:252 176.8:540 177.8:85 178.89999:180 179.89999:51 180.89999:327 181.8:70 194.7:92 195.89999:260 199.8:82 202.8:130 204:388 204.89999:1 206.8:188 207.8:2 211.8:18 215.89999:50 217.8:127 218.89999:324 220.89999:60 224.89999:194 227.8:810 233:574 234.8:138 238.7:30 244.8:0 246:171 260.70001:502 261.89999:119 278:1 281:145 282.89999:110 298.60001:25 299.79999:49 313.70001:93 317.79999:836 354.5:61 119444.7 5451483 5322384 5889950 1124.255566 3299285 6147193 6076188 5759888 72506 97777.22 119092.1 109593.3 79042.11 88286.22 5971259 1386362.068 1975180.248 2354512.662 2603341.064 1416 19.055 723222 205.9 2-hydroxyhippuric acid 0.931 12.091 725465 ONJSZLXSECQROL-UHFFFAOYSA-N 440 FALSE FALSE FALSE FALSE 85.5 0 87 84.6 80.5 90.1 85.7 56.95 38057_C-A13 50.9:604 53:32 56:2765 57:1462 58:1552 59:2399 60:831 61:829 62:150 63:527 64.1:592 64.9:2264 66:172 73:53480 75:10434 76:1275 77:3448 78.9:692 79.9:396 80.9:161 82.9:265 83.9:816 84.9:14 88:1874 88.9:323 89.9:895 90.9:7507 92:2405 92.9:1213 95:489 95.9:789 103:1526 103.9:509 104.9:1450 106:254 106.8:475 107.9:187 108.9:120 116.9:857 117.9:249 118.9:1060 119.9:3999 120.9:2574 121.9:948 122.9:646 123.9:0 130.89999:3231 131.89999:240 132.89999:992 134.89999:11468 136:1296 136.89999:873 137.89999:255 144:430 145.89999:589 147.89999:1063 148.89999:3632 149.89999:2139 150.89999:6232 151.8:941 153:1072 154.8:748 155.8:431 158.89999:1119 159.89999:625 160.89999:2400 161.8:1053 162.89999:1047 163.89999:803 164.8:939 165.7:208 167.89999:226 173:13360 174.89999:3883 175.89999:5529 176.89999:3632 177.89999:3380 178.89999:4328 179.89999:724 180.8:494 181.89999:399 183.89999:455 185.89999:1251 189.89999:612 191:932 192.89999:48841 193.89999:8777 194.89999:3981 195.89999:544 197.8:381 204:1114 205.89999:58595 206.89999:10873 207.89999:3087 208.89999:502 209.8:245 216.89999:1361 217.8:1631 219:366 219.89999:765 221.8:233 223.89999:249 225.8:302 232.89999:4803 233.89999:3124 234.89999:995 235.8:509 237.89999:62 245.89999:64 246.89999:470 248.8:447 249.89999:729 250.8:250 251.8:109 252.89999:5 263.89999:122 265.79999:934 266.79999:371 275.89999:232 276.89999:288 277.89999:540 279.89999:654 280.89999:396 285.79999:96 287.89999:180 292.79999:53 294:3917 294.79999:1106 295.89999:522 296.89999:107 299.70001:267 304.89999:1265 305.79999:612 306.89999:131 307.89999:77 308.79999:26 314.89999:14 321.79999:431 323.89999:58500 324.89999:14968 325.89999:6375 326.89999:457 327.89999:133 329:362 335.60001:14 336.29999:96 338.89999:1806 339.70001:562 340.70001:177 341.79999:35 343.79999:82 345.79999:84 346.89999:190 347.89999:147 348.70001:182 352.79999:140 353.60001:36 362.89999:17 368.60001:80 372.5:152 377.89999:1032 379:331 379.60001:121 384.70001:46 386.70001:61 387.79999:146 389.5:223 389.5:253 391.79999:371 392.79999:48 399:24 414.70001:259 436.89999:184 448.70001:65 493.89999:389 2451 1906.889 2061.333 3118.222 3235.111 1448.111 7606.778 2813.889 5378 1967.778 3130.444 1421.778 2403.556 1430.556 1880.889 979.4445 11624.14624 6005.634015 12896.79659 6872.564165 314 7.927 252827.33 146.9375 2-hydroxypentanoic acid 0.5 4.233 253973 JRHWHSJDIILJAT-UHFFFAOYSA-N 340 FALSE FALSE FALSE FALSE 81.3 0 96.1 71.5 100 24.1 81 43.41 42154_T-D145 51:1481 52:952 53:1111 54:648 55:0 56.1:0 57:1 58:182 59:0 59.9:1 62:143 65.9:304 70:256 71.9:1 73:1 75:1382 76:381 79.9:806 81:937 81.9:512 83:42 84:1417 85:1429 85.8:218 87:1 88.9:311 95:739 98.9:136 99.9:61 100.9:3009 102:1806 103:0 108.8:89 111.9:1084 112.9:74 113.9:135 114.9:2021 115.9:487 116.9:738 117.9:116 118.9:1 121.6:31 127:1276 128:96 128.89999:836 129.8:778 131:989 132:30 132.89999:0 134.8:1 135.89999:590 140.7:1 141.7:166 143.8:0 145.89999:164 146.89999:437746 148:1 148.89999:629 149.89999:177 153.8:1 157.89999:511 159.89999:56 163.7:162 164.7:0 166.8:324 168.7:75 174:50 174.60001:1 175.89999:47 177.89999:6 179:1337 183.8:51 189.89999:294 198.8:41 199.7:227 203.7:1 204.89999:1 205.89999:1 216.89999:87 218.89999:0 219.7:83 227.7:11 234.7:1 238.8:0 246.8:2571 247.89999:186 257.70001:60 340.79999:29 27635.55 27178.55 1649.333 926.5555 27574 79210.45 448973.6 476514.8 44242.67 14867.67 16444.78 4559.556 287321.7 16037.78 264504.3 478123.2 236199.5468 214038.9151 316519.8442 246089.911 168 6.863 207706.64 151.9167 2-hydroxypyridine 0.236 3.474 208433 UBQKCCHYAOITMY-UHFFFAOYSA-N 340 FALSE FALSE FALSE FALSE 88.6 0 99.5 81.3 76.7 90.8 76.5 128.65 42907_T-D145 53:90 55.9:615 63.7:23 69:2583 78:5471 79:590 80.9:16 81.9:48 83:616 83.9:110 89.8:611 90.9:473 92.1:577 94.9:197 95.9:319 97:1284 97.9:232 98.9:162 105.8:243 107.9:115 108.9:186 109.9:827 110.9:213 112:373 113.9:145 121.9:2708 124:85 126:1 130:424 135.89999:749 137:593 137.89999:425 140:5011 140.8:420 141.8:78 150.89999:308 151.89999:38429 152.89999:5571 153.8:1495 154.89999:85 156.89999:347 158:22 158.8:64 159.8:70 162.8:0 166:4566 167:3786 167.8:745 168.8:858 169.89999:55 171.8:61 172.7:210 175.89999:123 176.89999:247 177.8:212 178.89999:40 183.89999:67 185.8:1 186.89999:667 187.7:100 194.89999:147 196.7:868 198.8:46 203.8:107 206.89999:176 207.8:111 208.8:90 211.89999:36 216.8:85 221.89999:2 223:39 223.7:105 227.8:47 232.89999:21 239.7:1 280.70001:83 294.60001:36 340.60001:93 354.60001:24 703.3333 38715.89 22918.67 28941.45 27099.45 28437.33 34504.11 28951.33 38672.11 472.5555 317.6667 458.8889 893.1111 232 24605.33 31439 9764.669475 12558.12406 14941.37441 15800.94135 488 9.196 311937.47 146.9286 2-hydroxyvaleric acid 0.681 5.16 309587 JRHWHSJDIILJAT-UHFFFAOYSA-N 440 FALSE FALSE FALSE FALSE 84.8 0 95.4 77.8 60.4 95.4 95 6.21 42945_T-A13 52:1025 52.9:19 54:371 55:1733 56:1598 57:7316 58:98 59:379 59.9:175 60.9:1039 66:216 71:1084 72:578 73:14062 74:7581 75:9834 76:351 77:607 77.9:68 79:145 83:461 83.9:709 85:3389 88.9:1047 90:157 91.9:35 92.8:204 93.7:276 95.1:2901 96:634 96.9:45 98:526 99:439 101:1292 102:603 102.9:501 104.8:119 105.9:85 108.7:152 112:767 112.9:790 114.9:3120 115.9:2459 116.9:1844 117.8:27 120.9:74 125.9:1372 126.9:1830 127.9:4163 128.89999:503 129.89999:10 131:27877 131.89999:3299 133:2577 137.7:12 138.89999:901 139.89999:418 146.89999:31643 147.89999:4063 148.89999:2589 149.89999:288 154.8:83 157:597 157.89999:19 158.89999:114 160:594 162.89999:252 164:76 165.60001:17 166.8:14 170.8:483 171.8:135 172.8:91 175.89999:35 176.7:155 183:35 184.60001:653 185.89999:165 186.7:129 187.89999:216 188.89999:63 189.89999:784 190.8:287 192:140 192.89999:253 202:3472 202.89999:962 203.89999:1522 204.8:1959 205.8:517 206.89999:117 211.89999:141 214.7:749 215.8:27 216.89999:116 219.89999:1545 220.89999:658 221.89999:278 223.8:14 229.89999:945 230.89999:57 231.8:225 244.8:672 245.89999:30 246.89999:3048 248:625 248.8:547 256.5:219 292.89999:171 293.79999:55 294.79999:90 307.79999:1306 308.79999:389 310:159 322.70001:120 354.70001:37 14120.89 101440.1 14131.33 42006.89 118005.2 82952 34588.11 30312.67 80650.34 14031.11 14406.22 11389.44 43346.89 12345.56 81166 11767.44 37079.24879 39155.90203 35892.33465 24915.44415 489 9.123 312086.75 73 2-ketoisocaproic acid 0.458 5.179 310761 BKAJNAXTPSGJCU-UHFFFAOYSA-N 340 FALSE FALSE FALSE FALSE 84.5 0 98 75.5 62.7 89.1 86.8 18.53 37991_C-A22 51:961 52:989 53:2045 54:2535 55:6498 56:16844 57:4084 58:12360 59:12393 59.9:1589 61:3684 61.9:449 63:81 63.9:380 64.8:77 66.9:464 67.9:1357 70:2304 71:33399 72:4421 73:110002 74:10359 75:12990 76:1074 79.9:630 80.9:642 82:27669 83:2380 83.9:9431 85:446 85.9:1888 87.9:453 89:44076 90:4028 90.9:3003 92:276 94.8:94 97:65 98:6268 98.9:30116 100:4908 107.8:79 108.9:314 110:11209 110.9:904 111.9:569 113:1007 114:7617 115:18005 115.9:2393 118.9:546 121.7:1 124.9:175 126:2485 126.9:46 138.89999:51 140:3164 141:558 142:17 143:2299 152.89999:162 153.89999:1513 154.89999:453 156:947 157.89999:1864 158.89999:92 159.89999:123 167.7:66 168.7:214 171.8:263 173.8:2106 175.7:216 179.7:145 181.8:1104 182.7:669 183.89999:353 184.8:426 185.7:44 188.89999:32507 190:4315 190.89999:1249 191.89999:21 200:43465 200.89999:6827 201.89999:2047 215.89999:36657 216.89999:5904 249.7:36 282.70001:231 354.79999:107 368.70001:103 17610.45 148806.1 57712.67 105046.9 18755.22 117283.7 44841.89 45512.45 126673.3 229675.1 14188.56 19822.11 221911 25600.11 112718 64724.45 135911.1394 125617.4401 313868.1691 164016.0094 1673 23.252 892150.44 217.9275 2-monopalmitin 1 14.839 890356 BBNYCLAREVXOSG-UHFFFAOYSA-N 340 FALSE FALSE FALSE FALSE 83.7 null 89.4 80 74.1 87.1 83.6 8.76 43539_C-B22 52:167 54:387 55:4284 56:1235 57:7764 58:708 59:1676 59.9:289 61:290 62.1:45 63.8:47 68:1 69:1566 70:509 71:1525 72:559 73:16509 74:1072 75.9:560 81:212 83:1272 84:474 85:833 85.9:189 86.9:402 87.8:114 88.9:1343 89.9:102 95:652 96.9:979 98:969 100.9:1550 102.1:102 103:10701 103.9:961 109:443 109.9:87 110.9:320 113:434 113.8:243 114.9:658 115.9:1 122:0 122.9:195 124:490 128:223 128.89999:21511 129.89999:3006 130.89999:2591 131.89999:2 132.89999:1503 134.89999:83 136.89999:24 138.89999:126 141:119 142:49 142.89999:1 144.89999:330 145.8:381 146.89999:11655 147.89999:1555 149:1644 149.8:378 150.89999:151 152.8:130 155.8:79 158.8:62 159.7:39 160.89999:126 162.89999:622 163.89999:70 164.89999:31 167.89999:141 174.89999:118 175.8:65 177:205 179:165 179.8:25 182.89999:80 186.89999:105 187.7:264 188.8:29 190.89999:4119 191.89999:752 192.8:211 193.7:109 194.89999:136 198.8:71 200.8:747 202.89999:3850 203.89999:1425 204.89999:794 205.8:110 206.89999:445 212.7:1 213.8:73 216.89999:4205 218:15895 218.89999:3576 219.89999:1220 220.8:764 224.89999:126 225.8:30 226.89999:0 227.7:42 228.89999:152 229.89999:103 230.89999:131 231.60001:0 232.60001:19 236.7:3 239:1314 239.89999:434 240.60001:1 241.8:65 242.8:93 243.8:116 246.10001:26 246.89999:87 248.89999:155 250.7:57 252.8:96 253.60001:41 255.89999:106 256.89999:249 257.89999:38 258.89999:4 259.89999:147 261:137 262.79999:164 265.79999:38 268.79999:362 272.70001:44 273.79999:144 274.70001:102 275.79999:36 276.70001:480 277.89999:339 278.60001:19 279.70001:18 282.70001:155 284:104 284.89999:50 288.89999:10 290.79999:196 294.79999:19 299.89999:68 300.79999:66 304.70001:51 308.79999:163 311:144 311.89999:258 313:3649 313.89999:975 315:146 315.89999:32 316.70001:104 317.70001:69 318.79999:44 326.89999:302 327.89999:181 328.89999:325 329.89999:99 338.10001:45 338.60001:60 340.89999:203 342.10001:95 342.10001:119 342.79999:31 352.89999:127 353.70001:57 354.20001:95 356.89999:116 357.60001:130 357.60001:170 360.79999:89 366.70001:190 368.20001:7 368.79999:12 370.79999:63 372.70001:64 383:231 383.79999:155 386.70001:305 400.89999:417 402:165 402.89999:615 403.89999:237 404.89999:146 415.89999:73 440.79999:38 448.79999:43 459:811 459.89999:241 480.89999:65 6320.333 5260.222 4738.889 5355.333 4965.444 4441.444 5550.444 5984.222 6015 6074.111 6507.333 5730.556 5505.778 5646.444 4718.556 4966.444 8529.055471 7959.679688 3402.34905 3137.00753 1729 24.71 950503.25 128.9276 2-monostearin 1 15.825 949523 YQEMORVAKMFKLG-UHFFFAOYSA-N 340 FALSE FALSE FALSE FALSE 84.3 null 95.2 77 66.8 86.6 88.7 27.94 38467_T-B22 51.9:189 53:217 54:486 55:3297 56:1030 57:3751 57.9:642 59:1419 59.9:587 60.9:378 61.8:49 64.8:24 65.8:100 67:699 68:225 71.9:673 73:15764 74:352 74.9:3267 75.9:460 77:437 77.9:141 78.9:384 79.9:32 80.9:1186 82:168 83:875 83.9:238 86.2:1020 88:476 88.9:1091 89.8:114 90.9:212 92:7 92.9:472 94.9:520 95.8:140 97:500 98:733 100:30 100.9:1537 101.8:328 103:9706 104:913 105:928 106.8:192 107.9:68 108.9:858 113:177 113.9:274 115:64 115.8:383 116.9:1020 118.9:208 120.9:111 122.9:380 128.89999:21022 129.89999:2767 130.89999:2839 131.89999:349 132.89999:2008 133.89999:242 134.89999:141 136.7:276 139.8:41 143.8:21 144.89999:716 146:559 146.89999:11330 147.89999:2000 148.89999:1558 149.89999:220 151:77 151.89999:26 156.89999:120 157.8:54 158.89999:450 159.8:419 161:512 161.7:77 162.89999:770 163.7:6 164.89999:105 169.7:11 172.8:165 173.89999:390 175:905 175.8:195 176.89999:400 178.8:26 181.5:106 182:46 185:126 185.8:121 186.8:70 187.89999:28 188.89999:214 189.89999:55 191:4277 192:741 192.8:392 193.8:81 197.89999:41 201:704 201.89999:287 202.89999:4372 203.89999:2220 204.89999:1156 205.7:251 206.8:412 212.89999:126 213.89999:93 214.8:87 216.89999:3592 218:15701 219:3946 219.89999:1328 220.89999:1252 222.89999:336 227.8:47 232.7:81 233.8:13 234.8:20 236.7:153 236.7:153 239:24 241.7:12 243.89999:108 248.8:51 250.7:70 255.8:88 256.79999:190 259.79999:57 264.89999:13 267:1013 267.89999:218 269:1455 269.89999:436 271.89999:12 272.79999:27 276.89999:28 277.79999:183 278.79999:111 280.79999:625 281.60001:80 284.89999:154 285.89999:24 288.79999:34 290.89999:123 293:39 298.79999:40 301.89999:132 302.89999:155 303.70001:100 304.89999:161 308.79999:8 312.39999:323 313:105 315.60001:8 318.89999:332 319.79999:98 320.79999:44 326:24 326.79999:52 328.89999:86 330.70001:42 331.89999:86 341:3918 342:1099 342.79999:259 343.60001:82 344.79999:58 354.79999:603 355.79999:169 357:357 358.79999:15 359.89999:76 360.89999:511 361.79999:150 363.89999:39 368.79999:247 370:113 372.60001:76 384.5:5 385.79999:66 393.89999:50 398.60001:120 400.89999:68 401.79999:121 402.60001:93 412:316 412.89999:121 414.60001:170 415.60001:162 416.70001:94 428.89999:709 430.10001:276 430.89999:744 432:357 432.89999:84 436.89999:57 446.5:50 460.60001:181 474.5:81 479.79999:44 487.10001:958 487.89999:351 488.79999:193 502.70001:110 549.79999:33 562.70001:47 11924.78 9761.111 8465.111 9786.667 9769.111 8289.667 10577.11 13774.78 10761.11 12208.22 12968.22 10898.67 12208 10696.56 8625.444 9005.333 15213.54392 14479.85633 5171.523832 4846.527615 1143 16.383 616443.25 73.01428 3-deoxyhexitol 0.917 10.286 617140 340 FALSE FALSE FALSE FALSE 82.8 0 99.3 71.8 56.8 80 100 178.09 43664_C-A13 51:148 52.1:1646 53:16431 54:7762 55:57710 56:10607 57:22041 58:46107 59:142431 60:17253 61:25420 61.9:1508 63:1248 65:2417 66:13421 67:17547 68:14311 69:77571 70:22277 71:21118 73:2255438 74:573763 75:499815 76:26768 77:14530 78:1185 79:1653 79.9:1724 81:13610 82:6801 83:18978 84:13081 85:22301 86:9258 87:19222 88:26880 89:38676 90:6228 91:1487 91.9:24 93:2499 94:584 95:1509 96:6888 97:24605 98:9695 99:31747 100:19349 101:86405 102:35262 103:296376 104:31796 105:27869 106:2788 107:5115 107.9:571 109:7124 110:4386 111:23185 112:8240 113:24398 114:10042 115:35423 116:23832 117:174055 117.9:21915 118.9:37878 119.9:810 121:6022 122:1600 123:4248 123.9:3224 125:22023 125.9:6762 127:24793 128:4774 129:312957 130:59568 130.89999:160930 132:28250 132.89999:346943 133.89999:50367 134.89999:37887 136:2874 136.89999:5722 137.89999:3586 139:6858 140:11498 140.89999:75066 142:48887 143:142975 144:20924 145:27988 147:1712120 148:281500 149:217079 150:28103 150.89999:19671 152:5380 152.89999:5863 154:2508 154.89999:16078 156:11949 156.89999:62760 157.89999:15253 158.89999:20250 160:4687 161:23074 161.89999:4989 162.89999:17502 164:3674 164.89999:4508 165.89999:7159 167:3504 168.89999:44841 170:10719 170.89999:12531 171.89999:7782 172.89999:14504 173.89999:3864 174.89999:29848 175.89999:6339 176.89999:25984 177.89999:7197 179:3111 179.89999:4304 180.89999:5082 181.89999:620 182.89999:7673 183.89999:2099 185:10790 185.89999:2577 186.89999:10790 187.89999:1176 188.89999:132834 190:40469 191:180148 192:42938 192.89999:29155 193.89999:3449 196:4956 197:4328 198:3709 198.89999:3029 199.89999:1711 200.89999:17915 201.89999:7490 202.89999:25010 204:45618 205:175364 206:56528 206.89999:62905 207.89999:18339 208.89999:4920 210.89999:1368 212:830 213:7921 214:6174 215:100406 217:292640 218:450220 219:251643 220:52424 220.89999:96831 221.89999:22262 222.89999:10591 225.89999:310 226.89999:3025 227.89999:1386 229:55995 230:74986 231:106416 232:33323 233:21063 233.89999:5412 234.89999:4790 235.8:1537 236.89999:877 238.89999:1091 241:2181 242.89999:21649 244:13264 244.89999:27233 246:7431 247:14675 247.89999:3869 248.89999:5333 249.89999:1209 250.89999:1368 251.8:583 253:682 253.89999:792 254.89999:4388 256.89999:165775 257.89999:53818 258.89999:33155 259.89999:5434 260.89999:2048 261.89999:322 262.89999:16 264.89999:209438 265.89999:46351 266.89999:20378 267.89999:3532 268.89999:515 270.89999:9787 272:1753 272.89999:6364 273.89999:1456 274.89999:2929 277:21428 278:7714 278.89999:12478 279.89999:81057 280.89999:19265 281.89999:7978 282.89999:1285 284:118 284.70001:199 285.89999:78 287:872 287.89999:821 288.89999:3594 290.89999:29625 291.89999:37603 293:54319 294:18288 295:8582 296:1320 296.89999:262 297.89999:906 298.89999:712 301:521 303:49150 304:23083 305:73568 306:28338 307:16117 308:4350 308.79999:1074 309.89999:390 311.60001:102 313.89999:264 314.89999:1389 316.89999:6889 318:3022 319:91170 320:32804 320.89999:16617 321.89999:4342 323:1109 323.70001:345 324.70001:281 327.70001:88 328.79999:730 330.89999:17092 332:3713 332.89999:15609 333.89999:5562 334.79999:1385 335.89999:93 337.89999:63 338.60001:94 341.10001:49 344.89999:11441 345.89999:4283 346.89999:66354 348:21171 348.89999:19764 349.89999:5234 350.89999:2220 352:582 353:286 353.89999:167 356:293 356:146 357.79999:21 358.89999:552 361:10221 362:3148 362.89999:9372 363.89999:3302 364.79999:1278 365.89999:565 367:2376 367.79999:929 368.89999:521 369.89999:214 375.89999:134 376.89999:254 377.89999:526 378.89999:2066 379.89999:818 380.89999:1363 381.79999:291 382.70001:126 383.70001:51 391.10001:341 392.89999:609 394:1539 395:1818 395.89999:230 396.60001:343 405:1865 405.89999:1961 406.89999:17 407.89999:405 416.79999:131 417.79999:145 418.79999:91 419.89999:309 420.89999:1180 421.79999:979 422.79999:523 423.60001:182 428:55 433.60001:190 437:21774 438:72674 439:52657 440:17897 441:7981 441.89999:1808 442.89999:126 443.79999:83 449.79999:435 450.79999:299 452.79999:287 453.79999:27 480.89999:184 508.89999:14 525.90002:458 527:227 596.70001:60 195361.8 102161.3 57652.22 97637.66 73790.22 62079.78 106443.3 163854.8 109750 312742.8 89338.55 89818.45 119931.6 174413 53529.11 36944.89 2391863.632 1895372.701 2515129.793 2536559.659 991 14.031 523384.22 246.916 3-hydroxy-3-methylglutaric acid 0.681 8.693 521554 NPOAOTPXWNWTSH-UHFFFAOYSA-N 340 FALSE FALSE FALSE FALSE 81.9 0 95.6 72.8 79 73.2 53.6 13.66 43469_T-A22 55:147 82:660 87:917 98.9:1892 108.9:2540 115:5244 132.89999:6070 138.89999:20 146.89999:25564 148:6674 152.89999:317 154.89999:1830 163:740 167.89999:416 170.89999:512 172:731 182.89999:2407 187.89999:4451 188.89999:3076 190.89999:870 198.89999:3249 199.8:1175 200.8:103 202.89999:2133 203.89999:1606 204.8:1010 210.8:1877 228.89999:436 230.89999:3502 231.89999:451 232.8:391 240.8:867 242:164 242.8:648 246.89999:12236 247.89999:2638 248.89999:1000 249.89999:281 252.89999:421 255.89999:0 257.89999:664 265.79999:113 271.10001:43 271.10001:59 272.79999:5317 274:2575 274.89999:1018 298.70001:32 299.89999:72 300.79999:0 309.79999:185 314.79999:236 318.89999:497 320.70001:230 327.79999:83 329.60001:335 341.89999:257 342.70001:34 343.79999:205 345.89999:58 351.60001:364 351.60001:446 353.79999:187 362.89999:3189 363.89999:1061 364.70001:659 365.79999:558 375.60001:55 398.89999:47 4878.667 2410.778 3257.222 3272.778 2315.111 2046.222 3076.889 2774.778 2786.222 3759.333 5110.556 3726.667 4249.444 4814.222 2501 1651.111 4937.067232 5198.084975 2869.212857 3173.030581 957 13.637 507571.19 266.8787 3-hydroxybenzoic acid 0.889 8.46 507599 340 FALSE FALSE FALSE FALSE 84 0 92.1 78.6 67.5 92.3 84.5 19.52 43469_T-D145 51:286 58:207 61.1:130 62:61 62.9:197 64:495 64.9:82 66:105 67:131 72:414 73:1315 74:199 75:1233 75.9:537 78:222 79:506 80:57 86.1:14 87.9:195 89.9:89 90.9:1239 92:548 92.8:362 93.9:15 100.9:318 102.9:145 104.9:493 105.6:109 106.8:176 107.8:56 108.8:225 110.9:247 112:70 113:376 114.9:37 115.9:562 117.8:23 118.9:328 119.9:23 120.9:463 121.9:281 122.9:57 126:1472 127.9:296 131:998 131.8:316 132.89999:1244 133.89999:264 134.89999:1353 136.8:246 137.7:49 142.89999:70 143.89999:84 144.8:285 145.8:28 146.89999:619 148:50 148.89999:1100 150:273 150.89999:733 151.8:246 155.89999:145 159.89999:30 160.8:89 162.89999:192 163.8:190 164.89999:548 166.7:92 172.89999:76 173.89999:1393 174.8:310 176.89999:362 177.60001:98 178.8:229 179.7:193 180.7:308 181.89999:106 182.89999:137 190.89999:336 191.7:80 192.89999:4937 193.8:1097 194.89999:735 195.89999:10 199.8:83 205.8:46 206.89999:401 207.60001:41 208.7:346 209.8:84 210.89999:1562 211.89999:351 212.89999:205 214.8:43 222.89999:4876 223.89999:1227 224.89999:722 225.8:112 227:46 227.89999:40 238.7:149 239.60001:19 241:85 241.89999:9 242.89999:386 247.10001:333 247.8:124 248.60001:79 250.7:144 252.8:205 253.8:79 255.89999:11 257.79999:148 259.79999:127 261.89999:12 266.89999:10924 267.89999:2685 268.79999:1141 269.89999:415 271:99 275.89999:492 282:4164 283:1013 284.89999:125 285.60001:136 286.89999:29 297.89999:443 298.79999:3425 299.89999:949 300.79999:297 302:7 313.70001:92 315:175 324.79999:25 326.89999:3 327.60001:385 328.70001:146 329.79999:577 330.70001:85 340.39999:176 341.79999:261 343.89999:94 344.79999:146 354.79999:1020 355.70001:289 357:25 371.79999:103 372.89999:48 6780.667 10035.22 7925.333 6034.444 5055.111 4441.222 6092.556 4340.111 4721.111 4816.556 6806.556 5465.778 4710.667 5430.111 4238.556 213.1111 3905.388922 4770.673251 2609.018879 2465.54799 372 8.313 271127.53 147 3-hydroxypropionic acid 0.667 4.488 269265 ALRHLSYJTWAHJZ-UHFFFAOYSA-N 340 FALSE FALSE FALSE FALSE 80.3 0 87.6 75.5 83 68 68 25.69 42978_C-D145 51:2855 52.9:1727 53.9:386 55:4926 57:6460 58:7429 60:3450 61:12120 64:1200 66:26730 68:1 69:1 70:1744 71:4047 72:5000 75:57023 76:3409 77.9:780 81.8:0 88:0 89.8:720 91:223 92.9:158 93.8:634 94.9:1 96.9:595 99:905 101:12343 101.9:3574 102.9:14963 103.9:981 104.9:3427 105.9:521 109.7:0 112.9:368 114.9:8928 116:7618 117:1 118:0 122.8:119 123.9:278 124.9:1 125.9:168 126.9:1 128:39 128.89999:253 130.89999:13328 131.89999:1743 132.89999:39193 133.89999:2515 134.89999:953 139:73 141:399 145:767 147:668317 149.89999:6092 152:1 152.89999:84 154.8:304 158.89999:49 160.89999:52 161.8:1 163.8:171 164.8:0 166:0 168.89999:1 169.8:0 170.89999:0 171.8:40 172.89999:266 176.89999:21341 177.89999:4041 178.89999:239 180.8:0 188.89999:0 190.89999:0 192:1 204:0 212.7:82 214.7:50 216.89999:2253 218.89999:20646 227.89999:40 228.8:88 230.89999:42 238.8:122 241.7:494 257.79999:322 340.60001:101 897013.9 1180594 502880 645050.8 65598.34 1106545 604923.6 1390572 863800.3 313658.3 692742.3 666726.3 843999.6 1259460 7375629 679376.8 766671.524 591102.249 1230762.359 469693.2046 975 13.843 515079.53 192.9258 3-phenyllactic acid 0.556 8.6 516011 340 FALSE FALSE FALSE FALSE 87 0 94.8 81.9 73.4 90 91.2 41.12 43664_C-A13 51:596 61.8:43 62.9:133 63.9:158 64.9:1426 73:2337 76.9:1347 78:414 79:690 80:331 82:1580 83:137 88.9:370 90:188 91:4910 91.9:389 92.9:446 94.8:178 101.9:411 103:1523 103.9:1800 104.9:202 106.8:79 108.7:315 109.9:2312 111:10 111:10 115.9:200 116.9:12 118.9:139 119.9:29 120.8:576 121.8:173 127.9:23 130.89999:1925 131.89999:183 132.89999:1714 133.89999:617 134.89999:442 137.8:165 145:141 146.89999:17884 147.89999:3553 148.89999:1390 149.89999:250 150.8:551 151.8:33 153.10001:181 156.89999:1 158:34 158.8:161 160.89999:29 161.60001:89 163:996 163.8:113 164.8:69 165.89999:122 166.8:94 171.89999:1545 172.89999:56 174:5 174.89999:166 175.8:14 176.89999:771 178:445 178.8:152 180.89999:146 181.89999:81 182.8:70 183.89999:440 184.89999:120 189.8:690 190.8:688 192:566 193:28023 194:4772 194.89999:1808 195.8:254 196.89999:200 197.7:69 198.8:128 199.8:298 202.89999:390 203.89999:390 204.89999:1853 205.7:601 206.8:445 207.8:156 208.7:134 208.7:93 214.8:257 218.8:2291 219.89999:5263 220.89999:1237 221.8:505 222.89999:141 225.89999:119 226.89999:504 227.89999:72 228.8:84 229.7:36 231:71 233.89999:99 234.89999:116 235.8:65 238.7:53 239.5:184 243:103 243.8:60 244.8:95 250.60001:180 251.8:107 252.89999:63 254.8:320 255.89999:379 257.79999:627 258.79999:587 259.70001:378 260.70001:30 262:141 264.5:110 266.79999:2431 267.79999:644 268.70001:410 270.70001:86 271.79999:132 272.89999:415 272.89999:417 273.79999:223 274.70001:240 275.89999:28 278.89999:717 279.70001:147 280.70001:267 282.70001:171 285.79999:295 286.89999:132 290.89999:65 294.89999:1670 295.89999:223 296.79999:24 297.70001:151 298.79999:87 299.79999:63 301:193 301.89999:493 302.89999:293 303.70001:173 327.39999:86 328.89999:58 331.60001:19 336:232 340.79999:98 342.60001:59 343.89999:185 344.70001:201 354.79999:38 355.70001:67 361.89999:194 366.79999:129 367.70001:53 368.79999:18 382.89999:68 383.79999:107 384.70001:148 393.70001:60 395.89999:97 430.70001:33 473.79999:1352 474.79999:465 906.5555 438.3333 935 1152.111 238.7778 735.3333 360.4445 615.1111 694.2222 1126.667 1057.333 810.2222 918 905.2222 604.8889 559.3333 10789.42105 11871.94118 10641.17838 14302.06141 916 13.178 488251.56 173.9923 4-aminobutyric acid 0.708 8.146 488730 BTCSSZJGUNDROE-UHFFFAOYSA-N 340 FALSE FALSE FALSE FALSE 83.4 0 98.6 73.2 85.6 50.9 80.4 260.78 42786_T-A13 51:685 53:2937 54:1006 55:10445 56:25754 57:36511 58:48594 59:7881 60:1890 61:1693 61.9:1 63:330 63.7:119 68:2188 69:17766 70:19170 71:26005 72:7203 73:60501 74:766 75:61711 76:3849 77:4602 78:129 82:2859 83:4929 85:16212 89:2493 89.9:1510 91:395 96:1112 97:13494 98:31872 99:42432 100:6668 100.9:1920 102:15196 102.9:1 103.9:2063 104.9:210 106.1:131 107:81 108.1:203 109:180 109.9:1644 111:8944 112:1065 112.9:3974 114:64770 115:13018 115.9:6544 117:5860 118:0 118.8:0 125:2316 126:272 126.9:476 128:1334 129:34347 129.89999:6484 130.89999:704 131.89999:186 132.89999:1470 133.89999:294 134.89999:987 135.8:452 136.89999:367 143.89999:2993 144.89999:1 146:3351 146.89999:1 147.89999:0 148.89999:2550 149.89999:234 151:974 151.89999:222 152.89999:1 157.89999:263 158.89999:3932 159.89999:2261 160.89999:465 161.8:313 162.89999:1677 164.89999:204 165.8:37 166.89999:167 167.8:403 170:996 171:12809 171.89999:5824 174:686426 175:92858 175.89999:32135 176.89999:2658 177.89999:505 178.89999:14 179.89999:147 181:63 181.7:581 183:5837 185.89999:3698 187:1141 187.8:16 188.89999:2053 189.89999:38 190.89999:2273 191.8:385 194.8:59 195.89999:317 196.89999:94 197.89999:80 198.89999:812 200.89999:1 201.8:0 202.8:2056 204:2134 204.89999:1 205.7:276 206.7:0 207.89999:1 209.60001:59 210.7:174 211.89999:127 213:944 214:826 215:1616 216.89999:2743 217.89999:1 218.8:0 219.8:630 220.89999:1 221.89999:225 223:26 225.5:85 226:74 226.89999:207 231:0 231.89999:13878 232.89999:3024 233.89999:1198 237.60001:80 240:279 240.7:125 241.60001:172 243:121 244.89999:1136 246:368 246.89999:12573 247.89999:1315 250.5:172 262.79999:207 264.89999:110 270.79999:60 273.89999:99 275.89999:0 276.89999:0 278.70001:156 282.79999:139 287.89999:297 289:60 290.89999:1 296.79999:127 298.70001:172 300.89999:3910 302:948 302.89999:470 306:416 306.89999:0 313.79999:1 314.89999:495 322.70001:0 328.70001:189 330.79999:168 332.89999:822 333.89999:463 334.60001:329 336.10001:103 340.89999:111 341.5:117 342.10001:70 344.89999:2944 345.79999:636 346.79999:585 347.60001:212 354.79999:0 398.79999:1126 399.79999:374 400.60001:77 413.89999:1688 414.79999:326 415.79999:301 446.79999:83 131217.8 182888.4 75136 157269.9 3614.444 197884.6 156656.6 3260.444 210665.8 202331.8 149121.6 160203.7 147401.8 159919.4 194014.7 93592.34 280428.7816 331525.528 257656.5784 262275.1283 540 9.434 326520.72 147 4-hydroxybutyric acid 0.472 5.417 325027 SJZRECIVHVDYJC-UHFFFAOYSA-N 340 FALSE FALSE FALSE FALSE 90.9 0 98.9 85.6 88.1 89.1 70.8 8.12 42788_T-D145 56:1548 58:4125 60:26 60.9:4734 61.9:375 68.9:5417 72:976 75:19456 76:2210 76.9:13 80:104 87.9:1719 88.9:247 89.9:425 99:4608 103:5639 103.9:654 104.9:424 105.9:27 109:2111 109.9:600 115:3640 115.9:2189 116.9:26970 117.9:2812 118.9:2030 120.9:105 125:215 126:315 127.9:33 129.89999:2526 132.89999:2601 133.89999:298 136.89999:203 142.89999:2714 147:155576 148:24074 148.89999:10065 149.8:921 150.89999:103 151.8:108 153:54 157.8:680 158.89999:2489 159.89999:391 160.89999:65 161.89999:225 162.7:62 164.89999:161 165.8:111 167.89999:322 169.2:296 169.7:278 174.8:126 177:173 191.8:130 193.89999:116 199.7:69 201.89999:65 203.89999:6666 208.7:34 217.8:134 218.8:196 220.7:0 232.89999:24873 233.89999:4998 235:1743 235.89999:250 245:42 260.89999:221 262.79999:95 277.89999:122 299.89999:71 310.79999:542 311.79999:14 136512.8 3462135 49173.55 251103 328.4333252 328.4333252 4902423 3872839 142495.9 65568.78 14529 117104.2 80033.34 3284.333 88286.22 4950306 818143.0423 974156.0564 1677168.235 1837494.437 1118 16.055 603465.62 266.9105 4-hydroxymandelic acid 0.667 10.028 601658 YHXHKYRQLYQUIH-UHFFFAOYSA-N 340 FALSE FALSE FALSE FALSE 76.8 0 77.7 76.2 91.9 71.9 37.8 44.75 38057_C-B22 65.9:392 77.9:18 80.9:62 82:1 90.9:604 105.8:62 107.9:113 109:0 110:0 120.9:42 121.8:0 126.9:1 127.9:612 135.89999:571 136.8:221 137.89999:112 139.89999:190 141:900 141.89999:585 145.89999:1116 159.8:108 177.89999:267 178.89999:188 180.89999:9 182:38 182.89999:851 183.8:101 186.8:728 196.89999:1 197.89999:104 198.7:0 199.89999:97 212.8:139 213.8:310 215.8:499 223.7:189 225.8:164 226.8:8 229.8:0 236.8:483 238.8:17 239.7:24 241.89999:126 243.89999:198 247:16 247.8:7 249.8:204 250.8:1218 251.89999:244 252.8:303 253.7:119 254.89999:56 255.8:228 261.79999:207 263.79999:157 264.89999:190 266.89999:31252 267.89999:7131 268.89999:2765 269.79999:463 270.79999:45 271.79999:94 273.89999:1 274.79999:1 275.89999:499 280.79999:126 281.70001:127 284.89999:49 285.89999:167 287.70001:61 294.79999:29 296.70001:71 301.70001:1 311.79999:69 336.89999:270 337.89999:105 338.89999:153 341:2017 341.89999:552 343:383 348.89999:146 348.89999:136 351:105 358.89999:265 368.89999:381 369.70001:200 373.89999:0 375.89999:525 376.70001:131 377.70001:7 378.60001:160 392.79999:1 1888 1420.333 1037.778 1289 1286.333 1099.889 1443.889 1045.444 1218.889 1535.778 1514.333 1326.778 1528.333 1362.889 1082.333 865.3333 13887.40348 12353.71249 12959.50706 14196.50861 1022 14.52 542676.69 73 4-hydroxyphenylacetic acid 0.694 9.047 542795 XQXPVVBIMDBYFF-UHFFFAOYSA-N 340 FALSE FALSE FALSE FALSE 85.2 0 99.5 75.6 56.2 93.5 98 24.64 38545_T-D145 51:1589 51.9:1263 52.9:921 54:430 55:2622 56:2222 57:2343 58:4144 59:5394 60:1114 61:3745 61.8:895 63:2402 63.9:776 65:873 65.9:773 66.9:1634 68:2070 69:4388 69.9:1580 71:1392 72:4489 73:280763 74:25308 75:45244 76:3899 77:10336 78:3002 79:1904 80:331 80.9:470 82:1574 83:1506 84:2473 84.9:931 86:790 87:490 88:374 89:6198 89.9:3952 91:2745 91.9:344 92.8:488 93.9:490 94.9:804 95.9:394 97:1189 97.9:363 99:978 99.9:587 100.9:368 101.9:333 103:419 104:1516 104.9:3258 106:468 106.9:1571 107.9:61 109:926 110:10124 110.9:740 112.1:528 112.9:599 114.9:713 115.9:829 116.9:3749 117.9:1739 118.8:1541 119.9:575 120.9:1053 121.9:75 122.9:522 124:488 124.9:258 126:966 126.9:593 127.9:245 128.89999:207 129.89999:761 130.89999:1927 132:1350 132.89999:6650 133.89999:4276 134.89999:4343 135.89999:4633 136.89999:1781 137.8:385 138.89999:366 139.89999:469 140.8:42 141.89999:434 142.89999:1699 143.89999:662 144.89999:1296 145.89999:511 146.89999:10037 148:2883 148.89999:9229 149.89999:1421 150.89999:915 151.89999:808 152.89999:517 153.8:387 154.89999:553 155.89999:679 158:90 158.89999:1154 160.10001:538 160.10001:538 161:2671 161.89999:927 162.89999:9794 163.89999:21905 164.89999:5087 166:1458 166.8:201 167.8:457 168.89999:427 169.8:89 171:449 172.8:45 173.89999:376 174.89999:560 175.8:609 176.89999:5930 177.89999:2296 179:37316 179.89999:14209 181:2836 181.89999:241 183.89999:9893 184.89999:1368 185.89999:882 186.89999:3 187.8:105 188.89999:363 189.89999:119 190.89999:5199 191.89999:1018 192.8:1761 193.89999:726 194.89999:236 195.8:158 196.89999:2584 197.89999:913 198.7:95 199.89999:48 202.8:298 203.8:111 204.89999:1343 205.89999:929 206.89999:759 207.8:494 208.89999:848 209.7:407 210.8:1188 211.8:53 212.7:95 215.89999:22 218.89999:343 219.89999:289 220.89999:495 221.8:333 222.89999:475 223.89999:329 224.8:1777 225.8:1003 226.89999:989 227.7:1 228.60001:203 229.7:159 230.8:395 231.89999:228 232.89999:97 233.7:85 234.89999:483 234.89999:483 235.89999:450 236.89999:1551 237.89999:1064 238.89999:295 239.7:213 240.7:1 242.89999:23 244.5:0 245.8:749 247:380 248.7:221 249.89999:69 250.89999:1019 252:17837 252.89999:6540 253.89999:2653 254.89999:921 256:223 256.89999:464 258.89999:1752 259.89999:520 260.79999:315 261.79999:70 263.10001:30 263.70001:106 264.89999:638 265.89999:1231 266.89999:2101 267.89999:493 268.70001:194 269.79999:47 270.89999:223 272.79999:186 273.79999:269 274.79999:813 275.79999:226 276.89999:21 277.79999:101 278.89999:2868 279.89999:527 280.89999:15715 282:3684 282.89999:1917 283.79999:344 284.70001:125 285.79999:246 287:166 287.89999:186 288.79999:103 292.70001:42 293.70001:215 295:1465 295.89999:16263 297:4684 298:1840 298.79999:299 299.79999:203 303.79999:54 308:20 311.70001:8 312.70001:121 313.60001:5 315:51 320.79999:1 322.70001:138 324.60001:4 326.70001:11 329.89999:132 331:288 331:288 332.79999:7 333.79999:181 334.79999:354 335.89999:460 337:70 344.89999:175 345.70001:48 346.89999:985 347.70001:320 348.79999:424 349.79999:132 350.5:138 350.5:189 355.70001:283 361.89999:256 362.89999:142 363.89999:827 364.89999:230 365.89999:306 366.89999:335 368.10001:458 368.70001:126 375.89999:91 384:167 384.79999:92 385.79999:88 389.60001:50 401.60001:127 403.89999:774 404.70001:475 405.79999:327 409.89999:19 436.89999:519 472.39999:53 473.89999:840 474.70001:109 494.89999:992 495.89999:416 496.79999:240 547.70001:23 549.90002:17 144055.9 122194.1 114315.1 165355.9 132764 123018.7 137351.3 158408.3 180016.1 246531.9 226626.2 150347.3 229829.1 168459.8 122324.1 115034.3 168558.0323 166506.9532 34046.73204 62080.33483 908 13.106 485381.97 230 4-hydroxyproline 0.444 8.124 487465 PMMYEEVYMWASQN-DMTCNVIQSA-N 440 FALSE FALSE FALSE FALSE 85.2 0 91.8 80.8 86.5 69.3 86.8 18.21 38057_C-B22 51:1 52:0 52.9:0 53.9:1 55:1 56:9574 57:1 58:0 59:0 60:1 60.9:0 61.8:1 61.8:1 62.9:0 64.9:0 66:0 66.9:1 68:1 69:0 69.9:0 71:1 72:1 73:0 74:1 74.9:1 75.9:1 77:1 77.9:0 79:1005 79.9:0 81:1 82:0 83:1 84:0 85:0 86:1 86.9:1 88.9:1 89.9:348 90.8:15 92.9:303 93.9:0 94.9:1 95.9:0 96.9:0 97.9:1 98.9:0 99.9:1 100.9:1 101.9:0 102.9:0 103.9:1 105:0 105.8:0 106.8:166 107.5:1 108.9:0 110:0 110.9:0 111.9:1 113:1 113.9:1 114.9:0 115.9:0 116.9:3027 117.9:60 118.9:1 119.9:1 121.4:0 122.8:17 124:831 124.9:1 126:0 126.9:1 128:1 128.89999:0 130:0 131.89999:1 132.89999:0 133.89999:1 135:1 135.7:1 136.8:205 137.89999:150 138.89999:0 139.89999:23603 141:0 141.89999:1 142.89999:0 143.89999:0 144.8:1 148:0 149.89999:1 150.7:0 151.8:0 152.89999:1 154:1 155:2134 155.89999:1 156.89999:1 157.89999:0 158.89999:1 160:0 161:0 161.7:1 164.8:52 165.89999:147 166.8:1 168.89999:0 170:1 170.8:0 171.89999:600 172.8:1 173.89999:1 174.8:1 180.89999:0 181.8:316 182.89999:0 183.7:1 184.89999:1 185.7:0 186.89999:406 187.89999:416 188.89999:419 189.89999:0 191.89999:1 192.7:0 193.8:107 194.89999:0 196:0 196.89999:0 197.8:208 198.8:0 200.8:35 202.89999:1 206.8:60 208.89999:47 210:148 210.89999:22 211.89999:0 212.89999:1 213.89999:0 214.89999:1 215.89999:1 223.8:74 224.89999:151 225.7:1 226.8:188 227.8:1 230:73963 231:19833 232:4785 233.8:501 237.7:1 238.7:37 239.89999:395 240.8:79 241.7:216 243.89999:1 244.8:1 255:151 255.89999:520 257.89999:1 258.89999:0 259.89999:1 260.89999:1275 261.70001:211 262.89999:81 271.89999:1 272.79999:0 273.60001:1 285.89999:353 297.79999:71 298.89999:62 299.5:66 300.5:75 303.89999:511 304.89999:167 305.79999:89 317.70001:42 318.70001:9 328.60001:21 331.89999:2583 332.89999:127 334:157 334:154 334.79999:55 340.70001:79 346.79999:44 356.60001:86 375.70001:8 2369 254506 114892.3 164911.6 133093.1 156603.3 163256.3 124983.8 201810.6 1213.667 1505 235966.9 166524.9 123533.1 166014.3 99587.34 162621.8531 169640.0026 84124.22211 88161.05123 1016 14.394 537689.88 174 5-aminovaleric acid 0.806 8.944 536657 JJMDCOVWQOJGCB-UHFFFAOYSA-N 340 FALSE FALSE FALSE FALSE 87.5 0 96.5 81.4 76.2 86.6 86.7 58.96 42907_T-D145 52.9:1154 54:1981 55:12903 58:366 59:20833 60:581 61:5390 63.7:228 69:105 70:4209 71:3127 73:420 75:55300 76:4252 76.9:885 78:969 79:499 80:1186 80.9:637 82:40564 83:5370 84.9:4244 86:24289 87:1541 88:2561 93.7:66 95:550 96.9:812 98:942 99:3635 100:8857 101.9:1174 106.7:243 107.9:193 109.9:395 110.9:589 112:2961 113:3077 114:2764 114.8:103 115.9:1698 116.9:6874 117.9:144 118.9:362 121.9:61 122.9:205 123.8:198 124.9:245 125.8:1196 126.9:469 127.9:2035 129:16956 129.89999:11647 130.89999:5795 135.89999:254 136.60001:43 137.10001:37 137.8:156 138.89999:267 141.89999:178 143:257 143.89999:1717 144.89999:2053 145.89999:2900 146.89999:17002 147.89999:368 151.39999:465 151.39999:3776 154:5928 154.89999:1556 156:2551 157:1812 157.89999:4853 160.89999:342 165.7:222 166.7:155 167.8:284 168.89999:215 169.89999:3276 170.89999:495 172:3636 174:272668 175:48495 176:22320 176.89999:2617 177.8:551 178.89999:262 180.89999:251 181.89999:185 183:162 183.8:672 185.89999:3717 186.89999:1047 192:1220 194.89999:266 195.8:197 197.7:111 199.10001:40 200:12457 201:2875 201.89999:1916 203:806 206.89999:1841 207.7:160 208.8:147 212:146 218:10 220.89999:10686 221.8:3443 222.89999:1659 223.89999:310 224.89999:414 227.89999:2975 229:1085 229.8:1049 231:489 233.7:120 234.8:125 236.8:137 241.89999:2 244:4658 245:1753 245.8:958 250.60001:442 251.8:1 252.60001:164 253.8:126 254.7:108 255.89999:26 256.79999:1 258:601 258.79999:136 259.89999:2273 262:399 263:177 263.79999:130 264.89999:518 267:621 267.70001:89 268.70001:283 270.89999:962 271.89999:378 272.89999:25 278.79999:463 280.89999:3289 281.79999:1238 282.79999:665 283.60001:171 285.79999:119 286.70001:46 287.89999:5 289.79999:102 291.79999:54 292.89999:52 293.89999:706 294.89999:1164 295.70001:1 296.70001:232 299.70001:149 312.5:220 314.60001:171 314.60001:157 315.79999:1 317.89999:11488 318.89999:3423 319.89999:1199 321:389 322.60001:258 323.70001:54 324.89999:661 325.70001:294 326.79999:3100 327.70001:999 328.70001:371 329.89999:92 331.70001:117 332.89999:372 334:494 340.79999:1477 341.89999:790 342.70001:676 345.79999:106 355.79999:327 356.89999:651 357.79999:166 358.89999:232 368.89999:269 369.79999:72 382.79999:356 383.5:255 384.39999:92 398.70001:1302 399.60001:180 400.79999:332 401.79999:38 414.89999:1555 415.70001:765 416.79999:335 428.70001:991 429.89999:196 430.70001:316 502.39999:124 502.89999:107 590.90002:2653 591.90002:1360 593:870 593.79999:566 594.79999:198 185.7778 41399.45 34976.67 54325.22 111.2222 95244.45 300478.6 195047.2 273213.4 23996 61839.78 32540.89 65052 26783.67 48822.78 40835.89 31448.68979 47785.21552 52522.23296 71940.12423 1521 20.414 777709.94 289.9 5-hydroxy-3-indoleacetic acid 0.25 12.96 777606 DUUGKQCEGZLZNO-UHFFFAOYSA-N 340 FALSE FALSE FALSE FALSE 83.1 null 100 71.9 76 82 39.3 135.65 43469_T-A13 51:563 51.9:544 54:2489 67:8579 78:455 79:5260 80:2791 81:7079 82:3303 90.9:1544 92.9:2341 94:1295 95:3541 104:707 107:666 108:1018 109:1945 120.9:1622 121.9:638 123:839 127.9:1643 134.89999:1686 136:904 141.89999:0 149.89999:2404 155.89999:1 158:0 163.89999:0 191.89999:0 197.89999:1 211.89999:0 225.8:1 238.8:0 239.7:0 251.60001:0 255.8:252 256.89999:449 259.89999:1102 260.89999:5 262:978 262.89999:330 266.79999:0 267.89999:0 274.79999:530 277.79999:91 281.79999:1 282.79999:1 284:1 287.89999:1755 289.89999:52160 290.89999:12035 292:4451 299.70001:118 306.79999:187 314.10001:1035 315:60 317.79999:275 329.79999:106 333.89999:164 337:4170 337.89999:2613 344.5:174 352.20001:433 352.89999:872 358.60001:196 363.89999:912 364.89999:274 365.5:287 368:103 377:275 377.79999:522 389.79999:233 391.89999:2217 392.79999:1119 393.60001:231 402:230 404:480 406.89999:13621 407.89999:4545 408.89999:2450 409.89999:752 431.89999:246 436.89999:1598 437.89999:230 438.89999:74 443.89999:196 2876.667 1626.444 991 3366.667 7507.778 4065.889 3436 6212.444 7853.333 4893.333 2628 2386.111 2990.333 2880.333 1050.667 1012.667 21640.23977 24408.15041 19139.12078 25058.27999 1639 22.516 862645.75 174 5-methoxytryptamine 1 14.408 864466 JTEJPPKMYBDEMY-UHFFFAOYSA-N 340 FALSE FALSE FALSE FALSE 87.5 null 93.5 83.4 79 85.2 93.3 1363.49 42811_T-D145 51.9:223 53:244 56:0 57:1 58:1255 59:23146 60:1191 60.9:1154 61.9:163 62.9:172 63.9:58 64.7:77 65.8:97 67:208 67.9:1 70:1432 71:0 72:2909 73:284153 74:24320 75:11562 76:606 76.9:577 77.9:231 79.9:267 80.9:157 82:165 83:1 84:0 85:1 86:42321 86.9:4093 87.9:1361 88.9:347 89.7:201 89.7:201 90.9:0 91.8:194 92.9:254 93.8:71 94.9:152 96:286 97.8:100 99:1 100:18034 101:2711 101.9:2484 102.9:698 103.8:106 104.9:66 105.8:25 107:146 107.9:52 109.1:66 109.8:1 110.9:1 111.9:1 113:0 113.9:576 114.9:1715 115.9:2849 116.9:4126 118:659 118.8:572 119.8:297 120.9:156 121.8:54 122.9:101 123.9:774 124.8:0 125.9:1 127:484 127.9:1127 128.89999:1168 129.89999:9828 130.89999:5765 131.89999:1369 132.89999:1009 133.89999:410 134.89999:366 136.89999:194 138:41 138.8:1 139.89999:125 141.89999:299 142.89999:827 143.89999:3237 144.89999:1385 145.89999:2957 146.89999:1328 147.89999:494 148.8:214 151:50 151.89999:86 153:1308 154:1 155:27 155.89999:132 156.89999:466 157.89999:4228 158.89999:1231 159.89999:1246 160.8:773 161.8:69 162.8:186 165:35 165.8:96 166.7:29 167.89999:1 168.89999:203 169.89999:843 170.89999:142 171.89999:4785 174:513933 175:95035 176:41006 177:5511 177.89999:588 178.7:49 180.8:136 181.7:191 183.8:197 184.89999:569 186:3572 186.89999:619 187.89999:799 188.89999:488 189.89999:460 190.8:44 191.8:100 192.89999:46 193.89999:63 194.89999:209 195.7:94 196.89999:29 198:267 198.89999:479 199.89999:1831 200.89999:1156 201.89999:8614 202.89999:1216 203.89999:712 204.89999:417 205.7:144 206.89999:506 207.7:0 208.8:118 209.89999:131 210.89999:291 211.8:150 213:230 214:507 214.8:848 216:1927 216.89999:1654 217.89999:2253 218.89999:725 219.89999:274 220.89999:0 221.8:221 222.89999:203 224.3:639 225:501 226:330 226:552 226.8:224 227.8:186 229.89999:1567 230.89999:738 231.8:957 232.8:2103 233.89999:825 234.89999:300 235.89999:220 238.39999:62 239.89999:355 241:191 241.8:80 242.8:193 243.89999:874 244.8:336 245.8:702 246.8:426 247.8:133 248.89999:99 250.7:95 252.7:47 253.60001:211 255:293 255.89999:366 256.79999:326 257.79999:1226 258.89999:96 259.89999:7430 260.79999:1577 261.89999:1194 262.79999:357 263.79999:183 264.60001:97 265.20001:111 265.79999:132 266.89999:151 270:340 270.89999:318 272:468 272.89999:571 273.89999:2024 275:1017 276:859 276.89999:531 277.79999:222 278.60001:73 281.70001:89 282.60001:54 284.89999:259 285.89999:454 286.89999:1300 287.89999:3995 290:28747 290.89999:8490 291.89999:1983 293:546 293.89999:375 294.89999:159 295.79999:179 296.70001:162 300.60001:118 301.89999:2680 302.89999:2002 303.89999:1619 304.89999:697 305.70001:75 311.89999:79 313.79999:114 315:141 317.89999:150 320:292 320.79999:172 324.60001:26 327.79999:127 329.60001:187 330.70001:273 330.70001:273 331.79999:198 332.60001:246 332.60001:300 333.89999:547 334.89999:303 341:189 343:165 343.79999:90 344.79999:241 347:325 348:146 354.79999:88 357.20001:81 359.89999:325 360.89999:4196 361.89999:1411 362.70001:599 363.89999:345 367.79999:70 368.70001:70 373.79999:97 374.89999:1233 375.89999:472 376.79999:75 377.79999:77 391.70001:109 393.89999:128 414.5:150 432.70001:106 448.89999:7086 449.89999:4050 451:1624 451.89999:597 452.89999:131 462.70001:67 464:4905 464.89999:1646 466:1012 467.20001:274 527502.9 216496.3 17315.55 360439.8 689832.3 419457.9 307751.2 514158.9 885381.8 640492 299685.2 486470.3 532947.8 523605.9 73803.89 10990.78 1078336.089 1092182.85 726597.7284 965715.2098 1103 15.886 596759.25 116.9588 6-deoxyglucitol 0.597 9.935 596111 SKCKOFZKJLZSFA-JGWLITMVSA-N 340 FALSE FALSE FALSE FALSE 90.9 0 97.3 86.6 90.9 82.3 82.5 18.93 43664_C-A13 51:1 58:1 59:0 61:0 62:23 64.9:27 72:0 73:1 74:0 75:0 76.9:1 78:343 87:1 87.9:1 88.9:1 90.9:256 94:308 99:284 101.9:0 102.9:13620 104:1217 104.9:0 106:1 113:0 113.9:0 114.9:466 115.9:2469 116.9:23996 117.9:2682 118.9:1314 119.9:1 120.9:141 127:889 127.9:31 128.89999:1 131.89999:0 133:3481 133.8:0 134.89999:1 135.89999:0 136.89999:1 142.89999:1398 144.89999:0 146.89999:26410 147.89999:3941 149:2353 150.89999:0 154.89999:405 156.8:865 160.89999:1072 162.8:72 163.8:187 164.8:125 167:281 167.89999:4 168.89999:482 176.89999:364 183.8:245 184.89999:93 188.89999:611 189.89999:342 190.89999:1796 192.7:0 193.89999:119 195.10001:14 197:401 200.8:166 201.60001:135 202.89999:331 203.89999:201 204.89999:7489 205.8:1470 206.8:1 209:79 209.8:0 210.8:1 211.7:1 212.7:1 214.8:1 215.89999:487 216.89999:3548 217.89999:1979 218.89999:4994 219.89999:1191 220.89999:1272 221.8:361 223:229 223.89999:318 225.8:1 226.89999:67 227.8:47 228.89999:694 229.8:105 230.89999:1191 231.8:464 232.89999:51 236.8:73 240.7:25 241.60001:0 244.89999:129 245.89999:66 247.89999:52 249.8:2 252:85 253.89999:208 254.89999:428 255.7:57 256.79999:888 257.79999:161 258.89999:547 259.79999:218 260.79999:13 262:90 262.79999:61 264.79999:90 266.20001:201 266.89999:9 267.89999:64 268.79999:246 269.79999:90 271.89999:97 273.89999:64 276.89999:1197 277.79999:12 278.79999:287 280.79999:95 282.60001:61 283.89999:174 284.60001:26 285.79999:1 287:35 290.79999:1082 294.89999:522 295.79999:362 296.79999:203 297.79999:220 298.79999:0 299.79999:1 300.70001:0 301.70001:32 302.70001:111 304:279 304.79999:811 305.79999:60 307:547 307.89999:293 308.79999:251 313:0 313.79999:222 314.89999:0 315.79999:1 318.89999:6924 319.89999:1882 320.89999:1280 321.79999:482 322.70001:96 330.70001:393 332.79999:129 334:45 334.89999:16 335.60001:40 340.70001:21 344.79999:0 345.79999:210 346.79999:336 347.89999:542 349.89999:222 354.89999:86 356.79999:1 357.79999:1 358.60001:1 378.89999:144 393.60001:135 420.89999:41 421.70001:216 422.79999:108 444.70001:33 449.70001:93 450.89999:34 510.60001:190 6258.556 4735.111 4149.222 5399.333 5206.667 5462.556 5093.778 5718.667 4936.222 6877.667 6359.667 6191 6329.222 5738.667 5025.222 5370.111 24207.03532 20644.70265 19899.87221 19508.6886 1090 15.71 589798.25 146.9151 aconitic acid 1 9.872 592349 440 FALSE FALSE FALSE FALSE 83.7 0 80.6 85.8 82.2 93.6 81.1 7.53 38057_C-A13 51:307 53:1119 59:4222 61:3289 62.9:397 66:1910 67:18014 72:3684 73:120473 74:2133 75:3828 78:102 80.9:687 88.9:73 92.9:775 94.9:1004 96:1186 96.9:6044 104.8:308 118.9:618 122.9:474 130.89999:3672 132.89999:12642 133.89999:1471 134.89999:1410 138.89999:438 140.89999:1214 146.89999:105177 147.89999:15910 148.89999:17020 149.89999:2183 150.7:778 154.89999:795 156.89999:1159 157.89999:431 161.8:228 162.8:223 166.89999:985 168.89999:730 170.89999:367 172.8:116 176.89999:693 177.7:48 179.8:156 180.7:38 181.8:369 182.89999:1103 183.89999:5092 184.89999:1297 188.8:29 190:327 191:5050 191.89999:762 193.89999:74 194.8:723 195.8:174 196.8:31 199:17 200.89999:141 204.89999:839 205.8:80 206.8:1418 207.8:96 208.89999:300 210.89999:16600 211.89999:2179 212.8:2066 214.89999:10881 215.89999:304 216.89999:1018 220.8:1271 221.8:303 222.89999:172 224.7:49 226.7:267 227.89999:1190 228.89999:43404 229.89999:9625 230.89999:2928 238.8:212 239.89999:91 242.8:302 243.89999:253 244.8:951 245.8:31 248.7:9 250.60001:11 251.89999:38 254.89999:281 255.8:537 256.79999:3092 258.79999:159 259.79999:200 264.89999:585 265.89999:53 266.70001:264 268:257 269.79999:301 270.89999:205 271.89999:3073 272.89999:1545 273.79999:546 280.70001:4 281.79999:0 282.70001:607 283.89999:162 284.89999:13486 285.89999:3213 286.79999:3586 287.70001:557 288.79999:344 289.79999:178 294.79999:160 295.79999:79 296.79999:154 297.79999:108 298.70001:137 299.79999:3201 300.89999:1025 301.89999:493 302.89999:819 303.89999:307 305:157 314.79999:78 315.70001:69 324.70001:37 328.70001:13 329.70001:76 330.79999:325 331.79999:108 333.20001:138 340.79999:66 341.89999:137 342.70001:46 346:3419 346.89999:1198 347.70001:630 348.79999:268 354.89999:28 355.89999:72 356.70001:451 357.70001:135 358.79999:166 368.79999:315 374.89999:21457 375.89999:6987 376.79999:3410 377.79999:629 379:93 389.89999:133 420.79999:51 450.79999:58 451.70001:32 28857.33 17777.67 18221.89 32521.55 27248.89 13457.22 22872.11 28411.11 19471.33 26094.89 22716.67 22992.45 24585.22 21250.22 25139.55 17067 41911.02901 39515.53909 24496.23432 26295.29263 739 11.038 398688.66 187.9941 alanine 0.889 6.669 400164 QNAYBMKLOCPYGJ-REOHCLBHSA-N 340 FALSE FALSE FALSE FALSE 90 0 98 84.6 78.6 87.7 96.6 38.26 42786_T-A13 52:47 53.9:0 56:2319 59:10373 60:578 60.9:1154 61.8:112 62.9:1 64.9:85 66:3 67.9:207 70:460 71:1 72:1870 73:28848 74:1577 75:8257 76.9:807 77.9:535 80:152 85:1285 86:494 87.9:50 88.9:133 90:164 91.9:15 93.9:158 94.9:151 97.9:29 99:674 99.9:24048 100.9:2238 101.9:1107 102.9:0 103.8:42 105:123 105.9:61 107.9:114 110:268 112:752 112.9:840 113.9:7677 115:780 115.9:2169 118.9:638 120.7:1 122.7:170 123.9:112 128.89999:2004 129.89999:2861 130.89999:907 131.89999:809 132.89999:5582 133.89999:1079 135:340 136:110 136.8:13 139.89999:514 140.8:10 141.89999:136 146.89999:10177 147.89999:1520 148.89999:729 149.89999:47 151.8:110 152.7:0 154.8:0 157.89999:2908 158.89999:842 162.7:74 166:89 168:359 169:651 170.89999:167 171.89999:1574 173:256 173.89999:1108 174.8:448 175.7:51 176.7:0 178.89999:57 180.8:131 182.8:0 183.5:281 184.10001:301 184.8:257 188:95991 189:18305 190:7521 190.89999:1540 191.89999:405 192.89999:158 193.89999:22 197:940 197.8:272 198.89999:52 199.89999:601 200.89999:63 201.89999:1474 202.7:783 203.89999:1 204.8:1 205.89999:0 206.89999:0 208.7:171 212:213 212.7:75 214.89999:4947 215.89999:130 216.8:15 217.89999:1 218.89999:1 219.89999:1 221:1 221.89999:1 224.8:5 227.8:0 229.89999:79 231.8:1 234:46 235.8:127 237:57 244.8:76 245.8:540 246.89999:138 254.8:484 262:12919 263:3510 263.89999:1553 264.89999:528 268.89999:229 270.79999:631 271.89999:33 277.79999:0 281.79999:3 282.70001:76 287.70001:140 289.89999:2586 290.89999:890 291.79999:645 292.79999:13 304.89999:54 326.60001:13 354.70001:52 372.79999:125 414.60001:10 8037.778 19352.11 4154.444 3872 2904.444 4204.778 4103.778 3333 8280.777 5136.222 8945.444 8932.333 8977.111 4944.889 9585 4745.222 13899.08467 16776.00962 20085.51177 21740.18238 1188 16.888 636540.75 174 alanine-alanine 1 10.615 636898 DEFJQIDDEAULHB-IMJSIDKUSA-N 340 FALSE FALSE FALSE FALSE 83.6 0 99.9 72.7 78.6 61.2 78 1292.61 43081_T-D145 51:1760 56:12516 59:47942 59.9:2803 64:9 73:1474 74:29817 77:7139 77.9:294 79.9:502 82:14622 84:76430 85:1852 86:49430 87:4784 88:17254 89.9:790 90.9:279 91.9:226 94:2841 100:32953 100.9:2132 101.9:14049 102.9:6725 103.9:2113 105:9517 105.9:857 109.9:878 112:5277 113:3132 114:17454 115:6818 119.8:463 124:383 125:953 126:2605 126.9:141 128:22067 129.89999:13965 137.8:148 139.89999:1365 141:584 142:11409 143.89999:7994 146:9657 146.89999:31894 147.89999:9451 148.89999:3699 150:955 153.89999:1577 154.89999:976 156:87665 157:9836 157.89999:8563 159.89999:4098 160.89999:1291 162:1705 162.89999:332 165.89999:1281 167:291 167.89999:10676 168.89999:2303 169.89999:2540 171.89999:9908 174:599737 175:102044 176:46160 176.89999:5877 177.89999:1153 178.8:269 179.8:16 181.89999:462 182.89999:1424 183.89999:3957 186:5321 187.89999:1210 188.89999:900 189.89999:1011 190.89999:673 191.8:428 192.8:314 193.7:70 199.89999:93289 201.89999:3236 202.89999:1155 203.89999:1097 204.89999:116 205.89999:6889 206.89999:1601 208:642 208.8:1 211.8:95 214:603 216:4338 216.89999:1070 217.89999:589 218.89999:293 219.7:510 220.8:417 221.8:264 223.8:57 225.89999:108 227.89999:362 230:12855 230.89999:2781 231.89999:2033 232.8:299 235.10001:49 235.89999:1634 236.8:133 237.89999:168 238.8:57 239.8:436 245:1817 245.89999:961 247.89999:322 252.7:221 257.89999:21376 258.89999:5082 259.89999:2273 260.89999:391 261.70001:4 264.89999:166 265.89999:178 267.79999:2 272:592 272.89999:372 274:120 280.60001:253 281.70001:190 287.10001:531 288.89999:5441 289.89999:1336 290.89999:576 294.79999:134 297.89999:88 311.79999:2 313.79999:116 314.60001:114 316.79999:228 317.89999:118 319:91 321.5:68 330:214 330.89999:229 334.89999:7 344.89999:152 346:151 347:3217 347.89999:923 348.89999:496 355.70001:41 362:12945 362.89999:3933 364:2006 365:521 368.79999:61 371.89999:59 940182.9 1330015 1072333 913496 670077 1077727 1136278 1435112 1098249 1060872 1627272 1171210 1404063 937376.6 917810.3 357478 915525.6801 943155.5292 340481.8155 461565.062 1423 19.141 726679.44 258.9 allantoic acid 0.972 12.101 726050 340 FALSE FALSE FALSE FALSE 82.9 0 93.1 76.1 77.9 75.4 72.1 18.46 42786_T-A22 51:49 52:419 53.9:89 58:1966 59:1601 59.9:426 60.9:682 61.9:64 63.7:93 64.9:42 65.9:47 68:870 69:682 70:1378 71:587 72:3900 74:5170 75:6083 75.9:860 76.9:1 78:0 78.9:557 83:155 84:968 85.9:1090 86.9:420 89:579 90:187 92.8:1 94:332 95.9:1 98:684 99:2051 99.9:12823 100.9:5080 101.9:1579 103.9:0 106.9:72 107.7:81 109.9:29 111.9:90 113.9:616 115:1545 116:4253 116.9:1692 117.8:554 119.7:1 120.9:123 121.9:499 125.9:446 126.8:549 128:442 129.89999:1348 132:1088 138.89999:49 139.89999:336 140.89999:199 144.89999:410 151.7:22 153.8:323 154.8:262 155.89999:1 156.89999:561 157.89999:1330 158.89999:776 163.8:118 165.3:292 165.3:138 167.8:201 168.89999:476 169.89999:210 170.89999:1403 171.89999:891 173.89999:2352 174.89999:647 175.8:260 178.8:303 179.89999:135 180.89999:131 181.7:158 182.89999:189 183.89999:300 185:323 185.89999:615 186.8:457 188.10001:1875 188.89999:13310 189.89999:1621 195.8:259 197.8:203 199.89999:294 200.8:1047 201.89999:313 202.8:34 209.89999:336 211.8:265 212.89999:1 213.89999:0 215.8:604 220.89999:1 221.89999:0 222.7:304 222.7:304 225.7:119 227.7:448 228.8:203 229.89999:135 239.10001:225 240.89999:80 241.89999:1294 242.89999:3106 243.89999:2139 244.89999:479 245.8:156 246.8:218 251:134 251.7:135 253.89999:147 254.8:16 255.60001:33 256.79999:6 257.89999:817 258.89999:25855 260:5693 260.89999:2172 261.89999:408 263:123 263.70001:213 268.79999:214 270:186 270.70001:182 272.89999:642 274.79999:541 279.89999:163 280.79999:210 281.79999:102 283.60001:185 284.79999:406 285.89999:380 287.70001:59 289:304 289.89999:53 294.79999:175 295.79999:132 296.60001:327 297.79999:183 299.70001:74 300.89999:238 301.79999:27 310.70001:119 312.89999:713 313.79999:417 314.70001:121 315.79999:196 316.79999:133 322.89999:172 325.79999:67 326.39999:163 327.10001:138 327.10001:187 328.79999:107 329.89999:139 330.89999:219 331.79999:125 334.70001:113 337.29999:23 340.79999:19 355:117 356.79999:446 357.79999:155 358.89999:4266 359.89999:871 360.79999:641 361.70001:240 372:90 372.70001:82 373.89999:3392 374.79999:585 375.79999:615 376.79999:252 384.79999:398 386:884 386.70001:135 387.79999:11 389.79999:90 399.79999:187 400.89999:444 402:286 416:182 416.89999:85 421.70001:4 428:228 428.89999:99 33366.45 25803.11 32119.67 76234.89 24540.78 47881.55 17051.55 468.7778 12955.22 111746 35158.33 27930.11 47966.55 14767.11 47826.11 40377.55 39809.52034 36757.30018 39022.72525 32943.18978 755 11.324 411316 73 allothreonine 0.944 6.885 413115 340 FALSE FALSE FALSE FALSE 83.9 0 98.5 74.2 63.8 86 81.6 20.04 38182_C-A13 51:620 52:305 53:68 53.9:469 55:0 56:7632 58:3048 59:4734 60:1339 61:1960 63.8:257 65.1:135 65.9:1257 67:220 70:0 71:0 72:3070 73:31773 74:2646 75:5050 75.9:611 76.9:1165 77.9:731 79:507 80:161 81:88 85.9:1978 87.9:409 88.8:172 92.9:421 95.8:258 97.9:1063 98.9:219 99.9:2968 101:7275 102:1817 102.9:2461 103.7:402 104.8:590 105.9:121 107:317 107.7:389 108.8:346 109.9:1050 112.9:441 114:589 114.9:2072 115.9:1423 116.9:29470 118:1361 118.9:1884 119.9:316 127.9:4701 128.89999:4625 129.89999:2205 130.89999:3595 131.89999:24 132.89999:2364 134.8:326 135.89999:446 137.8:185 138.8:109 139.89999:2470 140.89999:416 141.8:432 142.89999:530 143.89999:741 145.89999:847 147:19124 147.89999:3193 150.8:695 151.8:70 153:200 153.89999:247 154.89999:422 155.89999:3424 158:892 160.8:514 162.8:174 163.8:186 164.8:112 167:259 167.89999:322 171.7:538 173.8:1456 175:673 175:673 175.89999:549 176.89999:210 180:242 180.8:214 182.10001:155 193.7:105 194.7:145 196.7:110 202.89999:1684 203.89999:295 206.7:118 207.8:192 213:169 213.8:506 214.89999:334 218:18270 218.89999:18159 219.89999:3657 220.89999:741 221.89999:358 223.8:230 225.8:249 227.8:1679 229.89999:3189 230.89999:1562 239.8:1937 240.89999:129 241.89999:420 243.7:170 244.89999:5081 245.8:1384 247:693 247.89999:509 249.7:141 250.7:87 254.89999:466 255.7:190 256.70001:99 266.89999:300 275.79999:65 280.89999:283 290.89999:6377 291.89999:5261 292.89999:462 293.79999:61 294.79999:12 298.70001:123 299.79999:136 300.89999:163 301.79999:68 320:1172 322:330 373.70001:187 374.89999:117 387.60001:376 122006 154714.6 91462.34 108310.4 101504.6 124192 117095.2 151138 133313.1 167819.9 116365.9 121853.7 117767.8 108902.6 110865 61575.11 212900.4354 269014.0519 115167.0874 219261.0243 1068 15.34 575186.5 259.9667 alpha-aminoadipic acid 0.903 9.555 573295 340 FALSE FALSE FALSE FALSE 76.6 0 82.3 72.8 63.8 83.2 78.8 29.47 42786_T-D145 51:90 52:470 52.9:107 53.9:327 55:6909 56:1365 57:6506 58:896 59:1195 60.9:433 63.7:143 67:367 68:490 69:1745 70:2923 71:6673 72:788 73:24373 74:2493 75:4387 76.9:703 78:106 79.9:44 80.9:296 82.9:736 84:363 85:4125 86:490 86.9:237 90:85 91:327 92.9:74 93.8:186 97.9:448 99.1:1556 100:2692 100.9:225 101.9:106 102.9:0 105.1:958 105.8:29 107.9:102 108.9:24 109.8:223 111:528 112.1:676 113:1282 113.9:747 115:2239 116:724 117:2370 118.9:55 120.6:128 121.8:236 126:334 127:753 128:5795 129:3465 129.89999:103 131:528 131.89999:201 132.89999:1030 133.89999:176 137.8:71 140.89999:407 143.89999:47 145.8:24 147:4680 147.89999:923 148.8:358 149.8:211 151.8:30 153:54 153.89999:624 155:474 158.8:166 160:5 161.89999:154 162.8:270 166.89999:128 168.89999:151 169.89999:781 170.89999:160 171.8:110 173.8:237 174.60001:225 176.89999:131 178:156 179:48 182.10001:99 187.89999:236 188.8:0 190.10001:282 190.89999:235 192.89999:0 193.8:129 194.7:1 197:99 198:152 198.8:122 201.8:82 202.8:602 204.89999:1 205.8:0 206.8:1 210.8:242 213.8:1 216.89999:3842 217.89999:1630 219:884 219.8:327 226.8:75 227.89999:377 229.89999:87 230.7:275 231.8:55 238.89999:161 241.8:53 242.89999:242 243.89999:972 245:163 245.7:164 250.8:292 252.8:88 255.8:161 258.70001:153 260:15576 261:3343 262:1223 262.89999:416 264.89999:34 265.79999:40 266.89999:127 271.79999:1045 272.70001:94 273.79999:329 277.10001:483 278:213 278.89999:31 280.10001:35 280.89999:140 281.79999:232 283.10001:162 283.89999:164 284.89999:140 285.89999:86 287.70001:283 288.89999:96 290:84 302.70001:90 306.79999:0 308.89999:2459 309.79999:486 312.79999:229 318.60001:0 320.89999:152 333.70001:245 344:13 352.60001:13 362:786 363:398 363.89999:250 376.79999:362 377.79999:122 406.89999:13 450.79999:92 8845.889 12637.56 9160.667 5831.778 5964.222 7016.667 8803.556 21809.78 8725.889 9381.333 10827 7488.889 10724.33 10890 7579.556 4577.889 7543.678285 7963.575152 5131.481855 5259.16437 839 12.411 456729.12 73.004 aminomalonate 0.694 7.596 455754 JINBYESILADKFW-UHFFFAOYSA-N 340 FALSE FALSE FALSE FALSE 89.8 0 98.7 83.9 74.2 91.6 97.8 19.52 42945_T-D145 51:565 52:3773 53:4653 54:2355 55:26270 56:70966 57:55151 58:53721 59:251834 60:23878 61:26456 62:1476 63:444 63.7:178 65.1:278 66:12199 67:1607 68:2755 69:234 70:16536 71:37571 72:121548 73:2798598 74:258529 75:278432 76:16703 77:8619 78:753 79:21 80:326 80.9:534 82:978 83:12576 84:7790 85:29602 86:343060 87:40787 88:21179 88.9:6608 89.8:802 90.8:1234 92:252 92.9:307 93.8:213 94.9:514 96:296 97:1120 98:1584 99:11111 100:184356 101:51702 101.9:32413 102.9:45273 103.9:6030 104.9:14898 105.9:2100 106.9:1358 107.7:144 108.9:215 109.9:44 111:1366 112:2594 113:11281 114:5547 114.9:17541 115.9:15870 116.9:95915 117.9:14239 118.9:27659 119.9:3632 120.9:1751 121.8:249 122.9:23 123.7:151 125.1:553 126:1337 127:1549 127.9:1537 128.89999:5882 129.89999:36175 130.89999:186080 132:50231 132.89999:387796 134:57654 135:31183 135.89999:3211 136.89999:747 137.89999:47 138.89999:374 139.8:146 141:456 141.89999:384 142.89999:694 144:8749 144.89999:3778 147:1865851 148:299458 149:158722 150:16050 150.89999:4274 151.89999:1039 152.39999:3220 152.39999:2976 153.89999:323 155.10001:1824 156:736 156.89999:1469 157.89999:23033 158.89999:5147 159.89999:17905 160.89999:7597 161.89999:2914 162.89999:10 163.8:196 164.7:380 165.8:43 166.89999:94 167.8:157 169:73 171:517 171.89999:3331 174:360393 175:68990 176:31421 177:4637 177.8:1163 178.89999:364 180.8:83 182:32 183.10001:119 187.89999:17163 188.89999:7091 189.89999:46824 190.89999:10794 191.89999:4187 192.89999:938 193.89999:188 195.60001:40 196.2:18 196.89999:361 197.7:192 198.7:28 199.8:711 200.8:251 202:8653 202.89999:7858 203.89999:20630 204.89999:7778 205.89999:2554 206.8:2975 207.8:798 208.8:388 210.8:546 212.89999:22 213.7:153 216:5983 218:1367461 219:271979 220:121954 220.89999:39544 221.89999:8882 222.89999:3388 224:805 224.8:397 225.89999:185 229.89999:605 231.89999:46 233.89999:803 236.7:137 237.89999:789 238.7:138 240:24 240.7:1 243.8:717 244.89999:9764 245.89999:7668 248:119835 249:30605 250:15581 250.89999:3004 252:758 252.89999:121 254.89999:645 255.8:147 256.89999:178 258:186 261.89999:640 263:929 263.89999:351 264.70001:409 265.89999:78 266.70001:43 270:81 272.89999:426 273.89999:129 276:33145 277:8807 277.89999:4644 278.89999:1147 280.10001:54 280.89999:1175 281.70001:247 282.79999:165 284.70001:233 289.79999:338 291.89999:158265 292.89999:42521 293.89999:21291 294.89999:4450 296:1006 296.89999:151 298:32 298.79999:382 299.89999:143 300.89999:25 303.70001:543 313.89999:305 319.89999:552412 320.89999:154484 321.89999:78536 322.89999:15465 323.89999:3799 324.89999:686 326.79999:384 327.70001:98 334.79999:1196 336:249 336.79999:333 340.79999:389 383.39999:101 383.39999:211 403.79999:188 414.70001:255 415.79999:161 502.70001:282 1662490 524409.3 7556.556 10723.33 13957.67 9294.889 13365.56 17808.22 12684.22 2202891 242711.8 216432.7 337364.4 1273479 19093.22 18320.67 962858.7638 787448.826 1349017.621 1176814.425 1034 14.7 549698.25 102.9542 arabinose 0.778 9.177 550621 SRBFZHDQGSBBOR-ZRMNMSDTSA-N 340 FALSE FALSE FALSE FALSE 86.5 0 99.9 77.6 63.1 91.1 94 10.77 42113_C-D145 51:11 52.9:155 54:401 55:315 56:483 56.9:0 58:230 59:4435 59.9:42 60.9:349 61.9:97 62.7:113 63.7:103 66:320 67:1 70:787 71:484 72:2286 73:100921 74:9659 75:5953 76:279 77:776 77.9:0 79.9:209 81.9:20 83:203 84:359 85:597 85.9:237 87:630 88:227 88.9:3463 89.9:718 91:273 91.8:298 96:69 96.9:0 98.9:96 100:4028 100.9:1008 102:1140 103:37976 104:3658 104.9:2462 105.9:139 110.8:43 113.9:718 114.8:553 115.9:178 116.9:2994 118:578 118.9:995 119.8:16 120.8:128 122:195 124.4:113 125.9:151 126.8:325 127.9:420 129:2511 129.89999:852 130.89999:1652 131.89999:149 132.89999:5272 134:941 134.89999:1200 135.7:179 136.7:300 137.7:93 139.89999:25 140.89999:55 142:235 142.89999:753 144.8:251 145.89999:213 146.89999:14532 147.89999:2745 148.89999:1580 149.89999:200 150.89999:370 154:94 155.89999:340 156.89999:440 159.89999:3380 161:739 161.8:323 162.89999:549 163.89999:191 164.8:35 167:55 167.8:80 168.89999:102 171:73 171.89999:229 172.8:314 173.89999:490 174.8:692 175.7:103 176.8:312 177.8:146 178.8:239 179.7:107 180.89999:263 181.89999:177 182.7:71 186.89999:248 187.7:50 188.89999:3191 189.8:977 190.89999:1733 191.89999:434 192.8:755 193.89999:247 194.89999:288 195.8:331 196.60001:154 197.7:85 199.7:236 202.89999:225 203.89999:1722 205:2480 206:557 206.89999:822 207.8:227 208.8:236 210:151 210.89999:298 211.8:49 213.60001:145 214.8:188 215.8:571 216.89999:14079 217.89999:2677 218.89999:1365 219.8:201 220.8:483 221.7:157 222.8:50 224.8:102 227.8:104 228.8:69 229.8:8 230.89999:444 231.89999:228 232.89999:985 233.8:564 234.8:259 239.7:263 240.60001:188 241.8:170 243.89999:2258 244.89999:1637 245.89999:527 246.89999:238 248:366 252.7:194 254.60001:52 255.8:542 261.79999:331 262.89999:75 266.70001:22 268.70001:126 269.79999:101 271.79999:155 272.89999:183 272.89999:118 273.79999:392 274.79999:259 276.89999:1815 277.89999:705 278.79999:414 280.79999:7 283.79999:116 284.79999:480 285.79999:120 290.79999:483 296.60001:42 297.60001:12 298.89999:443 299.89999:40 300.79999:240 301.89999:42 304.70001:286 306.89999:8512 307.89999:2999 308.89999:1463 309.70001:335 312.70001:94 313.89999:1 314.79999:8 316.79999:48 317.79999:149 318.89999:288 319.79999:12 329.79999:180 330.70001:298 331.89999:146 332.79999:173 344.70001:30 345.89999:1521 346.89999:460 347.79999:353 360.89999:329 362.79999:495 363.79999:106 364.70001:248 420.79999:65 451.79999:411 452.79999:716 453.70001:446 455.89999:166 466.79999:417 493.89999:111 30496.33 16924.22 9917.444 15488.44 17541.55 18835.89 17349.55 14534.11 16646.89 15638.33 39023.22 20528.89 2637.222 31458.33 19677.33 20623 22752.53802 21619.6767 7205.260218 7305.053648 1058 15.208 569930.44 73 arabitol 0.986 9.511 570685 HEBKCHPVOIAQTA-QWWZWVQMSA-N 340 FALSE FALSE FALSE FALSE 91.9 0 97.8 88 79.5 95.6 98.5 36.52 84766_T-D145 51:170 52:124 53.1:390 54:129 55:609 58:1020 59:3549 60:592 60.9:550 64.9:139 65.8:125 67:280 69:425 69.9:471 72:1892 73:104037 74:9306 75:7763 75.9:327 77:79 77.9:161 79:260 79.9:33 81:408 81.9:1 83:63 84:2249 84.9:561 87:370 87.9:262 88.9:1619 90:421 92.9:54 97:68 97.9:43 98.9:115 99.9:514 101:2407 103:30361 103.9:2832 105:1163 105.9:171 108.8:8 111:345 112:108 113:94 114:206 114.9:298 116:1685 116.9:8399 117.9:852 118.9:887 121.1:122 122.9:54 123.7:67 124.7:30 125.9:34 127:81 129:10796 130:1256 130.89999:2069 132:183 132.89999:7194 133.8:948 134.89999:639 136.8:35 138.89999:120 139.89999:79 140.89999:212 141.89999:287 142.89999:1246 143.89999:451 144.8:351 147:29571 147.89999:4546 148.89999:2969 149.8:343 150.89999:220 152.89999:123 153.89999:207 155:322 156:134 156.89999:1248 158:598 158.89999:605 159.89999:323 161:408 162:256 163:485 164.7:94 168.8:115 170.89999:99 172.10001:117 173:2 174:481 174.89999:653 175.7:90 176.8:572 178.7:19 180.8:12 182.7:14 184.89999:9 188.89999:5184 190:1090 190.89999:4694 191.89999:674 192.89999:315 193.8:133 194.60001:161 195.7:56 196.89999:159 196.89999:241 198.89999:169 199.89999:72 200.89999:367 201.8:78 203:2148 203.89999:11202 205:16900 206:3650 207:2083 207.89999:185 208.89999:127 209.8:53 211.8:16 214:167 214.89999:319 217:39878 217.89999:9336 219:3860 219.89999:710 220.89999:1005 221.89999:240 222.8:298 224:27 226.2:51 226.89999:87 227.8:142 228.89999:482 229.8:425 230.89999:292 231.7:92 232.5:119 233:14 242:129 242.89999:3070 243.8:917 244.7:660 247.10001:54 255.8:82 257.70001:244 258.70001:18 259.89999:245 260.60001:130 264.89999:178 274:91 276.89999:2486 278:1133 278.89999:500 279.70001:162 281.10001:16 281.70001:6 283.89999:107 284.89999:322 289.10001:111 289.79999:161 290.79999:1260 291.79999:465 292.89999:225 299.79999:3 300.79999:57 304.89999:593 305.89999:819 306.89999:10596 308:3089 309:1472 309.79999:399 310.89999:58 313.79999:47 316.89999:1274 317.89999:476 319:8399 320:2224 320.79999:1070 321.70001:290 331.89999:627 332.89999:1053 333.79999:396 334.70001:147 381.70001:221 394.70001:332 421.89999:258 447.79999:208 451.79999:21 156108 147350.8 72256.66 64582.89 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220.8:68 221.89999:61 222.89999:220 223.7:8 224.89999:217 226.8:187 228.8:103 229.89999:29 230.7:105 231.8:210 237.89999:327 241.89999:428 243.10001:314 244:104 244.89999:235 246.7:56 247.8:130 250.8:69 252.8:23 253.7:17 259.10001:47 259.79999:137 264.70001:220 268:221 271:93 273:827 273.89999:268 275.79999:26 279.79999:61 282.60001:52 284.70001:25 286.70001:44 294.70001:1 298.60001:172 316.89999:10463 317.89999:2135 318.79999:1076 320:170 346.70001:66 354.70001:91 355.89999:8 359:220 450.60001:188 7050.889 7526.556 5953.333 5631.889 5267.444 5082.889 8136.111 5893.667 6505.667 5227.222 7461.889 6107 4819.222 4961.778 6075.556 3818.778 4012.043839 4296.901958 3178.525147 2655.495881 1703 23.954 920261.38 75 behenic acid 0.986 15.344 920648 UKMSUNONTOPOIO-UHFFFAOYSA-N 340 FALSE FALSE FALSE FALSE 80.8 null 96.7 70.2 52.2 86.6 91.2 20.05 43504_C-D145 50.9:23 52:106 53:23 54:498 55:4164 56:535 57:3682 58:316 58.9:348 59.7:129 60.9:454 62.9:97 65.9:172 67:1726 68:629 69:1 70:1 71:1 72:342 73:16387 74:430 75:10914 76:927 76.9:830 78:71 79:669 81:1176 81.9:161 83:687 84:490 85:1 86:1 88.8:461 89.9:10 91:672 93:501 95:601 95.9:584 97:1133 98:1002 99:1 99.9:6 100.8:49 103.9:88 104.8:127 105.9:115 107:393 107.8:208 109:419 111:1 112:413 113:146 113.8:108 113.8:108 114.9:268 116:698 116.9:9023 117.9:935 118.9:504 119.9:124 120.9:473 121.8:194 122.9:314 125:0 128:124 129:4465 129.89999:679 130.89999:843 131.89999:4630 132.89999:1367 133.89999:509 134.89999:157 137:242 138:84 138.89999:204 139.8:70 140.89999:271 141.89999:328 142.89999:349 143.89999:124 144.89999:3525 145.89999:701 147.89999:152 148.89999:322 149.89999:232 150.8:202 152.89999:0 154:1 156.7:265 158.89999:263 159.7:30 160.8:26 162:18 163.10001:16 163.89999:68 164.89999:157 165.8:96 166.89999:58 169:56 169.89999:394 170.8:458 171.89999:91 172.8:23 174:404 174.8:119 176:47 176.8:30 177.7:128 178.8:127 180:8 180.8:90 183:113 185:500 185.8:39 186.8:356 188:122 189.8:97 191.8:111 193.7:93 196.8:231 199.7:110 201.10001:559 201.89999:75 202.7:67 203.89999:373 206:22 206.89999:131 207.8:61 208.89999:5 210.89999:39 211.7:65 212.89999:457 214:40 214.8:74 217:701 218.8:62 220.89999:3 221.8:70 223.7:2 225.8:165 226.8:32 228:50 228.89999:174 232.89999:102 233.8:92 236:58 237:48 237:61 237.8:1 238.8:43 239.89999:8 241:380 241.7:128 242.8:167 243.89999:9 248.7:0 252.8:408 253.8:139 254.89999:263 256.70001:35 260.89999:152 267.89999:87 268.89999:47 273.79999:4 274.79999:39 275.89999:118 276.70001:33 280.29999:52 281.79999:19 282.79999:43 283.79999:129 285.79999:61 297:179 297.89999:27 298.79999:98 299.89999:29 300.89999:112 311:35 311.89999:110 313:13 314.89999:30 316.70001:145 324.70001:110 326.89999:54 329.10001:58 331.79999:226 338.70001:103 341.89999:104 353:406 353.89999:78 354.70001:95 355.60001:110 365.89999:82 367:5 369:336 370.89999:107 394.89999:41 395.79999:26 397:3624 398:1633 398.89999:381 400.10001:15 400.89999:93 412.20001:809 412.89999:273 428.70001:96 441:0 442.70001:39 448.89999:25 456.89999:34 460.70001:10 474.60001:42 10418.33 10791 17125.78 9228.223 10240.11 9900.111 6800.556 19669.67 12873.44 51318 44276.22 28204.45 15345.78 13539.89 14164.78 18669.11 11112.50002 17776.38213 10077.07364 26963.07598 593 9.692 339653.81 147 benzoic acid 0.403 5.65 338990 WPYMKLBDIGXBTP-UHFFFAOYSA-N 340 FALSE FALSE FALSE FALSE 81.1 0 96 71.1 55 82 97.5 441.17 42786_T-A13 50.1:14915 51.1:34530 52:25919 52.9:7300 54:2197 55:12847 56:22972 57:68473 58:46746 59:96894 60:32104 61:29625 62:3179 63:2206 64:3696 66:136529 69:22501 70:32413 71:26024 72:50759 73:539792 74:170341 75:166553 76:21648 77:78181 78:8543 79:53429 81.9:546 82.9:1489 83.9:5838 85:16957 86:14389 87:79992 89:8703 90:9645 91:5011 92:888 93:611 94.9:116 96:384 97:816 98:1076 99:55768 99.9:56550 100.9:23769 101.9:22091 102.9:26374 103.9:7559 105:91211 105.9:7465 106.9:1324 107.9:212 109:45 109.9:3521 110.9:910 111.9:69 113:8913 113.9:7492 114.9:24662 115.9:52241 116.9:40059 117.9:16599 118.9:5171 119.9:1236 120.9:1699 121.8:308 123:1 123.8:49 126:1100 126.9:3370 127.9:1932 130:65289 130.89999:76900 131.89999:166593 133:61669 133.89999:18982 135:59830 136:8377 136.89999:2809 137.89999:180 138.89999:940 140.89999:736 141.89999:723 142.89999:3332 143.89999:4541 146:118055 147:1525829 148:175203 149:85134 149.89999:7829 150.89999:3072 152:748 152.89999:530 153.7:160 154.89999:1258 155.89999:1478 156.89999:12292 158.89999:11698 159.89999:2210 160.89999:995 161.89999:129 162.8:291 163.60001:372 164.8:414 165.8:233 166.8:512 171:43261 172:8669 172.89999:39095 174:1051 174.89999:1309 175.89999:198 178.89999:100966 179.89999:15103 181:4353 182:668 182.7:114 183.89999:1617 185.89999:742 187.10001:335 189:637257 190:93690 191:46159 192:5304 192.89999:2905 193.89999:9109 194.89999:1413 195.7:472 197.10001:22 197.8:171 199.89999:162 201.60001:53 204:22783 206:3326 206.89999:122 207.8:136 209:75 212.89999:98 213.89999:989 214.89999:682 215.7:270 216.60001:1 218.89999:190 219.8:29 220.89999:626 222:179 222.89999:405 223.7:138 230.8:4853 231.89999:759 232.89999:341 234.10001:57 239.8:310 241.89999:176 242.8:75 244.89999:685 245.8:412 247.8:76 248.60001:126 258.89999:4056 259.79999:611 260.79999:248 262:312 262.79999:18 263.79999:16 265.79999:55 270.79999:20 276:84 282.70001:67 283.70001:89 285.79999:322 288.79999:113 291.70001:64 293.79999:386 294.70001:153 297.79999:189 301.79999:212 302.89999:359 303.79999:49 306:620 306.89999:257 308:62 318.89999:14089 319.89999:4371 320.89999:2447 322:744 326.70001:17 329.79999:144 333.79999:888 334.79999:284 335.70001:72 340.5:21 359.89999:829 360.79999:258 361.70001:42 414.70001:84 488.70001:45 4766307 330375 252135.7 383801.2 147223.8 208441.6 523305.8 281962 397859.7 66082 96873.78 93699.66 50332.22 43308.11 9910.667 258722.9 1920592.889 2803131.428 2400733.659 2554366.357 808 12.028 441514 235.9625 benzylamine 1 7.413 444794 440 FALSE FALSE FALSE FALSE 79.5 0 85.7 75.3 74.6 82.5 63 72.41 42113_C-D145 53:348 54:86 55:374 57:0 59:2043 59.9:72 60.9:356 62:369 62.9:343 64:221 64.9:715 67:255 70:454 71:151 71.9:36 73:696 75.9:214 77.9:249 79:418 81.9:282 85.9:1833 87:272 87.9:160 88.8:356 91:2110 92:234 94.9:450 96:42 99.9:1159 100.9:264 101.9:115 103:174 104:4 105:296 106.9:120 108.8:227 109.9:66 110.9:321 112:163 112.9:353 114.8:270 119.9:12 120.9:478 121.8:166 124:124 126.9:331 127.8:31 129.89999:1551 130.8:110 132:77 135:2363 135.89999:265 137.8:187 138.89999:19 139.8:106 141.89999:320 142.89999:252 143.8:193 144.60001:89 145.8:194 148:1331 150.10001:144 152.89999:97 154:48 154.89999:38 158:134 158.7:121 159.89999:234 161.89999:4033 162.8:792 163.8:311 164.8:63 166.8:44 171.8:269 173.89999:23 175.89999:147 177.10001:189 178.10001:150 178.8:107 180.10001:36 181.8:73 183.8:157 184.89999:187 192.8:159 194.8:76 195.8:60 197.8:138 202.8:72 206.8:106 208.8:71 213.8:380 214.89999:120 217.8:791 219.89999:133 220.8:139 222.89999:67 234:116 234.89999:197 235.89999:7465 237:1692 237.8:734 238.89999:163 251:1244 251.89999:338 252.7:185 256.89999:74 257.70001:15 258.79999:31 280.60001:192 282.60001:52 294.89999:47 8780.223 8884.667 7531.222 7367 4576.667 9147 7318.889 7636.111 9015.333 8327.667 9924.777 8126.889 10598 7930.333 9965.889 6993 10351.29248 10340.27137 2646.553022 3242.323382 798 11.896 436010.34 73 beta alanine 0.833 7.297 437797 UCMIRNVEIXFBKS-UHFFFAOYSA-N 340 FALSE FALSE FALSE FALSE 86.6 0 99.9 77.8 63.1 90.8 95.7 17.86 42907_T-D145 51:1 52:514 52.9:377 54:558 55:2010 58:0 59:9982 60:612 60.9:282 61.7:89 62.8:0 64.9:1 65.9:805 67:203 67.9:241 69:773 70.1:1 71:1 72:1858 73:97956 74:8489 75:4013 75.9:0 77:546 78:347 79:480 80:575 80.9:1 81.9:218 84:0 85:1154 86:6923 86.9:692 88:538 89:1046 89.9:135 90.9:0 92:104 92.8:125 95:131 95.8:173 97.9:0 98.9:1299 99.9:4820 100.9:5305 102.9:1696 104:61 104.9:287 105.8:92 106.7:92 108.9:22 109.8:287 111.9:310 112.9:922 113.9:1418 114.9:911 115.8:1 116.9:7709 117.9:835 119:651 119.7:247 120.9:176 123.9:81 125.9:79 126.9:108 127.9:1 128.89999:3941 129.89999:3340 130.89999:3294 131.89999:819 133:13551 133.89999:1991 134.89999:1353 135.8:336 136.60001:233 138.89999:75 139.89999:1 141:133 141.89999:443 142.89999:392 143.7:1 143.7:1 144.89999:302 145.89999:227 146.89999:24756 147.89999:4176 148.89999:3428 149.89999:640 150.8:326 151.89999:200 153:220 154.10001:64 154.89999:92 155.89999:136 157:665 157.8:526 158.7:234 159.89999:788 160.89999:304 162.8:203 163.89999:180 166.8:38 169.89999:1 171:197 172:1178 172.8:1163 174:20141 175:2371 176:2686 176.8:462 177.60001:163 179.60001:112 182.89999:171 183.8:149 184.89999:185 185.7:90 187.89999:513 189:2135 189.89999:2592 190.89999:2198 191.8:806 195.8:102 196.8:133 199.8:72 201.89999:2497 202.89999:1715 203.89999:1672 205:1404 205.8:364 206.8:1 207.89999:156 210.8:44 213.8:286 214.7:125 217:1280 217.89999:431 219:1 219.7:27 221:301 221.7:1 222.8:117 224:49 227.8:1000 229:270 230.89999:83 232:2784 232.89999:10107 234:2046 234.89999:989 235.5:306 240.7:143 242.8:273 243.8:87 245.8:539 248:23777 249:5497 249.89999:2964 250.8:588 256.60001:11 257.89999:77 258.89999:196 273.70001:58 287.70001:535 289.89999:2475 291.79999:327 292.79999:248 298.79999:121 303.89999:1007 304.89999:399 305.70001:126 321.89999:596 322.89999:346 408356.4 141016.8 35937.55 41220 64699.55 38896 182210.6 113980.6 130152.1 677886.1 196569.8 152969.7 205352.3 177941.9 62649.22 51824.45 264551.9941 197189.2289 334645.7341 251001.3659 166 6.943 207333.95 146.95 "butane-2,3-diol" 0.944 3.43 205778 OWBTYPJTUOEWEK-UHFFFAOYSA-N 340 FALSE FALSE FALSE FALSE 80.1 0 92.9 71.6 57.1 82.3 93.8 51.93 08504_C-D145 51:2198 52:4320 55:6060 56:1250 57:2143 59:1711 59.9:1951 61:4275 66:28560 67.9:542 70:436 72:5583 73:161163 74:14564 75:5294 77:1273 80:313 85:737 85.9:318 87:2908 88:9197 88.9:865 90:295 99:509 100.9:5107 102:3570 103:1711 103.9:360 114.9:1269 117:157527 118:16683 119:7463 119.9:150 128.89999:87 130.89999:8630 131.89999:1002 132.89999:16591 134:2589 134.89999:1363 141.8:66 144:26 144.89999:154 147:195668 148:30836 149:16086 149.89999:1530 150.89999:247 154.8:14 156.10001:13 157:119 158.8:108 160.8:0 161.8:8 174.89999:547 186.89999:314 189.89999:26255 191:32360 191.89999:7260 192.89999:1638 193.89999:180 202.89999:1065 203.89999:297 204.8:129 206:41 208.8:70 216.8:116 218.89999:10993 219.89999:1614 220.89999:1389 221.8:269 222.8:10 223.89999:72 224.89999:18 227.7:5 253:31 354.70001:10 1203676 571313.7 295207.6 217640.1 486654 135358.7 396490.4 300963.3 696432.8 1210.667 19406 12743 773523.1 41956 228581.2 95736.11 649933.3732 538852.0131 643805.7045 388028.3962 385 8.382 274349.38 141.975 butyrolactam 0.444 4.62 277199 HNJBEVLQSNELDL-UHFFFAOYSA-N 440 FALSE FALSE FALSE FALSE 87.1 0 93.9 82.6 90.6 82.8 57.9 242.07 42577_C-A22 50.1:1702 52:1427 54:1804 55:3388 56:0 59:22586 63.5:2133 64.9:127 67:2965 68:6088 79:640 79.9:346 82:2983 82.9:433 84:27 85:1884 86:8365 93.9:34 95.9:357 96.9:678 97.9:3668 99.9:27287 105.9:88 110:0 111.9:4636 112.9:684 114:819 114.9:135 121.7:2 122.8:10 123.8:342 125.9:2112 127.9:1126 135.89999:456 139:114 139.89999:4809 142:262056 143:31560 143.89999:9693 145:1336 153.8:155 154.89999:171 155.89999:12881 157:45525 158:6414 158.89999:1133 159.89999:56 169.89999:12 202.8:152 230.89999:92 237.7:475 238.8:87 240.7:174 298.79999:79 428.5:65 172398.4 40824 19509.45 124916.2 955 34203.67 153962.4 160040.9 26407.67 174141 201409.8 145121.1 219559 2337.556 512 128859.2 113134.8013 134224.1845 107728.2611 116900.8581 824 12.3 452351.34 116.9125 capric acid 0.764 7.54 452386 GHVNFZFCNZKVNT-UHFFFAOYSA-N 340 FALSE FALSE FALSE FALSE 84.1 0 99.5 73.9 55.9 90.8 94.1 14.57 42945_T-A13 52.9:830 55:4099 58:998 59.9:478 60.9:1504 61.8:27 63:74 64.7:61 66.9:1356 69:1744 71:541 72:1998 73:18680 74:2606 75:23605 75.9:1735 76.9:1465 77.9:228 81:1203 83:720 85:1254 86:736 88.8:571 91:16 91.8:46 92.8:11 94.9:1392 97:339 99:1661 99.9:527 104.8:508 105.8:2 106.9:124 108:80 108.9:89 110:451 111:141 111.9:172 114:195 114.9:358 115.9:1224 116.9:17985 118:1508 118.9:840 119.8:154 120.9:137 121.8:141 124.9:445 126:365 128:299 128.89999:5820 129.89999:135 130.89999:3214 131.89999:6170 132.89999:198 133.89999:306 134.8:113 135.8:124 138.10001:62 140.89999:286 142.89999:1322 144.89999:3538 147.89999:77 151.7:37 152.89999:65 156.89999:1693 159.89999:432 164:112 164.7:174 166.8:109 170.8:278 178.5:104 182:2 182.89999:96 183.89999:8 184.89999:864 186:240 189.7:189 193.8:89 197.8:0 198.89999:211 200.89999:849 201.89999:96 202.7:115 206.89999:338 214.8:214 221.8:100 222.8:63 223.89999:44 224.8:197 226.8:55 227.89999:686 229:15375 230:2682 231:943 244.60001:243 247.8:0 249.8:77 252.7:21 255.8:91 257.79999:16 299.70001:155 432.60001:53 15721 12754.89 11618.22 13688.67 1894.111 11814.44 1902.778 2211.556 1983.778 18757.89 18002.11 16336.33 16787.67 15908 12537.22 1087.889 14297.82742 13355.8268 5178.150287 6241.12824 1712 24.257 932354.38 73 cellobiose 1 15.536 932179 GUBGYTABKSRVRQ-QUYVBRFLSA-N 340 FALSE FALSE FALSE FALSE 91.8 null 100 86.4 79.7 91.4 96.6 20.75 38024_T-D145 50.9:579 52:415 53:1443 54:1888 55:5259 56:1702 57:5817 58:2869 59:13316 59.9:1423 60.9:2083 61.9:212 62.8:262 63.7:74 64.9:370 66:1120 67:2179 67.9:1259 69:6876 70:2369 71:4837 72.1:9734 73:643325 74:53463 75:46371 75.9:2726 77:2981 77.9:394 78.9:692 80:718 81:4181 82:1421 83:358 84:1566 85:4887 85.9:1727 87:2279 88:2156 89:22294 90:2127 90.9:1249 91.9:113 93:450 93.9:347 95:503 95.9:311 97:1970 97.9:1055 99:2880 100:7897 101:8980 102:5268 103:91516 103.9:9200 105:16343 105.9:2037 107:867 107.8:258 109:1187 109.9:653 111:983 113:4992 113.9:4066 114.9:4053 115.9:5106 116.9:59350 117.9:6723 118.9:4832 119.9:406 120.9:332 123:70 124:188 126:641 126.9:3947 128:2459 129:73872 130:12195 130.89999:16811 131.89999:3074 132.89999:31243 133.89999:4769 134.89999:3191 135.8:556 136.8:490 137.8:514 139:561 139.89999:591 141:2628 141.89999:3281 142.89999:15259 144:2413 144.89999:5327 146.89999:188646 147.89999:31225 148.89999:21361 149.8:2174 150.89999:1120 151.8:391 152.89999:904 153.8:664 155:8930 156:2262 157:12732 157.89999:3414 159:3527 159.89999:49777 161:8957 161.89999:3053 163:6439 164:1313 165:814 165.8:227 166.89999:974 168:1371 168.89999:40892 170:6741 170.89999:3919 171.89999:1890 172.89999:5208 173.89999:1796 175:3359 175.8:573 176.89999:2776 177.8:570 178.8:427 179.89999:554 180.89999:982 181.8:327 182.89999:1281 183.8:758 184.8:1484 185.89999:2505 186.89999:1867 188:867 188.89999:21223 189.89999:5354 190.89999:44461 191.89999:8627 192.89999:4406 193.89999:554 194.8:940 195.89999:625 196.8:630 198:1247 198.8:1132 199.8:697 200.89999:2116 201.8:1277 203:6209 203.89999:298458 204.89999:134631 205.89999:41186 206.89999:12506 208:2402 208.89999:966 210:4338 211:1330 212:652 212.89999:688 213.89999:681 214.89999:4535 216.89999:165715 218:42537 219:19366 219.89999:3477 220.89999:7630 222:1687 222.8:1074 223.7:138 225:380 226:250 226.8:659 228:1105 228.89999:14360 230:7262 231:16522 232:5633 232.89999:10632 233.89999:3282 234.89999:1451 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343.79999:387 344.89999:431 345.89999:184 346.79999:104 350.79999:40 352.89999:3095 353.89999:1056 354.89999:255 357.79999:126 359:0 359.70001:189 360.79999:334 361.70001:171 364.70001:81 367:2504 367.89999:2699 368.89999:1111 369.89999:338 370.89999:281 371.70001:379 372.70001:155 373.60001:0 377.89999:152 378.79999:306 390.89999:117 391.89999:355 392.89999:1229 393.89999:340 394.89999:239 395.79999:89 405.70001:178 412.89999:313 413.79999:154 414.89999:51 416.70001:557 417.70001:350 418.89999:573 419.70001:407 420.79999:192 427.79999:292 428.60001:246 431.89999:487 432.89999:1368 433.79999:516 434.79999:392 443.70001:513 444.79999:223 446.20001:146 506.89999:1241 508:548 508.89999:432 13643.56 6020 64468.22 79573.45 6656 105339.6 8868.556 86905.55 6127.889 16602.67 8802.111 6592.222 8794.889 11747.44 125726.3 9182 29582.87729 39726.5162 27192.37348 32633.64294 952 13.589 505147.97 115 creatinine 0.806 8.377 502599 DDRJAANPRJIHGJ-UHFFFAOYSA-N 440 FALSE FALSE FALSE FALSE 86.7 0 95.9 80.5 79.3 86.5 72.2 25.6 38266_T-D145 59:2742 60:159 61:260 63.8:8 75:118 78:187 84:1 86:1 87:341 87.9:226 89.9:199 95.9:1 99.9:13615 100.9:1558 114:3057 115:47804 116:5708 128:517 131.8:616 136.8:0 137.60001:43 139.89999:71 140.89999:238 142.10001:194 142.89999:9582 143.89999:1707 145:1338 146:1465 149.89999:42 150.8:322 156:1055 156.89999:262 157.89999:2213 158.89999:474 159.7:325 162.8:27 163.8:23 170:247 170.89999:7187 171.89999:2048 172.89999:1441 173.89999:398 179.8:48 183.89999:232 184.89999:263 185.89999:293 186.89999:1117 187.89999:588 193.8:115 198.8:197 199.89999:173 200.89999:316 201.89999:179 202.89999:212 210.89999:99 211.8:218 212.89999:176 213.89999:77 214.7:533 223.60001:6 224.8:35 225.8:250 226.89999:93 227.8:283 228.89999:174 229.89999:18 230.8:39 232.89999:271 233.7:33 240.8:907 241.89999:361 242.89999:797 248:107 255.89999:628 258:1033 258.89999:327 260:250 260.89999:463 261.79999:29 271.89999:186 290:76 299.70001:13 301.79999:216 302.89999:83 314:897 314.89999:1118 315.89999:239 328.89999:1346 329.89999:1775 330.89999:1075 331.89999:270 340.79999:77 346.79999:35 348.89999:64 354.70001:203 355.79999:151 471.8889 403.8889 694.1111 359347.3 518.3333 625.1111 913.5555 490.3333 1004.778 389 1235.778 974.3333 949.7778 1099.778 1141.889 1296.667 840.0350938 11332.7454 312.4521977 61493.23917 1556 20.852 795582.69 145.915 cystine 0.931 13.277 796604 LEVWYRKDKASIDU-UHFFFAOYSA-N 340 FALSE FALSE FALSE FALSE 88.8 null 97.6 83 71.9 94.5 93.3 15.19 43462_C-A13 53:56 54:268 58:688 59:1725 60:249 61:616 61.9:103 62.9:45 64.8:19 65.8:149 67:115 71.9:818 73:23227 74:3696 75:5687 76:1705 77:288 77.8:96 79:489 79.8:123 85.9:150 86.9:706 87.9:85 89:148 89.9:194 90.9:413 91.8:124 93:150 93.8:72 97.9:64 99.9:4460 100.9:613 101.9:526 104.9:87 105.8:193 106.8:212 107.9:95 108.9:9 113.9:729 115:1895 115.8:1082 116.9:335 117.7:244 118.9:126 119.7:140 120.9:64 121.8:45 123:0 127.8:150 128.89999:261 129.89999:802 130.89999:1282 131.89999:1326 132.89999:573 133.8:170 134.8:110 135.8:194 136.89999:137 137.89999:76 140:86 141.8:102 142.89999:181 143.89999:630 144.8:93 145.89999:11939 146.89999:4783 147.89999:5711 149:926 149.8:489 150.89999:31 157.89999:96 158.89999:217 160:167 160.89999:207 161.60001:111 163:157 163.7:110 164.89999:131 165.5:137 169.8:27 170.8:15 171.89999:228 172.7:183 173.7:81 174.89999:33 175.8:110 176.8:67 177.8:462 178.8:480 179.8:189 180.7:38 183.7:112 185.8:22 187.89999:970 188.7:13 189.7:130 190.2:180 190.89999:67 192.2:328 192.2:294 192.8:56 193.89999:370 194.89999:72 198.89999:38 200.8:93 201.89999:136 203:222 208.7:51 212.10001:20 213.89999:194 215.89999:1674 218:12687 218.89999:2929 219.89999:1819 221:91 221.8:475 222.8:58 224.10001:3 224.8:91 229.7:154 231.89999:2759 232.89999:573 233.7:287 237.8:24 238.7:62 240.89999:56 241.89999:16 244.7:28 245.8:104 246.60001:39 247.89999:114 249:210 249.7:374 250.7:139 253.8:15 254.8:177 255.89999:56 260.70001:76 261.79999:116 263:34 263.79999:515 264.79999:295 265.70001:666 266.70001:49 268:87 272.70001:7 274.79999:44 297.60001:45 298.60001:28 299.89999:111 300.70001:40 315.70001:123 330.89999:108 336.70001:200 337.89999:50 338.89999:2432 339.79999:604 341:340 342:35 344.70001:394 357:169 8178.444 2494.778 7197.333 3596.444 1768.667 2565.444 3256.222 4508.111 3179.333 9881.777 2652.889 2129.333 2700.778 4672.222 4254.111 1337.111 8626.415184 9463.548911 7308.050465 9332.539294 1814 28.747 1108685.5 428.0632 deoxycholic acid 0.611 18.448 1106875 KXGVEGMKQFWNSR-LLQZFEROSA-N 340 FALSE FALSE FALSE FALSE 80.7 null 87.2 76.4 63.9 83.3 100 35.23 38358_T-D145 50.9:169 51.9:157 53:514 54:114 55:9872 56:841 57:999 57.9:633 59:1638 59.8:308 61:1345 61.8:221 63:83 64.9:271 65.9:234 67:4505 68:724 69:2705 70:1 71:598 71.9:1421 73:43613 74:4105 75:27123 75.8:1877 76.9:2444 77.9:509 79:4539 79.9:556 81:8770 82:841 83:3307 83.9:468 85:1177 86:150 86.8:171 87.7:219 88.9:696 90:231 91:4776 92:873 93:7835 94:2075 95:7903 96:641 97:1056 99:240 101:1754 101.8:215 103:1315 104:374 105:6454 106:1586 107:7531 108:1677 109:3897 109.9:231 111:491 111.9:158 112.9:635 113.8:165 114.9:810 115.9:1702 117:9567 117.9:1771 119:5302 120:1916 121:5132 121.9:1105 123:1459 123.8:239 124.9:425 125.8:418 127:702 127.8:191 128.89999:11591 130:1608 131:5172 131.89999:2165 132.89999:5767 134:1504 134.89999:4287 136:656 136.89999:628 137.8:61 138.89999:185 139.8:114 141:602 141.89999:1175 143:2482 143.89999:856 145:6350 146:1972 147:10392 148.10001:2493 149:4956 149.8:749 150.89999:533 151.89999:234 152.89999:387 154:114 154.89999:1212 155.7:521 157:2356 158:1039 159:4826 159.89999:2325 161:4044 161.89999:897 162.89999:2003 163.89999:391 164.89999:475 166:273 166.8:418 167.89999:1023 169:1287 169.8:397 171:1744 171.89999:624 172.89999:3986 174.10001:1188 175:2543 175.89999:646 177:1550 178.10001:371 178.8:512 179.89999:211 181:644 182:398 182.89999:767 183.89999:180 185:1798 186:913 186.89999:1417 188:398 188.89999:988 189.7:275 190.89999:337 191.89999:90 192.89999:332 193.89999:216 194.89999:808 195.8:193 197:672 197.8:371 199:2457 200:1460 200.89999:3070 202:954 202.89999:759 203.8:459 204.89999:133 205.7:341 206.89999:1018 207.89999:93 208.89999:753 209.8:682 211:754 212:554 213:4499 214:1562 215:1853 215.8:715 217:811 217.89999:150 218.89999:369 220.89999:284 221.89999:102 222.89999:205 223.89999:200 224.89999:345 226:300 226.89999:789 228:1413 229:1723 229.89999:550 231:336 231.89999:65 232.89999:248 233.8:121 234.7:249 235.89999:102 236.89999:155 238.2:184 239:680 239.89999:380 240.89999:431 243:4501 243.89999:1105 244.89999:528 245.8:80 246.7:108 247.60001:81 248.7:155 249.5:171 250:199 250.89999:233 251.7:111 251.7:68 252.89999:795 254:927 255.10001:14878 256:3097 257.10001:501 258:171 258.79999:15 260.79999:56 261.79999:145 262.39999:255 262.39999:165 263.89999:140 264.79999:364 265.89999:1106 267:538 267.89999:267 268.89999:155 269.89999:79 270.79999:101 272.70001:175 274:89 276.70001:85 278.89999:413 279.89999:129 280.79999:494 282:74 282.79999:366 283.89999:173 284.89999:72 285.79999:57 286.79999:15 288.89999:107 290.89999:158 291.79999:269 292.89999:233 293.70001:77 296:328 296.89999:1663 297.89999:274 298.79999:221 299.79999:118 300.89999:88 302.89999:435 303.79999:135 304.79999:789 306:391 306.89999:868 308:306 309:207 309.89999:159 313.89999:36 314.70001:1 316.70001:84 318.10001:193 318.10001:193 318.89999:533 320.10001:1076 321.10001:694 321.79999:258 322.89999:665 323.79999:284 324.89999:147 329:66 332.70001:197 334.89999:70 338.60001:295 339.70001:64 340.79999:107 341.89999:72 343.89999:146 345:1507 346.10001:690 346.79999:238 354.79999:214 355.70001:35 358.60001:60 359.89999:10 360.89999:103 366.5:6 370.89999:179 372:154 372.70001:204 373.89999:435 374.70001:253 376:146 384.60001:49 384.60001:107 385.89999:413 386.89999:213 388.20001:46 388.70001:169 399:141 400.79999:125 401.79999:45 407.60001:13 408.89999:131 413:4108 414.20001:1717 414.89999:340 415.70001:83 416.60001:61 426.89999:78 428.10001:16367 429:7195 430:1939 430.89999:324 444.79999:39 456:28 474.89999:115 475.89999:86 476.70001:101 488.89999:23 489.70001:27 490.60001:116 503:298 504.60001:109 516.40002:57 517:131 517.70001:299 518.29999:300 548.90002:16 549.70001:120 550.90002:23 4224.222 4192.778 6957.444 972.4445 1801.778 1921.889 1847 6244.333 2215.778 2130.778 13894.56 3462 2407.778 1259.556 1574.222 2624.667 1876.046783 2565.039217 2295.884127 3120.187709 1683 23.464 900639.94 78.99039 docosahexaenoic acid 1 15.047 902819 MBMBGCFOFBJSGT-KUBAVDMBSA-N 440 FALSE FALSE FALSE FALSE 80.3 null 87 75.9 53.6 97.3 100 22.79 42907_T-D145 51:817 52:407 53:3592 54:2023 55:14409 56:1580 57:3689 58:949 59:1075 59.9:449 60.9:1991 61.8:232 62.8:230 63.9:88 65:3633 66:4175 67:21593 68:2402 69:4051 70:1631 71:2574 72:1178 73:40145 74:4111 75:32867 76:2400 77:11073 78:5573 79:30687 80:11289 81:9245 82.1:1902 83:1924 84:909 85:2160 86:777 86.9:442 87.9:208 88.9:963 91:21299 92:5367 93:14133 94:6390 95:6935 96:636 97:1447 97.9:227 99:1332 99.9:467 100.8:505 101.9:287 102.9:2809 103.9:1384 105:11046 106:4300 107:5948 107.9:7135 109.1:2290 109.9:437 111:504 111.9:238 113:792 115:1306 116.1:1526 116.9:11863 118:2575 119:10460 119.9:3521 121:3857 121.9:1579 122.9:791 123.9:0 125:143 125.9:251 126.9:743 128:886 128.89999:7125 129.89999:1463 131:5394 131.89999:1832 132.89999:5458 134:3589 134.89999:2506 135.89999:763 136.89999:514 137.7:174 138.89999:225 140.89999:862 141.8:363 142.89999:1656 143.8:410 145:4746 145.89999:1284 147:3826 147.89999:2520 148.89999:1006 149.89999:341 150.8:234 151.89999:0 153:335 154.10001:320 154.89999:1070 155.89999:596 156.89999:1051 157.8:374 158.89999:2313 160:1020 161:2938 162.10001:1347 162.89999:792 163.89999:167 164.89999:244 165.8:77 166.89999:268 167.89999:269 168.89999:417 170:234 170.89999:862 171.89999:251 172.89999:1648 174:1421 174.89999:2346 175.89999:1412 176.8:339 180.8:236 181.8:188 182.89999:677 183.8:1 184.8:804 185.8:447 187:1132 187.8:514 188.89999:672 189.89999:299 190.89999:194 191.89999:201 192.89999:674 193.8:280 194.89999:328 195.89999:103 197:355 199:539 199.89999:201 200.89999:1270 202:359 203:496 203.89999:372 204.89999:514 206.10001:25 207.89999:212 210.7:328 211.8:33 212.89999:325 213.8:68 214.8:884 216.89999:89 217.8:145 218.89999:423 220.10001:166 220.89999:134 221.89999:237 222.7:227 225:292 225.89999:78 226.8:258 227.8:265 228.89999:371 229.89999:168 230.89999:1 234.8:303 236.8:68 238.89999:228 240.89999:220 241.8:173 242.89999:265 243.8:105 244.8:0 245.60001:103 246.89999:65 247.89999:23 248.60001:257 249.8:49 250.7:194 251.8:207 254.7:154 255.7:308 257.79999:69 258.70001:1 262.79999:277 263.89999:85 265:70 265.70001:477 266.79999:250 267.60001:182 268.89999:90 269.89999:85 270.89999:66 271.79999:77 272.89999:142 273.89999:282 275.70001:89 276.89999:255 278.70001:132 279.70001:48 280.70001:96 282.60001:164 283.79999:236 284.79999:78 285.60001:129 288.89999:281 290:182 290.79999:331 291.89999:257 292.89999:202 293.89999:338 294.79999:179 295.89999:93 296.89999:58 298.79999:293 299.89999:135 300.79999:69 304.89999:357 306:435 306.89999:214 308.89999:99 309.70001:173 311:179 313.70001:85 315:141 316.89999:111 317.89999:166 318.89999:120 322.10001:185 322.89999:224 325.79999:55 326.70001:99 328.60001:29 332.70001:383 333.79999:291 334.79999:120 336.79999:166 337.70001:165 342.60001:237 348:116 355.39999:42 356.70001:116 359.89999:88 361.10001:128 368.20001:99 369:165 372.79999:232 374.70001:77 386.79999:513 387.89999:241 392:183 401.5:126 401.5:204 402.60001:229 414.60001:99 415.5:128 445.79999:176 449.79999:284 474.39999:197 474.89999:297 488.39999:130 517.70001:222 24974.33 23092.22 22479.55 24062.78 15321.56 24435.22 25633.11 23438.45 31510.33 44001.55 33947.67 20280.55 29015.22 30011.11 20849.78 26041.22 16565.87143 18342.4444 11299.16402 11526.98405 881 12.837 475067.09 73.06842 erythritol 0.986 7.865 471922 UNXHWFMMPAWVPI-ZXZARUISSA-N 440 FALSE FALSE FALSE FALSE 83.3 0 89.5 79.2 69.6 89.1 88.2 47.3 43462_C-A13 59:4104 68:0 70:0 73:102952 74:8579 78.9:296 81:57 87:433 87.8:620 89:2261 91.8:151 91.8:306 94.8:217 97:1243 99.9:630 100.9:4222 103:29949 103.9:2425 104.9:1490 105.9:190 109:0 111.1:1462 114.9:706 116:5570 117:16028 118:1389 118.9:1345 123:228 123.9:157 127.9:1 129:4231 129.8:401 130.89999:2915 132.89999:9115 133.89999:1353 134.89999:1139 136.7:165 138.8:93 142.89999:1154 144:6108 144.89999:976 146.89999:38625 147.89999:5824 148.89999:4393 149.89999:1408 152.8:181 154:210 159:383 161:420 166.8:112 170:1 170.89999:688 174.8:1110 175.89999:288 176.8:581 184:207 188:1485 188.89999:9645 189.8:1934 191:7551 191.89999:1304 192.8:612 197:71 199.89999:1 200.8:1 202.8:1031 203.89999:10796 205:19762 205.89999:4232 206.89999:2561 207.8:428 208.8:351 210.3:75 211:218 212.8:24 214.89999:836 217:31451 218:7185 218.89999:2893 220.10001:583 220.89999:1946 221.8:458 226.8:13 227.7:43 228.5:115 229.8:325 230.89999:1420 245.8:255 251.89999:301 257.70001:132 277:2029 277.79999:504 289.79999:317 290.89999:580 291.5:581 291.5:374 293:3041 293.89999:853 294.79999:584 304.89999:917 306:133 306.89999:6629 307.79999:1850 308.89999:976 309.89999:154 319.89999:1031 320.89999:384 634487.3 517348.7 527849.8 76413.78 52250.45 443030.3 98937 73130.11 535701.6 639497.4 687867.3 788715.1 711912.4 615902.9 456422 50355.78 3327975.275 3128450.921 2797731.504 2947843.283 599 9.856 341036.25 298.9333 ethanolamine 0.486 5.73 343800 HZAXFHJVJLSVMW-UHFFFAOYSA-N 440 FALSE FALSE FALSE FALSE 81.8 0 83.1 80.9 81.6 72.8 95 16673.21 95899_T-D145 51:1217 52:640 53:3373 54:1500 55:16456 56:6686 57:39035 58:31958 59:159521 60:13351 61:53083 62:3528 63:5041 63.9:397 65:3210 66:13372 67:2685 68:669 69:5006 70:17612 71:27690 72.1:85221 73:2477326 74:218809 75:191159 76:11290 77:49960 77.9:3993 79:8241 79.9:1353 80.9:990 81.9:1204 83:3695 84.1:600 85:17322 86.1:2711 87:22198 87.9:4423 88.9:25385 89.8:7036 90.9:16750 92:2445 92.9:4007 93.9:820 95:1261 96.1:2858 96.9:1908 97.9:1862 99:3523 100:1008 100.9:5962 101.9:8445 102.9:88528 103.9:19428 104.9:55226 105.9:9063 106.9:27344 107.9:2589 108.9:8964 109.8:684 110.9:1130 112:1598 112.9:7916 114.9:120481 115.9:17870 116.9:56424 117.9:12118 118.9:97166 119.9:15274 120.9:64738 121.9:8872 122.9:27232 123.8:1076 125:2446 125.9:3529 126.9:1518 127.9:284 128.89999:3271 130.89999:109921 132.89999:644238 133.89999:90436 134.89999:209682 135.89999:25842 136.89999:92569 137.89999:9293 138.89999:8992 139.89999:1011 140.89999:886 141.89999:437 142.89999:3055 143.89999:508 144.89999:10310 147:258393 148:39273 148.89999:29903 149.89999:9311 150.89999:46370 151.89999:6587 152.89999:11550 153.89999:863 154.8:681 155.89999:413 157:433 157.8:1 158.89999:3292 159.8:484 160.89999:4674 162.89999:18482 163.89999:4170 164.89999:42727 165.89999:8965 166.89999:42391 167.8:4626 168.89999:3146 169.89999:574 170.89999:1333 171.89999:343 173:123 173.89999:1044 174.89999:5774 175.89999:6129 176.89999:34567 177.89999:10230 178.89999:39825 179.89999:10921 180.8:100619 181.89999:14502 182.8:25455 183.8:2473 184.8:1665 186.8:892 188.89999:72007 190:16665 190.89999:232591 191.89999:46487 192.89999:284674 193.89999:52462 194.89999:69979 195.89999:9740 196.8:15165 197.89999:1874 198.8:871 199.8:84 200.8:442 201.8:261 202.8:2724 203.89999:458 204.89999:55846 206.89999:352000 207.89999:72129 208.89999:57910 210.89999:539668 211.89999:80511 212.89999:40696 213.8:3881 214.89999:703 216.89999:569 217.8:170 218.89999:1180 220.89999:32318 221.89999:7491 222.89999:7881 224.89999:108527 225.89999:19188 226.89999:30741 227.89999:5029 228.8:2089 229.8:181 230.89999:76 234.8:326 236.89999:2239 237.89999:471 238.89999:6620 239.8:1315 240.8:1650 241.89999:244 248.7:133 250.7:300 251.89999:1732 252.8:19405 253.8:3946 254.89999:13986 255.89999:3047 256.79999:1367 257.70001:130 258.70001:121 262.60001:0 264.70001:80 266.89999:15901 267.89999:4472 268.89999:49174 269.89999:10465 270.89999:6010 271.89999:998 272.79999:330 280.79999:772 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60:31975 61.1:36487 62:2224 63:1157 64:282 65.1:2586 66:10106 67.1:8364 68.1:9236 69:11160 70.1:33423 71.1:42890 74.1:1105578 75.1:678491 76:33402 77:12092 78.1:851 79:1 81.1:3440 82:33846 83.1:11789 84:167511 85:44408 86:19243 87:61710 88.1:75297 89:668473 90:60812 91:30118 92:1971 93:433 94:5041 98:21523 99:42636 100:107264 101:184431 103.1:6642452 104:859947 105:391235 106:22716 107:4358 107.9:1454 109:1543 109.9:3583 111:9097 112:9042 113:73533 114:107183 115:74891 116.1:85858 117:988934 118:110396 119:126075 120:13635 121:7088 122:336 124:1359 125:1 126:46991 127:30129 128:52256 129:505880 130:123876 131:331864 133:1421240 134:184120 135:98554 136:3042 137.89999:2629 139:3148 140:6417 141:13717 142:69880 143:114674 144:32420 145:75611 147:3641820 148:632156 149:391787 150:45822 151:20398 151.89999:9245 154:9437 155.10001:10137 156:34686 157:123949 158:49588 159:51426 160:20896 161:35281 163:165567 164:30573 165:26591 166:8600 167:3440 168:17920 169.89999:7067 172:437036 173:353023 174:81771 175:161228 176:30387 177:101477 178:16802 179:584 180:11514 180.89999:1589 182:4752 182.89999:2604 183.89999:8447 184.89999:5243 186:20213 187:19869 189:712204 190:177939 191:446777 192:95296 193:47438 193.89999:6756 195:2704 196.89999:663 198:10239 199:7420 200:41433 201:214473 202:172715 203:115127 204:401950 205:849789 206:179363 207:163056 208:36044 209:11914 210:3746 210.89999:1619 214:74006 215:22603 217:5821283 218:1100978 219:610650 220:86468 221:151598 222:39009 222.89999:25909 224:5108 225:2070 226:6337 227:6475 228:20170 229:17798 230:58608 231:134317 231.89999:63455 233:35167 234:10541 235:58890 236:15656 237:2908 238:3679 239.89999:10463 241.89999:19901 243:19595 244:73714 245:19430 246:39288 247:50486 248:13269 249:9857 250:3343 251:2951 251.89999:1146 253.89999:212 256:79850 256.89999:14363 258:7693 260:82096 261:47186 262:77821 263:127419 263.89999:46949 265:23978 266:8059 266.89999:6330 267.89999:9374 269:6253 270:7571 270.89999:7037 271.89999:5452 274:7459 275:14978 277:632820 278:175244 279:81870 280:32576 281:10352 282:6981 282.89999:1386 283.79999:1484 285.10001:769 286:7120 288:34538 289:25149 291:164288 292:65102 293:28233 293.89999:7966 294.89999:373 296:612 296.89999:268 299:516 300:7308 302:24136 303:20594 304:19042 305:26691 307:3545412 308:837561 309:447682 310:113008 311:38919 312:1317 314:571 314.89999:2900 316:3120 318:45665 319:36857 320:3372 322.89999:1541 323.89999:1791 326.89999:311 328:174 330:11976 331:9174 332:24439 333:1582 334:12259 335:76723 336:30016 337:19857 338:1784 338.89999:2453 339.89999:450 342.89999:541 344.89999:4691 348:5466 349:955 350:1172 352:10272 353:908 355.89999:937 357.89999:12172 358.89999:4957 360:2481 361:3769 362:1278 365:216773 366:32471 367:5375 368:5878 371.89999:309 377:194 378:5345 378.89999:2826 380:3683 387.89999:1423 392:4772 395.89999:462 407:1309 408:1521 411:1834 412:682 416:724 416:724 417:835 421:350 421.89999:138 422.89999:650 423.70001:206 425:856 426.70001:216 434:1163 438:1129 446:343 448.10001:3465 451:1085 451.79999:134 461.70001:191 470:153 477.70001:139 481.10001:1148 494:4499 495.89999:332 496.70001:259 518.79999:91 526:798 527:217 540.09998:1937 557.09998:1611 558.09998:1601 559.09998:453 559.79999:167 572:3564 573:1174 573.79999:316 74922.55 37466.78 102890.6 105960.1 99878.89 103978.4 95782.89 99221.34 108993.7 102076.2 111993.6 117144.4 108608.7 93029.55 79133.11 84640.22 3128953.475 2667318.394 2767633.857 2773898.555 1568 21.157 807946.19 410.954 fructose-6-phosphate 0.958 13.456 807380 BGWGXPAPYGQALX-ARQDHWQXSA-N 340 FALSE FALSE FALSE FALSE 83.7 null 99.6 73.2 63.9 83.7 80 27.76 37991_C-A22 52.9:52 54:137 55:588 56:1 57:633 57.9:311 59:760 60.9:372 63.9:78 67.9:1 69:432 70:348 71:1 72.1:371 73:12822 74:1269 75:1698 76.9:418 77.9:98 82.9:182 84:445 84.9:0 85.9:237 88:123 88.9:597 90:122 92:96 96:0 96.9:85 97.9:178 99:1 99.9:683 100.9:708 101.9:297 103:335 103.9:1 111:1 111.8:1 112.9:78 113.8:453 115:218 115.9:421 117:1 117.9:148 118.8:291 119.9:34 120.7:61 126:160 127:268 127.9:1 128.89999:1083 129.89999:430 130.89999:568 131.8:214 132.89999:1130 133.89999:177 134.8:54 138.89999:79 139.7:44 140.8:47 141.8:479 142.89999:1 143.8:70 144.8:72 145.89999:97 146.89999:1592 147.89999:578 148.89999:253 150.10001:1 150.8:87 154.89999:55 156.89999:286 157.7:174 158.8:361 160.8:256 162.8:55 166.8:44 168.89999:0 169.89999:0 171.89999:36 176.7:198 177.7:58 178.8:163 179.8:86 180.8:25 181.89999:0 182.89999:123 185.8:50 186.89999:38 187.89999:1 188.8:36 189.8:37 190.89999:68 191.89999:105 193.10001:366 193.10001:366 196.89999:203 197.8:69 200.8:106 201.89999:107 202.8:131 203.89999:220 204.89999:41 205.89999:1 207.89999:59 209.89999:172 210.8:230 211.89999:445 214.8:204 215.89999:348 216.89999:3059 218:970 219:304 219.8:43 220.8:210 221.89999:115 222.8:244 223.89999:195 224.8:412 225.89999:138 226.8:334 227.7:250 228.8:218 230:323 230.8:227 231.8:112 233.8:71 235.60001:22 236.60001:100 238.10001:131 242.8:63 244.10001:105 245:164 245.8:411 246.8:276 247.89999:118 249.8:171 251.60001:20 252.89999:202 255:156 256.79999:474 257.89999:51 258.89999:61 259.79999:107 260.89999:30 261.89999:674 263:210 263.79999:170 264.70001:115 265.70001:86 266.70001:124 267.70001:177 268.70001:208 269.89999:265 270.79999:166 271.79999:79 272.70001:24 273.79999:83 274.79999:149 276.89999:17 279:48 282.70001:195 283.70001:41 284.70001:222 285.70001:187 287.79999:83 293.89999:138 294.70001:166 295.79999:66 296.79999:136 298.89999:3372 299.79999:745 301:874 301.89999:142 302.89999:46 303.89999:107 304.89999:1 305.89999:62 306.70001:85 307.89999:146 309.89999:154 310.89999:38 312.60001:51 312.60001:38 314.89999:7430 315.89999:2161 316.89999:1040 318:109 318.79999:54 319.79999:1 324.70001:41 325.79999:13 327.89999:240 329.79999:120 330.70001:114 331.79999:148 333:377 333.89999:248 335.70001:113 338.79999:74 340.60001:310 346.89999:0 347.89999:81 349.89999:428 350.89999:202 351.89999:213 354.89999:186 356.79999:1043 358.79999:66 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55:4221 56:387 58:11075 59:10003 59.9:2971 60.9:9463 62:838 62.8:363 63.9:419 65:257 66:2632 67:1437 68:3337 68.9:5251 70:1089 72:4870 73:153192 74:15966 75:72148 76:5330 77:3342 77.9:682 78.9:900 79.9:125 80.9:1176 82:2303 83:24639 84:10725 85:881 86.1:429 86.9:455 88:217 89:1511 90:112 90.9:250 92.9:346 93.9:20 94.9:312 96:118 97:677 97.9:2823 98.9:1598 100:395 100.8:689 102.9:1362 103.8:201 104.8:636 105.7:13 106.8:148 107.8:233 108.9:55 110:978 110.9:430 112.9:2036 114:567 114.9:13598 115.7:1797 116.9:644 118:180 118.8:1104 119.9:362 120.9:175 122.9:66 123.9:146 125:461 125.9:2628 126.9:4823 127.8:2466 128.89999:1425 130:691 130.89999:3688 131.89999:2098 132.89999:16642 133.89999:2636 134.89999:1755 135.7:141 136.8:2 138.8:759 139.89999:106 141:52 142:508 142.89999:36078 144:5820 144.8:1842 146.89999:92710 147.89999:14659 148.89999:11865 149.89999:1475 150.8:395 151.8:163 153.10001:10 154.89999:7725 155.89999:1409 156.89999:5539 157.89999:1273 158.89999:1183 159.8:252 161:275 167.89999:181 169:44 169.89999:2018 170.89999:3070 171.8:415 172.89999:1045 174.7:163 175.8:187 176.8:91 178.89999:156 179.8:331 180.60001:46 181.7:270 185:298 186:67 186.8:217 187.89999:30 189:117 191.7:102 192.89999:28 194.89999:131 196.8:251 197.8:29 199.89999:376 200.89999:966 201.89999:155 208.60001:43 210.60001:23 213.89999:112 214.89999:1154 216:328 216.89999:3774 217.8:468 219:141 220.89999:1030 221.89999:230 222.89999:98 223.60001:178 224.10001:160 224.8:78 231.89999:289 233.8:65 234.7:27 235.8:74 241:223 241.8:736 244.89999:207752 245.89999:40738 246.89999:18970 247.89999:2650 248.8:538 249.7:132 250.60001:54 252.10001:68 252.10001:78 252.10001:11 258.70001:56 260.89999:97 266.79999:422 267.70001:167 267.70001:167 268.79999:446 270.70001:107 280.89999:232 281.70001:147 282.79999:46 285.79999:113 288.79999:2157 289.89999:456 290.70001:229 291.89999:1 293:37 293.79999:32 299.89999:27 300.79999:138 313.60001:81 320.79999:50 322.79999:51 324.79999:51 326.70001:38 338.70001:722 339.79999:167 340.70001:164 342.89999:310 354.70001:316 355.70001:97 356.89999:98 358.79999:281 359.70001:153 372.70001:25 442.70001:71 444.70001:49 445.89999:33 25885.33 196 14523.56 23940.45 249.2222 13251.89 27280 25124.45 24562.67 23900.45 25823.11 17097.11 24169.78 27636.45 20181.33 176.7778 41854.96256 35841.0228 35482.87466 25299.10463 1300 17.7 668901.94 73 galactitol 0.972 11.151 669079 FBPFZTCFMRRESA-UNTFVMJOSA-N 340 FALSE FALSE FALSE FALSE 89.8 0 99.8 83.1 72.6 90.8 98.8 288.11 42690_T-A22 51:1864 52:1400 53:17690 54:20636 55:225029 56:43803 57:134264 58:22444 59:128422 60:8640 61:9485 62:471 62.8:519 63.8:182 65:3545 66:4628 67:28853 69:121010 70:25085 71:54394 72.1:58609 73:2662125 74:980899 75:297292 76:14574 77:6208 78:1067 79:8607 80:2777 81:22311 82:9236 83:69326 84:12236 85:31505 87:185497 88:50140 89:58883 90:5984 91:3833 92:443 93:5893 95:13448 96:6287 97:51362 99:12662 99.9:5893 101:80298 103:623308 104:60596 105:33230 105.9:2538 107:4218 108:893 108.9:6325 110:3112 111:19521 112:6092 113:15082 114:5600 115:26194 116:23032 116.9:251830 117.9:26274 118.9:21564 119.9:1868 121:4456 121.9:779 123:2935 123.9:1588 125:3132 126:2664 127:6969 129:144715 130:24050 130.89999:61337 131.89999:10968 132.89999:149631 133.89999:20439 134.89999:16148 135.8:1714 136.89999:1478 138:1236 139:4036 141:4887 142:6058 143:137154 144:13933 145:10508 147:879928 148:141687 149:89676 149.89999:9848 150.89999:4754 151.89999:1246 153:3282 153.89999:1493 155:7053 156:3167 156.89999:76322 158:12095 159:10457 160:60384 161:21368 162:5540 163:16805 163.89999:2657 164.8:1662 165.89999:705 166.89999:2111 168:1946 168.89999:5773 170:1351 171:31667 172:5410 172.89999:5458 173.89999:2379 174.89999:23915 175.89999:4074 177:11620 177.8:1806 178.89999:1468 179.89999:449 180.89999:954 181.89999:488 182.89999:10921 183.89999:2235 185:30809 186:4986 187:2379 188.89999:128255 190:33284 190.89999:107120 192:19462 192.89999:9536 194:2340 194.89999:1094 196.10001:1715 196.89999:582 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292.89999:10420 293.89999:2660 294.89999:988 295.60001:250 297.70001:140 298.79999:227 299.79999:276 301.89999:468 302.89999:2180 305:63613 306:32160 307:210506 308:62081 309:29950 309.89999:5902 311:1582 311.79999:253 312.79999:801 313.89999:4720 314.89999:1416 315.89999:1108 317:3801 319:783145 320:242643 321:120930 322:25495 322.89999:6337 324:843 324.89999:46 329:3851 330.89999:41580 332:14408 332.89999:145484 333.89999:42126 334.89999:20799 335.89999:2748 338.10001:194 338.79999:134 339.70001:57 342.79999:252 345:39301 345.89999:13610 347:7164 347.89999:2018 348.89999:1058 350:345 351:804 351.79999:350 352.79999:325 353.89999:99 354.79999:27 355.60001:338 356.60001:130 358.60001:187 361.70001:410 365:3974 365.89999:2145 366.89999:1042 367.89999:492 368.79999:181 369.79999:178 376.70001:383 378.89999:1021 379.79999:570 380.89999:460 388.89999:674 391.89999:397 392.89999:5050 393.89999:2244 394.89999:1158 395.79999:357 396.70001:99 403.89999:320 404.89999:986 405.89999:1047 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57:680 58:1032 59:5247 60:669 60.9:2036 61.8:263 62.9:20 65:208 65.9:417 66.9:1058 67.9:3550 69:4820 70:1479 71.9:3134 73:186791 74:16272 75:23131 76:1096 76.9:844 78:107 78.9:403 80.9:1992 82:926 83:2527 84:2458 85:181 86:425 86.9:501 87.8:472 88.9:559 89.8:43 90.9:773 92.9:231 93.9:336 94.9:647 96:674 97:651 98:2476 99:1508 99.9:1744 100.9:2766 101.9:1005 102.9:8390 104:438 105:469 105.7:190 107:145 107.8:158 108.9:1041 110:435 111:1785 112:1990 112.9:486 113.9:600 114.9:1948 115.9:2482 116.9:2884 117.9:1550 118.9:1727 119.8:280 120.9:491 122:18 123:779 123.9:129 125:200 125.9:148 126.9:745 128:822 128.89999:38321 129.89999:4408 130.89999:7778 131.89999:1497 132.89999:16221 133.8:2000 134.89999:2286 135.89999:314 137:438 137.8:160 138.89999:336 139.8:469 141.89999:3800 142.89999:4795 143.89999:1011 144.89999:2010 146:523 146.89999:58470 147.89999:9229 148.89999:10020 149.89999:1264 150.8:945 151.89999:410 152.89999:986 154:313 154.89999:1412 155.89999:8691 156.89999:7944 157.89999:3703 158.89999:1037 160.89999:1026 161.89999:10 162.89999:910 163.8:313 164.8:611 166:542 167:189 167.89999:415 168.89999:408 169.8:937 170.89999:464 172.89999:729 173.89999:0 174.89999:1043 175.8:114 176.89999:2138 177.89999:374 178.89999:248 179.89999:105 180.8:267 181.8:92 182.89999:952 183.8:581 184.89999:1476 185.89999:415 186.89999:829 187.89999:556 188.89999:5007 189.89999:6293 190.89999:22453 191.89999:4342 192.89999:5180 193.8:750 194.8:410 195.89999:199 197.8:407 198.89999:513 199.8:162 200.8:719 201.89999:257 202.89999:7574 203.89999:23267 204.89999:7564 205.89999:3049 206.89999:2463 207.8:509 208.8:230 209.8:173 210.89999:150 211.89999:240 213:2009 214:225 214:225 214.8:945 215.89999:129 216.89999:79905 217.89999:17310 218.89999:10273 220:1302 220.89999:3517 221.89999:780 222.89999:538 223.89999:23 224.7:59 225.89999:20 226.89999:511 227.7:20 229:410 229.89999:2836 230.89999:6215 231.89999:2639 232.89999:5199 233.89999:913 234.89999:208 235.8:89 236.89999:111 238.8:336 240.89999:8551 241.89999:2340 242.89999:7603 243.89999:2349 244.89999:2052 245.89999:17054 246.89999:3785 247.8:1429 248.7:271 249.89999:13 250.8:149 251.8:82 252.7:112 253.8:33 254.89999:1603 255.89999:5044 257:1648 257.79999:676 258.89999:348 259.89999:61 260.79999:117 261.79999:329 262.79999:347 264.89999:5085 265.89999:1345 266.89999:8 269.10001:146 269.89999:5076 270.89999:5832 272:1690 272.79999:1107 273.89999:272 274.70001:164 277.89999:101 279.89999:120 280.70001:77 281.79999:101 282.5:107 282.5:150 283.79999:216 284.89999:106 285.89999:13 286.89999:241 287.79999:508 289.10001:165 289.89999:167 290.89999:3580 292:1064 292.79999:1947 293.79999:309 294.89999:283 297:117 297:133 298.89999:28 299.60001:80 300.70001:96 301.79999:111 303:5242 303.89999:1940 304.89999:15628 305.89999:6583 306.89999:2555 307.89999:962 308.79999:305 309.70001:146 310.89999:30 312.79999:19 313.79999:48 315:165 315.79999:26 316.89999:4818 317.89999:25112 318.89999:7636 319.89999:3814 320.89999:1114 321.79999:297 322.89999:78 326.79999:312 328.10001:144 328.79999:57 329.39999:45 330.89999:1193 331.89999:1893 332.79999:911 333.79999:399 335:66 335.70001:46 337.70001:61 339:281 340.5:153 341.79999:150 342.79999:580 344.89999:4876 345.89999:1668 346.89999:1096 347.70001:304 354.79999:1 356.79999:128 358:130 358.89999:3988 360:3185 360.79999:1756 361.79999:716 362.70001:233 363.79999:1 365.89999:68 366.79999:1921 367.79999:746 369:415 369.79999:64 370.60001:76 373:742 374.89999:153 375.79999:67 377:209 377.79999:488 378.79999:443 379.89999:215 380.79999:225 381.79999:98 390.70001:70 392.89999:214 394:128 404.60001:376 404.60001:447 405.89999:209 414.79999:1290 415.89999:598 416.89999:279 418.89999:167 419.89999:298 420.89999:265 428.79999:99 429.79999:398 431.79999:122 432.89999:585 433.70001:392 435:1210 435.79999:674 436.89999:290 449.70001:133 506.89999:148 524.79999:490 525.79999:256 526.59998:104 7747.222 2350.889 2347.444 4093.222 1811.222 2800.889 3583.889 4413.667 2530.667 12103.78 3284.333 2003.444 3685.222 6370.778 2940.778 1225.222 14590.19602 17933.81657 20453.2671 32947.19395 1232 17.212 649614.44 305.9435 galactose 0.472 10.789 647344 WQZGKKKJIJFFOK-PHYPRBDBSA-N 440 FALSE FALSE FALSE FALSE 72 0 73.9 70.6 53.7 87.7 87.2 612.89 42690_T-A22 53:5539 54:2084 55:10655 56:829 58:11802 59:35583 60:3626 61:3367 63.9:95 66:1543 66.9:2316 68:0 69:4589 70:2988 71:4223 72.1:35933 73:1433612 74:123266 75:39309 76:3722 81:2674 81.9:0 83:2397 84:1185 85:3381 88:1545 89:16448 96:1 97.9:1 98.9:4828 99.9:283 101:23935 103:461411 104:41277 104.9:16438 108.9:827 110.1:0 110.9:1821 112.9:5072 114:0 115:5150 116:6415 116.9:111085 117.9:8153 118.9:9810 119.9:939 120.9:524 123.9:253 125:623 126.9:3252 128:3582 128.89999:102631 130:5449 130.89999:29353 132:2391 132.89999:91903 133.89999:12866 134.89999:6137 136.8:402 137.8:0 138.8:437 139.89999:89 141:3776 141.89999:1 142.89999:44439 143.89999:4629 144.89999:3063 146.89999:388149 148:59807 148.89999:40087 150:4058 150.89999:3822 151.89999:127 152.89999:1 153.89999:1 154.89999:4357 156:722 156.89999:39361 157.89999:0 158.89999:4732 159.89999:1 160.89999:1 161.89999:0 167.89999:0 169:13985 170.89999:1416 172.89999:0 174.89999:9579 176.89999:3713 177.8:1085 182.89999:2225 183.89999:266 184.89999:1340 185.89999:0 186.89999:2621 188.89999:44297 189.89999:23361 190.89999:74538 191.89999:13319 192.89999:8099 193.8:1122 194.8:230 195.89999:235 196.89999:0 197.89999:1 198.89999:623 199.89999:964 200.89999:2349 202:122 202.89999:1512 204:65504 205:293296 206:55455 206.89999:31236 208.89999:880 211.8:1 212.89999:402 213.89999:610 215:4710 216.89999:268986 218:62283 218.89999:24760 219.89999:3041 220.89999:11833 221.89999:2676 222.89999:1807 224:219 224.8:123 225.8:0 227:1485 228:767 228.89999:26402 229.89999:0 231:23597 232:5892 233:10159 233.89999:4058 234.8:1329 235.89999:261 238.8:882 239.8:1 240.8:1 241.89999:338 242.89999:11605 243.89999:2406 244.89999:7746 246:1 246.89999:1757 248.8:259 253.8:0 254.89999:4947 255.89999:1010 256.89999:8685 257.89999:1 258.89999:462 259.89999:0 260.89999:1 262:0 264.89999:1069 265.89999:341 267:56 267.79999:0 269:1 270.89999:7713 271.89999:2050 272.89999:1161 274.89999:1 277:29892 278:10133 278.89999:5454 279.89999:1106 281:368 284:161 284:230 284.79999:619 285.89999:187 286.70001:144 287.79999:60 288.89999:762 290.89999:38283 291.89999:10619 293:7865 293.89999:1856 294.70001:271 294.70001:271 295.79999:243 296.70001:233 297.79999:98 298.79999:185 299.89999:1 300.79999:1 301.79999:0 303:7775 305:58045 306:461544 307:183392 308:76875 309:19911 310:2102 310.89999:530 312:654 314.89999:213 316.89999:7260 319:203455 320:59203 320.89999:30246 321.89999:6153 322.89999:1537 323.89999:167 327.89999:0 328.79999:1 330.89999:3509 331.89999:1412 333:1017 334:941 334.89999:3739 335.89999:4833 336.89999:1578 337.89999:710 341.79999:1 342.89999:1 344.89999:28278 345.89999:9261 346.89999:23463 348:6326 348.89999:2685 349.79999:412 350.70001:1 351.79999:113 355.79999:400 356.79999:376 357.79999:1 358.89999:37 359.89999:739 361:1 361.79999:301 363:319 363.89999:0 364.79999:1 366:1 366.79999:0 367.70001:97 368.60001:177 373.89999:1 374.60001:0 375.79999:0 376.60001:0 377.79999:1 378.60001:382 379.89999:191 380.89999:216 387:42 390.70001:1 391.79999:0 393:2556 394:757 394.79999:490 395.89999:224 396.79999:46 404.89999:964 405.89999:475 406.89999:671 407.89999:732 408.89999:690 409.79999:364 409.79999:360 418.70001:191 419.79999:116 420.79999:224 422:122 427.89999:1 428.60001:0 431.89999:476 433:424 435:11262 435.89999:4928 436.89999:0 438.89999:0 439.89999:0 442.70001:62 446:537 447.79999:223 448.89999:177 449.89999:258 452:70 464.89999:27 465.89999:1 466.89999:1 506.89999:169 525:338 525.79999:204 526.70001:55 7715.222 30770.67 23271.11 44233.22 46152 6162.889 6847.667 85810.22 7616.222 7530.333 8880.111 6407.889 6432.444 8785.777 6357.889 6539 102108.6779 82573.13761 122429.0158 132239.1816 1327 18.002 680938.31 146.925 galacturonic acid 1 11.304 678231 AEMOLEFTQBMNLQ-DTEWXJGMSA-N 440 FALSE FALSE FALSE FALSE 75.9 0 83.9 70.7 60 75.9 92.4 63.9 84706_C-D145 51:243 54:538 55:3969 56:2050 57:12844 59:1259 61:640 62.1:343 62.9:85 64.8:1 66:442 67:1070 69:1336 70:2497 71:10005 72:312 73:119719 74:10537 75:2924 75.9:0 77:426 79:257 79.8:220 83:1958 85:4160 86:921 89:1486 89.8:101 92.9:112 93.9:64 97:1430 98:137 99:2615 100.9:1040 101.9:1084 103:12934 104:1510 104.9:528 105.8:122 106.9:13 109.9:242 111:1130 112.1:584 113:1873 114:165 114.9:791 115.9:393 117:3216 117.9:501 118.9:727 120.8:1 122:37 123.9:153 125.1:1674 126:917 127.1:692 127.9:388 129:3447 129.89999:1021 130.89999:1288 131.89999:283 133:6290 133.89999:307 134.89999:523 136:15 136.89999:157 138.89999:297 141:1391 141.89999:350 142.89999:2032 143.8:223 144.8:609 147:37099 147.89999:6130 148.89999:1178 149.89999:1 151:294 154:441 155:1206 156.89999:753 157.89999:240 158.8:65 160:28 160.89999:441 162:391 162.8:274 164.7:210 165.89999:170 166.89999:325 168:389 169:431 169.89999:241 170.89999:265 174:1724 174.89999:826 175.89999:215 176.7:363 177.7:85 180.89999:86 183:224 183.89999:333 185.60001:0 186.89999:1 188.89999:3795 189.89999:1391 190.8:2094 192:561 192.8:482 194.8:33 200.89999:155 201.8:0 202.8:509 203.89999:7452 205:13133 206:3711 206.89999:1084 207.89999:212 208.7:111 210.89999:185 213.89999:71 214.8:186 217:9043 218:2516 218.89999:2113 219.89999:588 220.89999:2647 221.89999:334 222.8:165 223.89999:48 224.89999:217 226.8:155 229:1734 229.89999:613 230.89999:443 231.8:545 232.89999:234 234.89999:118 240.89999:396 242:334 242.8:169 244.8:548 245.8:244 246.89999:219 247.7:58 254.89999:121 255.7:115 258.79999:85 263:237 264.79999:329 265.89999:160 266.70001:182 267.89999:104 268.89999:117 271.79999:51 272.89999:152 273.79999:99 277:2373 277.89999:846 278.79999:317 284.5:161 285.89999:213 286.79999:119 287.70001:178 291:2419 292:19159 293:5141 293.89999:2371 294.89999:829 295.89999:76 296.79999:71 302:156 302.70001:143 303.89999:124 304.89999:7638 305.89999:2426 307:2562 307.89999:438 309:450 309.89999:179 314.89999:226 315.79999:61 316.70001:419 317.89999:488 319:15344 320:3480 320.89999:1833 321.79999:570 322.89999:288 323.89999:67 326.79999:198 330.89999:689 331.79999:709 332.89999:19289 333.89999:6030 334.89999:2905 336:731 336.89999:208 344.10001:94 344.89999:831 345.60001:229 347:214 355.70001:224 358.89999:2332 360:890 361.70001:270 365.79999:188 369.79999:68 378.60001:464 380.79999:124 386:848 387.20001:330 388.60001:332 388.60001:276 392.70001:352 394.89999:206 395.89999:97 400.60001:99 404.89999:249 405.89999:231 406.89999:104 407.70001:280 420.89999:169 422.89999:2128 423.89999:678 424.70001:456 432.89999:2032 433.79999:574 434.89999:1589 435.89999:386 436.79999:270 447.89999:269 449.89999:53 451:27 451:27 504.60001:25 522.90002:86 44559 60356.33 18304.33 37073.55 34411.22 19437.33 33412.11 41212.22 36361.11 23363.45 47847.11 24691.22 46120.89 37083.67 39841.78 36267 98285.02693 83366.39809 72534.25184 69955.46232 1600 21.75 831802.12 216.9 glucoheptulose 0.819 13.81 828606 HSNZZMHEPUFJNZ-SHUUEZRQSA-N 440 FALSE FALSE FALSE FALSE 77.1 null 72.1 80.5 76.5 82.3 88.6 8.97 38057_C-B22 52:77 58:0 58.9:0 62.9:50 63.7:60 71.9:30 73:28521 74:2067 84:94 87:142 87.9:116 88.9:1328 89.8:208 99.9:485 100.9:500 101.9:126 103:7331 103.9:464 104.8:1 114:259 115:165 115.9:0 116.9:0 118.8:1 127.9:20 128.89999:104 129.89999:131 131.8:0 132.89999:1593 133.8:271 135:52 138.89999:7 141.89999:259 142.8:273 146.89999:7422 147.89999:1375 148.8:397 149.89999:0 156.8:173 157.8:101 158.8:53 161.89999:49 163:225 167.89999:83 168.89999:221 169.8:205 171.8:545 172.8:402 173.89999:467 174.89999:258 176:1 178.89999:86 181.8:7 183.89999:207 184.89999:170 185.89999:51 187.8:251 188.8:826 189.60001:302 189.60001:377 190.89999:4214 191.89999:510 192.89999:183 193.7:77 196.89999:1 197.8:82 200:113 200.89999:176 201.8:267 202.8:35 204:1385 204.89999:4171 206:747 206.89999:220 208.7:159 209.89999:63 214.7:123 216.89999:5771 217.89999:917 218.89999:595 219.8:104 220.8:239 225.89999:129 226.8:11 227.7:9 229:191 229.8:122 230.89999:64 232:46 232.8:88 234.60001:0 235.8:39 236.8:68 241.60001:97 242.89999:143 243.7:1 244.8:145 245.8:134 248.7:37 253.89999:73 254.8:3 255.89999:19 256.79999:126 258.89999:913 259.79999:245 260.70001:168 261.89999:2763 262.79999:774 263.79999:300 264.89999:106 265.60001:36 268.79999:76 270.89999:1574 271.79999:288 272.60001:159 273.60001:135 274.89999:127 276.89999:535 277.79999:239 278.79999:25 282:79 282:55 284.79999:70 285.70001:54 288.79999:4 289.70001:129 290.79999:633 291.89999:31 292.89999:249 294.70001:43 296.79999:157 297.79999:14 298.79999:23 299.79999:136 302.70001:129 304.89999:1159 306:540 306.89999:3461 307.89999:973 308.70001:468 310.10001:32 312.89999:90 313.79999:302 314.89999:129 318.89999:1872 319.89999:727 320.89999:407 321.79999:164 324.89999:224 325.79999:57 327.79999:6 329:20 329:118 330.89999:2283 331.79999:1102 332.79999:810 333.89999:335 335.70001:154 340.89999:53 341.60001:88 351.79999:42 355.70001:114 356.89999:8 357.89999:40 357.89999:38 358.79999:48 360.89999:28 362.70001:56 363.89999:170 375.89999:590 376.60001:328 377.70001:48 403.79999:47 405.89999:108 408:39 414.5:161 420.89999:1559 421.79999:626 422.60001:400 465.79999:210 568.09998:100 157262.1 14826.33 866.7778 102.8889 134.3333 4866.111 1120 2152.778 3380.444 136826.1 1472.444 8526 445.5555 109351.3 153.7778 131.3333 28869.82752 17986.54235 43343.5468 31251.79311 1357 18.293 692596.56 318.9733 gluconic acid 1 11.552 693148 RGHNJXZEOKUKBD-QTBDOELSSA-N 340 FALSE FALSE FALSE FALSE 86.9 0 99.9 78.3 70.6 86.1 85.7 17.08 42786_T-A13 52:105 53:605 53.9:195 55:1906 56:359 57:3306 58:870 58.9:2102 59.9:181 60.9:654 61.8:5 65.9:452 67:83 69:2825 70:195 71:3044 72:1319 73:85273 74:7338 74.9:4290 76:368 78.9:392 80.9:588 83.1:793 84:1640 85:2278 85.9:432 86.9:90 87.8:422 88.9:800 89.8:221 91.8:46 92.8:441 94.9:139 97:298 98:90 98.9:1307 100.9:483 101.9:972 103:9287 103.9:1129 104.8:214 106.1:87 110.9:524 111.9:302 112.9:559 113.9:38 116.9:5174 117.9:205 118.8:302 119.9:1 120.8:160 121.9:14 125:421 126:611 126.9:693 127.9:275 128.89999:2984 129.89999:184 130.89999:2784 131.89999:36 132.89999:5632 133.89999:766 134.89999:274 136.8:48 138.89999:11 139.89999:174 140.89999:341 142:422 143:1927 143.89999:7 146.89999:23001 147.89999:3411 148.89999:2937 151.89999:97 152.89999:262 154.89999:597 155.89999:157 156.89999:910 162:112 162.89999:561 163.7:27 164.89999:97 166.89999:157 168:31 168.89999:641 169.89999:206 174.89999:318 175.8:74 176.89999:291 179.8:19 182.8:359 183.8:222 184.89999:102 185.89999:6 188.89999:2229 190:432 191:2500 191.89999:630 193:352 193.89999:1 194.8:21 195.89999:246 196.89999:214 197.89999:22 198.89999:445 200:169 200.89999:47 202.89999:665 203.89999:2846 204.89999:13707 206:2526 206.8:2061 207.89999:320 208.8:134 209.8:50 210.7:14 211.89999:33 213.89999:52 214.89999:216 216.89999:10514 217.89999:4396 218.89999:2278 219.89999:414 220.8:906 221.60001:269 222.8:164 224.89999:1 225.8:153 226.7:0 227.8:0 228.8:1015 229.89999:482 230.8:487 231.89999:1151 232.89999:209 233.7:219 237.7:35 238.7:1 239.8:134 240.89999:1 241.8:248 242.89999:28 243.89999:135 244.8:86 245.89999:812 248:1 248.8:1 250.8:69 253.89999:12 254.8:39 255.89999:120 257.79999:16 259.79999:1 264.70001:197 265.89999:86 267.70001:2 268.89999:74 270:29 270.70001:128 271.70001:76 272.70001:209 273.79999:85 275.89999:72 276.89999:1348 277.79999:500 278.79999:307 279.79999:40 280.79999:201 282:41 286.70001:27 288:51 288.79999:118 290.89999:1253 292:9347 292.89999:464 293.89999:1022 295:334 295.79999:132 303.89999:299 304.89999:3059 305.89999:937 306.89999:1262 307.79999:439 309:287 310.79999:14 313.70001:16 314.79999:247 315.89999:110 317:33 319:10135 320:3553 320.89999:1722 321.89999:481 322.79999:216 324.79999:53 326.89999:133 331:795 331.89999:269 332.89999:2489 333.79999:1033 334.70001:512 335.70001:179 336.89999:294 337.70001:46 338.5:22 341.79999:5 343.79999:148 344.89999:614 345.79999:339 346.60001:72 347.89999:68 354.89999:77 356.60001:151 358.89999:1020 359.70001:373 360.70001:333 362.10001:108 368.89999:15 371.89999:129 372.79999:45 377.79999:207 378.60001:166 383:119 387.79999:28 388.70001:269 389.79999:139 390.79999:75 392.89999:1 394:123 394.79999:114 395.70001:46 402.70001:61 404.70001:296 405.79999:183 406.79999:105 407.89999:67 419.89999:193 421:324 421.70001:119 423:316 423.79999:155 432.89999:659 433.60001:326 435:459 436:163 437:201 446.79999:242 447.79999:106 448.79999:229 464.89999:12 488.79999:107 538.79999:768 540:318 540.79999:222 541.90002:50 24300 22629.33 18155.11 31186.45 21837.45 16957.78 15199.89 31449.89 25887.89 19644.11 31126 17553.11 22769.33 14978.33 24608.55 28786.67 18120.78658 15791.50661 15265.24808 8186.740084 1361 18.343 694629.25 73 gluconic acid 1 11.552 693148 RGHNJXZEOKUKBD-QTBDOELSSA-N 340 FALSE FALSE FALSE FALSE 88.5 0 95.2 84 77.4 90.5 90.5 14.52 42727_T-D145 53:145 54:164 55:914 56:55 57:5103 58:468 59:2647 64.9:149 65.9:310 66.9:177 68:314 69:2435 71:6500 72:2169 73:118919 74:9573 75:4083 75.9:114 81:526 83:109 85:3871 88.9:2342 90:222 90.9:22 91.6:28 94:20 97:380 98:84 99:1934 101:97 102:498 103:13293 103.8:1218 105:461 106:44 107:91 109:155 110:49 111:460 112:235 114.9:254 115.9:695 116.9:4601 117.9:390 118.9:508 120:8 122:159 122.8:27 124:1 124.9:600 126:478 126.9:574 127.9:226 128.89999:4549 129.89999:326 131:2444 131.89999:149 132.89999:10484 133.89999:1354 134.89999:611 137.10001:53 137.89999:46 139.89999:116 141:462 141.89999:278 142.89999:1723 144.89999:277 146.89999:37755 148:6367 149:3357 149.89999:499 150.89999:77 151.89999:95 153.10001:287 155:610 155.89999:21 157:222 158.89999:4046 159.8:520 160.89999:311 161.8:23 162.89999:1034 164:266 164.8:41 167:70 169:355 170.89999:167 172.8:136 174.89999:472 175.89999:4 176.89999:542 177.89999:142 178.89999:1 179.89999:133 181.10001:30 182.8:184 183.89999:219 185.89999:2 188.89999:3631 189.89999:1205 191:5874 191.8:1072 192.89999:585 193.89999:60 197:108 197.8:158 203:434 204:6761 204.89999:12626 206:2807 206.89999:3953 207.89999:879 208.89999:269 210.8:351 211.89999:71 212.8:83 214.89999:149 217:18148 217.89999:3563 218.89999:2615 219.89999:806 220.89999:4573 222:1252 222.89999:660 224:151 224.7:154 225.8:101 227:279 227.89999:9 228.8:1066 230:496 230.89999:599 231.8:97 232.89999:461 233.89999:277 234.89999:197 235.7:146 238.8:125 240.10001:10 241:112 242.8:345 244.8:659 245.8:213 247:1455 248:403 248.7:250 249.8:39 255:198 255.8:32 256.79999:33 259.89999:1560 260.89999:747 261.79999:246 262.79999:172 264.79999:960 265.89999:317 266.70001:62 268.89999:236 269.79999:90 270.79999:144 272.70001:4 276.89999:2906 277.89999:913 278.70001:489 279.89999:105 280.70001:627 281.70001:119 283:222 286.70001:20 287.89999:36 291:1639 291.89999:13783 293:2886 294:1456 294.89999:1363 295.89999:372 296.79999:41 298:105 298.79999:694 299.79999:99 300.70001:27 301.89999:259 302.79999:122 304.89999:10329 305.89999:3004 306.89999:3133 307.89999:631 308.60001:407 313.89999:51 315:396 315.89999:31 317:362 318:2491 318.89999:7562 319.89999:2804 320.89999:1666 321.79999:702 322.89999:108 324.89999:183 326.39999:50 330.89999:1005 332.89999:12829 333.89999:4173 334.89999:2123 335.79999:581 336.60001:181 340.89999:55 341.5:83 342.70001:316 343.79999:121 344.79999:621 345.89999:94 345.89999:192 354.5:328 355.10001:272 355.10001:170 358.89999:1449 359.89999:403 361:456 362.79999:147 367:419 367.89999:77 369:543 369:543 369.79999:304 377.89999:53 378.79999:314 388.89999:128 391.89999:86 392.89999:621 393.79999:290 393.79999:352 394.79999:192 400.70001:102 404.89999:406 405.89999:114 406.79999:304 414.60001:55 419:109 421:440 423:1899 423.89999:804 425:393 425.89999:43 428.79999:11 431.79999:238 432.89999:1460 434:709 434.89999:1613 435.79999:703 436.60001:217 449:294 450.60001:11 115598.6 47449.78 50293.78 133048.1 69809.55 74703.11 124484.2 91741.34 70962.22 146428.1 137156.1 57546.33 216165.2 239435.3 96068.11 106389 164439.3092 173705.0173 88921.08488 127640.0692 1278 17.501 660916.62 319 glucose 0.944 10.997 659798 WQZGKKKJIJFFOK-VFUOTHLCSA-N 340 FALSE FALSE FALSE FALSE 91 0 95.1 88.3 85.9 87.3 97.1 113.69 43462_C-A13 51:1017 53:9977 54:6045 55:32859 56:5480 57:12168 58:25315 59:94353 60:12221 61:14784 62:719 64:260 65:1586 65.9:2307 67:1234 68:485 69:10365 70:13550 71:15404 74:371591 75:302173 76:15390 77:9206 77.9:286 79:1340 79.9:1550 81:1831 82:1282 83:14582 84:5125 85:14722 87:17567 88:8565 89:308780 90:26732 91:14101 92:907 93:619 93.8:1146 96:9173 97:10626 98:5603 99:17488 100:72003 101:78676 102:48608 103:1124063 104:110465 105:88313 106:9078 106.9:2740 108:450 109.9:1509 110.9:6120 113:18770 114:22746 115:16496 116:32792 117:399323 118:40627 118.9:49846 120:4678 120.9:2837 121.9:0 123.9:126 124.9:2180 126:2586 127:16127 129:266587 130:58277 131:132623 132:24975 132.89999:435929 133.89999:56192 134.89999:31186 135.89999:2852 136.89999:1189 137.89999:1577 139:1147 140.89999:6696 141.89999:11595 142.89999:54041 144:8572 144.89999:21534 147:1603491 148:252170 148.89999:151744 150:16037 150.89999:6992 151.89999:711 155:6174 156.89999:195145 158:35367 160:999616 161:181914 162:51759 162.89999:61649 163.89999:9720 164.89999:5438 166.8:955 167.89999:3135 168.89999:20232 169.89999:6328 172:25250 172.89999:28361 174.89999:33372 176.89999:46034 177.89999:9632 178.89999:5086 179.89999:3104 180.8:947 181.89999:4144 182.89999:1574 186:30106 186.89999:11333 188:13888 188.89999:208403 189.89999:61218 190.89999:97162 192:17954 192.89999:10017 194:2359 195.89999:5163 196.89999:1126 197.89999:927 198.8:1122 199.89999:3162 201:23878 201.89999:9064 202.89999:28074 204:238677 205:1879547 206:367925 207:186084 207.89999:25407 208.89999:7439 209.89999:6852 210.89999:952 211.8:1134 212.89999:1177 213.89999:21739 214.89999:13341 217:665716 218:141618 219:66529 220:14817 220.89999:54059 221.89999:12122 222.89999:6347 223.8:1367 227.10001:629 228.89999:187597 229.89999:58626 230.89999:45660 231.89999:15109 233:108082 234:35528 235:78857 236:15501 236.89999:7986 238.89999:590 239.89999:4773 240.89999:2847 241.89999:19617 242.89999:18642 243.89999:19105 244.89999:15575 246:16100 246.89999:13728 247.89999:4656 248.89999:2984 249.8:639 250.89999:1297 252.89999:650 254.89999:883 257.89999:1969 259:8320 260:5456 260.89999:3874 261.89999:11778 263:4293 263.79999:1842 264.89999:9184 265.89999:1742 266.79999:1079 267.89999:29543 268.89999:13496 270:17527 271:4804 272:1548 273:19561 274:28028 275:10787 276:5921 277:86036 278:31604 279:14982 280:3544 281:285 281.79999:779 283.89999:2991 285:1464 286:1767 286.79999:355 286.79999:355 287.89999:2546 288.89999:2179 290.89999:118368 291.89999:34903 292.89999:18737 293.89999:4134 294.89999:1343 296:353 297.5:380 299:26 299.89999:21618 300.89999:5719 302:8283 303:4853 304:8682 305:64808 306:31387 307:97717 308:27837 308.89999:16093 309.89999:3690 310.89999:1459 313.79999:1185 315:1198 315.89999:3072 319:2131772 320:646513 321:310380 322:63226 323:17201 324:2566 324.79999:708 325.79999:296 326.79999:333 328:4432 328.89999:644 329.79999:2615 330.89999:9128 331.89999:6374 332.89999:5757 333.89999:3948 334.89999:2238 337:24361 338:6916 338.89999:3615 339.89999:946 340.79999:203 341.89999:7595 342.89999:4474 343.89999:4870 344.89999:1711 345.89999:1111 346.89999:12079 347.89999:4450 349:4687 349.79999:2303 350.89999:1468 352.10001:520 352.79999:253 353.70001:105 355.79999:225 357:440 358:4119 359:1352 360.79999:573 363:2955 364:6969 365:13156 365.89999:4267 367:1877 367.79999:424 368.79999:292 373.89999:8602 376:22728 376.89999:7175 377.89999:3757 379:3402 379.89999:1218 380.89999:1525 382:489 382.60001:419 382.60001:341 386.79999:957 388.89999:2688 390:3875 390.89999:1725 391.79999:1068 392.89999:1385 393.79999:957 394.79999:480 395.79999:212 401.89999:2802 402.79999:1053 403.89999:853 405:3152 405.89999:1819 407:1164 408:669 409.89999:332 410.89999:23 415.70001:133 417.60001:157 419.70001:62 421:280 422:921 422.70001:312 432:1369 432.79999:891 435.89999:337 437:1232 437.79999:47 438.70001:198 448:2868 448.89999:1518 449.89999:825 450.89999:351 464:6966 465:2706 466.10001:2676 467:878 467.89999:28 479:799 480:5889 480.89999:2546 482:591 482.79999:339 494.89999:131 522.29999:263 522.90002:623 524.20001:301 524.20001:252 538.09998:356 539:308 554:172 5978021 5404321 3869278 5600728 5508966 6055431 6424111 5953013 6284274 4680125 6198765 4897974 6265819 4954715 6337218 6393976 4059789.576 4129506.578 2264831.829 2060182.386 1575 21.271 812497.69 386.8842 glucose-6-phosphate 0.833 13.546 812757 NBSCHQHZLSJFNQ-VFUOTHLCSA-N 340 FALSE FALSE FALSE FALSE 85.5 null 98 77.2 72.4 84.7 76.5 12.44 37991_C-A22 51.9:284 59:3787 60.8:535 63:119 63.7:26 66:175 70:5721 73:49530 74:4146 75:728 75.9:1102 76.9:642 78.9:121 81:572 82:150 84:90 86.9:1161 88:320 88.9:2884 89.9:624 91:656 91.9:215 92.9:536 93.9:300 95:386 98:907 100:2088 100.9:2452 102:1099 103:3035 104:1081 104.9:1782 105.9:638 106.8:170 107.9:65 108.9:50 113.9:591 114.9:604 115.9:2667 117.9:810 119:1062 119.9:84 121.8:212 122.9:59 128:1410 128.89999:3651 129.89999:1699 130.89999:2523 131.89999:623 132.89999:2521 133.89999:1103 134.89999:1031 136:411 136.89999:314 139:74 140.89999:690 141.89999:472 142.89999:1203 143.89999:1149 144.89999:201 146.89999:15205 147.89999:1656 148.89999:1883 150.89999:143 156.89999:3284 158:762 158.89999:876 159.89999:7742 160.89999:1554 161.89999:466 162.89999:680 164.89999:210 166.89999:126 167.89999:151 168.89999:524 171.89999:1423 172.89999:646 174.89999:660 175.89999:465 176.89999:455 177.8:55 178.89999:475 179.89999:477 180.8:577 181.89999:165 188:1510 188.89999:988 190:128 190.89999:1655 191.89999:607 192.89999:687 193.8:236 194.89999:338 199.89999:772 200.89999:959 202:390 203:1899 205:2536 206:562 206.89999:851 207.89999:102 208.89999:98 210.8:2089 211.8:609 213.89999:843 214.8:301 215.89999:2718 216.89999:10954 217.89999:2995 219:4119 219.89999:1015 220.89999:391 222:6 222.8:81 224.8:1288 225.8:47 226.89999:2145 227.8:354 230:1737 230.8:1038 231.89999:287 233:328 233.89999:313 235:255 239:509 239.8:83 240.89999:255 242.89999:558 243.89999:851 245:153 245.89999:779 246.89999:1123 247.8:481 249.8:205 253.89999:347 255.89999:1292 258.89999:437 262:694 262.79999:389 264.89999:79 267.89999:654 268.89999:351 269.79999:746 270.89999:56 274:1015 274.89999:705 276.89999:846 278:9 280.89999:41 282.89999:512 283.70001:259 284.89999:239 287:642 288:1098 288.89999:61 289.89999:233 290.89999:893 291.70001:689 292.79999:340 296.79999:335 297.89999:465 298.89999:11686 299.89999:3079 300.79999:1158 301.89999:775 303.89999:457 304.89999:354 306.89999:1161 307.89999:296 309:29 309.79999:226 310.89999:45 311.89999:247 312.89999:534 314:947 314.89999:5558 315.89999:1998 317:617 317.89999:663 318.89999:1689 320:587 321:182 322:143 324.79999:68 325.70001:209 327:63 327.79999:736 328.89999:321 329.89999:607 330.89999:1914 331.89999:653 333:1483 334:428 335:399 335.79999:239 339.79999:29 341.60001:419 342.89999:567 343.79999:206 344.89999:289 346:811 347.70001:54 348.89999:27 353.79999:55 356.89999:6291 357.89999:2294 358.89999:1081 359.79999:606 363.89999:401 364.70001:196 368.89999:447 369.89999:293 370.79999:78 372.89999:858 373.79999:312 375.89999:890 376.79999:82 377.70001:231 380.89999:534 381.79999:393 382.89999:283 386.89999:22365 387.89999:7137 388.89999:4532 389.89999:1036 390.89999:299 391.89999:225 392.79999:75 399:296 399.89999:241 401.89999:78 403:560 405:1 406.79999:96 409.10001:50 410.79999:166 411.70001:174 414.79999:195 415.79999:257 417:1347 417.89999:225 418.89999:377 419.70001:174 426.79999:95 427.79999:117 428.79999:292 429.79999:139 430.79999:111 431.79999:310 433.10001:184 435.10001:80 442.89999:193 444.60001:343 446:17 447.10001:287 447.89999:185 449:76 449.70001:437 456.89999:289 457.89999:184 459:244 459.89999:130 460.70001:386 462:159 462.70001:3 466.70001:28 471:2482 471.89999:820 473:845 473.60001:224 474.89999:902 475.79999:634 477:616 477.79999:395 478.79999:137 486.89999:145 487.70001:95 488.89999:216 489.79999:98 503.10001:162 503.79999:128 508.10001:233 510.10001:98 534.59998:235 535.70001:0 537.09998:65 548.79999:135 560:174 561:2939 562:338 563:476 565.09998:4911 566.09998:2571 567:1708 569:345 576.79999:60 578.90002:144 579.90002:60 592.09998:169 593:172 594:123 1776.667 2068.778 857.8889 2018.556 2802.111 2393.111 2928.889 2067.778 3570.444 1495.778 3869.333 2271.556 2297.111 1070.667 4463.111 2637.778 3103.883053 2012.215684 6360.977472 1071.098959 921 13.211 490420.69 84 glutamate 0.903 8.154 489240 WHUUTDBJXJRKMK-VKHMYHEASA-N 340 FALSE FALSE FALSE FALSE 84.1 0 100 73.5 53.2 90.6 100 148.12 38545_T-A22 51:217 52:123 53:514 54:1615 55:3531 56:143754 57:19148 58:4829 59:0 60:3369 60.9:18426 61.9:1205 63:635 63.9:50 65:167 66:1075 67:407 68:1308 69:14331 70:5957 71:12256 72:17906 73:232546 74:0 75:154026 76:13944 76.9:6749 78:635 79:602 80:37 81:135 82:1376 83:13423 84:381196 85:18614 86:7049 87:1 88:0 89:3358 89.9:461 91:2664 91.9:306 94:264 95:1 96:192 97:1 98:1 98.9:0 99.9:370 100.9:1337 101.9:359 102.9:20955 103.9:2312 104.9:1201 105.9:110 106.8:76 107.9:239 108.9:185 110:1213 111:9180 112:6823 113:2158 113.9:2433 114.9:1 115.9:10834 117:43642 118:5336 118.9:2682 119.9:405 120.9:0 121.9:0 123:116 123.9:745 125:3306 126:3156 127:2181 128:3578 129:2920 130:10539 130.89999:12842 131.89999:5626 132.89999:12356 133.89999:2347 135:742 136:566 136.8:37 137.8:108 139:957 140:7479 141:1840 141.89999:3629 142.89999:1 143.89999:2234 145:5737 146:9686 146.89999:43353 147.89999:6851 148.89999:6331 149.8:758 150.89999:573 151.8:78 153:2741 155:19312 156:12935 157:1310 157.89999:72352 158.89999:11440 159.89999:5173 160.8:952 161.89999:196 163.8:0 164.7:92 165.7:202 167:506 167.89999:94 168.89999:410 171:1 171.89999:0 173:11658 174:235506 174.89999:31482 176:10279 176.89999:1266 178:279 178:279 178.89999:257 179.7:1 180.8:108 181.8:501 183:1 183.89999:35 184.89999:0 185.89999:32115 186.89999:4623 187.89999:1599 188.89999:4444 189.89999:1010 190.89999:2449 191.8:630 192.8:329 194:251 194.89999:146 196:1098 196.89999:200 197.89999:179 198.89999:185 199.8:38 200.89999:4371 202:1386 202.89999:1100 203.89999:3541 205:4250 205.8:1282 206.89999:1889 207.89999:426 208.60001:258 209.8:157 210.7:132 211.60001:1 212.7:1 214:1 214.8:0 216:541 216.89999:9969 217.89999:4592 218.89999:7071 219.89999:1603 220.89999:1678 222:371 222.8:365 224.7:96 225.7:166 226.7:88 229:1062 229.89999:9344 230.89999:11195 231.89999:2018 232.89999:1098 233.7:195 236.89999:363 238.8:68 241.8:494 242.60001:311 243.8:186 244.89999:345 246:390 247.89999:9513 248.8:1988 249.89999:1212 250.89999:756 251.89999:387 253.8:1 254.7:224 256.89999:0 257.89999:2053 258.79999:708 259.79999:272 260.70001:181 263.79999:144 264.70001:215 265.79999:53 266.60001:38 269.79999:153 270.70001:217 272:274 272.79999:293 273.79999:415 275.89999:22785 276.89999:7372 278:2907 278.79999:868 279.79999:147 280.79999:163 282.89999:174 286.79999:335 287.89999:120 288.89999:77 289.70001:112 291:1098 291.79999:524 292.60001:236 294.79999:147 298.79999:122 302.89999:2218 303.70001:388 304.79999:380 305.79999:472 306.89999:5487 307.89999:1750 309:797 309.70001:193 314:325 318.79999:345 320.39999:130 321.10001:250 322:70 322.89999:3944 323.79999:859 324.79999:386 325.70001:60 332.5:55 333.89999:577 334.89999:188 341.20001:205 354.70001:138 366.60001:102 372.79999:280 381.70001:265 391.60001:322 405.79999:15 493740.4 25864.55 10992.89 472529.6 363375 18168 445204.4 661465.4 24645.55 397437.3 723156.4 587130.1 347464.2 303661.1 344441.9 149616.6 322801.3332 288097.535 238701.8658 185337.5083 1003 14.24 531570.12 73 glutamic acid 1 8.818 529100 WHUUTDBJXJRKMK-VKHMYHEASA-N 440 FALSE FALSE FALSE FALSE 83.9 0 87.1 81.8 71.5 90.3 95.6 246.7 42788_T-D145 51:192 52.9:260 54:1070 55:5266 56:14740 57:3693 58:4168 59:12441 59.9:2449 61:4573 61.9:211 62.8:125 66:1203 67:688 67.9:565 70:2686 71:2256 72:8322 73:225430 74:22320 75:52445 76:3571 77:2538 77.9:341 80:419 82:1410 83:749 84:20547 85:3040 85.9:2725 87:1337 87.9:726 89.9:230 90.9:224 91.8:213 94:81 94.9:393 95.9:733 97:1085 97.9:2279 99:2517 100:21184 101:4308 101.9:1420 102.9:2853 104:569 104.8:721 106.1:194 106.9:159 107.9:167 109.8:320 110.9:375 111.9:2570 113:3612 114:4295 115:4861 115.9:1989 116.9:4952 118:939 118.8:1376 119.9:133 120.9:275 121.8:64 123.9:152 124.7:220 125.9:979 127.1:887 128:58578 129:12480 130:5271 130.89999:5221 131.89999:4055 132.89999:12579 133.89999:2079 134.89999:1609 135.8:87 137.89999:445 139.89999:3274 140.8:822 141.89999:604 142.89999:873 143.89999:697 145:470 146.89999:48851 147.89999:8549 148.89999:12173 149.89999:1284 150.89999:663 151.7:151 152.8:108 153.8:637 154.89999:848 156:20727 156.89999:3624 157.89999:6210 159:1403 159.89999:870 160.8:108 161.7:241 162.89999:120 163.7:188 164.7:343 165.89999:2041 166.89999:90 167.7:327 169:142 170:326 170.8:129 171.89999:444 172.89999:530 173.89999:1567 174.89999:341 175.8:341 176.8:553 177.7:198 178.8:56 180.89999:102 181.7:279 183.89999:413 184.8:367 185.89999:456 187:238 187.8:837 188.89999:529 189.89999:607 190.89999:595 192:144 192.8:69 194.8:86 195.89999:6 196.7:118 196.7:118 197.89999:199 199:322 199.89999:325 200.8:310 201.89999:1886 203:855 203.89999:4478 205.8:322 206.8:206 209.89999:24 211.7:52 213.89999:1295 214.89999:435 215.89999:1459 217:597 218:8811 218.89999:2140 219.89999:927 221:1154 221.7:291 223:38 225.7:192 226.89999:100 227.8:447 228.8:807 230:12680 230.89999:78 231.89999:1673 232.89999:154 233.7:0 238.3:46 239.7:232 240.89999:173 241.8:100 244:622 246:177016 247:38198 248:16426 249:1869 249.8:334 250.8:117 254.89999:3910 255.89999:790 256.89999:1165 257.89999:3457 258.79999:812 259.79999:743 261:350 261.70001:132 263.79999:213 265.89999:108 268.79999:146 270.79999:173 271.89999:255 272.79999:327 273.89999:2165 274.89999:700 275.89999:385 276.79999:78 279.89999:60 280.79999:360 282.70001:105 286.79999:17 289:38 290.20001:149 291.79999:58 298.89999:154 299.79999:77 300.79999:15 302.79999:119 313.79999:138 319.89999:2546 320.89999:821 321.70001:341 322.60001:81 327.60001:38 328.79999:335 329.70001:328 330.60001:24 331.79999:132 335.79999:75 345:74 345:66 345.89999:119 347.89999:9785 348.89999:3106 349.89999:1705 350.79999:386 351.79999:49 359.79999:222 363:4365 363.89999:1537 364.79999:706 392.79999:122 394.20001:15 411.79999:170 412.89999:36 413.79999:35 414.89999:16 350451.9 575287.9 117965.2 277996.7 175021.4 213207.3 227697.2 383537.7 354279.6 264171.8 473993.6 329589.1 209873.8 180390.9 250924.2 79573.78 217193.2514 205009.8054 132592.4702 107781.4043 1059 15.216 570259.88 173 glutamine 1 9.507 570444 ZDXPYRJPNDTMRX-VKHMYHEASA-N 340 FALSE FALSE FALSE FALSE 87.9 0 99.9 79.8 64.1 95.5 95.9 106.94 43462_C-A22 52:141 52.9:945 54:3320 55:6080 56:31729 57:15725 58:6871 59:5210 60:2778 61:7227 61.8:493 62.9:392 63.8:81 64.8:164 65.9:1683 66.9:292 69:1640 70:3029 71:6214 72:9158 73:90245 74:18376 75:78802 76:6589 77:3262 78:304 78.9:141 80:25 80.9:489 81.9:1309 83:21359 84:30209 84.9:5456 85.9:2315 87:2992 87.9:1251 88.9:959 90:22727 90.9:3379 92:1136 92.9:173 94:187 95:367 97:542 97.9:803 99:2177 100:3296 100.9:786 101.9:1286 103:2284 104:81 104.9:127 105.8:46 106.7:22 108.9:123 109.9:787 110.9:669 111.9:1522 112.9:4619 113.9:1641 114.9:7899 115.9:15608 116.9:1392 117.9:740 118.9:164 119.8:90 121.6:92 122.8:128 124:73 124.9:242 125.8:1099 126.9:951 127.9:5411 128.89999:1862 129.89999:3314 130.89999:14978 131.89999:2067 132.89999:3099 133.8:45 134.89999:66 135.89999:169 136.8:175 139:5200 139.89999:2166 140.89999:1313 142:2409 142.89999:564 144:2447 145:4766 145.89999:1795 146.89999:14378 147.89999:2034 148.89999:1506 149.89999:382 152:15 153:455 154:84 155:37683 155.89999:50781 157:13646 158:10883 158.89999:1950 159.89999:3999 160.8:175 161.8:211 164:53 164.60001:185 165.10001:314 165.8:225 166.89999:818 167.89999:509 168.89999:291 169.7:25 172:2987 173:95189 174:12403 175:4016 175.89999:239 176.8:84 179:87 180.89999:183 182.89999:488 183.89999:529 184.89999:1187 185.8:1894 186.89999:204 187.8:269 188.89999:117 189.8:20 190.89999:654 191.8:100 192.89999:3 195:396 195.89999:141 196.7:169 197.89999:115 200.10001:59 200.89999:1231 202.89999:475 203.89999:2636 204.89999:223 205.89999:21 206.89999:557 208:241 208.7:98 210:290 213:103 214.7:191 217:1675 219:336 220.89999:442 221.8:130 222.60001:24 223.8:344 225:258 225.8:154 228.89999:8301 229.89999:3444 230.89999:943 231.89999:222 232.7:204 234.7:200 235.89999:248 238.60001:271 239.89999:205 245.89999:74 246.89999:516 247.89999:290 248.7:254 250.8:102 252.89999:169 253.8:168 254.60001:322 254.60001:341 256.89999:1136 257.89999:1005 259.79999:149 264.89999:316 266.70001:170 267.60001:123 268.79999:168 270.70001:99 271.79999:544 272.79999:310 274.89999:5110 275.79999:990 280:77 280.79999:377 281.89999:295 282.70001:158 284.89999:244 289.89999:837 290.89999:247 294.70001:110 301.89999:56 302.79999:12 304.89999:80 306.89999:1167 307.89999:347 308.89999:1253 309.79999:206 314.70001:122 316.89999:188 317.60001:190 318.89999:1026 324.79999:373 330.79999:144 340.70001:120 344.79999:211 349.70001:14 352.79999:22 375.70001:46 395.10001:3 395.79999:63 406.70001:35 414.60001:36 424.79999:103 439.89999:493 440.70001:290 527.70001:183 45142.22 26850.55 28181.55 18119.67 28143.33 49749.67 30229 186520 80564.89 31847 35355.11 20064.55 25913.45 30217.67 38718.78 14150.11 50168.54094 55355.51315 34601.24039 47217.24679 928 13.286 493364.47 155 glutamine dehydrated 0.819 8.21 492607 ZDXPYRJPNDTMRX-VKHMYHEASA-N 340 FALSE FALSE FALSE FALSE 85.2 0 95.6 78.3 71.3 82.3 90.9 269.24 42907_T-D145 51:339 52:1739 53:1700 54:7759 55:7366 56:3469 57:19076 58:13372 59:32724 60:4831 60.9:3977 61.9:333 63:336 63.9:198 65:213 66.1:3287 66.9:1440 68:1509 69:5055 70:7980 71:17801 72:20742 73:417869 74:29679 75:27853 76:1508 76.9:1395 78:241 78.9:1161 79.9:830 81:3368 82:5091 83:4799 84:1 85:12599 86:7092 88.9:390 90.1:126 91:195 91.9:565 92.8:243 93.6:1831 94.8:462 95.9:2087 97:1570 98:5582 99:11731 99.9:8549 100.9:902 101.9:1000 102.9:1808 103.9:256 104.9:849 105.9:438 106.9:3349 107.8:792 108.9:745 110:3612 111:1026 112:15421 113:6296 114:272 115.9:296 116.9:4429 117.9:706 118.9:1389 120.9:9875 122.9:955 123.9:768 125:1868 125.9:4821 127:8407 128:2671 128.89999:1278 130:216 131:9382 131.89999:1828 132.89999:10370 133.89999:1637 134.89999:1141 135.60001:189 136.8:591 138:2763 139:37162 140:6441 141:4651 142:1452 143.89999:344 144.89999:49 146.89999:57961 148:9291 149:4350 149.89999:591 150.8:549 151.8:602 153:10209 155:826310 156:106574 157:32052 157.89999:805 158.89999:24 160.7:161 161.8:189 162.8:113 164.8:275 166:175 166.89999:1459 167.8:338 168.89999:1135 169.8:733 171:493 171.89999:367 172.89999:2544 177.8:112 178.89999:222 179.8:176 180.7:240 181.8:1281 183:667 183.89999:1285 184.89999:2429 186.8:89 188.89999:548 189.89999:16 190.8:462 192:148 192.8:624 193.8:160 194.89999:467 195.89999:32 196.8:544 197.8:247 198.89999:883 199.89999:388 200.8:145 202:160 203.10001:113 203.89999:115 204.7:251 205.8:132 206.8:777 208:0 208.8:256 211:1891 211.89999:814 212.89999:2183 214:293 214.89999:434 215.8:79 217.89999:342 218.89999:66 219.8:96 220.8:67 221.60001:52 222.89999:310 223.60001:168 224.8:127 225.89999:188 226.8:804 227.89999:921 228.89999:38016 230:7756 230.89999:2481 232:392 232.89999:258 238.7:385 239.89999:266 240.8:491 241.8:456 242.8:264 243.8:140 245:110 246:104 248.8:334 250:136 250.7:736 252.60001:397 253.7:339 254.89999:717 255.89999:478 256.89999:52474 258:9892 258.89999:3031 259.89999:96 264.70001:226 266.60001:273 268.70001:204 269.5:90 270.89999:1743 272:13292 272.89999:3039 274:761 275:277 280.70001:90 282.70001:116 284.70001:485 285.60001:86 286.70001:281 288.5:212 289:285 289.89999:44 293.89999:130 298.70001:410 299.79999:68 300.79999:180 302.89999:138 305.79999:449 306.79999:130 328.79999:274 340.70001:165 342.79999:418 343.70001:306 356.70001:182 357.60001:57 358.79999:3773 359.70001:1080 360.79999:590 361.79999:127 362.60001:57 371.70001:92 372.79999:326 416.70001:355 417.60001:92 430.70001:800 431.70001:325 432.39999:234 446.89999:20263 447.89999:7999 448.89999:4575 449.79999:1343 450.70001:510 461.79999:261 462.60001:116 256.1444336 954785.6 339938.4 657083.4 346677.2 669811.9 620805.3 413985.4 831863.9 16097.67 487183.2 504736.2 256.1444336 297266.9 3810.333 172948.1 640729.6695 787769.3422 750390.0148 955803.7626 772 11.604 423418.09 146.9333 glutaric acid 0.944 7.027 421596 JFCQEDHGNNZCLN-UHFFFAOYSA-N 340 FALSE FALSE FALSE FALSE 86.1 0 96.6 79.1 64.7 94.8 91.2 8.12 42577_C-D145 51:145 52:124 52.9:532 54:202 55:25699 56:1065 57:2311 58:3878 59:2794 60:1121 60.9:3111 62:377 62.8:154 64.1:150 64.1:150 65:65 66:247 67.9:662 69:2200 70:222 71:336 72:8500 73:50178 74:5725 75:29060 75.9:2253 76.9:2319 77.9:53 79:181 80:83 81:37 82.9:159 85:2110 86:144 86.9:157 87.9:1174 88.9:633 89.9:172 90.8:120 92.9:7 94.9:58 95.9:85 96.9:6011 98:537 99:764 101:2379 104.8:21 105.7:30 107.1:152 107.8:29 109:305 109.9:2583 110.9:391 112.1:544 113:109 114:1488 114.9:719 116:4843 116.9:2151 117.9:611 118.8:119 123:724 125:838 125.9:97 127:444 128:1300 128.89999:8762 129.89999:3414 130.89999:2228 131.89999:640 132.89999:2554 133.89999:457 134.8:323 135.8:143 139.89999:210 141.8:332 142.89999:1475 143.89999:331 144.89999:1531 146.89999:42957 148:6374 148.89999:4785 149.89999:780 150.8:399 152.89999:63 153.89999:510 155:61 158:9606 159:2569 161.89999:255 162.89999:161 166.89999:45 170.89999:361 171.89999:713 172.8:137 173.7:198 173.7:194 174.7:83 178:208 185.89999:2519 186.89999:1469 187.8:430 194.89999:276 195.8:108 197.89999:79 198.89999:192 201.8:12 202.89999:1932 203.89999:3906 205:796 205.89999:426 207.8:28 208.89999:80 209.7:67 210.8:33 214.89999:2343 217:445 217.8:183 226.8:67 232.89999:2504 234.89999:554 235.8:54 236.8:43 242.8:555 243.8:395 244.60001:341 257.70001:70 260.89999:10648 261.89999:2301 262.79999:968 266.79999:53 278.89999:51 280.70001:50 282.70001:3 291.70001:312 293.89999:36 300.70001:221 303.60001:145 323.79999:643 479.60001:24 21360.33 18855.22 17003 25200.11 6108.222 21236.22 6424.667 38664.22 46037.22 21703 28720.78 18326.55 24636.55 26775.11 17097.55 3990.333 19476.19887 21234.73207 8558.747033 9782.200158 704 10.608 379581.97 73 glyceric acid 0.847 6.329 379720 RBNPOMFGQQGHHO-UWTATZPHSA-N 340 FALSE FALSE FALSE FALSE 88.4 0 99.8 80.8 74.8 86 88.7 9.11 43462_C-D145 52:648 55:738 58:2784 59:14120 59.9:1774 60.9:3316 61.8:214 65.8:1361 66.9:232 69:685 72.1:6646 73:280713 74:0 75:23794 76:1293 78:458 79:1021 80:127 82:338 83:382 85:1 85.9:1639 89:4709 89.9:769 90.9:20 91.9:12 93.8:29 94.9:80 101:10438 101.9:20776 103:43541 103.9:5053 105:2806 105.9:410 106.8:244 107.9:143 109:11 113.9:1 114.9:1903 115.9:4339 116.9:21731 117.9:2536 118.9:4181 119.9:447 121:276 121.9:99 123.8:79 125:600 127.9:283 129:114 129.89999:2864 130.89999:8374 132:1845 132.89999:45401 133.89999:4396 134.89999:4210 136:183 136.89999:542 139:483 139.89999:4180 141.10001:110 141.89999:84 144.8:438 146.89999:114013 147.89999:17981 149:10596 149.89999:1066 150.89999:711 152:367 152.89999:342 156.89999:43 159.10001:314 159.7:144 160.89999:486 162:204 163:946 163.8:147 164.8:78 166.8:15 170.8:61 171.7:118 172.89999:1557 174.89999:5566 175.8:943 176.89999:3606 177.8:364 178.5:188 179.10001:318 180.8:518 181.7:52 184.8:237 188.89999:62196 190:13449 190.89999:7356 191.89999:1182 192.7:326 194.8:332 196:20 201.8:144 203:227 203.89999:2001 204.89999:20720 206:4021 207:2312 207.8:441 208.89999:25 211:6 214.89999:209 216.89999:5060 217.8:819 218.8:2201 219.8:532 220.89999:2794 222:421 222.8:405 226.89999:231 230.89999:61 231.8:278 256.60001:129 264.60001:448 278.89999:467 279.70001:42 291.89999:38877 292.89999:11694 293.89999:5985 294.89999:1342 296:419 299.79999:8 304.89999:76 305.79999:25 306.89999:7454 307.89999:2081 308.89999:984 309.89999:232 322:838 322.79999:198 323.89999:117 355716.2 127891.4 192004.8 272186.7 316760.3 131540.2 307460.7 335667.9 286685.4 502066.9 315939.8 284563.8 325573.6 393431.1 137787.7 432692.4 190537.8519 201718.952 125529.3441 105641.3646 583 9.793 337794.03 73 glycerol 0.528 5.657 339393 PEDCQBHIVMGVHV-UHFFFAOYSA-N 340 FALSE FALSE FALSE FALSE 88.2 0 95 83.7 74.3 90.6 98.1 39.47 95899_T-D145 51:290 52:1339 53:1593 54:810 55:11451 56:4013 57:32445 58:12127 59:42415 59.9:3912 61:6490 61.9:539 62.9:525 64.9:283 66:3396 67:1528 68:1091 69:5003 70:7199 71:28065 72.1:15625 73:503550 74:44683 75:47798 76:2826 77:3521 77.9:588 79:1081 79.9:282 81:369 82:1192 83:2532 84:192 85:19617 86:1534 87:3525 88:3023 88.9:11499 90:1119 90.9:616 92:107 93:55 93.9:118 95.1:358 95.1:358 95.9:428 96.9:379 97.9:767 99:4846 100:1077 100.9:23255 102:3797 103:107268 104:10841 104.9:7343 106:438 106.7:207 107.8:68 108.8:89 109.9:483 110.9:1563 111.9:664 113:4575 113.9:701 114.9:8282 116:10459 116.9:107662 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102:570 103:1025 105.9:107 107:62 107.9:90 109.9:212 110.9:259 112:806 112.9:131 114.9:266 115.9:381 116.9:885 117.8:125 119:219 124.9:21 126.9:159 127.9:669 128.89999:2511 129.8:290 130.89999:2796 131.8:469 132.89999:1636 133.8:165 134.7:55 136.8:118 138:114 140.89999:82 142.89999:1091 143.8:366 144.89999:373 146.10001:175 146.89999:7402 148:156 148.89999:858 151:294 155:12 156.89999:478 158.8:340 159.89999:39 162.8:250 163.60001:226 166.7:58 167.89999:187 168.89999:201 170:346 170.8:108 171.89999:73 172.89999:13 173.89999:253 174.89999:235 176:119 176.89999:104 179.8:83 180.8:129 181.89999:71 183.89999:748 184.8:144 186:2056 187.10001:407 187.8:82 189:1255 190:542 190.89999:1222 191.89999:425 192.89999:145 194.8:51 197:197 198:301 199:327 200.8:315 202:152 203:479 204:20482 204.89999:4875 205.8:1868 206.8:718 207.89999:101 208.8:76 214.89999:11 216:53 217:6259 217.89999:2138 218.89999:660 219.8:247 220.89999:391 221.7:52 224.7:8 225.7:160 226.8:47 227.7:293 228.8:222 229.89999:128 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317.79999:515 319:99 319.79999:11 326.89999:2055 327.89999:6281 328.89999:2076 329.89999:924 330.89999:257 331.5:141 340.89999:4508 341.79999:1379 343:903 343.79999:383 354.89999:1074 356.89999:71732 357.89999:20327 358.89999:10785 359.89999:2074 360.79999:545 368.39999:56 369.89999:12673 370.89999:3872 371.89999:2041 372.89999:4063 373.89999:1265 374.70001:847 375.60001:196 387:8420 387.89999:2916 388.89999:3025 389.89999:878 391:375 415:1220 415.70001:499 416.89999:652 418:222 429:137 444.89999:13333 445.89999:5199 446.89999:3029 447.89999:859 448.89999:212 281635.3 231618.1 125576.8 223870.2 282541.7 126490.4 203652.1 217803.2 237550.7 261294.8 344785.8 206976.3 212580.3 222918 144182.6 134537.1 371832.22 369349.9743 208291.3115 316771.3994 687 10.348 368384.34 174.0226 glycine 0.75 6.145 368707 DHMQDGOQFOQNFH-UHFFFAOYSA-N 340 FALSE FALSE FALSE FALSE 93.5 0 100 89.2 82.9 93.2 100 2692.95 43462_C-D145 52:2793 54:966 58:18057 59:260395 60:13726 61:2272 61.9:940 62.9:626 66:4158 67:2724 69:347 70:6929 71:1985 72.1:29860 73:1275302 74:90944 75:2430 76:7105 77:5821 79:2240 79.8:1247 83:14173 84:5257 85:13246 86:395114 86.9:37196 88:15100 88.9:4052 90:753 94:71 96:584 97:6397 98:4201 99:6463 100:194421 101:39991 102:22240 103:10256 103.9:1796 105:3779 105.9:192 107:18 109:1928 111:4275 112.9:4207 114:5099 115:16823 116:19522 117:70738 118:5478 118.9:25193 119.9:1356 121:2106 122.5:1533 125:3182 126:1305 127.9:2938 129:5247 130:79109 130.89999:60464 132:17197 133:256056 134:38010 134.89999:17557 135.89999:1614 136.89999:683 139:1125 141.89999:124 142.89999:2115 144:27267 145:7972 147:542857 148:83602 149:36641 149.89999:2523 150.89999:1021 151.8:487 153:577 154:1261 155.8:614 157:551 158:44686 159:15489 159.89999:15861 161:4632 161.89999:570 162.89999:581 167:507 167.8:252 168.5:313 169.7:128 171:1465 172:22365 174:2516665 175:423575 176:185298 177:29463 178:5140 178.8:1395 181.7:142 186.89999:1074 187.89999:25479 188.89999:6022 189.89999:4596 190.89999:3033 191.8:874 194.89999:249 198:727 199.8:547 202:12508 202.89999:3204 203.89999:10008 204.89999:2666 205.89999:881 206.89999:302 208.60001:193 215.8:261 217.10001:185 218:1429 218.8:477 219.8:503 220.89999:1249 221.89999:633 222.89999:190 223.8:36 228.8:509 229.7:197 230.7:225 231.8:680 233:310 233.8:308 235:7 245.89999:27590 248:431378 249:103182 250:45088 250.89999:8869 251.89999:2063 252.8:280 255.8:785 260:386 261:177 261.89999:2712 263:801 263.79999:155 267.10001:134 273.89999:182 275.89999:128569 277:35065 277.89999:13134 279:3476 279.89999:132 282.70001:40 284.79999:136 285.70001:316 290.89999:758 291.70001:273 297.89999:9 298.70001:413 301:144 306.70001:292 313.89999:26 369.70001:10 4599629 1226.889 2217 2309.111 1712014 1396.222 3671.444 3109.333 2835.889 2126760 3860063 2941059 5083797 2902522 169.3333 1257.222 3048860.217 2444702.35 2838665.773 2514373.958 232 7.353 227389.19 146.9 glycolic acid 0.611 3.794 227636 AEMRFAOFKBGASW-UHFFFAOYSA-N 340 FALSE FALSE FALSE FALSE 91.5 0 99.9 85.9 74.8 97.9 95.2 25.59 42577_C-D145 51:791 52:1665 57:1488 58:1722 59:4265 59.9:375 60.9:1227 61.8:198 64:20 65.9:18263 73:55035 74:4514 75:1000 77:399 80.9:2237 82:365 87:38 88:1621 88.9:714 89.9:100 94.8:410 98:173 101.9:47 103:1701 103.9:383 104.9:274 105.9:14 106.9:133 113.9:140 117:2294 118.9:198 120.9:85 121.9:24 130.89999:2438 132:451 132.89999:6117 133.89999:1075 134.89999:218 136.8:164 138:31 146.89999:78546 148:12098 148.89999:6938 149.89999:761 150.8:218 153.8:241 157.7:6 158.8:178 160.89999:4697 161.8:725 162.89999:444 170.7:38 176.89999:8713 177.89999:1396 179:809 187:44 204:1653 204.89999:7755 206:1437 206.89999:869 207.8:311 208.8:74 216.8:151 280.70001:13 298.60001:11 354.79999:10 107418.4 2283602 1797.033398 651197.8 71275.22 528399.9 182958.6 215901.2 3076758 73564.34 53955.67 47102 83508.78 1797.033398 1547259 61748.11 629685.0271 613790.2436 936190.8544 976505.5443 1459 19.58 744288.75 351.9 guanine 0.556 12.405 744307 UYTPUPDQBNUYGX-UHFFFAOYSA-N 340 FALSE FALSE FALSE FALSE 84.9 0 100 74.8 73.6 71.7 84.4 215.93 43462_C-A22 51:133 51.9:232 52.9:829 53.9:1075 55:2099 56:2388 57:1 58:2148 59:2877 60:554 61:1268 61.9:193 62.8:199 63.7:83 64.9:128 65.9:322 67:1967 68:1027 69:2362 70:1767 71:0 72:2697 73:113818 74:9379 75:14575 75.9:1154 76.9:1044 77.8:399 79:850 79.9:395 80.9:1863 82:1468 83:954 84:8088 85:737 85.9:1367 86.9:428 88:213 88.9:484 90:69 90.9:437 92.1:121 92.8:610 93.9:410 94.9:1864 96:2452 97:657 98:5313 99:4994 99.9:3159 100.9:1227 102:736 103.9:244 104.9:657 105.8:209 107.1:170 107.9:630 108.8:606 109.8:625 111:1270 111.9:328 114:311 114.9:943 116:517 116.9:3259 117.9:294 118.9:292 120:16 120.7:210 122.1:325 122.9:486 124.1:978 125:7741 125.9:293 127.9:437 128.89999:2192 129.89999:4221 130.89999:3849 131.89999:2380 132.89999:651 133.89999:253 134.8:1 135.7:114 136.89999:453 137.8:737 138.8:447 139.8:481 140.89999:378 142.89999:2052 143.89999:835 144.89999:1158 146:496 146.89999:7363 147.89999:962 148.89999:968 149.8:164 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447.60001:99 448.79999:390 450:785 451:2303 451.89999:1057 453:526 464.79999:169 465.89999:210 466.79999:113 468.89999:74 481.79999:718 482.79999:351 484:164 506.70001:174 524.90002:1366 526.09998:657 527:360 527.79999:85 537.70001:35 538.79999:95 8382094 7282882 5994968 8038070 8158682 7167322 4043449 8384418 8284978 8382833 5472769 4419326 5936240 8383993 6664315 7091855 6077440.105 5793693.026 2201268.795 2137848.46 1315 17.859 675223.5 69 hexuronic acid 0.875 11.233 673957 IAJILQKETJEXLJ-UHFFFAOYSA-N 340 FALSE FALSE FALSE FALSE 76 0 84.9 70 81.7 64.3 46.7 14.92 43469_T-A13 55:2578 57:6183 57.9:1250 67:212 69:4940 70:1360 71:5864 81.9:540 82.9:1930 85:2541 85.9:570 88.9:76 95:400 97:203 99:1767 99.9:1333 101.9:828 104:764 109:61 110.9:1424 112:554 113:236 113.9:391 124.9:1155 126.9:383 132.89999:6552 139:189 141:8 143.89999:820 144.89999:346 145.89999:251 146.89999:23310 147.89999:3446 148.89999:1920 153:461 156:679 159.89999:15245 160.89999:920 161.8:384 163:999 163.7:226 164.8:225 170.89999:425 172.89999:692 174.89999:338 186.8:25 187.89999:238 188.89999:2999 189.8:969 194.89999:300 196:169 196:282 199.89999:54 200.89999:27 209.8:127 210.89999:169 211.7:74 213.8:292 215.8:929 216.89999:7311 218.89999:2679 219.8:567 224.8:79 229.89999:1016 232.89999:114 233.89999:32 234.89999:660 235.89999:180 238:16 244.89999:5 251.89999:117 253.8:137 260.89999:227 262:233 262.89999:20 269.89999:166 273.89999:637 282.89999:68 283.79999:2 286.89999:55 290.79999:1453 291.89999:8259 292.89999:2031 293.79999:1280 294.79999:203 295.79999:123 296.89999:44 297.70001:83 298.89999:1785 299.89999:543 300.79999:181 304.89999:946 305.79999:1007 307.79999:150 310.70001:203 313.79999:572 314.89999:236 315.79999:78 317.70001:966 320.70001:342 321.79999:182 324.70001:38 325.79999:43 326.60001:97 327.79999:219 329.79999:144 330.70001:498 332.89999:32965 333.89999:9662 335:5368 335.79999:1191 336.89999:529 340.5:96 342.70001:324 343.70001:716 346.89999:498 346.89999:598 348:57 348:60 358.60001:5 358.60001:50 375.70001:131 377.5:168 378:136 378.89999:134 379.70001:93 380.89999:98 386.89999:71 387.79999:263 388.89999:57 392.89999:883 393.89999:332 394.79999:254 401.89999:388 403.60001:216 407.10001:97 407.89999:9 417.60001:627 417.60001:627 422.79999:1197 423.89999:668 424.60001:322 429.79999:35 434.79999:37 436.89999:328 438.79999:23 447.60001:102 450.70001:57 15844.44 13119.89 10430.11 15964.78 24494.89 10264.11 25546.45 36170.89 20122.11 27100.78 52337.55 24705.22 35621.45 22283.11 16459.45 19667.45 21987.18146 20213.48061 11183.91772 10064.22854 1182 16.829 634199.88 104.9268 hippuric acid 0.861 10.614 636836 QIAFMBKCNZACKA-UHFFFAOYSA-N 440 FALSE FALSE FALSE FALSE 78.5 0 76.9 79.5 62.8 94.3 100 335.46 38182_C-A13 51:46270 52:4858 53:3265 54:1777 55:16904 56:5317 57:8622 58:18759 59:20095 59.9:4484 61:17150 61.9:1808 63:2366 63.8:640 65:1178 65.9:828 67:2561 68:876 69:8235 70:3665 71:3957 72:18694 73:488460 74:50632 75:128373 76:22468 77:234877 78:18542 78.9:2498 79.9:265 81:2926 82:1 83:2747 84:1 85:2090 86:5840 87:8026 88:6750 88.9:8569 89.9:2340 90.9:4670 91.9:663 92.9:1053 93.9:358 95:3183 95.9:5343 97:2603 98:0 98.9:1118 99.9:2062 101:7252 102:6713 103:35341 104:18446 104.9:446955 105.9:32733 106.9:3090 107.8:282 108.8:1526 110:100 110.9:1269 111.9:496 113:1208 114.9:1773 115.9:10839 116.9:59593 118:14976 118.9:4732 119.8:681 120.9:2687 121.8:308 122.9:274 123.9:176 126.9:965 128:1344 128.89999:29052 129.89999:6174 130.89999:8121 131.89999:19815 132.89999:17175 133.89999:11718 134.89999:8556 135.8:1860 136.89999:939 137.8:132 138.8:412 139.89999:17 140.89999:1016 141.89999:2365 142.89999:1 143.89999:1 144.89999:10972 146:1828 146.89999:43495 147.89999:12011 148.89999:8128 149.89999:1250 150.89999:878 151.8:151 152.8:0 155:516 155.89999:1 157:3982 157.89999:551 158.89999:1825 159.89999:550 160.89999:2727 161.89999:2004 162.89999:8035 163.89999:1422 164.89999:690 165.8:130 166.89999:137 167.60001:1 168.10001:36 168.89999:2010 169.89999:392 170.8:1005 171.89999:713 172.89999:1957 173.8:1 174.89999:456 175.8:840 176.89999:10798 178:2755 178.89999:2131 179.89999:555 180.89999:302 183.8:1 184.89999:1303 185.89999:1091 186.89999:1646 188.89999:5662 189.89999:22572 190.89999:15136 192:13995 192.89999:1384 193.89999:743 198.89999:231 199.89999:0 200.89999:2133 201.89999:827 202.89999:3431 203.89999:28318 205:22873 205.89999:267744 206.89999:66185 207.89999:15635 208.89999:3153 209.89999:326 210.8:262 211.7:178 212.8:311 213.89999:118 214.89999:1412 216.89999:10676 218.89999:1071 219.89999:77 220.8:2062 221.8:482 222.8:63 226.8:1 228.89999:1801 229.89999:834 231:3650 231.89999:1058 232.89999:1127 233.8:500 234.8:204 235.89999:37079 236.89999:7086 237.89999:1968 238.8:468 241:1193 242.89999:1907 243.89999:709 244.89999:734 245.7:176 246.89999:210 247.89999:90 249.8:594 250.8:1736 251.7:457 251.7:440 252.8:212 253.8:897 254.8:609 255.89999:140 256.89999:3043 257.79999:580 258.79999:1610 259.79999:470 260.89999:227 261.89999:261 262.89999:664 263.89999:241 264.89999:1173 265.79999:162 266.89999:194 267.89999:142 268.79999:662 269.70001:189 270.89999:1219 271.89999:548 272.79999:727 273.79999:178 275:208 276.89999:1551 278:608 278.79999:774 280.70001:431 282.10001:206 282.79999:110 283.89999:230 285:21423 286:6171 286.89999:1760 288.10001:280 288.79999:180 290:864 291:2448 291.89999:1665 292.79999:1389 293.89999:392 294.79999:354 295.79999:302 296.79999:149 298.89999:1 300:996 301.10001:401 301.89999:200 302.79999:823 304.89999:4069 305.89999:16777 306.89999:7630 307.89999:3600 308.79999:983 309.79999:497 312:477 316.89999:628 318.89999:9975 320:2829 320.89999:1918 322.89999:234 326.60001:79 327.70001:218 328.70001:142 329.79999:98 330.79999:382 332.89999:816 333.79999:271 334.79999:189 335.79999:263 340.70001:214 341.70001:295 344.89999:1440 345.89999:548 346.89999:1228 347.79999:613 348.89999:298 349.89999:129 353.60001:74 354.70001:142 358.5:42 361.89999:991 362.89999:605 363.79999:228 364.89999:0 374.89999:1 379:174 382.79999:124 388.79999:66 392.89999:102 395.5:366 396.29999:224 397.79999:103 398.79999:192 406.70001:149 434.89999:1143 439:1957 439.89999:744 211671.3 177806.2 128789.2 263095.6 180205.9 144761.9 316159.4 168701.6 249077.8 184786.3 267615.9 118272.4 161127.7 161531.9 142.6667 100616.2 276664.1619 268127.2307 155750.9621 189339.5183 1288 17.566 663511.81 153.9955 histidine 0.903 11.073 664395 HNDVDQJCIGZPNO-YFKPBYRVSA-N 340 FALSE FALSE FALSE FALSE 92.9 0 98.5 89.1 87.5 90.7 90.9 226.04 42643_C-A22 62.9:64 72:3620 79:113 81:280 82:2971 85:628 86:245 93.9:89 108:171 110:607 111:1081 112:7921 121.9:149 122.9:228 123.9:476 125:241 126:952 136.8:22 138.89999:640 139.89999:1006 145.89999:1521 153:6906 154:179666 155:30409 155.89999:7110 164.89999:671 165.89999:2317 166.89999:1082 175.89999:277 178.89999:885 181:152 181.89999:1684 197:198 222.89999:295 223.89999:98 225:715 225.89999:3272 237.89999:4617 238.89999:978 244.8:1132 249.89999:188 250.60001:133 251.89999:347 253.89999:48956 254.89999:11002 255.89999:3655 256.89999:2137 258:416 265.89999:1133 266.79999:291 267.79999:331 278.79999:103 282.70001:19 287.89999:92 289.79999:135 295.60001:126 307.79999:239 311.79999:199 312.89999:56 325.79999:20 326.60001:48 327.89999:488 328.89999:252 329.79999:73 337.79999:354 339.70001:18 340.79999:40 354.39999:97 356:5229 356.89999:1585 357.89999:454 360:645 361:185 363.89999:176 369.89999:188 370.89999:1720 371.79999:572 372.60001:233 378:122 448.70001:36 538.70001:93 46495.78 94070.78 70327.45 64981.33 14223.67 76816.45 44761.55 192458.6 42773.45 92902.11 70210.55 25186.45 41011.89 39268.55 29798.55 12115.22 59031.58141 105259.7581 41951.10356 94393.75693 1148 16.442 618873.19 95 hypoxanthine 0.292 10.319 619128 FDGQSTZJBFJUBT-UHFFFAOYSA-N 340 FALSE FALSE FALSE FALSE 83.4 0 100 72.4 85.7 68.3 40.5 38.95 37991_C-A22 54:322 57:5295 62.9:55 63.9:136 65:2 71:6109 79:61 84:4441 85:4469 90.9:262 92:258 93.9:255 95:16916 105.9:30 106.9:153 109:72 109.9:125 112.9:1033 119.9:98 121.9:19 123:526 125:2716 135.89999:45 137.89999:188 152.89999:19 164.89999:704 165.89999:1619 166.89999:549 167.89999:1626 180.8:1030 181.89999:291 192.89999:954 193.8:9 194.8:104 196.89999:46 204:1933 206:5524 209:944 209.7:573 219.89999:112 223.89999:6709 224.89999:1239 234.8:61 236:199 236.89999:336 237.89999:1106 238.8:583 240:113 248.8:953 250:130 250.8:35 252:92 252.89999:191 254.89999:85 255.8:170 264.89999:51179 265.89999:9088 266.89999:3621 267.79999:678 268.89999:277 271:1912 271.89999:1710 278.89999:1406 279.89999:17248 280.89999:4070 282:1377 282.79999:54 295:72 295.79999:1 297.79999:199 298.89999:537 299.60001:303 311.70001:41 313.89999:217 318.10001:8 324.60001:101 325.79999:19 326.70001:116 327.79999:50 340.70001:92 345.60001:356 353.89999:24 354.89999:30 354.89999:45 361.89999:405 439.89999:169 443:234 525.90002:11 9085.667 7622.667 12180.11 24917.67 21635.45 6516.778 16743.89 19630.67 8958 14503.44 10113.67 15212.33 11924.56 9935.444 13938 10832.33 35843.25423 20763.77447 34727.79688 13653.49427 1487 20.038 762680.12 201.9243 indole-3-lactate 0.514 12.743 764586 XGILAAMKEQUXLS-UHFFFAOYSA-N 340 FALSE FALSE FALSE FALSE 81.8 null 88.1 77.7 72.2 79.2 91.1 1325.15 38057_C-A13 50.9:371 53:1877 54:3657 55:20378 56:3667 57:3617 58:2342 59:6340 59.9:1755 61:1954 64.9:656 65.9:820 67:5151 68:2781 69:16694 70:6507 71:396 72:5538 73:326073 74:27594 75:18712 76:1431 76.9:815 79:2580 80:745 81:4976 82:2538 83:10782 84:5046 86.9:1001 88:8536 88.9:2213 90.9:939 92:92 92.9:1250 93.9:977 94.9:3699 96:5105 97:7732 98:4065 101:6079 101.9:2307 103:1862 103.8:459 104.9:894 106.9:425 108:639 108.9:2648 109.9:3108 111:6248 112:1392 113.9:866 114.9:5909 116:246 116.9:3206 117.8:208 118.9:999 119.8:166 120.9:432 122:274 123:2144 124:1312 125:2459 126:247 128:1085 129:2337 130.89999:2873 132:758 132.89999:6428 133.89999:1328 134.89999:1178 135.8:202 137:1584 138:400 138.89999:805 139.89999:841 140.89999:754 141.89999:2777 142.89999:2035 143.89999:493 144.89999:3660 146:1265 146.89999:31966 147.89999:5799 149:3799 149.89999:788 150.89999:1086 151.89999:587 152.89999:1360 153.89999:1034 155:529 155.89999:775 156.89999:352 157.89999:411 159:235 159.8:1015 161:406 162:185 162.89999:480 164.89999:429 165.89999:667 166.89999:519 167.89999:469 168.89999:1189 170:3972 170.89999:1020 171.89999:2496 172.8:756 173.89999:1835 176.8:37 178.89999:555 180.10001:924 181:381 181.89999:538 182.89999:803 183.89999:2009 184.89999:813 185.89999:4606 186.89999:1658 187.89999:576 188.89999:470 190.89999:421 194:164 194.8:8 195.8:177 197.89999:1048 198.89999:680 200:15846 201.89999:522300 202.89999:97618 203.89999:27544 204.89999:3382 206.8:387 207.89999:79 208.8:134 210.8:85 211.8:530 212.89999:500 213.89999:1622 215:1845 215.8:2959 216.89999:815 217.89999:302 218.89999:733 219.89999:580 220.89999:1294 222:1404 223:106 223.8:81 224.89999:202 225.8:76 226.8:165 227.8:522 229.89999:297 230.89999:349 231.89999:679 232.89999:120 235.89999:170 236.89999:113 238.8:1 239.7:129 241.8:524 242.89999:332 243.8:188 244.89999:330 245.89999:701 246.89999:487 247.8:95 250.8:148 251.89999:48 253.89999:85 254.8:139 255.8:679 256.79999:293 257.79999:495 258.89999:335 259.89999:323 261:1300 262:241 262.70001:203 264:1313 265:1855 266:78 267.70001:160 270.10001:0 271.79999:82 272.89999:258 273.89999:865 275:28 276.79999:525 277.79999:177 278.89999:62 279.89999:87 281.89999:117 282.89999:12 284:236 284.79999:74 285.60001:350 287:261 287.79999:197 288.79999:335 290:504 291:97 291.89999:6305 292.79999:1830 293.79999:44 294.89999:267 295.60001:43 297.79999:386 298.79999:318 299.79999:300 301.89999:767 302.79999:1979 304:6494 305:2020 305.89999:855 309.89999:44 312:4 314:474 314.89999:1171 315.89999:1213 316.89999:502 317.89999:373 321.60001:175 322.89999:298 323.89999:151 324.60001:70 326.89999:272 327.70001:103 328.89999:910 329.79999:810 330.89999:3269 331.89999:1197 332.89999:527 333.79999:331 334.89999:6 338:11 338.79999:97 341.70001:88 344.89999:257 346.79999:241 347.70001:263 349.10001:168 349.70001:150 350.79999:154 356.79999:853 358.79999:58 359.79999:15 360.70001:133 361.79999:172 363:39 364.60001:261 365.5:152 372:5 373:141 374.70001:33 375.60001:157 377.89999:3104 378.89999:1427 379.79999:598 380.79999:83 383.70001:46 386.79999:213 387.70001:194 388.89999:227 389.70001:1 390.60001:87 403.70001:32 405.89999:3350 407:1689 407.89999:1115 408.79999:600 409.79999:284 412.79999:4 414.70001:77 418.60001:23 420.89999:13987 421.89999:5223 423:2247 423.79999:760 430.89999:8 436.70001:9 439.70001:24 441:26 445.89999:477 446.79999:132 535.40002:54 1615 1195.333 3550.778 3004.667 3161 1727.111 3581.222 2244.778 2286.667 2377.222 1630.667 1381 1718.889 2133.778 1384.333 901.6667 202836.9574 192514.8312 203609.199 219059.0912 1679 23.386 897499.06 73 inosine 1 14.957 897434 UGQMRVRMYYASKQ-KQYNXXCUSA-N 340 FALSE FALSE FALSE FALSE 89.8 null 99.7 83.2 76.7 85.2 98.7 24.65 43081_T-D145 50.9:322 52:605 52.9:1432 54:1113 55:4188 56:1637 57:4342 58:3856 59:8333 59.9:1066 60.9:1653 61.7:146 62.9:147 64.9:452 66:582 67:774 67.9:997 69:3462 70:1349 71:3783 72:6230 73:295664 74:25850 75:23994 75.9:1203 77:955 77.9:157 78.9:381 79.9:231 81:1014 81.9:407 83:1116 84:3044 85:3401 85.9:1174 86.9:1273 87.9:339 88.9:2966 89.7:418 90.9:362 92:482 92.9:470 94:112 94.9:526 95.9:270 96.9:1215 98:1334 98.9:2728 99.9:2245 100.9:5877 101.9:1541 103:34605 104:3378 105:1570 105.9:203 106.8:419 107.8:1 108.9:214 109.8:1917 111:2612 112:842 113:3064 113.9:529 114.9:6873 115.9:4001 116.9:8770 118:981 118.9:1938 119.9:733 120.8:193 121.9:228 123:667 124:631 124.8:647 125.8:470 126.9:1548 127.9:397 128.89999:11511 129.89999:1362 130.89999:6445 132:1063 132.89999:10587 133.89999:1957 134.8:1111 136:418 136.89999:568 137.89999:2050 138.89999:623 139.8:357 140.89999:1402 141.8:1791 142.89999:4971 143.89999:997 144.89999:3378 145.89999:1097 146.89999:37599 147.89999:5791 148.89999:5026 150:882 150.8:522 151.7:619 152.89999:845 154:389 154.89999:769 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99.9:2 100.8:240 102.9:1082 103.8:27 105:1 107:102 107.9:57 108.9:84 110.9:83 112:98 116:46 116.9:495 117.9:39 118.9:107 119.8:101 120.7:57 122:83 123.9:43 126.9:212 127.9:125 128.89999:1117 131:82 132:213 132.89999:276 135:80 135.8:37 138.8:42 140.10001:8 141:57 141.8:114 142.8:117 144.89999:328 146.89999:900 148:235 148.89999:214 149.8:33 150.89999:20 154.8:196 155.8:31 156.8:208 157.8:64 158.7:151 160.8:101 162.8:102 164:28 164.7:137 164.7:137 166.7:74 168.89999:800 169.89999:197 170.8:177 172.8:154 175.7:61 176.8:84 177.60001:37 180.7:113 181.7:120 182.89999:111 183.89999:38 188.8:190 190:149 190.8:161 197:88 197.89999:32 198.8:75 199.8:108 201.60001:80 202.10001:16 204:5525 204.8:1146 205.8:862 206.89999:123 207.8:67 209.89999:23 210.8:105 211.89999:149 212.89999:81 214.7:69 215.5:69 216.89999:2217 217.7:453 218.60001:238 219.7:63 224.8:16 228.8:181 229.7:89 230.7:374 234.7:7 236.8:40 237.89999:102 238.89999:46 242.8:388 243.8:145 245.10001:183 245.7:93 248.8:47 251.5:7 255:63 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16.396 617093.62 73.03636 isocitric acid 0.569 10.289 617338 ODBLHEXUDAPZAU-ZAFYKAAXSA-N 340 FALSE FALSE FALSE FALSE 83.4 0 96.9 74.4 72.1 72 86.2 447.3 43462_C-A13 50.9:7 52:369 53:818 54:47 55:3536 57:7877 58:648 61:553 61.8:84 63.9:43 64.9:228 66:330 66.9:1423 69:3671 70:1272 71:8208 72:2633 73:17799 74:4096 75:8044 75.9:188 77:354 77.9:80 79.9:212 82:49 83:706 84:2324 85:5313 87:266 87.9:30 88.9:548 89.8:175 90.9:372 91.9:129 92.9:56 95:13992 99:2715 101:1330 102:675 103:749 104:290 105.9:213 106.8:274 107.8:12 108.9:199 109.9:379 111:1119 111.8:375 111.8:375 113:2067 113.9:93 114.9:1826 116:1698 117:2358 117.9:433 118.9:679 119.9:309 120.8:169 122.9:1 124.9:791 125.9:593 126.9:1041 129:7858 129.89999:617 131:4177 132.89999:7961 133.89999:1174 134.89999:1193 136.89999:243 137.8:94 138.89999:440 139.89999:1865 140.89999:2132 142.89999:2332 144:298 145:627 146.89999:66222 147.89999:10433 148.89999:9846 149.89999:905 150.89999:682 151.7:70 152.89999:336 153.8:194 154.89999:943 156:410 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217.89999:41214 222.89999:29 232:11379 233:2883 233.89999:1208 234.8:205 235.8:22 241.7:60 243.89999:64 245.89999:251 247.89999:1 248.8:0 257.79999:24 260:2593 260.89999:742 262:377 264.79999:1 280.89999:39 298.89999:114 299.70001:172 300.39999:197 300.89999:171 341.79999:36 354.70001:154 355.60001:64 265551.6 143.8888916 7872.556 9722.333 7023.111 10925.33 15044.11 12383.89 15054.22 263342.8 299253.2 259670.8 1651.222 249947.6 112122.7 13006 128468.0505 95819.30657 100451.2802 83635.38254 945 13.489 500799.38 291.9 isothreonic acid 0.694 8.336 500188 JPIJQSOTBSSVTP-GBXIJSLDSA-N 340 FALSE FALSE FALSE FALSE 82.5 0 93 75.5 82.2 69.2 68.2 38.4 38057_C-B22 55:23306 57:0 68:2243 69:0 70:923 71:4258 73:18122 80.9:376 83:10072 85:0 94.9:341 96.9:0 97.9:69 99:5405 100.9:239 108.8:72 109.9:1 110.9:724 112.9:3885 113.9:80 115:25337 116.9:61653 122.9:1 125:56 125.9:322 126.9:1702 128.89999:14748 132.89999:40997 133.89999:6215 134.89999:1568 135.8:603 138.89999:305 140:111 140.89999:565 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291.89999:203940 292.89999:52854 293.89999:27427 294.89999:3984 295.79999:614 296.79999:76 304.89999:3903 306:1059 306.89999:3621 307.89999:675 308.79999:425 313.89999:2966 314.79999:1166 315.70001:346 316.79999:45 318.89999:19157 319.89999:4711 320.89999:5704 321.89999:1147 322.79999:440 329:4382 329.89999:1981 330.89999:494 332.70001:521 334:449 334.79999:226 340.60001:196 348.60001:182 352.70001:210 378.89999:3787 379.79999:1922 381:538 381.60001:21 408.89999:8525 410:2814 411:950 411.89999:127 52240.89 66005.34 42432.89 49054.22 6.666666412 31941.33 52173.33 47810.67 49527.11 67100.45 60236.45 43487.11 49512.89 57296 58630.22 52486.22 112867.3984 111525.2129 88142.20779 87582.64988 1482 19.957 759533.38 191.9155 kynurenine 1 12.697 761817 440 FALSE FALSE FALSE FALSE 74.9 null 79.4 71.9 69.8 71.2 79.7 51.16 38182_C-A13 51:432 52:7 53.9:252 58:535 58.9:877 59.9:334 60.9:701 61.9:130 62.8:252 63.9:39 64.9:433 66:71 67.9:258 70:1288 72:38 73:27822 73.9:3373 75:9896 75.9:912 76.9:620 79:251 80:319 80.9:103 82:338 82.9:1 85:553 86:624 87:234 87.9:298 88.9:501 89.9:286 90.9:1971 91.9:833 93:546 93.9:97 94.9:343 96:319 98.9:503 99.9:67 100.9:232 101.9:332 103:125 103.8:264 105.9:649 106.9:360 108.1:145 108.9:76 109.9:374 111:0 113.8:122 114.8:276 115.8:752 116.9:531 118:2320 119:631 119.9:3872 120.9:404 121.8:261 122.8:69 123.9:146 127.9:1332 128.89999:1266 129.89999:3292 130.89999:1734 131.89999:555 132.89999:684 133.89999:2245 134.89999:510 135.89999:458 136.89999:93 138.8:68 139.8:125 144:1423 144.89999:1535 145.89999:3233 146.89999:1984 147.89999:2489 149:947 149.89999:2228 150.8:540 151.89999:207 152.8:224 153.8:116 155.89999:2509 156.89999:620 159:454 160:1266 160.89999:752 162:728 162.89999:189 164:397 164.89999:377 165.7:172 167.8:96 171.8:97 174:7346 174.89999:1475 175.89999:2210 176.89999:423 177.8:648 178.8:756 179.7:0 181.60001:106 182.89999:53 183.8:136 184.8:136 185.8:63 186.7:50 187.8:1178 188.89999:149 189.8:52 190.89999:281 191.89999:39624 192.89999:6220 193.8:1733 194.7:241 197.7:51 199.8:72 201.8:1639 202.89999:234 203.89999:92 204.89999:237 205.8:597 206.7:314 207.8:958 208.8:123 209.8:152 212.60001:167 215.8:367 216.89999:1227 217.89999:6838 218.89999:2594 219.89999:999 220.7:351 221.7:66 222.60001:57 223.89999:148 225.8:168 226.7:23 228.8:233 229.89999:203 230.89999:234 231.7:411 232.89999:960 233.8:437 235:4048 236:938 236.89999:301 237.8:173 238.89999:181 239.89999:136 243.8:26 244.7:401 245.89999:679 246.8:350 247.8:180 249.8:251 250.8:106 251.8:166 252.8:186 253.89999:184 254.7:102 255.89999:12 256.70001:251 257.79999:80 258.89999:202 259.79999:36 261.79999:1093 262.89999:533 263.70001:186 264.79999:185 265.70001:383 266.79999:1 268.79999:17 269.5:132 273.89999:141 277.89999:31 278.79999:272 280.20001:139 280.79999:116 282.70001:2 283.70001:81 285.60001:149 289.79999:149 290.79999:240 291.70001:109 292.79999:92 295.89999:51 296.89999:61 297.79999:17 301.79999:7 302.60001:204 304.70001:94 305.89999:10 306.79999:194 307.89999:200 308.70001:158 315.79999:271 316.89999:106 317.79999:161 318.89999:157 319.89999:2294 320.79999:794 321.89999:307 326.79999:1 327.89999:188 328.70001:206 330.60001:25 333:101 333.89999:694 334.70001:598 335.79999:125 336.89999:509 337.60001:92 351.79999:1831 352.79999:552 353.79999:104 354.89999:226 354.89999:330 355.89999:247 356.5:170 358.5:141 361:38 363:50 364:144 378:40 383.79999:95 416.29999:162 417:274 417.60001:121 421.79999:44 431.79999:299 432.60001:91 436.89999:684 437.89999:277 438.70001:12 446.70001:25 462.89999:372 463.70001:51 14524.44 16970.55 9259.556 11833.22 7276.111 10340.22 14219.22 3107.333 5373.444 6688.556 13158.11 4820.222 5052.222 5697.444 5685 4287.667 16369.31282 13845.68958 11351.04487 9472.664375 205 7.191 218633.91 147 lactic acid 0.819 3.628 217657 JVTAAEKCZFNVCJ-UHFFFAOYSA-N 340 FALSE FALSE FALSE FALSE 92.2 0 97.1 89 82.1 97.7 92.3 48.47 38467_T-D145 51:3558 52:5138 52.9:930 55:23486 57:4456 59:34641 60:1557 61:8393 62:375 63.8:166 66:44146 69:343 70:4959 71:1 72.1:33209 73:371807 74:34072 75:54199 76:2088 77:250 78:667 79:1110 80:817 81:249 81.9:98 83.1:435 83.9:24 85:1677 87:13589 88:42856 89.9:646 91:234 91.7:2 93.9:1856 94.9:2266 95.8:401 99:0 101:16828 102:6013 102.9:12940 103.9:1188 104.9:3663 105.9:440 107:87 109:197 112:183 113:1547 114.9:5622 117:433096 118:28956 119:12372 120:666 120.9:35 121.7:124 122.7:73 123.8:29 124.9:62 126.9:1 128.89999:6723 130.89999:32042 132:4422 132.89999:54877 134:1892 135:2297 136:3451 136.89999:467 142.89999:948 145:1002 147:573370 148:86526 148.89999:30059 149.89999:3972 156.8:224 157.8:23 158.8:529 161:342 162.7:444 168.7:69 169.7:205 171.7:39 172.89999:196 175:3333 175.89999:675 176.8:489 177.7:94 187.5:166 187.5:161 189.89999:74460 191:88148 192:21209 193:7240 195:17 202.89999:2779 203.8:152 204.89999:3651 206.10001:745 206.8:907 207.8:266 216.89999:593 219:28992 219.89999:2637 220.89999:21362 221.89999:5263 222.89999:2746 223.89999:539 225:202 228:8 232.89999:931 233.8:265 237.8:199 243.7:5 250.8:238 252.5:155 264.89999:761 266.70001:245 280.79999:30 284.79999:107 286.89999:5 294.60001:128 311:33 2141434 1517541 524567.8 301097 206106.1 424425.2 315759.3 61511.33 20132.45 290279.7 154.9666626 104254.7 229170 44827.11 721110.9 109769.1 1150546.106 582477.9926 1854071.614 1029033.202 1735 24.916 958749.62 203.9172 lactitol 1 15.992 959541 VQHSOMBJVWLPSR-JVCRWLNRSA-N 340 FALSE FALSE FALSE FALSE 80.5 null 94.4 71.3 72 63.3 85.1 14.87 42154_T-D145 52.9:103 54:143 57:1407 58:250 59:303 62.9:32 64.8:34 65.9:92 67:5 68:7 69:517 71:922 72.1:378 73:27445 74:1788 74.9:2028 75.9:70 77:196 78.9:287 79.9:36 80.9:111 82:71 83:99 84:54 84.9:933 87:39 88.8:11 90:10 90.9:427 92:18 93:98 93.9:60 96.9:85 98.9:575 99.8:138 100.9:223 101.7:162 101.7:162 102.9:1436 103.9:141 104.9:400 106:71 107:147 109:76 111:213 111.9:56 113:141 113.8:63 115:933 115.8:78 116.9:1994 117.9:248 118.8:380 124.8:28 125.9:36 126.9:380 129:2278 129.89999:1869 130.89999:1843 131.89999:176 132.89999:1290 133.8:326 134.89999:270 136.89999:53 137.89999:77 140.89999:282 142:114 142.89999:1220 143.8:220 144.89999:275 146:169 146.89999:8356 147.89999:1387 148.89999:625 149.89999:29 150.8:85 152.10001:85 152.10001:93 155:317 156:226 156.89999:432 158.10001:138 158.89999:509 159.89999:134 160.89999:404 161.89999:125 162.8:156 163.7:12 164.8:27 165.7:39 166.7:131 170.89999:269 171.7:146 173:43 174.89999:452 175.89999:113 176.8:189 177.8:76 178.89999:84 179.8:66 180.89999:34 181.5:27 182.89999:279 183.8:95 184.8:30 186.89999:32 188.8:952 189.8:375 190.89999:6387 191.89999:1158 192.8:507 195.7:199 198.7:123 201.60001:72 203.89999:33464 204.89999:5776 205.89999:2464 206.89999:483 209.8:2 210.8:132 212.60001:71 215:152 216.89999:7391 217.89999:1541 218.89999:598 220:60 220.8:361 221.8:180 226.7:51 228.2:113 228.8:387 230:666 230.8:999 232:322 232.8:236 233.8:97 239:61 242.89999:204 243.7:154 245:655 245.89999:271 246.60001:228 247.60001:31 250.8:124 251.7:91 252.7:39 253.8:184 254.60001:112 255.8:80 257:267 258.89999:85 261.79999:86 264.79999:527 265.79999:210 266.79999:38 269:1747 269.79999:502 269.79999:588 271.10001:57 271.89999:4 272.79999:1151 273.79999:391 274.89999:110 277.79999:167 278.60001:90 279.70001:200 280.89999:102 283.79999:68 284.70001:42 285.60001:22 286.60001:86 289:83 290.89999:603 292:190 293:1015 293.79999:261 294.89999:153 301.5:73 302.70001:153 303.89999:374 305:2720 305.89999:990 307:389 313.79999:72 314.89999:14 315.70001:31 317.79999:1542 319:1394 319:1394 319.70001:489 321:178 330.70001:95 332:88 332.79999:122 341.79999:64 342.89999:497 343.89999:221 344.60001:224 346.70001:35 356.79999:15 358.89999:283 359.89999:59 363.20001:257 363.20001:236 363.89999:109 368.79999:1 372.89999:30 375:103 379:47 395.89999:256 414.60001:68 415.79999:42 416.5:129 418.70001:129 428.5:35 429.60001:54 432.89999:911 433.70001:427 434.89999:290 446.70001:54 458:71 461.79999:66 488.89999:60 506.60001:107 522.59998:104 523.09998:150 16778.78 11682 17384.89 33960.11 17353.78 11194.22 19502.78 22022.45 21627.89 12834.67 9268.556 9733.889 16296 26505.11 19817.78 18479.78 17644.87722 21824.91179 7520.921896 9099.633636 1747 25.209 970480.31 203.9364 lactobionic acid 0.792 16.202 972139 JYTUSYBCFIZPBE-AMTLMPIISA-N 340 FALSE FALSE FALSE FALSE 76.8 null 85.2 71.2 58.6 82 87.3 8.34 42924_C-D145 51:0 54:127 56:387 57.9:190 59:1735 59.9:218 60.9:124 61.9:38 63.7:105 64.9:99 67:38 71:446 72:708 73:53434 74:4274 75:5517 76:22 76.9:151 77.9:242 79.9:103 81:48 81.9:995 84:1374 85:936 86:2401 86.9:349 87.9:580 88.9:649 90:181 90.9:132 92.9:242 94:222 97.9:342 99:784 100:1308 101:844 101.9:1249 103:4020 103.9:714 104.8:343 107.8:30 109:33 109.9:75 111:220 111.9:378 113.9:289 114.9:335 116.9:4837 117.9:638 118.9:262 119.9:79 121.9:220 122.8:197 124:46 125:226 125.9:320 127:710 127.9:675 128.89999:4266 129.89999:1695 130.89999:62 131.89999:317 132.89999:2224 133.8:70 138.7:202 139.89999:484 140.89999:410 141.89999:1038 143:624 144.89999:273 145.89999:816 146.89999:10847 147.89999:1983 148.89999:1119 149.8:313 150.7:81 151.89999:40 152.89999:313 154:679 155:1203 156:3732 156.89999:1553 157.8:912 158.89999:355 159.8:394 160.8:136 161.89999:158 162.8:23 164.8:81 165.89999:188 166.8:102 168:173 169:786 170:534 171.10001:314 172:980 173:128 174:14841 174.89999:2844 175.89999:1302 176.89999:289 177.8:48 178.89999:337 180.89999:201 181.8:86 183:326 183.89999:671 185.8:406 186.8:90 187.8:51 188.8:1872 189.89999:300 190.89999:2188 191.8:157 192.8:499 193.89999:343 196:246 197.10001:311 197.89999:2432 198.7:417 200:3202 200.8:471 201.8:613 202.89999:665 203.89999:29086 205:7343 206:2829 206.89999:910 207.89999:28 208.8:67 209.8:225 210.89999:44 211.8:151 212.8:174 213.7:385 214.7:108 215.8:459 216.89999:11765 217.89999:2239 218.89999:1178 219.8:386 219.8:386 221.8:177 222.8:101 223.8:45 224.7:109 226.10001:66 226.7:304 227.7:256 228.8:514 229.89999:326 230.89999:825 231.89999:283 232.89999:353 233.89999:50 234.89999:156 235.8:131 237.60001:4 240.8:117 241.8:204 242.89999:915 243.89999:445 244.7:709 245.8:88 246.8:129 248:223 248.7:35 249.89999:205 250.89999:279 251.89999:231 252.89999:54 254.8:139 255.7:189 256.89999:126 258.79999:116 259.79999:431 260.79999:15 261.79999:226 262.89999:43 264:241 264.79999:22 267.79999:65 268.89999:231 269.79999:121 270.70001:568 271.79999:290 272.5:110 273.89999:199 274.60001:237 276.89999:193 278.60001:97 279.79999:320 280.70001:139 281.79999:135 282.79999:26 284.79999:278 286.60001:187 287.70001:7 288.79999:75 289.89999:14 290.70001:348 291.79999:100 294.89999:64 300.79999:124 301.89999:915 302.79999:142 303.89999:119 304.79999:317 305.79999:136 306.89999:196 307.79999:228 310:45 310.79999:63 313.79999:321 314.79999:82 315.79999:146 316.89999:139 317.79999:88 318.89999:285 319.79999:308 321.70001:89 322.79999:124 323.79999:180 326.79999:215 327.89999:143 329.79999:383 330.79999:606 331.89999:1627 333:522 335.79999:85 336.79999:87 343.5:217 344.10001:183 344.89999:52 346.79999:197 354.60001:63 358.70001:143 358.70001:143 359.79999:187 360.89999:2492 361.89999:892 363:550 364.79999:205 366.79999:83 367.79999:52 369.79999:149 370.89999:184 371.70001:163 372.70001:183 373.79999:45 374.89999:458 376.79999:140 382.70001:76 383.89999:106 385:43 385.70001:45 387.60001:252 387.60001:342 391:279 392:44 400.10001:31 400.70001:296 401.70001:26 402.70001:105 403.89999:121 405:27 405.89999:33 408.39999:116 412.70001:143 415.79999:85 428.79999:209 429.70001:78 430.79999:98 431.70001:241 435:86 445.10001:49 446.89999:115 448.89999:87 450.10001:80 459.70001:12 460.89999:263 463:2523 463.89999:1700 464.89999:884 465.89999:396 467.79999:270 469:116 475.10001:643 475.10001:749 475.89999:2697 476.89999:1187 478:712 478.89999:108 488.79999:102 490.29999:107 507:118 516:48 526.90002:20 534.29999:36 535.09998:7 535.90002:170 548.79999:185 562.70001:70 576.70001:77 598.79999:82 15249.22 5712.778 4702.667 5092 2264.111 8994.889 3378.222 8120.889 7429.444 30558.45 2971.556 6883.333 1909.444 17255.89 4084.556 2456.111 7043.792442 6800.810421 6104.088892 5895.115768 1717 24.379 937253.62 73 lactose 0.306 15.594 935640 GUBGYTABKSRVRQ-QKKXKWKRSA-N 340 FALSE FALSE FALSE FALSE 81.8 null 82.2 81.5 75.2 83.9 95.7 8.18 37991_C-A22 51.9:234 53:362 54:962 55:1531 56:1144 57:2470 58:1676 59:6840 59.9:918 60.8:564 61.8:178 62.9:137 63.9:192 64.8:45 65.9:913 67:1368 70:7 73:366079 74:28308 75:22854 75.9:1347 77:1444 77.9:217 79.9:72 81:2687 82:44 85:3112 85.9:232 86.9:1247 87.9:1050 89:14768 89.9:1269 90.9:745 92.1:175 93:410 93.8:150 95:52 98:210 99:1696 99.9:4854 101:5600 101.9:3160 103:64548 104:6042 104.9:5084 105.9:140 112.9:2101 114:796 115:1914 115.9:2152 116.9:33754 117.9:3810 118.9:3150 119.8:414 122.9:208 123.9:6 126.9:1295 128.89999:47428 129.89999:6919 131:8513 132:1991 132.89999:17654 133.89999:2077 134.89999:1201 136.89999:147 137.89999:229 138.8:251 140.89999:2000 142:1740 142.89999:10657 143.89999:1509 145:3231 146.89999:112541 147.89999:17289 148.89999:12099 149.8:1231 150.8:576 151.8:571 154:250 155:5064 156:121 156.89999:6192 158:1295 159:2202 159.89999:20625 161:5205 161.89999:1251 162.89999:4352 163.8:284 164.89999:23 166.89999:226 168:602 168.89999:25445 170:3841 170.89999:2686 172:1274 173:2425 173.89999:1201 174.89999:2419 175.8:231 176.89999:1286 177.8:664 178.89999:557 179.89999:437 180.89999:239 181.89999:525 182.89999:1026 183.89999:156 184.89999:853 186:1627 186.89999:1263 187.89999:827 188.89999:11693 190:2823 190.89999:26008 191.89999:4230 192.89999:2239 194:390 195.8:726 196.89999:201 197.8:458 198.89999:1005 200.10001:22 200.89999:1821 201.89999:1116 203:2635 203.89999:213370 204.89999:84017 205.89999:24710 206.89999:7847 208:1021 208.8:498 209.8:554 211:198 212.89999:310 213.89999:290 214.89999:2209 216.89999:100453 217.89999:24200 219:10829 219.89999:2711 220.89999:5040 221.89999:1050 222.89999:817 225:209 226.89999:123 227.89999:770 228.89999:8988 229.89999:5227 230.89999:8387 231.89999:2437 233:9554 234:2048 234.89999:3492 235.8:548 236.8:178 237.89999:207 238.89999:1219 239.89999:280 240.89999:1483 241.89999:780 242.89999:13994 243.89999:3503 244.89999:4375 245.89999:2138 246.89999:3082 247.8:748 248.8:305 250:388 251.7:177 253:177 253.7:397 255.89999:110 256.89999:1418 257.79999:230 258.89999:3258 259.79999:761 260.89999:669 261.79999:796 262.79999:514 264.89999:867 266:4 266.79999:327 267.89999:1905 268.89999:402 269.89999:419 270.89999:13164 271.89999:4044 272.89999:3098 273.89999:599 274.79999:1577 275.89999:813 276.70001:570 278:103 278.79999:364 280.89999:325 283.79999:69 284.79999:154 285.89999:30 286.89999:303 287.79999:829 288.89999:653 289.70001:555 290.89999:4843 292:1381 292.79999:1088 294.10001:398 294.79999:86 295.79999:198 296.79999:346 298.10001:427 298.79999:335 299.89999:4148 300.89999:541 301.89999:516 302.89999:640 303.89999:1182 304.89999:8418 305.89999:3077 306.89999:2152 307.79999:770 308.89999:324 309.70001:86 310.89999:125 312.89999:332 313.70001:183 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180.89999:2176 181.89999:16322 183:3918 185:8580 186:101195 187:38913 189:694647 190:204367 191:331737 192:62719 192.89999:34007 194:4058 194.89999:2202 196:19842 196.89999:3860 198:6122 198.89999:1885 199.89999:13190 201:79135 202:29517 203:42807 204.10001:383204 205:5459761 206:1301848 207:671977 208:95059 209:25293 210:25224 211:5249 212:2775 214:87326 215:44750 217:2305583 218:509445 219:245328 220:51658 221:173176 221.89999:40468 223:22814 223.89999:3932 225:1034 225.89999:2441 227:2496 229:746542 230:217291 231:166757 232:54177 233:398924 234:132261 235:283357 236:59027 237:30342 238:5227 238.89999:864 239.89999:17386 240.89999:11871 241.89999:68751 243:70525 244:70748 245:60711 246:61834 247:49053 248:18026 248.89999:10954 249.89999:3076 251:4185 251.89999:2700 252.89999:1654 254:6066 254.89999:292 256:11669 257:4983 258:5543 259:26782 259.89999:21481 261:14701 262:42936 263:15054 264:6274 265:32990 266:8838 268:111484 269:55122 269.89999:41284 271:8816 271.89999:7876 273:27683 274:109718 275:44391 277:332454 278:118135 279:57717 280:14397 280.89999:4260 282:778 282.79999:60 283.89999:11944 285:5409 286:6925 286.89999:1418 288:9546 288.89999:7440 291:394839 292:121171 293:65428 294:14305 295:4422 296:724 300:90277 301:23107 302:29383 303:16095 304:16905 305:248764 306:117092 307:392332 308:115556 309:68759 310:14764 310.89999:5059 311.89999:849 312.89999:439 313.79999:3527 315:3987 315.89999:11902 319:6488794 320:2591800 321:1319468 322:281554 323:68556 324:10139 325:1698 325.89999:677 328:19316 329:5423 329.89999:8120 331:35350 332:25293 332.89999:23766 333.89999:15546 335:8141 337:98987 338:29588 339:14518 339.89999:3291 341.89999:31188 343:17406 344:17616 345:6242 345.79999:2107 347:45243 348:17801 349:19344 350:10533 351:6356 351.79999:2186 353:845 353.60001:116 355:10 357.89999:14087 359:6546 359.89999:4305 361.10001:1197 364:28914 365:54592 366:19281 367:8319 368:1676 368.79999:461 369.79999:256 371.89999:263 374:38155 375:3821 376:97890 377:32322 378:15668 378.89999:14097 380:4901 381:6914 382:2221 382.89999:1171 383.89999:266 384.79999:126 387:667 389:9154 390:17007 391:5948 392:3558 392.89999:7985 394:3600 394.89999:2029 395.89999:634 396.89999:243 402:10301 403:4475 404.10001:3573 405:12642 406:6510 406.89999:4037 407.89999:3333 409:3439 409.89999:1565 411:791 411.89999:179 412.60001:245 412.60001:269 414:35 416:355 417:482 417.70001:120 419:589 419.89999:1262 421:3521 422:3453 422.89999:1803 423.89999:856 425:262 430.10001:74 432:5540 433:3206 434:1727 435.10001:754 435.89999:877 437:5356 438.10001:2083 439:1147 440:585 444.79999:93 445.70001:322 448:13498 449:6055 450:4369 451:1311 451.89999:1166 452.60001:535 453.89999:48 461.79999:94 464:29497 465:12495 466:11476 467:4157 468.10001:1776 468.79999:638 469.89999:145 477.89999:26 480.10001:23337 481:10867 482:5761 483:1649 484.10001:497 495:679 496.10001:320 496.79999:199 497.39999:129 521.90002:984 522.90002:2167 524:1740 525.09998:794 526:278 538.09998:1767 539.09998:889 539.70001:453 554:1098 554.90002:449 555.90002:306 7765887 7618478 6588243 808750.3 7739538 7743028 7786673 1199753 7815152 949142 7790317 7361467 7839568 7459004 7739005 7714234 6585137.897 6074553.892 1967129.977 2163719.351 410 8.664 283949.69 240.9 methanolphosphate 0.403 4.825 289520 CAAULPUQFIIOTL-UHFFFAOYSA-N 440 FALSE FALSE FALSE FALSE 71.1 0 42.6 90.2 92.7 89.6 83.9 182.19 85035_T-D145 59:1699 69:262 76.9:1237 79:394 82.8:252 89:2432 89.8:393 90.8:953 91.8:60 97.9:2084 98.9:99 104.8:367 105.9:119 106.8:609 108:131 108.8:310 109.9:203 112.8:286 113.9:58 114.9:436 118.9:1144 119.9:64 120.9:834 121.9:142 122.9:381 124:86 124.9:114 131.8:29 132.89999:6644 133.89999:960 134.89999:2997 135.8:266 136.8:923 137.8:176 138.60001:55 139.8:109 141.8:56 142.89999:95 155.8:154 159.60001:334 162.89999:4139 163.8:572 164.89999:605 166.89999:332 167.8:285 171:24 175.89999:124 176.7:9 177.8:54 178.8:141 180.8:1129 181.7:66 182.89999:347 188.8:8 190:158 192.8:30 194.8:2442 195.8:425 196.7:288 197.89999:47 209:171 209.8:149 210.8:3615 211.8:769 212.60001:433 213.89999:47 221:71 221.8:44 224.8:370 225.60001:252 240.89999:40220 241.8:6482 242.89999:3549 243.8:440 256:2868 256.70001:628 258.10001:314 259:3 289.79999:33 264.3333 45282.67 34158.22 40493.33 2757 39322.67 35392 37674.67 37997.33 333.5555 258.1111 259.1111 251.8889 78.33334 35870.22 41083.55 10091.78076 14356.02615 17380.13211 19437.06694 899 13.049 482762.53 175.9375 methionine 0.639 8.059 483560 FFEARJCKVFRZRR-BYPYZUCNSA-N 340 FALSE FALSE FALSE FALSE 90.9 0 98.3 86 84.6 86.3 89.2 64.59 42786_T-A13 51:0 52:0 53:1 54:206 55:1 57:0 58:1 59:0 59.9:90 61:20878 62:645 62.9:998 63.8:43 64.9:80 65.9:66 67:0 68:84 69:0 69.9:1 71:1 72:0 73:1 74:1 76:0 77:726 77.9:6 78.9:253 79.9:0 80.9:211 82:1007 83:0 84:4983 84.9:0 87.9:1 88.9:0 90.9:434 93.8:61 95:51 95.9:151 96.9:1 98:365 99:0 99.9:4411 100.9:97 101.9:0 102.9:2809 103.8:467 104.9:1995 105.9:127 107.8:64 109.8:0 111.9:0 112.9:0 113.9:2286 114.9:0 115.9:1020 117.9:0 118.9:57 119.8:70 121.7:0 125.9:0 127.9:30515 128.89999:2954 129.89999:655 130.89999:9133 131.89999:6001 132.89999:1 133.89999:646 134.89999:1 135.7:27 136.8:185 143.89999:158 145.89999:518 146.89999:0 147.89999:1 148.89999:1179 149.89999:210 150.8:274 151.7:34 152.8:0 153.89999:247 155.89999:1 157.89999:1 158.89999:1 160:1349 161.89999:209 162.8:124 164.8:22 166.89999:25 167.89999:0 169.89999:423 171.89999:2803 172.89999:575 173.89999:1 175.89999:63982 176.89999:8854 178:5319 178.89999:809 179.8:273 185.8:0 187.89999:949 189.7:1 191.8:65 195.89999:83 196.8:144 200.89999:54 202:1953 202.89999:1099 204.89999:237 206.8:227 207.7:24 208.7:36 210.7:212 211.7:113 212.89999:98 214.7:1 215.8:150 216.89999:18 217.89999:2548 218.89999:6125 219.89999:1517 220.7:316 221.89999:47 222.8:96 228:1 237.60001:87 242.8:330 243.89999:631 244.89999:128 245.89999:453 246.8:0 247.89999:644 248.8:163 249.89999:3377 250.89999:1028 251.8:549 252.8:228 255.89999:1 258:1 258.89999:1 260:0 262.79999:513 263.79999:219 264.70001:170 268.70001:47 270.89999:498 272.79999:94 273.89999:79 274.70001:51 277.70001:512 280.79999:38 281.89999:82 284.70001:133 286.89999:228 293:4414 293.89999:1256 294.89999:647 297.70001:202 298.60001:385 299.70001:193 300.79999:5 313.79999:110 314.60001:4 315.89999:273 327.79999:145 340.70001:88 354.70001:472 355.5:188 356.79999:186 358.60001:98 369.89999:28 372.10001:118 9107.111 233.4444 9332.444 7189.889 622.7778 310.7778 5590.889 7782 11631.44 4923.444 8746.444 2264.111 2907.667 1819 12660.44 227.5556 14157.28363 19541.69947 19763.40806 21935.65055 1192 16.922 637815.5 196.968 methionine sulfoxide 0.708 10.626 637588 QEFRNWWLZKMPFJ-YGVKFDHGSA-N 340 FALSE FALSE FALSE FALSE 83.7 0 98.4 73.9 72.5 71.2 83.3 97.04 08504_C-D145 51:0 52:0 54:0 57:1 58:1 60:0 60.9:1 61.9:0 63:120 63.7:197 64.9:1 65.9:381 67:0 68:1 69:3189 70:6698 71:0 73:1 74:1 75:0 76:0 77.9:1266 79.9:1 82:0 84:1 85:1 86:0 87:0 87.9:1 89:0 89.9:555 90.9:0 91.7:85 93.9:1 98:5733 99:1 99.9:1 100.9:1 101.9:0 103.9:100 104.9:1 105.8:122 106.7:0 106.7:0 107.9:545 110:290 111:0 111.9:0 112.9:0 114:1 114.9:0 116:0 120.9:53 122:72 126:1985 127:0 128:36473 129:3056 129.89999:1 130.89999:1 134:0 134.89999:211 135.89999:0 137:1 137.89999:1 139.89999:17221 140.89999:1 143:683 145.89999:0 146.89999:0 147.89999:0 148.8:157 149.8:87 150.89999:206 151.8:302 153.10001:156 153.89999:110 155:21 156:0 156.8:0 157.89999:1 158.89999:1 159.89999:206 160.89999:0 161.8:68 162.8:140 162.8:140 163.8:0 164.7:163 165.7:1 166.8:1 167.89999:1 168.89999:0 170:1 171.89999:0 174:0 175:1 176:1 176.7:0 177.89999:0 178.8:56 179.7:1 180.89999:511 182:133 182.89999:2153 183.89999:220 186:1 186.89999:1 187.8:1 189:0 189.7:0 190.89999:0 191.7:34 193:84 196:609 197:10528 197.89999:2160 199:508 199.89999:0 200.8:0 201.89999:1291 202.89999:560 204:528 204.89999:376 206.8:0 207.89999:1 211.7:0 213.7:1 215.89999:1 217:3647 217.89999:5726 218.89999:1453 219.60001:484 219.60001:622 220.89999:237 221.89999:22 222.89999:127 223.7:144 224.89999:260 225.89999:328 226.89999:1 228:35 228.89999:1 229.8:1 230.89999:0 231.89999:0 232.8:67 235.60001:1 237:87 238.2:132 242:35 243.89999:25 244.89999:0 245.89999:48 246.8:67 247.89999:1619 248.8:279 249.8:229 251:105 252.60001:112 254.8:1 255.89999:19 257.89999:0 258.89999:1 259.60001:1 261.79999:72 262.79999:195 264.70001:121 265.29999:174 266.60001:67 269.79999:0 272.89999:0 275.70001:832 275.70001:832 277.10001:287 277.89999:2028 278.79999:706 279.89999:334 282.79999:1 283.70001:135 289:1 289.70001:1 291.79999:33 298.89999:841 300.89999:18672 301.89999:3651 302.89999:2254 303.60001:363 303.60001:440 304.79999:166 306.89999:95 308:116 311:34 312:0 314:1043 314.79999:235 318.20001:25 329.89999:129 330.89999:66 335.89999:80 340.70001:141 344.89999:907 345.89999:215 346.70001:1 348.89999:0 351:204 356.5:212 356.5:154 362:1 363.10001:0 366.10001:368 366.89999:171 374.89999:486 375.79999:48 376.89999:159 398.79999:63 417.89999:353 418.79999:133 436.70001:56 36246.67 56824.11 24652.11 39755.33 26647.33 33146.22 26058.22 40290 32902.33 26352.33 59644.67 47440.11 25869.33 23583.45 26226.33 13918.89 23536.19016 23935.294 13553.93716 9928.878692 13 6.003 157507.06 170.9955 methylamine 0.347 2.635 158102 BAVYZALUXZFZLV-UHFFFAOYSA-N 340 FALSE FALSE FALSE FALSE 92 0 100 86.7 78.8 91.8 100 15096.2 84706_C-A13 51:3144 52:1 53:11647 53.9:21033 55:31314 56:61166 57:115251 58:59306 59:170623 60:15150 61:5451 63:93116 64:351786 66:8156 66.9:4767 67.9:10090 68.9:88252 69.9:85764 71:117861 72:54776 73:1064543 74:89434 75:11 77.1:14151 78:584934 78.8:68208 79.8:1612 80.9:3000 81.9:4228 83:13282 83.9:37199 84.9:44904 85.9:34957 86.9:7589 87.9:4218 88.9:2450 89.9:401 91:932 94.8:1094 95.9:14210 96.9:19782 98:11663 99:133459 99.9:170838 100.9:26190 102.9:3400 103.9:685 104.9:1065 105.9:273 106.9:957 107.8:316 108.9:1014 110:6252 110.9:87497 111.9:14422 112.9:31279 113.9:17713 114.9:11263 115.9:9485 117:3546 117.9:546 118.9:1974 119.9:165 120.9:1161 121.9:265 122.9:951 123.8:1352 124.9:8513 125.9:9589 126.9:9737 127.9:3345 128.89999:8630 129.89999:104641 130.89999:19674 131.89999:7574 132.89999:2506 133.89999:0 135:2137 135.89999:798 136.89999:1571 137.89999:4069 138.89999:20289 139.89999:4696 140.89999:90684 141.89999:14107 142.89999:9904 143.89999:1402 144.89999:101 145.89999:9233 147:12957 148:2591 148.89999:1418 150.89999:23682 151.89999:3216 153:2017 154.89999:151275 155.89999:26421 156.89999:75869 157.89999:11146 159:4665 160:675 160.89999:550 161.89999:1937 162.89999:66 163.8:189 165.8:1546 166.8:199 167.89999:357 171:4940054 171.89999:966233 172.89999:422551 173.89999:46617 174.89999:7587 175.89999:15603 176.89999:2613 177.89999:1639 179.89999:49 181.7:256 182.8:408 183.89999:520 186:312487 186.89999:57792 187.89999:24085 188.89999:2856 189.8:800 190.89999:969 191.89999:999 192.89999:308 194:48 194.89999:0 196:17 197.8:130 199.89999:59 200.7:195 201.7:74 203.89999:5830 204.89999:1243 206:634 206.8:1 207.8:612 208.8:1 209.89999:152 210.8:100 213.8:303 215.89999:164 216.89999:7 218:50 219.89999:45 222.8:163 223.7:197 223.7:209 232.8:157 234.8:177 236.8:154 243.8:339 244.60001:142 246.89999:109 253.8:75 257.89999:2820 258.79999:472 259.79999:357 261.79999:19 262.89999:128 264.70001:124 279.70001:31 294.70001:29 342:82 353.5555 4.411111069 4.411111069 4.411111069 4.411111069 4.411111069 4.411111069 4.411111069 4.411111069 497.8889 441.3333 563.7778 181.2222 396.7778 4.411111069 4.411111069 1719809.892 1980322.335 2628669.604 3145428.436 1140 16.319 613940.69 203.9229 methylhexose 0.819 10.268 616058 QRAXLHLYZJCAKB-UHFFFAOYSA-N 440 FALSE FALSE FALSE FALSE 80.2 0 90.2 73.6 55.9 89.2 95.7 19.6 38057_C-B22 50.9:130 52:133 52.9:1 54:550 55:1 56:0 57:0 58:102 58.9:1983 59.9:249 61:3847 61.8:173 62.8:114 63.9:25 65:0 66.1:129 68:1 68.9:0 70:0 71:1 72:1590 73:62834 74:5875 74.9:6396 75.9:548 76.9:309 79:1 80:139 81.9:0 83:0 84:5862 85:1 86:527 86.9:423 87.9:5622 89:751 89.9:465 90.9:785 91.8:182 92.8:126 93.8:1 95:6726 96:31341 97:1173 97.9:292 98.9:1957 99.9:757 100.9:3093 101.9:632 103:3356 103.9:445 104.8:160 105.8:1 106.8:0 108:103 109:0 110:25 112.9:637 113.9:1 114.9:1133 115.9:4075 116.9:3297 117.9:619 118.8:553 119.8:0 120.9:72 121.9:823 123:0 123.9:485 125:0 125.9:1 127:1 128:248 128.89999:7759 129.89999:3520 130.89999:1790 131.89999:335 132.89999:3345 133.89999:0 134.89999:127 135.89999:110 136.8:1 137.7:0 139.8:86 140.89999:174 141.89999:154 142.89999:1622 143.89999:1056 144.8:624 146.89999:16341 147.89999:2509 148.89999:1604 149.8:35 150.89999:1 151.89999:123 152.89999:8 153.60001:73 153.60001:73 155.8:84 156.89999:641 157.8:1 158.89999:1066 160:100 160.89999:724 161.7:127 162.89999:323 164.8:1 165.89999:138 166.89999:17 167.89999:1 169:267 169.89999:50 170.8:126 172:196 172.89999:262 173.89999:672 174.89999:1147 175.8:116 176.8:699 178.7:63 179.89999:1 180.89999:60 181.89999:58 182.8:118 183.8:8 184.89999:114 186:31 186.89999:230 187.8:82 188.89999:2414 189.8:845 190.89999:4872 191.89999:1066 192.8:671 193.60001:30 194.8:1 196.89999:103 197.89999:1 198.89999:1 199.8:75 200.7:0 201.89999:123 202.8:627 203.89999:40338 204.89999:9685 205.89999:7206 206.89999:1520 207.89999:225 208.8:1 209.8:0 210.8:96 211.7:227 212.8:1 213.8:0 214.8:473 215.89999:664 216.89999:13805 218:1489 218.89999:1582 219.89999:164 220.8:1028 221.7:72 221.7:213 222.8:142 224.89999:1 225.89999:453 226.7:202 227.7:107 228.89999:505 229.8:573 230.89999:1282 231.8:411 232.8:293 234.10001:76 234.89999:27 238.89999:152 239.89999:95 241.7:55 243:451 243.8:89 244.89999:217 245.7:98 246.8:287 247.8:156 251.8:95 254:153 256.89999:759 257.70001:117 258.79999:469 259.79999:233 260.79999:71 262.5:72 264.79999:86 265.89999:94 266.89999:28 268:1 269.89999:0 270.79999:376 272:113 272.89999:64 274.79999:76 276.10001:85 276.79999:195 280:30 280.79999:197 281.89999:0 282.89999:233 284.70001:123 286.60001:125 287.89999:65 291:840 292:1657 292.79999:1188 294:532 294.70001:1 295.79999:726 296.79999:240 297.89999:329 298.79999:429 302.89999:259 303.60001:67 304.89999:1079 305.89999:942 306.89999:0 307.89999:359 308.70001:94 312.79999:26 313.79999:115 314.79999:192 315.60001:90 316.89999:1 317.60001:61 319:1037 319.79999:339 320.70001:636 321.70001:273 322.79999:223 326.60001:114 327.70001:140 328.89999:72 330.79999:130 332.10001:80 332.89999:334 333.79999:184 334.79999:158 340.39999:72 342.70001:185 345:251 346.79999:677 347.60001:233 348.60001:242 349.79999:141 354.89999:69 356.70001:29 360.70001:417 361.79999:110 362.79999:179 363.79999:73 364.70001:185 366.5:241 366.5:307 433.89999:305 434.79999:389 436.89999:6846 437.89999:2700 439:1570 439.79999:312 440.89999:230 64861.55 8854.777 13680 15781.11 14211.44 17229.22 2886.556 23436.67 26994.22 102900.8 4447.556 11437.78 4444.222 83710.55 5742.667 10748.44 34714.85671 26242.67041 30937.77782 29081.98547 480 9.232 309262.16 146.9706 methylmalonic acid 0.486 5.194 311617 ZIYVHBGGAOATLY-UHFFFAOYSA-N 440 FALSE FALSE FALSE FALSE 70.7 0 69.2 71.7 68.7 75.8 72.7 11.79 38057_C-B22 52:25 57:2758 65.9:1167 66.8:288 67.9:518 78:198 80.9:441 83.9:1463 84.9:1216 86:1213 86.9:430 87.9:1563 92.9:208 98:427 99.9:4037 100.9:881 101.8:103 102.8:224 111.9:32 112.9:356 113.9:71 115:1062 116.9:4087 117.9:1215 118.9:402 128.89999:1619 130.89999:2022 132.89999:3083 141:202 141.89999:204 145:3486 145.89999:616 146.89999:20917 147.89999:2801 148.89999:2014 150.8:152 152.89999:157 156.8:462 159.89999:47 161:41 162.8:9 173.89999:296 175:162 175.89999:70 187.89999:0 188.89999:0 189.8:81 190.8:563 191.8:53 201.8:267 204.7:25 215.89999:0 216.8:40 217.89999:1164 218.89999:808 220.8:0 222.89999:38 239.60001:65 246.89999:931 247.89999:231 248.7:174 259.79999:13 15041 131497.8 63781.78 70937.45 1550.778 80379.22 55284.89 70563.55 71149.66 13624 13407.89 31538.33 18889.67 29160.78 416272.3 66721.89 50620.8893 48230.31026 69490.51269 29513.66466 1433 19.247 730944.88 305 myo-inositol 0.778 12.184 731021 CDAISMWEOUEBRE-UHFFFAOYSA-N 340 FALSE FALSE FALSE FALSE 89 0 99.9 81.8 81.1 76.9 93.3 1917.31 38545_T-A13 65.1:10702 81:51224 85.1:28318 87.1:29569 88:11058 89:6273 95:1341 99:34953 100:1 101:85463 102.1:12167 103:679108 104:16099 105:25919 106.1:128 109:13594 111:38672 112.1:6163 113:54168 115:40239 116:831 117:2076 118:16585 119:5994 120:8590 121:3360 123:641 125:11603 126:3412 127:57117 129:1143570 130:92140 131:420227 133:1134840 134:38779 135:103573 136:9759 137:63 138:1037 139:9811 140.10001:4248 141:26832 142:33342 143:45332 144:1542 145:860 147:5092246 148:55458 149:64103 150:5337 151:11545 153:16864 154:5518 155:4685 156:555 157:9043 158:13167 159:36198 161:27510 162:5521 163:14767 163.89999:3878 165.89999:1345 167:2405 167.89999:821 168.89999:10002 170:5598 170.89999:10390 172:3766 172.89999:28181 174:14095 175:9447 176:6605 177:51494 178:12476 178.89999:10228 179.89999:2127 181:13811 182:1220 182.89999:8144 184:1445 185:9224 187:15781 189:81072 191:3757932 192:233807 193:145422 194:32334 194.89999:11246 195.89999:2004 196.89999:3857 197.8:773 199:7273 200.89999:2880 202.10001:9666 204:1944353 205:170632 206:102450 206.89999:199433 207.89999:40749 208.89999:22912 209.89999:3561 211.89999:1112 213:8028 213.89999:1954 215:26925 217:6264426 218:568474 219:401285 220:106042 221:181570 222:81186 223:43707 223.89999:12535 224.89999:5777 227:8212 227.89999:5436 229:36668 230:166866 231:39577 232:19731 232.89999:13691 233.89999:3068 235:13121 236:6474 237:7841 237.8:1971 238.89999:20655 239.8:3440 240.89999:5876 243:73162 244:27710 245:33390 246:11827 246.89999:7380 248.89999:2058 249.89999:1489 250.89999:3292 251.89999:964 253:813 253.89999:2633 254.89999:21701 256:6532 256.89999:8312 257.89999:2385 258.89999:2145 259.89999:699 260.89999:2916 262:482 263:8216 265:332273 266:205616 267:173787 268:39465 268.89999:6810 270:6261 271:26226 272:5702 272.89999:4506 274:1774 274.89999:5761 276:3237 277:20572 278:49838 279:7424 280:7559 280.89999:7191 284.89999:439 286.89999:1571 289:7106 291:792982 292:35992 293:148753 294:51886 295:31389 296:7784 296.89999:2395 298:573 300:110 301:4554 301.89999:3369 303:27481 305:6343330 306:1108472 307:945873 308:251128 309:68711 310:10318 310.89999:2119 311.89999:479 312.89999:3703 315:3531 318:377051 319:947185 320:627577 321:192947 322:53370 323:8897 323.89999:1332 325:355 327:8337 327.89999:4957 328.89999:12490 330:7275 331:7838 332:9956 333:8837 333.79999:2980 336:458 336.79999:419 338.10001:1 339:388 339.79999:185 340.89999:1945 342:6752 343:104334 344:31152 344.89999:22688 346:14738 347:4999 348:1025 348.89999:663 349.60001:336 351.89999:2087 353:1695 354:899 354.89999:406 356.89999:623 358.89999:5751 360:2691 360.89999:2453 361.89999:1236 362.89999:926 365:15306 367:167300 368:152654 369:102734 370:19553 371:8229 371.89999:1924 373.70001:292 373.70001:146 376.89999:3160 377.89999:4032 379:49128 380:331 382:3129 383:908 383.79999:265 384.79999:124 386.70001:197 391:973 393:54356 394:86187 395:71560 396:22745 397:5716 398:917 400.89999:1153 402:604 404:7462 406:34874 407:35346 408:6706 409:4915 410:1177 410.89999:590 414.70001:494 415.89999:711 417:26416 418:19189 419:109983 420:28015 421:1873 422:6090 423:2001 423.89999:407 424.89999:138 432:862600 433:106531 434:114724 435:84522 436:26881 437:11167 437.89999:2502 439.60001:310 440.89999:188 442:49 442.89999:206 448:183 448.89999:1208 449.89999:590 451.89999:154 452.79999:576 454.79999:159 455.79999:56 462.79999:236 463.70001:239 464.89999:66 480.10001:1646 480.89999:1177 481.89999:613 491.60001:68 493:1325 495:722 504.5:268 507:301823 508:145277 509:24574 510.10001:23075 511:4902 512:1147 513:51 513.79999:95 519.90002:298 521:1411 522.09998:1680 523.09998:8164 524.09998:3353 525.09998:1649 526.09998:572 538:170 597:4687 599:1834 1054884 826083.6 788608 972812.8 923896.9 576.3333 843216.9 862422.6 1116238 840.8889 895025.8 1267819 1439232 970752.7 927594.7 586958.3 3851536.03 3465309.484 2616213.332 2648642.486 1186 16.857 635272.69 73 myristic acid 1 10.574 634414 TUNFSRHWOTWDNC-UHFFFAOYSA-N 340 FALSE FALSE FALSE FALSE 84.5 0 99.8 74.2 59.3 83.7 100 232.6 42113_C-D145 51:5775 52:3015 53:39572 54:38138 55:609444 56:116389 57:252412 58:64041 59:78224 60:28105 61:138295 62:9572 63:6123 64:415 65:6813 66:3955 67:94107 68:25748 69:243283 70:51489 71:62281 72:100157 73:2372138 74:260720 75:1806272 76:137620 77:94005 78:5853 79:29649 80:5753 81:89165 82:16053 83:106299 84:55244 85:41287 86:24623 87:19933 88:16441 89:52095 90:9506 91:17501 92.1:2703 93:22340 94:3727 95:81895 96:10553 97:74571 98:71097 99:41894 100:5699 101:32240 102:5432 103:9211 103.9:1973 105:57647 106:5130 107:12736 107.9:1929 109:24790 110:5112 111:32890 112:19813 112.9:7831 114:2377 115:18413 115.9:144104 117:1842893 117.9:185324 118.9:79698 120:4137 121:10761 122:1561 123:5971 124:2207 125:8367 126:3250 127:5021 128.89999:845847 129.89999:111018 130.89999:252524 132:819237 133:145081 133.89999:40202 135:10432 136:1659 137:1523 138:1393 139:3814 140:2069 140.89999:4202 142:1053 143:53967 145:461863 146:60317 146.89999:20055 147.89999:2007 149:3342 149.89999:456 150.89999:1553 152:477 153:3256 154:7446 155:5010 156:276 157:20048 157.89999:1907 159:43815 159.89999:6561 160.89999:2272 161.89999:336 162.89999:1220 164:623 164.89999:443 166:1156 167:7143 167.89999:2004 169:1299 171:39090 171.89999:6308 173:12393 175:2262 175.89999:1020 176.89999:1130 177.8:264 178.89999:413 179.8:90 181:4415 182:2053 183:229 185:47772 186:6559 186.89999:37321 188:8746 188.89999:1763 189.89999:1318 191:583 191.89999:806 192.89999:248 193.89999:200 194.89999:859 195.89999:106 199:17919 199.89999:1629 201:86007 202:15389 203:3999 205.89999:15624 206.89999:4652 207.89999:1036 208.89999:1009 210:1144 211:3257 211.8:567 213:11203 213.89999:1922 215:13727 215.89999:2835 216.89999:327 221:2736 221.89999:702 222.8:334 223.8:95 225:110 227:8086 227.89999:1813 229:6108 230:1292 230.89999:419 231.89999:395 232.8:403 233.8:234 234.8:33 235.89999:2656 236.8:446 237.89999:340 238.8:363 241:63536 242:13499 243:16053 244:3704 244.89999:1254 245.89999:170 246.89999:238 248.8:127 250.8:221 254.10001:7 255:7579 257:55991 258:12635 258.89999:3571 259.89999:797 260.79999:210 261.89999:29 262.70001:128 264.79999:190 266.89999:316 267.70001:123 269:1660 271:11544 272:2981 272.89999:772 273.70001:40 276.79999:157 277.79999:302 278.79999:180 279.79999:79 280.79999:1160 281.89999:337 281.89999:337 283:3017 285:1231008 286:285643 287:75905 288.10001:10437 288.89999:966 290.89999:76 295:776 295.70001:292 296.89999:200 297.79999:69 299:6008 300.10001:71001 301:16675 302.10001:4530 302.89999:761 305.89999:202 306.79999:437 307.89999:238 309:188 311.10001:45 311.60001:42 313.29999:63 314.60001:69 317.79999:35 320.70001:362 321.79999:79 322.60001:231 324.79999:72 325.89999:69 326.60001:303 327.89999:112 330.89999:17 332:11 334.70001:221 340.70001:326 341.60001:80 344.79999:83 346.79999:106 348.79999:186 355:287 355.89999:246 359.70001:11 360.70001:6 362.70001:192 363.79999:183 368.89999:524 369.79999:215 371:86 372.70001:126 399.39999:32 400.70001:19 402.70001:171 406.79999:354 414.60001:73 428.70001:50 434.79999:17 436.60001:9 2587604 2279541 1595112 2507488 2241120 1920415 3398167 3687950 2582360 3057664 3902109 3572146 3207617 2800214 2428153 2365463 2881961.997 2768690.798 594888.9761 704967.5986 1621 22.166 848172.5 289.9 N-acetyl-5-hydroxytryptamine 0.417 14.102 846132 MVAWJSIDNICKHF-UHFFFAOYSA-N 440 FALSE FALSE FALSE FALSE 89.2 null 91 88 81.6 92.3 98.6 435.95 38182_C-A13 51:71 52:157 52.9:418 54:1445 55:2491 56:15030 57:812 57.9:3301 59:6762 59.9:944 60.9:2925 62:226 62.9:89 63.8:88 64.9:80 66:229 66.9:48 68:2565 69:2324 70:2127 71:2710 72:10117 73:188176 74:17453 75:36848 75.9:2476 76.9:1865 77.9:505 78.9:227 79.9:558 80.9:617 81.9:1262 83:3356 84:3366 85:1708 85.9:4089 86.9:1324 88:3314 88.9:2244 89.8:525 91:513 91.9:151 92.9:137 94:192 95:1258 95.9:1143 96.9:10164 98:13833 99:1081 100:3284 100.9:4589 101.9:1906 102.9:74548 103.9:7123 104.9:4205 105.9:212 106.9:170 107.9:142 108.9:440 110:334 111:5447 111.9:1456 113:1020 114:2987 114.9:1519 115.9:17579 116.9:14141 117.9:2405 118.9:1287 119.8:65 120.9:268 123:278 124.9:635 127:379 127.9:3568 128.89999:1361 129.89999:4355 130.89999:1913 131.89999:1316 132.89999:4038 133.8:594 134.89999:646 135.89999:6 137:362 137.8:172 138.89999:227 141:549 141.8:329 142.89999:821 143.89999:25644 144.89999:3752 146:2324 146.89999:11740 147.89999:2232 148.89999:3450 149.8:523 150.8:470 151.8:148 152.89999:609 154:34 154.89999:701 155.89999:1060 156.89999:537 157.89999:9893 158.89999:1538 159.89999:5118 160.89999:925 161.8:450 162.89999:259 163.8:47 164.8:48 165.8:17 166.60001:226 168.89999:212 169.89999:340 171.89999:5200 172.89999:3284 173.89999:8752 174.8:1378 175.89999:599 176.8:917 177.89999:120 178.8:125 180.7:42 182.89999:327 185.10001:520 185.89999:10691 186.89999:3485 188:4417 188.89999:697 189.89999:440 190.89999:1052 191.7:33 192.8:245 194.89999:132 196.8:169 197.89999:4 198.89999:911 199.8:658 200.89999:1271 201.89999:933 202.8:587 205:449 205.8:3 206.8:465 208.89999:191 210.8:333 211.89999:43 212.89999:2948 213.89999:3700 214.89999:3931 215.89999:4949 216.89999:1678 217.89999:956 218.89999:694 219.8:273 221.8:41 224.89999:232 226.89999:2108 227.89999:362 228.89999:7998 229.89999:896 230.89999:518 231.89999:37681 232.89999:7608 233.89999:3685 234.89999:475 235.7:39 236.89999:286 238.7:66 240.7:226 241.89999:56 242.89999:221 244:300 244.8:251 245.8:778 247.8:889 248.89999:188 250.10001:145 250.10001:67 252.7:34 254.8:16 256.79999:337 257.70001:203 258.79999:298 259.89999:796 260.89999:169 261.89999:20625 262.89999:4594 263.79999:1775 264.79999:219 266.70001:25 267.79999:80 268.79999:8 270.79999:121 271.89999:149 272.89999:210 273.89999:1175 275.89999:13609 276.89999:7127 278:2901 279:894 280.70001:4 284.89999:163 285.89999:4116 286.79999:98 287.89999:2165 289.89999:246614 290.89999:55358 291.89999:24006 292.89999:3814 293.79999:853 298.79999:475 299.79999:8 300.79999:108 301.79999:1242 302.89999:8691 303.89999:20485 304.89999:5008 305.89999:1963 306.89999:296 307.89999:3 313.89999:13 314.79999:381 315.70001:107 316.79999:81 317.70001:232 318.89999:131 319.79999:17 321.70001:35 325.89999:68 326.79999:117 328.79999:694 329.79999:219 330.89999:1768 331.79999:1043 332.89999:435 333.89999:415 334.70001:48 336.79999:244 342.70001:410 343.89999:746 344.89999:1327 345.70001:502 345.70001:503 346.70001:517 349.60001:277 350.89999:167 354.79999:485 355.79999:318 356.89999:889 357.70001:366 358.79999:3043 359.89999:924 360.70001:379 361.60001:161 363.70001:228 364.89999:233 365.70001:115 368.79999:195 372.70001:195 374.89999:344 375.79999:94 377.79999:422 378.79999:205 379.89999:72 388.89999:114 391.89999:168 404.89999:113 414.60001:40 415.70001:117 416.89999:50 431.79999:186 432.89999:191 433.70001:696 434.70001:285 436:212 444.79999:288 446.10001:146 446.89999:547 447.89999:393 448.89999:1398 450:420 450.89999:388 450.89999:557 458.79999:54 460.20001:53 462.89999:15539 463.89999:5704 464.89999:2810 465.60001:707 466.89999:140 472.60001:212 472.60001:216 474.79999:1739 475.70001:584 476.79999:312 477.60001:46 489.79999:706 491:221 491.79999:44 537:324 537.90002:91 546.90002:94 565:3151 565.90002:1520 566.90002:732 567.90002:202 579.90002:6011 581:2954 581.79999:1659 582.90002:490 269.1111 236.4444 286.7778 323 299.6667 298.1111 291.8889 373.3333 375.4445 612.5555 522.8889 163.4444 121 168.7778 314.6667 126.8889 52369.23083 29068.48758 189159.1774 159677.8039 1466 19.666 747802.44 318.9308 n-acetyl-d-hexosamine 1 12.439 746341 OVRNDRQMDRJTHS-FMDGEEDCSA-N 340 FALSE FALSE FALSE FALSE 80.5 null 87.4 75.9 59.9 92.1 91.4 15.44 42786_T-A13 51.9:160 59:848 60.9:323 62.8:32 65:230 66:12 67:5 68:346 72:1208 73:72071 74:0 83:378 84:291 87:1779 88.9:2756 90:380 90.9:242 95:2488 97:2005 97.9:417 99.9:552 100.9:747 102:258 102.9:15707 103.9:1552 104.9:1120 106:4 107.9:41 109.9:299 111:386 114:234 115:555 115.9:902 116.9:4497 117.9:0 118.9:606 121:470 123:490 124:164 125:898 125.9:416 127:1 128:184 129:4278 131:1443 131.8:493 132.89999:5814 133.8:608 135:1674 135.89999:217 136.89999:458 139.10001:115 140.8:0 142:140 143:7864 145.89999:542 146.89999:14586 148:2360 148.89999:1974 150.89999:170 152.89999:108 154:245 154.89999:126 156:232 157:4062 157.89999:341 158.89999:307 159.8:342 160.89999:482 161.8:249 162.89999:707 163.89999:33 165.8:95 166.89999:342 167.89999:106 169:1 169.8:1 170.89999:652 172:2606 172.89999:1149 177:577 177.89999:182 179:874 179.8:612 181.89999:51 182.89999:120 185:1555 187.8:188 188.89999:2183 189.8:844 190.89999:1460 192:327 193.8:56 195:358 196:219 197.89999:436 199:4637 200.89999:325 201.89999:321 202.8:233 203.89999:2245 204.89999:17038 205.89999:3188 206.89999:1429 208:174 208.89999:320 209.89999:212 210.8:273 213:1547 214.89999:117 215.89999:489 216.89999:7751 217.89999:2267 218.89999:917 219.89999:370 222:224 222.89999:311 224:256 225:130 225.8:245 227:1262 227.89999:516 228.89999:1910 229.89999:848 230.89999:1806 231.89999:120 232.89999:122 233.89999:143 234.8:304 237:181 237.89999:200 238.7:111 240:81 241:963 242:774 242.89999:195 243.7:268 244.89999:620 246.89999:262 247.89999:108 249.89999:179 255:10148 256:1249 257.89999:244 258.70001:249 259.79999:370 261.89999:934 262.79999:518 263.89999:215 264.89999:478 265.89999:532 267.10001:3793 268:534 269:2347 272.89999:32 273.89999:302 276:193 276.89999:544 277.79999:298 279:100 279.70001:18 281.79999:120 283.79999:117 287.79999:320 288.70001:207 289.89999:0 290.79999:562 292:267 292.89999:227 298.10001:14209 299.10001:1160 300.89999:133 301.79999:389 303.10001:105 304.89999:1037 305.89999:409 306.79999:976 307.89999:748 308.89999:422 309.79999:225 310.89999:115 311.79999:87 313.79999:1 314.79999:283 315.79999:173 318.89999:20293 319.89999:6460 320.89999:3280 321.89999:717 322.89999:321 324.79999:158 328.79999:9 329.60001:283 329.60001:269 331:105 331.79999:380 332.79999:247 333.89999:635 334.79999:410 335.89999:203 336.79999:194 337.70001:295 337.70001:295 338.70001:43 339.89999:164 341.79999:166 343.70001:209 345.79999:118 347.70001:177 351.70001:0 352.70001:37 353.79999:1 355.70001:127 356.79999:98 358.89999:8 359.60001:38 360.70001:71 361.89999:196 362.60001:17 363.70001:190 364.60001:186 366.89999:97 368.89999:0 371.70001:78 375.70001:277 377.20001:106 377.79999:51 379.89999:418 380.79999:40 381.5:25 381.5:164 382.79999:89 385.89999:77 389.70001:62 392.79999:4 393.89999:49 400.60001:72 401.60001:1 402.89999:129 403.89999:115 405:129 420.70001:222 421.5:150 433:83 435.60001:6 436.79999:370 439:137 439.89999:54 440.60001:121 456.60001:134 494.70001:35 4083.333 5177.444 3836.222 5004.778 3909.778 3896.889 5020 4355.778 4577.222 3421.222 6380.889 4966.778 6716.222 3988 4523.444 4300 7838.99416 7858.022856 4072.922311 5276.332414 1438 19.302 733153.25 73 N-acetyl-D-mannosamine 0.389 12.198 731858 OVRNDRQMDRJTHS-ZTVVOAFPSA-N 340 FALSE FALSE FALSE FALSE 82.3 0 85.9 79.9 66 91.3 98.9 13.99 42113_C-A13 51:166 51.9:653 52.9:522 54:656 55:1762 55.9:1522 57:1779 57.9:789 59:2602 60:545 60.9:774 61.9:92 62.9:166 64:31 64.8:59 66:339 67:574 68:373 69:1001 71:558 71.9:2563 73:99947 74:7396 74.9:10306 75.9:9 76.9:697 77.9:619 79.9:392 80.9:861 81.9:718 83:471 85:888 86:695 87:8579 87.8:690 89:1484 90:197 91:386 91.8:128 92.8:234 93.9:303 95.9:0 96.9:397 98:770 99:1057 99.9:914 100.9:1478 101.9:407 102.9:6238 103.8:617 104.8:596 106:121 106.9:238 107.8:40 108.9:196 109.9:613 110.9:359 111.8:103 113:673 113.8:625 114.9:611 115.9:599 116.9:7099 117.9:683 118.9:1029 119.8:106 120.9:146 121.9:135 123:249 123.8:249 124.9:322 125.8:398 126.9:460 127.9:310 128.89999:7030 129.89999:1991 130.89999:1717 132:252 132.89999:2844 133.89999:197 134.89999:345 135.8:264 136.89999:434 137.8:122 138.7:68 139.7:368 140.89999:661 141.8:51 143:1064 143.89999:1449 146:514 146.89999:20780 148:4921 148.89999:1775 149.8:248 150.8:238 151.89999:98 152.7:365 153.89999:429 154.89999:588 155.89999:695 156.89999:2261 157.89999:1494 158.8:525 160:536 162.89999:182 163.8:321 164.7:173 165.89999:139 166.8:142 167.8:315 168.89999:614 169.8:890 170.89999:1923 171.89999:763 172.89999:5676 173.89999:1546 175:781 176.8:129 178.89999:283 180:191 180.8:46 181.89999:512 182.89999:304 183.89999:467 184.89999:710 186:772 187:161 187.8:36 187.8:36 188.89999:1990 189.89999:538 194.7:50 196:401 197.89999:53 199:326 200:736 200.89999:1153 202:7296 203:1792 203.89999:621 205:12717 205.89999:2450 206.89999:1500 207.60001:0 208.8:114 209.8:131 210.8:295 211.8:188 212.89999:1452 214.89999:486 215.8:322 216.89999:7563 222.60001:3 224.89999:270 225.7:246 226.89999:534 228:165 229:704 230.89999:1869 231.8:517 232.8:209 233.8:1 234.5:170 235.89999:176 237:279 237.8:477 239:389 240.8:639 241.89999:363 242.89999:633 243.8:264 245.89999:599 246.8:94 247.89999:198 249:66 250.60001:148 251.7:71 252.7:109 254.8:1025 255.89999:377 256.89999:24 258.60001:187 258.60001:196 259.79999:5 260.89999:1125 261.70001:316 262.79999:195 263.70001:268 268.70001:454 269.89999:123 270.79999:364 272:77 273.79999:1827 274.79999:527 275.79999:191 276.79999:384 277.89999:274 278.89999:112 280.70001:173 281.89999:102 282.70001:109 284:193 284.89999:778 285.79999:283 286.79999:250 287.70001:65 288.79999:90 289.60001:15 290.89999:654 292.89999:472 294.89999:63 295.70001:170 296.70001:65 298.89999:239 299.79999:52 300.89999:211 301.70001:221 303:162 303.70001:70 309.79999:10 311:302 311.79999:259 312.89999:180 313.79999:9 314.79999:28 315.60001:118 316.79999:257 318.89999:8878 319.89999:1812 320.89999:1326 321.89999:160 322.70001:100 324:100 325:195 325.79999:306 330.89999:233 331.89999:228 332.89999:1645 333.79999:461 334.70001:278 336.79999:21 339.79999:211 340.79999:333 341.89999:60 342.79999:122 343.89999:129 344.89999:56 345.79999:311 352.79999:791 353.70001:262 353.70001:325 354.89999:243 357.70001:343 362.79999:129 364.5:97 365.79999:114 368.89999:898 369.70001:116 370.70001:105 381.89999:210 382.79999:278 383.89999:177 385:50 391.60001:325 405.60001:69 416.79999:382 417.70001:91 441.79999:651 442.79999:179 443.79999:269 444.89999:161 455.89999:537 456.89999:719 457.89999:408 459:125 460.10001:213 522.70001:456 523.90002:88 63611.11 39728.33 56255.89 47536 40727.67 60231.33 117312.1 51988.67 74083.34 85177.11 67427.66 43295.45 70283.89 98339.11 51802.78 36030.67 510837.9778 763577.4028 1446799.166 1914656.361 1420 19.102 725093.5 73 N-acetylgalactosamine 0.986 12.093 725570 OVRNDRQMDRJTHS-JAJWTYFOSA-N 340 FALSE FALSE FALSE FALSE 87.4 0 96.9 81 69.6 91 95.3 12.03 42907_T-A22 51:232 53:252 54:338 55:2055 56:952 57:582 58:875 59:2006 59.9:269 61:778 61.9:149 63.7:53 64.9:312 65.9:157 67:508 69:850 69.9:149 71:718 72:1582 73:63467 74:6713 75:9493 75.9:1128 76.9:627 80:299 80.9:513 81.9:266 82.9:517 84:223 85:590 87:5384 87.9:978 88.9:1899 90:288 90.9:625 91.7:139 92.9:182 93.8:318 94.9:465 95.9:280 96.9:9 97.9:177 98.9:1426 100:3833 100.9:1552 101.9:1376 102.9:6093 103.8:513 105:690 105.7:127 108.9:274 109.9:379 110.9:9 112:8 112.9:569 113.9:380 115:824 115.9:3120 116.9:5009 117.9:938 118.9:538 119.9:228 120.9:388 121.8:279 122.9:121 123.9:239 124.9:132 126:71 126.9:644 127.9:1139 128.89999:7669 129.89999:2165 130.89999:2040 131.89999:1383 132.89999:2946 133.89999:591 134.8:830 135.89999:199 136.89999:275 138:116 138.89999:122 140.89999:335 141.89999:856 142.89999:2247 144:1127 145:827 146:1136 146.89999:14962 147.89999:2593 148.89999:2325 150:54 150.8:312 151.89999:91 152.8:234 153.89999:643 155:674 155.89999:305 157:1577 157.89999:1274 158.89999:720 159.89999:840 161:468 161.89999:54 162.8:255 163.7:231 164.8:82 166.89999:255 168.89999:540 169.89999:820 170.89999:2135 171.8:1024 172.89999:3287 174:592 174.89999:1950 175.8:929 176.8:596 177.8:494 178.89999:346 179.8:170 181.89999:66 182.89999:471 183.89999:182 184.89999:141 185.89999:868 186.8:254 187.89999:940 189:2626 189.89999:1102 190.89999:680 191.8:393 192.89999:596 193.8:131 195:90 195.8:190 196.7:116 198.8:169 199.89999:810 201:1643 202:5887 202.89999:1339 203.89999:2063 204.89999:10110 205.89999:2416 206.89999:1072 208:293 208.8:226 209.60001:224 209.60001:258 212.89999:860 213.8:352 214.89999:426 215.8:329 217:2950 218:999 218.89999:662 219.7:231 220.89999:409 221.89999:150 222.7:308 223.89999:91 224.8:22 225.8:170 227:246 227.7:266 228.8:594 229.8:119 231.8:203 232.89999:242 234:165 236.8:340 237.89999:258 238.8:50 240.8:219 241.89999:282 242.89999:553 243.89999:1757 244.89999:839 245.8:696 246.89999:213 247.60001:128 249.7:155 254.7:330 255.89999:64 256.89999:276 257.79999:766 258.89999:4506 259.89999:1749 261:765 262:134 262.79999:215 263.89999:154 264.89999:405 265.89999:325 266.79999:226 267.89999:248 268.70001:250 269.79999:266 270.70001:214 272.70001:586 273.89999:1477 274.79999:639 275.60001:258 276.70001:475 277.79999:60 278.79999:42 279.89999:187 280.79999:509 283.70001:133 284.89999:712 285.60001:313 286.20001:258 287.89999:225 290:77 290.79999:566 291.79999:219 292.60001:106 294.70001:373 295.79999:59 299.79999:36 300.89999:258 301.89999:239 303:266 303.70001:168 303.70001:143 305:424 305.89999:260 306.70001:291 307.79999:250 308.79999:227 310.70001:55 313.10001:706 315.70001:114 316.89999:113 319:6853 320:2228 320.89999:1240 322.89999:244 323.70001:247 324.5:248 325:358 326.89999:411 328.79999:327 330.89999:101 331.89999:35 332.89999:1002 333.70001:417 338.89999:502 339.60001:170 344.89999:456 345.89999:29 354.89999:89 355.79999:147 356.60001:155 357.89999:224 358.89999:1066 359.70001:181 360.79999:169 368.79999:54 370.79999:99 374:803 374.70001:313 375.70001:136 394.79999:512 414.79999:273 421.70001:208 434:56 460.70001:110 522.79999:212 524:121 28841 63242.67 56231.67 433.6667 51812.11 93730.66 27824.22 29453 25744.22 215374 35361.22 31204.33 34160 26559.11 82411 75710.45 73627.93488 70979.13748 58063.69514 52799.26248 1443 19.407 737369.06 70 N-acetylmannosamine 0.847 12.255 735323 OVRNDRQMDRJTHS-ZTVVOAFPSA-N 440 FALSE FALSE FALSE FALSE 79.7 0 90.2 72.7 68.4 79.3 72.6 12.11 42907_T-A13 51:0 51.9:129 57:1 58.9:198 59.9:93 63.8:67 64.9:1 66.9:128 68.9:1 70:1879 70.9:428 72:15 73:14220 74:1041 75:84 75.9:267 76.9:221 84:308 85:1 87:128 88.9:802 89.8:27 90.9:239 91.9:77 93.8:52 97:1 97.9:42 98.9:0 101.8:308 103:3365 103.8:216 104.9:274 105.8:139 106.9:72 107.9:96 110.9:89 111.8:96 113.9:197 114.8:1 116.9:650 117.8:0 118.8:1 119.9:79 121.7:136 124.8:0 128:65 128.89999:902 130.89999:80 132.89999:851 134.8:342 140:108 140.7:1 141.8:96 146:231 147:3553 147.89999:1905 148.89999:128 149.89999:154 150.89999:211 152.10001:96 153.8:120 154.8:18 155.8:269 156.89999:798 157.89999:70 158.5:219 159.89999:273 160.8:243 161.8:256 165.8:99 166.89999:91 167.8:18 168.8:69 169.89999:56 171.8:244 172.8:1 173.89999:278 175.7:63 176.8:34 178.8:93 179.8:133 181.8:161 182.7:24 184.89999:66 187.8:0 188.89999:321 190.89999:592 191.8:224 192.8:204 194:203 194:112 194.8:148 195.89999:92 197.8:33 201.8:143 202.7:22 203.89999:557 204.89999:4154 205.89999:984 206.8:316 207.7:119 208.89999:73 209.89999:99 211.60001:109 214.89999:70 215.8:197 216.89999:3674 217.89999:975 218.89999:406 219.7:58 220.89999:151 221.8:29 222.8:127 223.8:85 225.89999:39 227:0 230.8:216 237.7:26 238.8:67 239.89999:1 242.8:154 243.89999:124 244.89999:75 247.7:23 251.60001:143 252.8:88 253.89999:149 256:200 258.10001:156 258.79999:195 260:133 260.79999:174 261.89999:389 262.60001:112 264.79999:0 266.70001:22 268.79999:1 272:84 272.89999:166 273.79999:170 275.10001:73 275.60001:54 277:71 278.70001:1 280.60001:81 281.89999:2 281.89999:128 282.79999:164 283.5:25 284.89999:103 286.10001:41 288.79999:155 292.79999:77 295.70001:158 296.60001:129 298.89999:3 301.70001:219 302.70001:108 303.70001:101 304.89999:184 305.89999:103 306.89999:105 308.89999:152 308.89999:225 310.89999:538 312:208 313.79999:161 319:4773 319.79999:1991 321:857 321.89999:214 322.79999:73 328.89999:16 331.60001:288 340.89999:30 344.89999:183 346.89999:38 352.60001:213 355:153 355.79999:67 356.79999:118 366.5:44 367.79999:158 368.89999:42 370.70001:102 371.89999:47 375.89999:211 384.70001:81 400.79999:13 401.70001:53 414.79999:100 429.70001:1 440.79999:0 441.60001:0 442.70001:1 455.70001:1 456.70001:0 457.70001:91 458.89999:63 42055.89 2797.333 13079.33 1513.222 1612.333 33637.22 38722.89 1187.222 1417 12923 1971.111 2014.889 1212.667 44284.11 102870.4 34881.55 40408.11129 29035.28797 41683.9339 31225.8223 422 8.651 288403.88 130 N-methylalanine 0.306 4.781 286855 GDFAOVXKHJXLEI-VKHMYHEASA-N 340 FALSE FALSE FALSE FALSE 70.8 0 71.7 70.2 59.1 81.9 80 287.65 42907_T-A22 52:272 55:1377 58:1186 59:5278 60:403 61:826 61.9:29 62.9:174 63.9:147 65.9:566 67.9:249 71.9:1 73:26011 75:0 79:33 80:328 80.8:534 84:0 85:1880 86:964 88:527 88.9:578 89.8:135 90.8:0 94.8:407 95.7:398 99.9:704 101:432 101.9:196 102.9:973 103.9:128 104.9:142 108.4:143 111.9:22 112.9:56 113.9:811 115:939 116:210 119.9:159 120.9:187 124.7:14 125.9:7 127.9:446 130:34902 131:8539 132:2536 133:1096 133.8:198 135.10001:19 135.10001:164 137.8:131 139.89999:168 141.89999:350 143:243 143.89999:199 144.89999:267 147:4461 148:878 148.89999:707 149.89999:74 150.89999:471 151.89999:30 152.7:26 157.8:40 158.89999:118 159.8:43 162.8:199 163.8:54 169.89999:126 170.89999:110 172.8:181 173.89999:117 174.8:53 175.8:149 177.8:63 178.7:141 179.60001:26 183.60001:35 186.89999:867 188:155 189.8:169 190.89999:332 192.8:52 199.89999:92 201:83 201.89999:90 204:1022 204.89999:505 205.89999:400 206.89999:418 207.60001:1 208.60001:72 210.7:56 215.89999:43 217.89999:836 218.7:353 219.8:226 220.8:274 231.89999:420 232.89999:232 248.89999:1012 249.7:265 294.60001:110 340.79999:59 360.79999:80 39022 237.4444 18790.78 379.3333 14759.11 255.5556 30236.11 35771.89 549.4445 39850.55 67385.11 36635 615.3333 39922.55 228.4444 21629.55 51989.08469 62597.33694 50510.04608 80866.84825 1590 21.546 823603.5 116.9125 nonadecanoic acid 1 13.713 822782 ISYWECDDZWTKFF-UHFFFAOYSA-N 340 FALSE FALSE FALSE FALSE 83.1 null 99.3 72.3 58.7 82.4 93.3 14.47 43462_C-D145 52:297 52.9:1431 54:266 55:8295 56:1946 57:1318 57.9:298 58.9:2368 59.9:582 60.9:2847 61.9:135 62.8:114 63.8:40 65:235 66:140 67:1151 68:783 69:1097 70:693 72:2167 73:74211 74:6389 75:35030 75.9:2487 77:1755 77.9:328 79:441 79.9:519 81:1472 82:563 83:210 84:438 86:742 88.9:1336 89.9:519 91:485 91.8:201 92.9:629 93.9:116 95:1955 97:3317 98:1049 100.9:964 101.8:42 103.8:18 104.9:439 105.9:105 106.8:407 108.9:280 109.9:206 112.1:50 114.9:254 115.9:3096 116.9:51568 117.9:4972 118.9:2339 121:248 121.9:121 124:206 124.9:91 128:424 128.89999:19629 129.89999:3113 131:5147 131.89999:26072 132.89999:6162 133.89999:1677 135:308 135.89999:379 137.89999:14 138.89999:405 142.89999:1700 144.89999:18417 145.89999:2457 147:3057 148:879 148.89999:630 149.8:89 150.89999:433 151.8:162 153:525 153.8:311 155.89999:147 156.89999:473 159:915 159.89999:166 162.89999:311 163.89999:88 165:31 165.89999:445 166.89999:158 167.8:195 169:39 169.89999:40 170.89999:538 172.89999:292 174.8:82 176.89999:57 177.7:91 178.8:149 182:175 182:175 184.89999:720 185.8:365 187:1503 188.8:21 190.89999:268 191.89999:227 200.89999:2416 202:262 202.89999:374 203.89999:268 204.89999:258 205.89999:43 206.8:215 207.89999:70 208.8:220 210.8:203 211.89999:124 212.89999:258 214:20 214.89999:142 215.7:171 220.8:894 221.89999:115 222.8:249 224.8:89 226.8:1012 228.8:162 230.7:314 232.7:284 236.89999:52 239.10001:265 240.89999:197 241.89999:288 242.89999:562 243.89999:269 244.89999:376 246.89999:209 247.8:45 248.89999:35 253.7:49 254.89999:522 256.79999:469 257.70001:321 258.79999:98 259.79999:45 260.79999:272 262.79999:22 263.89999:113 265.70001:243 266.29999:224 267.89999:126 268.89999:476 270.89999:717 272.10001:285 272.70001:63 273.79999:57 274.79999:51 277.89999:126 278.89999:85 279.89999:68 280.89999:78 285.79999:72 286.70001:255 291.79999:99 294:132 295.79999:56 298.89999:328 304.70001:493 305.79999:271 311.10001:1628 312:640 313.79999:252 314.89999:125 316.89999:514 318:118 318.89999:291 320.70001:52 322.70001:21 323.20001:148 323.70001:322 324.79999:468 326.89999:1243 327.89999:491 328.60001:114 329.70001:14 332:105 332.70001:50 333.70001:52 336.89999:7 338.60001:2 341:245 342.10001:288 344:87 346.5:120 349.70001:86 350.70001:67 353.10001:167 355.10001:21907 356.10001:6339 357:2283 357.89999:310 359.89999:38 360.79999:225 362.39999:91 368.70001:380 370:2947 371:850 372:330 375:423 375.79999:181 380.79999:10 394.89999:104 413:68 414.89999:85 417.10001:26 417.89999:173 423:58 423:70 496.70001:81 42645.45 33467.55 32227.45 31531 28117.11 35639.22 26694.78 47635.45 32356.55 69707.78 66081.34 51890.89 56275.67 63051.11 33372.89 30813.89 20470.44475 22903.12747 23175.78991 22064.07498 1479 19.899 757204 327.1 octadecanol 0.986 12.59 755409 GLDOVTGHNKAZLK-UHFFFAOYSA-N 340 FALSE FALSE FALSE FALSE 76.2 null 84.9 70.3 51.3 85.3 97.7 132.31 42643_C-D145 51:185 53:640 54.1:621 55:11080 56:3071 57:14212 58:1393 58.9:1092 59.9:218 60.9:2058 61.9:82 62.9:211 64.1:50 64.8:211 65.9:259 67:1878 68:1335 69:15230 70:3036 71:10496 72:1086 73:13789 74:1559 75:16993 75.9:1565 77:1395 77.9:143 78.9:547 79.8:175 81:1202 81.9:1380 83:8504 84:2031 85:6096 86:514 87:235 87.9:238 88.9:3068 89.9:200 90.9:1175 91.8:174 92.9:351 93.9:61 94.9:1010 95.8:378 97:5138 97.9:384 99:2853 100:354 100.9:1819 102:264 103:4861 104:620 105:456 107:268 107.8:138 108.9:739 109.9:645 111:4346 112:1679 113:1503 113.9:287 115:1013 115.9:384 116.9:842 117.9:160 120:142 121:118 121.8:23 123:504 123.9:104 125:2052 126:681 127:840 127.9:158 129:1748 129.89999:33 130.89999:58 132:269 133.7:45 135:53 135.8:1 136.89999:0 138.89999:606 140:142 141:475 141.89999:78 143:272 143.89999:53 144.89999:664 145.7:123 146.89999:817 147.8:306 148.89999:161 150.8:131 151.89999:112 152.89999:1363 153.89999:665 155:430 155.8:0 156.89999:128 157.89999:116 158.89999:6 159.8:25 160.8:85 162.89999:9 163.8:84 164.8:41 165.89999:48 167.10001:116 167.7:0 168.2:213 168.89999:248 169.89999:77 171:89 171.8:1 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91.8 94.3 634.71 38545_T-A13 55:7272 56:275637 57:23110 58:3955 59:97798 60:15227 61:5482 62:736 62.9:1737 64:574 65:1464 69:19562 72:12102 73:523039 74:121496 75:47722 76:5830 76.9:1674 79:4615 80:797 84:624 86:146233 87:13704 88:7790 89:1138 90:19591 91:3582 98:8085 99:4077 100:80412 101:20168 102:30746 103.9:8118 108.1:2147 110:5656 111:460 114:1354 115:13367 116:12197 116.9:3423 117.9:1780 118.9:116 119.9:3295 126:6816 128:56876 130:112874 130.89999:35137 131.89999:28235 132.89999:22373 135.89999:49178 136.89999:5265 137.89999:4575 139:937 140:5404 141:6434 142:272425 143:35754 144:24824 145:2204 145.89999:70541 146.89999:34931 147.89999:23191 148.89999:8876 150:1729 151.89999:1097 153:7659 154:16047 155:1693 156:2413 156.89999:2552 158:12350 159:20867 160:16733 161:10538 162:8548 162.89999:1652 163.89999:920 165.89999:765 167:531 168:1954 169:9022 169.89999:12880 171:2424 172:47529 174:1136501 175:206687 176:93452 177:10819 178:1335 183.89999:1924 186:278911 186.89999:50709 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54:27383 55:415745 56:82666 57.1:223188 58:36968 59:41456 60:14581 61:75870 62:5086 63:2960 63.8:151 64.9:4595 66:2803 67:66283 68:18964 69:168515 71:57428 72:58426 73:1423963 74:150375 75:1062961 76:76418 77:49594 78:2542 79:20418 80.1:3654 81:59187 82:12055 83:87249 84:36569 85:32281 86:11680 87:10464 88:8331 89:34633 90:4526 91:10506 91.9:1746 93:16126 94:3167 95:47030 96:8352 97:60094 98:47073 99:26753 100:780 101:16997 102:3003 103:3338 103.9:281 105:20307 105.9:2113 107:9127 108:1621 109:15218 109.9:2916 111:24484 112:13650 113:1839 113.9:598 115:10842 116:87852 117:1206002 117.9:118874 119:50606 120:2744 121:9106 122:1071 123:5207 123.9:1362 125:6240 125.9:2921 127:4067 128.89999:556921 129.89999:72754 130.89999:142279 132:581482 133:109958 134:27870 135:8366 136:903 137.10001:1874 138:974 139:3219 140:1627 140.89999:2613 142:1205 142.89999:34975 145:355954 146:45268 146.89999:11165 147.89999:53 149:1764 150:255 150.89999:753 151.89999:552 152.89999:2403 154:2418 154.89999:3250 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77.9:966 79:7331 80:2901 81:20185 82:10723 83:14319 84:16829 85:3325 86:1460 87:968 87.9:1011 89:3117 89.9:666 91:3220 91.9:1004 93:4085 94:2821 95:13506 96:17583 97:10921 98:13734 98.9:3046 100:484 101:1515 101.9:1186 102.8:700 103.9:148 105:2194 106:375 107:2353 107.9:1558 109:7136 110:7145 111:3847 112:2749 112.9:716 113.8:15 114.9:1146 115.9:7549 117:65089 117.9:6640 119:4301 120:752 121:2269 121.9:856 123:6296 124:2779 124.9:1336 125.8:653 127:601 128.89999:54009 130:7589 130.89999:10301 132:11079 133:4034 134:1811 135:1575 135.89999:455 137:3688 138:2842 138.89999:850 139.89999:501 140.89999:1163 141.89999:670 142.89999:3213 145:21495 145.89999:1530 147:1140 148:409 148.89999:576 150.10001:400 150.89999:2259 152:6216 153.10001:1092 153.89999:396 154.89999:2737 155.89999:141 156.89999:2087 157.89999:967 159:1353 160:976 160.89999:809 162:11 162.8:220 163.89999:294 164.89999:770 166:1178 166.7:166 168:353 168.89999:1053 169.89999:729 171:3003 172:1147 172.89999:1313 174:1 175:353 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293.70001:0 295:195 296.89999:94 298.79999:249 299.79999:229 300.89999:51 304.70001:36 305.79999:0 308.89999:138 311:30837 312.10001:10153 313:2895 313.89999:466 318.79999:0 320:42 323:109 324.79999:225 326:2267 327.10001:995 328:150 329.79999:102 331.79999:52 335.70001:123 344.60001:87 357.20001:8 358.39999:90 369:281 371.60001:47 373.89999:373 374.89999:241 420.70001:53 96169.22 39411.11 55736.89 86383.66 34000.11 46789.89 110720.8 70309 119919.7 227998.1 103878.4 114460.9 151313.4 135533.1 103389.8 67022.45 181581.709 164664.1255 178329.4437 150578.4821 1356 18.288 692544.62 102.9771 pantothenic acid 0.625 11.515 690887 GHOKWGTUZJEAQD-ZETCQYMHSA-N 340 FALSE FALSE FALSE FALSE 88.8 0 97.6 82.9 76.1 87.6 93.9 5.73 43462_C-A13 54:319 55:6972 58:842 59:1205 60:559 61:1173 61.7:44 64.9:217 67.9:435 69:6239 70:1715 72:1007 73:4868 74:486 75:11260 76:567 79.9:159 81:661 82:509 83:3688 85.9:767 86.9:219 89:759 90.9:161 93.9:169 95:713 97:950 97.9:1145 99.9:1430 101:991 102:455 103:23638 103.9:1377 104.8:785 111:1850 113:2049 113.9:444 115:668 115.9:823 117:13585 117.9:1890 119:639 123.9:258 126:462 127.8:459 128.89999:3365 129.89999:2245 130.89999:1816 131.8:441 133:2831 133.89999:6 135.7:51 136.89999:138 138.89999:382 143:1447 143.89999:2833 144.89999:2282 146:1298 147.89999:977 148.8:1306 150:274 150:140 152.89999:800 154:546 157:9645 157.89999:1873 158.89999:3148 159.89999:811 160.8:316 165:116 165.89999:65 167.89999:36 169.89999:83 170.8:1 171.89999:472 172.8:187 176:393 181.8:159 183.89999:43 185.89999:98 187.8:250 194.7:158 195.89999:27 197.8:142 199.8:169 200.89999:5060 201.89999:1072 202.8:263 211.89999:39 215:114 216:334 217.89999:1177 221.89999:134 227.7:114 230.89999:128 239.89999:20 245.89999:294 247:7146 247.89999:1147 248.89999:10 249.7:63 260.89999:1752 261.79999:635 262.79999:82 272.70001:90 274.70001:469 275.89999:38 280.79999:149 287.79999:28 289.39999:87 290.89999:12480 291.89999:3551 292.89999:179 301.89999:81 302.89999:79 312.79999:134 313.79999:91 314.70001:42 315.79999:82 329.89999:467 331.79999:238 344.89999:257 364.89999:21 365.89999:21 366.70001:73 387.70001:124 390:20 419.89999:2338 420.79999:884 421.89999:648 423.10001:210 12889 11030.44 8905 14825.56 12010.22 7892.111 9376.777 14780.78 13387 10378.67 15040.89 8816.889 13205.44 9801.223 11860.11 12124.44 27217.41522 21267.16347 20348.01794 17563.96417 741 11.064 399810.22 74.99848 pelargonic acid 1 6.654 399229 FBUKVWPVBMHYJY-UHFFFAOYSA-N 340 FALSE FALSE FALSE FALSE 86.1 0 99.1 77.5 69.8 89.9 75.9 6.48 85035_T-D145 51:372 59.9:55 61:6427 61.9:455 64.8:43 67:642 71:6062 72:2750 74:100 75:65897 76:4762 81:3462 83:195 86:303 88:1606 88.9:1265 91:6 92.9:298 99.9:0 103.9:70 105:1287 116:3036 116.9:36377 118:3568 118.9:1569 125.9:369 127:1422 128.89999:16582 130:1724 130.89999:10556 132:13427 132.89999:311 138.8:205 139.89999:1815 142.89999:877 144.89999:6020 145.89999:1226 157:569 169.8:124 171:1960 171.89999:209 183.89999:1 185:205 187:1239 187.89999:2346 189:371 189.89999:190 192.7:1 193.8:1149 196.8:1 200.89999:1193 201.7:215 206.89999:1 208.89999:437 210.10001:128 215:34178 216:6053 216.89999:512 230:571 262:0 280.60001:119 313.70001:109 354.89999:78 372.70001:98 115013 87147.11 62101.11 71379.34 86926.11 67184.45 87979.78 94345.45 93218.34 85214.66 139507.2 99472.11 86143.34 79802.11 76528 72044.45 112674.8775 111725.7716 29358.97215 33236.21776 1317 17.871 675627.12 116.9048 pentadecanoic acid 0.764 11.244 674647 WQEPLUUGTLDZJY-UHFFFAOYSA-N 340 FALSE FALSE FALSE FALSE 86.7 0 99.3 78.2 60.4 94 100 18.62 43469_T-D145 51:433 52:369 53:2159 54:2089 55:22340 56:5169 57:9093 58:3067 59:3724 60:1203 60.9:5605 61.9:436 62.8:302 64.8:418 65.7:183 67:3793 68:1338 69:7168 70:2985 71:498 72:4692 73:123248 74:12202 75:77069 75.9:5602 76.9:3882 77.9:264 79:843 80:317 81:3883 81.9:821 83:3620 84:1832 85:1437 86:1128 86.9:718 88:693 88.9:3509 90:554 91:524 91.9:142 93:856 93.8:121 95:3030 96:596 97:2936 98:2543 98.9:1502 99.9:494 100.9:1635 101.9:569 103:2212 103.9:193 104.9:1850 105.7:231 107:480 107.9:156 108.9:1198 109.9:221 110.9:1039 112:870 112.9:585 113.8:194 114.9:790 115.9:6343 116.9:80541 117.9:7770 118.9:3442 119.8:181 121:383 121.9:62 122.8:257 123.8:215 125.1:168 126:326 126.9:503 128.89999:38621 129.89999:5466 130.89999:10207 132:28993 133:8191 133.89999:2236 134.8:778 136.10001:299 136.8:82 137.89999:154 138.8:235 139.8:648 140.89999:341 141.89999:268 143:2767 144:516 145:18102 145.89999:3150 146.89999:6648 147.89999:1033 148.89999:851 149.89999:150 151:65 151.89999:139 152.89999:192 153.8:83 154.89999:392 155.89999:1 156.89999:1013 157.8:235 159:1835 159.89999:3845 160.8:600 161.89999:268 162.89999:248 163.7:206 164.60001:131 165.89999:91 166.8:138 167.8:365 168.89999:199 169.8:92 170.89999:1977 171.89999:517 172.8:575 174:711 175.8:269 176.89999:307 177.7:145 178.89999:69 179.8:46 180.8:294 181.89999:109 182.89999:0 183.8:159 184.89999:2179 185.8:624 187:1334 187.89999:186 188.89999:957 189.89999:207 191:1774 191.89999:350 192.7:251 193.89999:163 194.89999:248 196:55 197.10001:138 197.8:1 198.89999:842 199.89999:285 201:3221 201.89999:661 202.89999:431 204:2055 204.89999:752 205.8:133 206.8:149 207.8:84 208.7:170 209.8:27 210.8:77 211.89999:179 212.89999:572 213.89999:103 214.89999:695 216.89999:3216 218:335 218.89999:880 219.89999:190 220.89999:609 221.89999:157 222.7:254 225:183 225.89999:91 226.89999:698 227.8:149 228.8:656 229.8:511 230.89999:207 231.89999:151 232.89999:80 233.60001:135 234.8:225 237.7:36 241:442 241.7:177 242.89999:652 243.89999:161 244.8:57 245.7:378 246.8:283 247.7:78 255.10001:1832 256:531 256.89999:559 257.89999:427 258.79999:180 259.89999:0 261:6 262.79999:150 264.89999:168 265.70001:168 266.70001:100 267.70001:89 268.89999:312 269.79999:60 271.10001:1943 272:765 272.89999:292 274:308 276.89999:310 277.79999:142 281.70001:120 282.89999:101 285:194 285.70001:135 288.89999:323 289.70001:115 290.89999:560 292:948 292.79999:591 293.89999:244 296.89999:124 299:36654 300.10001:9251 301:2879 302:565 302.70001:207 305:1084 306.10001:392 306.79999:162 308:29 308.70001:104 312.79999:144 314:2618 315:857 316:46 318:517 318.89999:144 319.89999:220 324.89999:37 331:115 331.79999:0 332.89999:4910 333.89999:2092 334.89999:614 336.10001:180 340.89999:122 342.89999:80 344:338 345:198 354.79999:122 355.60001:144 359.39999:381 360.89999:249 387.89999:58 392.79999:212 408:19 422.70001:191 431:72 445.60001:88 70675.45 39704.22 46929.55 63093.33 46347.89 55216.11 90551.78 64564 83507.11 164168.1 83580.55 93319.66 116382.1 102818 59994.22 61771.33 53186.09329 48048.53915 64548.30521 35308.38064 1012 14.355 535763.44 217.9036 phenylalanine 0.75 8.963 537804 COLNVLDHVKWLRT-QMMMGPOBSA-N 440 FALSE FALSE FALSE FALSE 82.8 0 80.6 84.3 76.5 91.1 94 158.03 43539_C-A13 51:1377 51.9:1329 53:1172 54:1513 55:4102 56:8719 57:2457 58:9469 59:22135 60:3712 61:2960 61.9:381 62.9:2655 63.9:566 65:13132 66:1608 66.9:1363 68:1686 69:2272 69.9:2675 71:2060 72:9418 73:403196 74:36773 75:44069 76:2927 77:5719 78:1545 79:1095 79.9:422 81:495 84:18546 85:3052 85.9:6693 86.9:1609 87.9:1967 89:5167 90:2332 91:53722 92:7536 92.9:1256 94:262 94.9:986 95.9:902 97:552 98:3366 99:3021 100:65725 101:16696 102:5450 103:2365 103.9:1914 104.9:1772 105.9:504 107:1174 107.8:399 109.1:287 109.8:944 110.9:376 112:657 113:878 113.9:559 115:3704 115.9:1757 117.9:1607 118.9:3823 120:1800 120.9:4025 121.9:681 122.9:327 123.8:349 125.1:379 126:812 126.9:263 128:2390 129.89999:10656 130.89999:2452 131.89999:12419 132.89999:16480 133.89999:2995 134.89999:4763 135.89999:996 136.89999:677 137.8:190 139:346 139.8:861 140.89999:1030 141.89999:1509 143.89999:1340 144.89999:424 145.89999:1560 146.89999:63272 147.89999:9599 148.89999:4751 150:601 151.89999:790 152.89999:214 153.89999:154 156:71 156.89999:620 157.89999:6837 158.89999:4295 159.89999:10601 160.89999:3371 161.89999:4361 163:2886 163.8:232 164.7:104 165.8:80 166.8:162 167.8:220 168.8:453 169.89999:1345 170.89999:641 174.89999:1489 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283.89999:112 284.79999:208 285.60001:383 287.70001:121 289.89999:107 290.89999:131 291.5:53 292:169 292.70001:229 293.89999:6390 294.89999:276 295.89999:239 296.70001:40 297.70001:163 298.70001:9 307.60001:281 310.70001:35 311.79999:213 313.5:260 313.5:244 321.79999:562 323.60001:174 325.89999:315 327.70001:22 328.70001:113 329.60001:156 330.70001:103 331.89999:264 338.70001:32 344.5:83 345.89999:198 349.79999:4345 350.79999:1498 351.79999:138 354.79999:1078 355.70001:313 356.79999:723 357.89999:208 358.79999:225 359.89999:107 363:22 364.89999:101 364.89999:9 365.89999:1 368.79999:9 369.60001:96 372.89999:105 383.89999:272 384.79999:194 385.70001:33 386.29999:170 400.70001:159 401.70001:268 402.60001:81 413.60001:50 416.79999:25 431.79999:3 530.59998:52 97954.34 92541.11 59656 70736.55 69475.55 84667.55 85377.55 76502.45 98793.89 115395.1 111235.2 106602.9 92000.45 101637.6 105480.1 51420.45 161402.886 169073.9239 85141.79668 135612.846 968 13.733 511338.78 173.9855 phenylethylamine 1 8.505 510327 BHHGXPLMPWCGHP-UHFFFAOYSA-N 340 FALSE FALSE FALSE FALSE 82.4 0 98.9 71.4 64.2 67.9 100 352.13 84706_C-A13 53:258 54:939 55:3593 56:33067 57:28208 58:14890 59:11795 60:1031 60.9:2095 61.9:19 62.9:11 67:793 68:664 69:5584 70:6583 71:25224 72:2294 73:34377 74:3868 74.9:7602 75.9:2211 76.9:2054 78:218 78.9:1189 80.9:316 82:3556 83:11388 84:20828 85:11741 85.9:2769 86.9:1185 88:2832 89:1530 90:433 95.9:431 97:13288 98:56901 99:35264 99.9:859 101:3035 102:14562 103:14305 104:3301 105:885 105.8:197 106.8:121 107.8:131 108.8:195 111:818 111.9:1814 112.9:2871 114:74437 115:14101 115.9:3368 116.9:3567 117.8:1217 118.8:972 119.9:232 122.8:210 125.9:631 126.9:1419 128:945 129.89999:1758 130.89999:2337 131.89999:1155 132.89999:2658 133.89999:892 134.89999:110 135.8:202 138.8:427 142.89999:989 143.89999:3687 144.89999:1071 145.89999:3056 146.89999:13292 147.89999:2562 148.89999:2010 155:1451 157.89999:3555 159:3261 159.89999:1586 160.89999:471 161.8:399 162.89999:105 163.8:17 166.89999:98 167.89999:370 169.89999:449 171.89999:10242 174:867210 175:117263 175.89999:40594 176.89999:3513 177.8:380 178.8:184 180.8:2 183.8:1328 184.89999:821 185.89999:13594 186.89999:5160 188:455 188.8:255 193.89999:202 197.8:268 198.89999:483 204:2008 204.89999:3292 205.89999:1044 206.89999:1230 207.89999:263 208.8:275 210.89999:240 212.89999:93 213.8:243 214.8:15 215.89999:846 216.89999:1215 217.8:670 220:442 220.8:282 221.7:164 223.8:121 226.89999:489 229:1137 229.89999:1037 231:3180 231.89999:14085 233:3772 233.89999:1370 234.89999:482 237.7:184 240.8:299 241.8:328 244.89999:205 245.89999:858 246.89999:515 249:93 256.89999:540 257.79999:695 258.79999:158 259.70001:385 260.89999:4 264.79999:223 267.89999:212 268.70001:110 270.89999:67 271.89999:713 272.89999:253 274.89999:13 275.89999:1087 276.89999:3 280.70001:56 281.79999:154 282.89999:46 285.89999:215 286.70001:117 289:477 289:477 291.70001:196 294.70001:53 295.39999:210 295.89999:247 298.79999:757 299.79999:306 300.79999:316 309.79999:252 314.79999:342 315.70001:145 319.89999:204 320.70001:154 327.89999:210 328.89999:58 330.89999:684 332.89999:1286 334.89999:258 344.89999:147 345.89999:94 348:191 353.89999:137 355.10001:37 355.70001:76 363.89999:57 368.79999:591 378.89999:2 383.70001:26 400.60001:27 403.89999:89 416.89999:27 423.60001:295 124582.9 177881.2 69300 153017.3 76908.66 69807.66 149169.9 119546.4 207685.6 205789 143085.6 151884.9 145363.4 158736.8 60489.33 86811.55 278449.3277 331405.408 252874.939 285503.1565 635 9.923 350011.62 298.9353 phosphate 0.625 5.805 348274 NBIIXXVUZAFLBC-UHFFFAOYSA-N 340 FALSE FALSE FALSE FALSE 93 0 99.5 88.7 86.6 89.4 93.7 25176.81 43504_C-D145 52:1720 52.9:1539 54:564 55:5606 58:29806 59:156803 60:14352 61:60247 62:4064 63:6702 63.9:503 65:2761 66:14962 66.9:1579 70:11043 72.1:90526 73:2692387 74:247909 75:208503 76:11925 77:61374 78:4354 79:10595 79.9:843 81:741 82:437 83:1442 84:7827 86:2184 87:24541 87.9:2506 88.9:25018 89.8:7428 90.9:20645 91.9:2614 92.9:4698 93.8:990 95:1092 96:2547 97:1533 97.9:1655 101:2065 102:6200 102.9:29858 103.9:13606 104.9:58413 105.9:9860 106.9:35037 107.9:3464 108.9:11202 109.9:959 113:2687 114.9:132858 115.9:15353 116.9:26549 117.9:4422 118.9:104190 119.9:17578 120.9:78077 121.9:9451 122.9:31563 124:2792 125:1720 125.9:3697 127:453 130.89999:114035 132.89999:692398 133.89999:103968 134.89999:241766 135.89999:31006 136.89999:109362 137.89999:11364 138.89999:11654 140:492 142.89999:3321 144:289 144.89999:11337 147:105432 148:16989 148.89999:14030 149.89999:8636 150.89999:52289 151.8:7113 152.89999:14848 153.89999:1006 155.89999:71 157:1841 160.89999:4739 161.8:879 162.8:20018 163.89999:4412 164.8:46760 165.89999:9471 166.8:48169 167.89999:6746 168.89999:2874 170.89999:947 171.89999:259 172.89999:2098 173.89999:624 174.89999:2081 175.89999:4648 176.89999:30317 177.89999:11707 178.8:42998 179.89999:11927 180.8:119340 181.89999:15746 182.89999:27894 183.89999:3820 184.8:2043 186:1382 187:1052 188.89999:78649 189.89999:17811 190.89999:247674 191.89999:50038 192.89999:310125 193.89999:57495 194.89999:79381 195.89999:12471 196.89999:17286 197.89999:2297 198.8:1218 199.8:149 200.89999:808 201.89999:42 202.89999:1386 204.89999:19846 206.89999:376726 207.89999:79575 208.89999:62217 210.89999:649907 211.89999:98852 212.89999:54363 213.8:5557 214.8:1501 220.89999:34073 221.89999:7777 222.89999:8323 224.89999:117779 225.89999:21089 226.89999:33326 227.89999:5279 228.89999:2180 229.89999:186 230.89999:87 234.7:260 235.7:144 236.8:2295 237.89999:725 238.89999:6630 239.89999:1208 240.89999:1772 241.60001:298 244.8:87 251.8:1289 252.8:20401 253.89999:4523 254.89999:15493 255.89999:2824 256.89999:1903 257.89999:463 258.70001:343 266.89999:15621 267.89999:6380 268.89999:51753 269.89999:10760 270.89999:6767 271.70001:1053 272.60001:317 280.79999:743 282.89999:352937 283.89999:84217 284.89999:52187 285.89999:9403 286.79999:2740 287.70001:465 294.79999:149 295.70001:204 298.89999:5399542 299.89999:1568502 300.89999:874766 301.89999:151307 302.89999:38650 303.89999:4812 304.89999:944 308.70001:143 309.5:138 310.79999:686 313.89999:1099854 314.89999:285967 315.89999:151315 316.89999:26097 317.89999:6964 318.79999:817 319.89999:186 326.60001:86 328.70001:61 340.79999:189 342.79999:180 354.70001:156 356.79999:228 358.70001:467 359.79999:138 371.89999:144 372.89999:1591 373.70001:564 374.89999:267 387:471 387.89999:155 388.70001:60 432.79999:176 436.60001:193 447.60001:42 524.70001:121 7121672 838.7778 436.1111 1102.222 14.48888855 553.4445 822.7778 852.4445 688 7261059 6957650 6193625 5400602 6233803 317.1111 588.8889 3605804.933 3057879.118 2815716.366 2702004.486 1121 16.093 604976.12 73 phosphoethanolamine 1 10.072 604335 SUHOOTKUPISOBE-UHFFFAOYSA-N 340 FALSE FALSE FALSE FALSE 83.5 0 100 72.5 59.1 83.8 90.5 15.9 38057_C-D145 50.9:43 52.9:115 53.9:38 55:296 58:1043 59:4218 59.8:348 60.8:402 64.8:84 65.9:71 66.9:177 68:49 69:1 70:927 72:2103 73:40224 74:2514 75:2254 75.9:129 76.9:689 77.9:72 79:400 82:185 82.9:1 84:3777 86:2102 87:699 88.9:428 90.9:152 92.9:75 93.9:165 95:0 96:1 97:21 98:936 99.9:2838 101:345 101.9:277 103:3226 103.9:291 104.9:312 106.9:110 107.8:116 108.9:150 110:112 111:0 111.9:156 114:3373 115:1292 115.9:708 117:11550 117.9:1047 118.9:655 119.9:268 121:186 121.8:55 124:208 125:646 126:129 128.89999:1143 130:1226 131:1606 131.89999:101 132.89999:2844 133.89999:416 134.89999:1070 136:148 136.8:196 137.7:92 139:89 142:101 143:1371 143.8:157 144.8:30 147:5152 147.89999:730 148.89999:806 150:82 150.8:164 152.89999:14 153.89999:1 156.89999:176 157.89999:307 158.8:462 159.8:377 160.89999:87 162.89999:219 163.89999:51 164.7:137 166:128 166.8:265 168:0 169.8:82 172:6592 173:1368 174:8431 174.89999:1493 176:672 176.8:130 177.7:66 178.89999:151 179.7:6 181:458 181.8:7 183:10 184.8:85 185.89999:398 187:1113 188:6212 188.89999:1445 189.89999:705 191.8:54 192.89999:495 193.89999:118 194.89999:248 195.89999:227 197:9 198.89999:105 200.7:156 200.7:220 201.89999:140 203.89999:793 205:2503 205.8:736 206.89999:746 207.8:187 209.10001:111 209.89999:69 210.8:1604 211.8:481 213:265 214.89999:218 216:58 216.89999:4192 217.8:750 219:3064 219.89999:515 221:430 221.89999:174 222.7:115 223.8:77 224.8:452 225.89999:150 226.89999:180 227.89999:136 228.7:531 230.8:2048 231.89999:354 232.89999:135 237.89999:88 239.7:80 240.7:39 241.8:82 244:329 249.8:588 250.89999:147 253.7:125 254.8:188 256.89999:345 257.89999:243 258.79999:77 259.89999:48 264.70001:109 267.70001:12 268.89999:344 270.79999:58 272.89999:810 274:238 276.89999:494 278:283 279:72 279.79999:197 280.60001:47 280.60001:28 282.79999:385 283.70001:171 284.79999:371 290.70001:277 291.89999:180 298.89999:7254 299.89999:2156 300.70001:1094 301.79999:176 302.79999:30 304.89999:129 305.89999:211 307:1228 307.79999:343 308.89999:37 309.79999:313 313.79999:687 314.89999:2247 316.79999:289 317.79999:62 318.89999:2165 319.79999:887 320.89999:499 321.89999:154 325.79999:681 327.89999:2259 328.79999:1106 329.70001:534 330.79999:287 333.10001:151 336.39999:216 341.39999:111 347.70001:74 351.60001:323 356.70001:193 366.5:147 374.60001:13 382.89999:107 386.5:118 387:229 413.79999:1201 414.70001:426 415.70001:281 416.70001:79 450.60001:195 55586.33 40438.45 31028.78 55382.67 37005 23332.55 48477 39336.89 40896 49299.67 46030.55 48062.55 54809.45 44680 29061.78 35418 1075675.533 1113977.117 1079954.167 1266337.76 1262 17.348 655055.56 73 p-hydroxylphenyllactic acid 0.444 10.901 654036 JVGVDSSUAVXRDY-UHFFFAOYSA-N 340 FALSE FALSE FALSE FALSE 79.3 0 89.7 72.3 56.7 84.7 94.3 19.19 42690_T-A13 51:130 52:1 53:576 54:412 55:4952 56:2512 57:9458 58:5518 59:5266 59.9:612 61:1436 61.9:158 62.9:1 63.8:178 65:0 66:755 67:644 68:631 69:2882 70:2494 71:12489 72:8928 73:201992 74:16811 75:16058 76:1581 77:1117 77.9:725 79:466 79.9:205 81:387 81.9:196 83:1039 83.9:899 85:9044 85.9:1174 86.9:632 88:1461 88.9:5789 90:1273 91:2450 91.9:0 92.9:117 93.8:54 94.9:285 95.9:50 97:35 98:439 99:4801 99.9:2139 100.9:2656 102:1429 102.9:15312 103.9:2010 105:2190 106:369 106.8:562 107.9:145 108.9:240 111:1263 112:794 112.9:4330 113.9:554 115:1232 115.9:3444 116.9:12648 117.9:1259 118.9:4173 119.9:708 120.8:573 121.9:133 123:260 123.9:118 124.9:478 126:602 127:1869 127.9:632 129:3307 129.89999:863 130.89999:5117 132:1304 132.89999:17372 133.89999:2134 134.89999:2406 136.8:379 139.8:213 140.89999:1089 142:3674 142.89999:1515 143.8:602 144.8:1053 146.89999:63034 147.89999:10337 148.89999:8978 149.89999:1238 150.89999:1416 152:345 152.89999:544 153.8:603 155:1934 156:367 156.89999:708 157.89999:392 158.89999:1623 159.89999:9070 160.89999:2911 161.89999:738 162.89999:5190 163.89999:1276 164.8:615 165.8:153 167.89999:323 169:584 170:347 171:128 172:2296 172.89999:682 173.89999:734 174.89999:1530 175.89999:378 176.89999:4029 178.89999:59332 179.89999:10772 180.89999:2214 181.89999:557 182.89999:41 184.8:523 185.89999:150 186.8:1225 187.89999:1341 188.89999:3697 189.89999:1501 190.89999:8418 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298.89999:542 301.89999:333 303:151 303.89999:665 305:578 305.79999:328 307.89999:9361 308.89999:125 309.89999:3153 310.89999:504 311.89999:112 312.89999:1 314.79999:196 316.70001:360 317.89999:587 323.89999:22 325.79999:9 328.79999:202 330.79999:0 332.10001:207 332.79999:104 333.89999:224 334.79999:183 335.70001:105 336.79999:345 337.79999:129 338.89999:67 342.70001:368 344.79999:158 346.5:350 346.5:374 347.70001:152 348.79999:117 355:1640 357.79999:413 359:103 359.79999:152 362.89999:128 369.70001:151 372.79999:59 375.79999:303 378.60001:0 381.29999:58 381.29999:178 382.89999:570 384:606 384.70001:46 385.70001:71 386.89999:58 391.89999:55 399.60001:302 399.60001:428 401.89999:104 405.89999:86 434.79999:99 467.60001:53 479.70001:70 18054.33 7787.111 7109.778 7475.667 4682.778 2116.778 3378.444 211.6777832 211.6777832 27614.11 6579070 5848.111 211.6777832 13306.22 211.6777832 211.6777832 2528394.421 1603757.028 3141426.883 2876162.753 1509 20.27 772248.75 116.925 phytanic acid 0.667 12.843 770604 RLCKHJSFHOZMDR-GUDVDZBRSA-N 340 FALSE FALSE FALSE FALSE 80.9 null 87.2 76.6 68.2 83.5 88.2 18.07 42690_T-D145 50.9:250 51.9:30 53:649 55:7969 56:2890 57:4367 58:674 59:183 59.9:247 60.9:798 62.8:125 66.9:1046 68:332 69:6200 71.9:319 73:1812 74:1310 75:11759 75.9:717 76.9:971 78.9:0 79.8:1 80.9:334 83:85 85.9:63 87:249 88:1228 88.9:798 89.8:137 90.9:83 91.7:146 92.9:515 95:191 97:1788 98:881 99.9:259 101:473 102.9:178 105:304 105.7:78 106.9:191 107.8:125 109:593 111.9:22 113:596 113.9:129 116.1:289 116.9:18731 117.9:2019 118.9:496 119.9:94 120.9:204 121.8:23 123:311 123.9:150 127:108 128.89999:113 130.89999:1294 132:8407 132.89999:2237 133.89999:54 136.8:22 138.89999:347 141.8:41 142.89999:8547 143.89999:1205 145:1247 145.8:609 149.89999:0 150.8:91 155.89999:353 156.89999:302 159:17192 159.89999:2673 160.89999:951 165.8:141 166.89999:189 167.89999:47 170:41 175.89999:55 176.8:421 177.89999:139 181.7:123 182.89999:110 183.8:77 184.8:299 185.7:7 186.7:280 188.8:114 193.60001:48 196:88 200.89999:173 211.8:141 212.89999:97 214.10001:126 215.89999:55 217.8:192 225.89999:151 227.60001:57 228.89999:625 232:120 232.89999:56 233.5:63 233.5:102 234.89999:378 235.7:168 237.8:146 239.89999:196 240.7:3 241.89999:31 243.7:86 253:77 253.8:160 256.89999:22 261.20001:178 261.79999:0 267:1322 267.89999:314 268.89999:99 270.89999:126 284.70001:0 289.79999:150 291.89999:43 295:26 299.79999:147 300.79999:147 301.60001:26 305.10001:92 311.79999:230 326.70001:176 334.79999:31 335.79999:163 337.79999:56 345.89999:40 349.89999:52 350.79999:372 351.60001:231 351.60001:152 352.89999:123 369.10001:6596 370.10001:2132 371:178 382.79999:182 384:472 385:181 10821.67 8945.333 13494.22 14745.11 13269.22 18770.89 12789.11 13508.33 12679.67 18667.11 19281 15044.33 13956.44 23698.22 15306.56 15146.67 16713.26018 15965.81369 8832.400407 6404.836296 1158 16.557 623300.62 73 pinitol 0.486 10.412 624716 340 FALSE FALSE FALSE FALSE 90.2 0 99.9 83.7 73.7 92.1 96.7 23.56 43664_C-D145 51:409 52:97 53:1238 54:754 56:1075 58:1398 59:13923 60:23673 61:9073 61.9:1 62.8:0 63.9:0 64.9:295 67:2518 70:1120 71:638 72:4343 73:142972 74:13330 75:9312 76:1 76.9:0 77.9:0 79:1024 79.9:124 81:2764 82:921 85.9:723 87:857 87.9:501 88.9:9866 89.9:1 90.8:337 92:0 92.9:550 93.9:261 95:1847 96:1028 98:3332 98.9:670 99.9:2053 101:1782 102:511 103:10451 103.9:708 104.9:483 105.8:11 106.8:267 107.7:0 109:1151 109.9:485 111:328 112:1289 113:408 113.9:1016 114.9:549 115.9:722 116.9:1043 118:0 118.9:0 119.9:0 120.9:476 121.9:51 122.9:777 123.8:324 124.9:682 125.9:636 127:376 128:10481 129:8235 129.89999:1773 130.89999:4267 132:1 132.89999:17394 134:1862 135.8:1 136.89999:819 137.8:0 138.89999:725 140:434 140.89999:1029 142.89999:1330 143.89999:605 145:868 146:1950 147:33963 147.89999:5311 148.89999:2866 149.8:601 150.89999:453 151.89999:331 152.8:466 153.89999:239 154.89999:685 155.89999:474 156.89999:2508 157.89999:639 158.89999:12031 159.89999:2483 160.89999:1218 161.8:256 163:3239 164:605 164.89999:194 165.89999:484 166.89999:183 167.89999:254 169:274 169.89999:176 170.89999:661 171.89999:1252 173:978 174.89999:577 175.89999:108 176.89999:1771 177.7:274 178.89999:249 179.89999:12 180.8:329 181.7:113 182.89999:179 184:220 185.89999:719 186.89999:0 187.7:269 189:951 189.89999:1123 190.89999:15201 191.89999:2710 192.89999:1415 193.8:314 194.60001:156 196:213 197:314 197.89999:684 199:1054 199.89999:125 200.7:179 201.89999:1937 202.89999:1109 203.89999:7586 204.89999:3054 205.8:915 206.89999:8330 208:4821 208.89999:1178 209.8:273 211.89999:1035 213.10001:267 213.89999:160 214.8:540 215.89999:205 217:25498 217.89999:5352 219:2906 219.89999:663 220.89999:1398 221.89999:401 222.7:201 223.89999:111 224.89999:82 225.7:117 228:1577 229:2715 230:2323 231:993 233:6290 233.89999:1515 234.89999:922 235.8:187 236.8:177 237.89999:108 238.5:215 239.7:240 240.8:114 241.8:172 242.8:816 244:292 244.89999:1019 246.10001:475 246.89999:8951 247.89999:2099 248.8:972 249.89999:296 251:195 252.8:37 253.89999:42 254.8:376 255.89999:1165 257:184 258.70001:135 260:22673 260.89999:5398 261.89999:2389 262.89999:444 263.79999:114 264.89999:2781 265.89999:537 266.79999:478 267.79999:72 269:495 269.89999:474 271:313 271.79999:203 276.79999:204 277.79999:72 279.89999:144 280.79999:53 282.89999:318 284.79999:129 285.79999:109 288.79999:162 290.89999:1380 291.79999:427 292.89999:1016 294:282 294.79999:164 297.79999:290 298.70001:171 299.79999:17 303.79999:172 305:9932 305.89999:2870 306.89999:410 307.70001:311 309:334 311.89999:0 313.79999:0 318:13977 318.89999:4528 319.79999:2091 320.89999:508 321.60001:212 322.79999:122 328.79999:106 329.79999:112 330.79999:536 331.89999:230 333.70001:168 334.89999:964 336:293 337:114 342.89999:3657 344:1327 344.89999:1063 345.70001:202 346.89999:280 358.79999:584 359.79999:325 360.70001:360 361.79999:59 366.79999:1257 367.79999:365 369.10001:426 369.10001:426 373.89999:3151 374.79999:1246 375.79999:690 376.70001:106 384.60001:40 393:226 417:306 418.89999:286 429:480 429.89999:481 431.89999:2173 432.89999:2641 433.79999:1253 434.79999:573 435.79999:94 449:2257 449.79999:1018 450.70001:518 451.70001:121 506.70001:195 70292.66 58133.78 35199.78 62016 43796.55 66722 86327.78 84712 105249.9 138024.7 91135.78 54695.89 121966.6 74106.89 93546.78 48317.67 118445.7603 191090.005 70620.56997 441611.0244 672 10.282 364166.94 142 proline 0.931 6.113 366784 ONIBWKKTOPOVIA-BYPYZUCNSA-N 440 FALSE FALSE FALSE FALSE 83.5 0 97.9 73.9 62.6 80.2 95 20.53 38545_T-A13 51:694 52:1514 53:2872 54:802 55:9446 56:13769 57:38214 58:1 59:1 60:1 61:1 61.9:0 62.9:0 63.9:1 65:0 66:3006 66.9:4807 68:2849 69:222 70:4033 71:13937 72:1 73:1 74:0 75:0 76:0 77:113 78:148 79:806 79.9:485 80.9:1825 82:320 83:1933 85:5182 86:0 86.9:0 87.9:1 88.9:1 89.8:0 91:1 92.9:0 95:147 97:3971 97.9:1701 99:1370 100:1 101:1 101.9:1 102.9:1 104:1 104.9:1 105.9:301 112.9:2712 114:0 114.9:755 115.9:1 116.9:0 117.9:0 118.9:1 120.9:0 122.4:113 126:1369 126.9:1175 127.9:556 129:1 130:0 131:0 131.89999:0 132.89999:1 133.89999:0 134.89999:0 136.8:0 138.8:352 142:63703 143:7615 143.89999:2942 144.89999:1 147.89999:1 149:0 149.8:0 151:1 154.10001:382 155.89999:680 157:163 158:0 159:1 159.89999:1 161.8:0 162.8:138 163.89999:0 165:1 165.8:1 167:316 168.7:1 169.89999:3073 171.89999:0 174:1 175:0 176:1 177:1 177.89999:1 179.8:702 181.89999:82 182.8:100 184.8:53 186.8:439 187.89999:0 188.89999:568 189.89999:1222 192.8:1 193.89999:1 194.89999:1 196:70 196.8:114 197.7:163 200.89999:60 201.89999:0 203:1 203.89999:0 207.8:0 208.7:0 209.89999:587 210.8:35 213.8:149 216:3414 216.89999:550 217.89999:751 218.8:0 219.89999:301 220.89999:531 222:137 222.8:253 223.8:178 224.7:32 229.89999:224 230.8:15 231.8:1 237.5:156 238:232 243.7:316 244.8:203 248:0 249:1 250.89999:370 258.89999:33 260.89999:36 261.89999:1 262.70001:53 263.89999:170 266.79999:107 279.79999:27 280.70001:187 281.60001:105 282.70001:86 283.60001:169 289.70001:149 290.70001:151 298.79999:369 299.70001:119 300.70001:86 313.70001:96 340.60001:97 354.89999:13 69162.11 2311.444 969 1038.444 61073 1777.556 1780.444 1085.556 2339.556 60708.22 58141.55 70469.55 78462.11 64938.89 191.8889 834.8889 89605.16407 92940.00393 98363.17923 126617.2012 195 7.032 215093.88 146.9952 "propane-1,3-diol" 0.444 3.573 214380 YPFDHNVEDLHUCE-UHFFFAOYSA-N 340 FALSE FALSE FALSE FALSE 94.1 0 99.1 90.8 82.8 98.1 100 77.12 85035_T-D145 51:894 52:1851 52.9:867 53.9:265 55:340 56:1657 57:3828 58:13226 59:59547 60:6023 61:11099 61.9:766 63:231 66:82901 67.8:269 70:1153 71:4617 72:6725 73:128697 74:11598 75:26886 75.9:1799 77:1229 79:476 81:30270 82.9:50 83.9:29 85:12673 86:1176 86.9:8432 88:2467 92:104 93.9:385 94.9:4410 95.9:676 96.9:341 99:6138 100:837 101:18494 101.9:1514 103:31869 104:1322 105:3059 105.9:288 106.9:266 110.9:148 112.1:20 115:162949 116:18338 117:27601 117.9:2942 118.9:4807 119.9:591 120.8:167 126.9:233 130:158948 131:37668 132:9227 132.89999:33152 133.89999:3866 134.89999:2157 136.8:89 141.7:26 143.89999:151 144.89999:354 147:469426 148:71709 148.89999:38625 150:3953 150.8:1040 151.89999:57 152.8:5 155:38 156.89999:83 158.7:133 158.7:146 159.89999:15 160.8:194 161.7:131 163:5537 163.89999:884 164.8:405 171.7:62 173.89999:99 176.89999:49079 177.89999:8468 178.89999:4226 179.89999:483 186.7:7 187.89999:24 188.89999:1093 190.89999:889 200.89999:37 201.8:64 205:18437 206:3378 206.89999:1502 207.7:202 208.89999:113 237.8:63 271.89999:60 282.70001:35 294.70001:19 355.60001:38 2361494 644484 582050.4 611772.9 421657.2 687326.7 604840.9 616996.3 683589.4 721822.6 769870 319744.7 1399533 18849.31094 670274.1 562817.3 743808.169 841715.5 1156611.231 1493558.469 1584 21.404 817891.75 73 pseudo-uridine 1 13.598 815904 PTJWIQPHWPFNBW-GBNDHIKLSA-N 340 FALSE FALSE FALSE FALSE 85.2 null 89.6 82.3 77.6 80.3 100 58.36 38358_T-D145 51:191 51.9:79 52.9:694 54:1096 58:1651 59:8097 60:711 60.9:671 61.8:66 62.7:213 64:140 64.9:416 65.9:569 67:857 68:529 69:2431 70:502 72.1:7214 73:366920 74:24537 75:13930 76:953 76.9:564 77.9:390 80:163 81.9:448 83:809 85:611 86:1068 88:496 88.9:2576 89.8:351 91:72 91.8:250 93.8:5 97:1341 97.9:926 99:2147 99.9:10302 101:4897 101.8:1523 103:26391 103.9:2829 104.9:1316 105.9:984 106.9:200 107.7:91 110:57 110.9:399 111.8:293 113:2095 113.9:643 114.9:1473 115.9:1075 116.9:5156 118:67 118.9:1265 119.9:199 121:390 122:100 124:311 124.9:1221 125.8:843 127:6669 128.10001:917 128.89999:5765 129.89999:717 130.89999:7204 131.89999:1732 132.89999:15632 133.8:1966 134.89999:1477 135.89999:369 136.8:274 137.8:226 138.89999:241 139.89999:1622 141:1148 141.89999:2230 142.89999:6323 144:1357 144.89999:1520 147:64539 147.89999:10593 148.89999:7208 149.89999:1219 150.89999:631 151.89999:482 152.89999:471 153.89999:1249 154.89999:707 155.89999:660 156.8:1816 157.89999:1855 158.89999:612 159.8:603 160.89999:444 161.89999:187 162.7:468 163.8:350 164.8:471 165.89999:1576 166.89999:599 167.89999:872 168.8:666 169.89999:500 170.8:378 171.89999:392 172.8:568 173.89999:3575 174.89999:1221 175.7:599 175.7:599 176.89999:1466 177.89999:481 178.8:792 179.89999:676 180.8:734 182:1450 182.8:376 183.8:658 184.89999:408 185.8:174 186.89999:289 187.89999:206 188.89999:5131 189.89999:1232 191:4569 191.89999:1253 192.8:1716 193.89999:336 194.8:1074 195.7:566 196.89999:741 198:432 198.8:503 199.8:85 200.89999:445 201.89999:905 203.10001:1306 203.89999:2084 204.89999:998 205.8:338 206.89999:1318 207.89999:582 208.89999:620 209.8:349 210.89999:889 211.89999:590 213:151 214.89999:11603 217:297025 218:60488 218.89999:26356 220:3798 220.89999:2157 221.8:778 222.89999:630 223.89999:301 224.89999:692 225.89999:321 226.7:129 227.8:249 229:1683 229.89999:12880 230.89999:3498 231.89999:1374 232.8:305 234.7:127 236.89999:169 237.7:332 238.8:1659 239.89999:1033 241:1419 242:371 242.89999:138 244:15 245:199 245.89999:120 246.7:173 247.7:231 248.7:94 250.89999:792 251.7:447 252.89999:2679 253.89999:1378 254.89999:2444 255.89999:1386 257:520 257.89999:118 258.70001:160 259.79999:25 260.79999:124 261.79999:43 262.89999:176 264:241 264.89999:1179 265.79999:453 266.89999:4589 267.79999:1537 268.89999:16187 269.89999:4055 270.89999:1640 271.79999:387 272.79999:53 273.89999:72 278.89999:1061 280.89999:3570 281.89999:1026 282.89999:4998 283.89999:1286 284.89999:1242 285.79999:271 286.79999:233 290.79999:632 291.89999:270 292.89999:492 293.70001:360 294.79999:814 296:925 296.79999:856 298.89999:539 299.89999:415 300.79999:35 302.89999:92 304.89999:512 305.89999:272 306.79999:1045 307.79999:339 308.79999:502 309.89999:254 310.89999:1143 311.70001:436 312.70001:257 314.79999:171 316.79999:76 318.89999:428 319.79999:483 321:411 321.89999:408 323.10001:438 323.79999:119 324.89999:256 326.89999:1183 327.79999:476 328.79999:526 332.70001:22 334.89999:1607 335.70001:487 336.79999:584 337.70001:152 338.79999:605 339.89999:174 341:703 341.79999:735 342.79999:841 343.79999:316 344.89999:47 349.70001:59 354.89999:8554 356:2575 356.89999:47961 357.89999:15171 358.89999:7637 359.79999:1884 360.79999:337 361.89999:108 363.60001:152 366.70001:407 368.79999:2487 370:5029 370.89999:7972 371.89999:3341 372.89999:1494 373.70001:579 376.10001:73 376.70001:87 379.79999:71 380.70001:353 381.89999:136 383:7743 383.89999:2815 385:1554 385.89999:3097 386.89999:1736 387.79999:674 388.89999:153 392.70001:58 394.89999:863 395.89999:605 397:538 397.89999:277 398.89999:399 400:954 400.70001:408 401.89999:153 409:1274 410.89999:5650 411.89999:2091 412.89999:1198 413.79999:296 422.89999:383 423.89999:20764 424.89999:9046 425.89999:4281 427:1874 427.79999:501 428.79999:430 429.79999:165 442.89999:1985 443.79999:884 445:839 445.89999:303 446.79999:115 455.79999:29 457:779 457.89999:429 458.70001:337 460:132 468.79999:99 470.89999:826 472.10001:526 472.79999:1223 474:369 474.89999:318 485:198 485.79999:222 495.79999:3266 496.89999:1740 497.79999:810 498.89999:1921 500:803 500.89999:2017 501.79999:741 502.89999:566 504:62 514:2270 515:1203 516:703 516:703 516.90002:287 589:7181 590:3664 590.90002:2253 591.90002:786 592.79999:269 307860 280621.2 233767.3 426231.3 286328.4 198409.1 383547.1 315383.9 266410 392122.8 399082.9 312328.9 426136.2 371434.4 235379.7 245884.8 466719.8877 456468.8364 162928.914 213179.6647 1623 22.19 849552.81 179.9235 p-tolyl glucuronide 0.931 14.126 847531 JPAUCQAJHLSMQW-XPORZQOISA-N 440 FALSE FALSE FALSE FALSE 85.9 null 92.8 81.3 76.8 88.2 80.9 18.64 38358_T-D145 51:414 53:553 58.9:591 61:88 61.8:108 63.7:23 64.9:650 67.9:536 72:846 73:51579 74:2205 74.9:2770 75.9:163 77:613 77.9:318 79:6 79.9:137 85:449 89.1:535 89.9:106 90.9:370 91.8:351 94:207 94.9:333 97:164 99:947 100.9:590 101.9:242 102.9:987 103.8:114 104.9:1323 106.9:690 108:396 108.9:270 109.9:396 110.9:377 111.9:24 113:63 114.9:714 117.8:618 118.8:263 119.9:92 120.8:76 126.9:469 129:1173 130.89999:732 132.89999:2823 133.89999:251 135:544 139.89999:77 141:342 142.89999:2605 144.89999:492 147:13284 147.89999:1974 148.89999:2007 150.89999:409 153.89999:203 155:274 155.89999:57 156.89999:217 162.89999:376 164.89999:3352 165.89999:708 167:530 167:572 167.89999:68 168.89999:4923 169.8:887 171:377 175.8:0 176.8:83 178.8:194 179.89999:13719 181:2195 181.8:275 182.89999:232 184.8:426 187:12 187.89999:53 188.89999:717 189.60001:25 190.89999:951 191.7:50 192.89999:357 194.8:236 195.89999:93 197:179 197.8:85 200.89999:714 203.89999:995 204.8:325 206:335 206.8:532 208.89999:318 209.8:130 212.89999:299 214.8:287 216.89999:6388 217.89999:1197 218.89999:965 219.8:283 220.89999:4 221.8:548 222.89999:194 224.7:175 228.89999:645 229.89999:316 230.89999:766 231.8:257 232.8:323 233.7:77 234.89999:424 236.89999:100 237.89999:177 239:96 239.8:136 241.8:168 242.8:497 244.89999:492 245.89999:250 252.60001:200 254.89999:266 256.89999:3758 257.79999:1002 258.89999:186 263.70001:114 264.89999:115 265.70001:68 266.70001:111 268:20 269.79999:173 270.60001:117 274.79999:145 275.79999:90 277:204 278.79999:140 281.79999:40 282.89999:390 283.79999:15 284.89999:556 285.60001:311 286.89999:332 290.89999:128 292.79999:140 297.79999:29 298.89999:171 299.89999:313 302.89999:399 304.89999:1247 306:123 306.89999:117 307.89999:160 309:176 310.89999:175 314.79999:134 317:407 317.89999:121 319.10001:710 320:338 320.89999:218 323.89999:72 330.89999:488 331.89999:19 332.89999:1435 333.89999:424 334.79999:404 335.79999:222 344.89999:302 345.89999:175 346.79999:697 347.79999:183 348.79999:318 350:74 356.79999:180 357.70001:97 358.39999:182 359:76 360.89999:161 362.79999:170 367.89999:238 371.79999:52 372.60001:80 374.89999:9430 375.89999:3311 376.79999:1982 377.89999:463 378.89999:143 406.79999:91 428.70001:114 448.70001:82 464.79999:118 466.70001:267 467.60001:170 5320.444 13117.33 5050.111 2008.778 4089.222 1281.444 3732.667 4030.778 1505 1403.778 4985.889 6347.889 3695.667 1527.111 2140.556 4755.778 2011.86549 3377.892173 2298.133027 3998.038956 1035 14.708 550124.12 450.8154 pyrophosphate 0.986 9.117 547021 XPPKVPWEQAFLFU-UHFFFAOYSA-N 440 FALSE FALSE FALSE FALSE 82.6 0 76.9 86.4 83.1 89.1 91 609.75 42788_T-D145 51:101 53:123 53.9:282 57:1371 58:1940 59:6928 60:641 61:1410 61.9:118 62.8:273 65:32 66:52 70:1623 71:1035 72:15101 73:326902 74:27696 75:13951 76:633 77:3477 77.9:190 79:871 79.9:137 80.9:45 83.9:1146 84.9:333 86.9:613 87.9:263 89:1471 90.1:621 90.9:376 91.8:240 92.9:314 95:240 95.9:19 97.9:12 98.9:235 100:4197 101:488 101.9:993 103:14451 103.9:1620 104.9:1890 105.9:306 106.8:1209 107.8:155 108.9:240 113:668 114:197 114.9:2618 115.9:11 117:1655 117.9:290 118.9:2815 119.9:646 120.9:3250 121.9:354 123:685 126.9:99 128:68 128.89999:286 129.89999:600 130.89999:3740 132:644 132.89999:19667 133.89999:2534 134.89999:11232 135.89999:1560 136.8:3172 137.8:256 138.89999:243 142.89999:33 144:54 145:610 145.8:228 147:16548 147.89999:2665 148.89999:1850 149.8:373 150.8:1925 151.8:410 152.89999:375 153.8:60 154.89999:153 155.89999:35 156.8:7 160:1196 160.89999:367 161.89999:197 162.8:772 163.8:254 164.8:1553 165.8:312 166.8:1170 167.8:154 168.8:168 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415.70001:3 416.89999:81 418.89999:1 420.89999:9426 421.89999:3901 423:6343 424.10001:1934 424.70001:1226 425.89999:249 434.89999:158 435.79999:392 437.89999:173 443.5:44 444.89999:1757 445.79999:619 446.89999:381 448.70001:59 466.70001:579 467.89999:188 469.70001:46 510.89999:7313 512:3275 512.90002:2026 513.79999:707 514.79999:140 281635.3 231618.1 125576.8 223870.2 282541.7 49307.22 203652.1 217803.2 237550.7 261294.8 344785.8 206976.3 75550.89 222918 144182.6 134537.1 368226.1822 355792.7917 212271.0108 325220.8977 1375 18.479 700125.31 291.9111 saccharic acid 0.861 11.654 699211 DSLZVSRJTYRBFB-LLEIAEIESA-N 340 FALSE FALSE FALSE FALSE 82.9 0 97.3 73.3 68.7 79.3 75.3 27.41 38358_T-D145 56:202 58.9:1 60:158 61:136 72:207 73:5952 74:165 75:1361 75.9:120 84:532 86:302 86.9:256 88:18 89:1 89.9:23 99:304 99.9:0 101:159 101.9:272 102.9:1816 103.9:62 113:202 114:140 114.9:113 115.9:562 116.9:844 117.9:56 127:153 128:101 128.89999:876 129.89999:514 131:650 131.89999:611 132.89999:749 133.89999:100 136.89999:109 141:39 141.89999:50 142.89999:620 143.8:47 144.89999:243 146:551 147:4376 147.89999:816 148.89999:571 155:2 155.89999:16 156.89999:186 157.89999:67 158.89999:325 159.89999:66 168.89999:140 173.89999:1327 174.8:318 176.89999:67 182.89999:48 185.89999:67 187:81 188:0 189:610 189.8:358 190.89999:126 191.8:47 197.8:5 199.89999:67 201.89999:23 202.89999:30 203.89999:1619 205:1967 206:559 206.89999:92 211.7:51 214.8:219 216.89999:745 218:2156 218.89999:788 219.8:386 220.89999:464 221.89999:94 224.7:40 227:11 228.89999:355 229.89999:163 230.89999:140 231.8:154 233.89999:33 237.8:26 241:71 241.7:87 242.89999:113 244.8:148 245.8:89 246.89999:23 247.8:117 251.8:137 256.79999:174 258.89999:143 271:436 272:59 272.89999:83 276.79999:383 277.89999:158 284.89999:115 288.60001:71 290:85 291:215 292:1726 299.70001:34 301.39999:5 301.89999:135 303.79999:49 304.89999:764 305.89999:226 306.79999:247 307.70001:37 313.89999:28 314.89999:30 315.89999:41 316.5:39 318.89999:1401 319.89999:455 320.79999:259 332.79999:2155 333.89999:942 334.79999:366 342.70001:124 344.89999:137 345.89999:185 346.89999:67 356.60001:26 357.89999:57 358.89999:397 360.89999:31 365.89999:303 372.60001:38 374:1 374.89999:210 375.89999:29 376.60001:101 392.60001:289 393.79999:84 423:281 432.79999:192 434.60001:246 446.70001:124 464:17 464.60001:59 2891.889 2221.333 1563.889 2006.889 1844.333 1538.667 1953.222 2223.556 2108 2696.222 2640.667 1770.111 2704.889 2127 2041.333 1855.111 9564.716283 8829.725442 8393.859424 9899.983829 888 12.946 478821.84 266.9 salicylic acid 0.694 8.012 480699 YGSDEFSMJLZEOE-UHFFFAOYSA-N 340 FALSE FALSE FALSE FALSE 83 0 84.8 81.8 71.5 92.1 92.1 53.4 42786_T-A13 50.9:955 52:690 53:639 54:577 56:0 57:1062 58:448 59:3145 59.9:1 61:1060 61.9:310 62.9:1373 63.9:1305 65:1854 65.9:560 67:304 67.9:87 69:480 72:1418 73:123638 74:10804 75:8386 76:1512 77:2333 77.9:589 79:695 79.8:13 81:817 82:415 84.9:0 85.9:802 87.8:32 88.9:1734 89.9:1383 91:10309 91.9:2357 92.9:395 93.9:32 94.9:570 97:595 98:405 99:770 101.9:142 102.9:1100 103.9:334 104.9:2555 105.8:394 106.9:441 107.8:467 108.9:549 109.8:1 111:348 112.9:245 113.9:0 114.9:1037 115.9:1 118.8:1046 119.8:758 120.9:1731 121.8:432 122.7:408 123.9:7 125.8:2049 127:683 127.9:1 128.89999:1490 132.89999:5667 133.8:181 134.89999:19166 135.89999:1883 136.8:1853 137.8:374 139:77 140.89999:96 142:99 144.8:327 145.89999:10 146.89999:7154 148:1089 148.89999:8779 149.89999:1450 150.89999:3233 151.89999:428 152.8:374 155.89999:905 157.89999:1 158.89999:1090 159.8:473 160.8:315 162.8:712 163.8:245 164.89999:952 165.8:363 166.8:323 167.89999:19 170.89999:204 171.89999:411 172.89999:511 174:4801 174.89999:3054 175.89999:963 176.89999:1447 178.89999:3421 179.89999:440 180.8:2058 181.89999:506 182.89999:259 184.89999:50 185.89999:1 188.8:466 189.8:537 190.8:2002 191.8:715 192.89999:7793 193.89999:2437 194.89999:1240 195.89999:274 197:70 197.89999:24 198.89999:369 202.8:41 203.8:0 204.8:190 205.89999:1853 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3776.222 9096.476661 12642.1307 7192.308641 19939.54408 1744 25.156 968331.56 184.959 sebacic acid 0.958 16.145 968699 340 FALSE FALSE FALSE FALSE 84.2 null 100 73.7 62.2 88.4 78.6 27.35 38467_T-A13 52.9:445 54:207 55:7439 56:1999 59.9:280 60.9:45 62.8:137 63.8:51 67:26 67.9:705 69:3030 70:17441 72:1047 73:1 74:1051 76.9:114 79:225 80:392 81:376 82:874 83:4183 84:4108 86.9:573 87.9:424 88.9:67 89.7:59 92:50 92.9:519 97:393 98:6049 100.9:665 103:1 103.8:145 111:0 112:12623 113:3724 114.9:515 120.9:700 122:101 123.9:286 124.9:895 127.9:357 128.89999:197 129.89999:104 130.89999:1 132:63 132.89999:0 136.89999:540 137.89999:856 138.89999:2149 142.89999:2319 143.8:178 146.89999:1 147.8:107 148.89999:181 149.89999:112 152.10001:135 152.89999:46 155.7:54 156.89999:485 157.89999:1228 158.89999:399 160.10001:39 162.8:52 164.8:137 166:1964 166.8:469 167.89999:10 170.89999:33 172.89999:356 173.89999:24 174.89999:90 177.8:90 178.8:110 180:53 184.89999:37789 185.89999:4099 186.8:184 188.8:19 189.8:111 190.89999:48 192.8:4 194.89999:91 198.8:28 201.8:164 202.89999:1372 204:94 204.89999:144 205.89999:59 206.8:426 211.8:35 212.89999:122 213.89999:1 216.89999:1 217.89999:83 219.8:1 226.10001:100 227.8:94 229.7:0 232.89999:190 235:1 241.8:44 244:51 245.39999:0 246.10001:1 247.60001:39 249.89999:75 250.89999:109 255:28 255.8:2 256.89999:62 257.89999:310 258.89999:1 261:1 261.89999:59 268:357 270:201 270.79999:50 272.89999:56 273.89999:106 275:42 276.89999:64 277.89999:82 278.5:100 281.89999:100 282.79999:199 285.70001:52 286.79999:8 288.70001:83 289.60001:0 290.79999:108 291.79999:95 293:50 294.79999:31 295.79999:52 296.89999:1392 298:478 298.89999:104 301.70001:84 303.70001:42 305.10001:66 306.79999:48 310.10001:29 312.89999:34 314.89999:896 315.89999:81 318.89999:53 319.89999:1 320.79999:17 324.70001:16 326.70001:160 327.89999:28 333.60001:1 333.60001:42 337.79999:2 338.79999:21 339.89999:17 340.79999:258 341.79999:68 343:189 354.89999:202 355.70001:41 358.70001:34 359.79999:111 360.70001:0 363.70001:0 364.60001:70 367.10001:48 370.79999:72 374.89999:46 383.89999:97 385.70001:56 387.79999:136 400.70001:133 400.70001:210 401.60001:60 408.89999:71 414.79999:147 425.20001:68 429.89999:118 437:9 442.89999:53 460.70001:35 465.70001:174 466.60001:37 467.89999:72 474.60001:66 478.79999:117 488.89999:119 490.70001:38 530.90002:806 532.09998:353 533.29999:332 534.90002:168 545.79999:240 6591.222 4988.111 6624.667 6096.111 43655.11 9268.111 11442.56 18362.45 11320.22 6039.111 18212.55 8949.444 5656.333 6840.222 5184.222 6360.444 9883.368383 9928.052347 6357.361032 5667.174914 737 11.014 397549.5 270.9267 serine 0.931 6.584 395020 MTCFGRXMJLQNBG-REOHCLBHSA-N 440 FALSE FALSE FALSE FALSE 74 0 63.6 80.9 74.9 86.9 87 18.38 42945_T-A13 51:313 52:967 54.1:308 55:0 56:580 57:1 58.9:0 59.9:709 65.9:302 69:1 70:0 71:472 71.9:0 73:44272 74:4011 79:628 85:1705 86:777 86.9:1 87.9:338 88.8:741 89.8:0 90.7:48 92.9:190 94.9:24 95.9:68 97:0 98:1869 99:874 99.9:9841 101:1749 101.9:870 102.9:5987 103.9:570 106.9:34 107.6:72 109:1 110.9:0 113:245 113.9:1476 114.9:1 115.9:1785 118.9:604 119.8:193 124.9:420 125.8:462 126.9:98 129.89999:618 133:5080 133.89999:608 134.8:449 137.7:140 140.89999:207 141.89999:138 142.8:268 144:284 145:1 146:1217 146.89999:18718 147.89999:2883 148.89999:1410 149.8:340 151:112 151.8:111 153.89999:138 154.89999:275 157.8:740 158.89999:1557 161:303 161.8:1 162.89999:302 163.8:133 168:231 168.8:299 169.89999:111 171.8:401 172.7:320 174:472 176.7:211 179.10001:89 180.89999:227 181.89999:193 182.89999:787 183.7:428 187.89999:9168 188.89999:2283 189.89999:1061 190.8:604 191.60001:169 192.89999:172 195.7:100 197:483 197.60001:314 201.89999:206 202.7:777 204:36780 205:6531 205.89999:3002 206.89999:1575 207.7:256 210.89999:12 211.7:194 212.8:108 217:368 217.89999:21417 218.89999:5411 219.89999:1984 220.89999:3550 221.89999:757 223:651 231:0 231.8:232 249.7:44 250.89999:141 257.70001:76 261.79999:697 262.89999:420 263.79999:334 264.89999:16 270.89999:5370 271.79999:1403 272.89999:394 273.70001:58 274.70001:73 277.89999:4722 278.79999:1569 279.79999:916 286:363 289.89999:170 290.70001:135 293:1494 293.89999:186 294.89999:193 298.79999:69 305.89999:1503 313.60001:69 372.60001:54 4516.778 3769.111 3382.111 325.2222 3046.889 3670 2994 3103.889 69.66666 4132.111 4709.889 3457.111 4459 4326.444 3528.667 3053.889 4172.561404 4176.50983 1512.70961 1369.566558 597 9.731 340468.38 73.01363 serine 0.639 5.648 338880 MTCFGRXMJLQNBG-REOHCLBHSA-N 340 FALSE FALSE FALSE FALSE 90.2 0 96 86.4 78.8 92.4 97 77.61 84706_C-A22 50.1:2622 51:631 52:2594 53:4068 53.9:3503 55:29610 56:13552 57:372268 58:10706 59:8044 60:23501 61:76877 62:7227 62.9:3114 66.5:48382 69:9529 70:28606 71:17130 72.1:19601 73:381054 74:111868 75:491572 76:37988 77:16104 78:795 80.5:164673 84:6338 85:13678 86:3885 87:29070 88:53818 89:32547 89.9:8601 91:20108 91.9:803 93:777 95.4:11738 96.8:970 98:4587 98.9:6088 100:86878 101:39007 102:47530 103:280132 104:29614 105:9522 105.9:752 106.9:451 109.4:621 111:631 111.9:756 112.9:2213 113.9:4334 115:4875 116:1354932 117:182481 118:30799 118.9:12306 119.9:1886 120.9:716 123.7:61 124.9:415 125.9:1896 127:2633 127.9:3571 128.89999:5464 129.89999:86038 131:61791 132:1263563 133:203742 134:17511 134.89999:6360 136.8:265 138.8:198 139.89999:275 141.89999:129 143:3948 143.89999:196022 145:23335 146:147544 147:263821 148:48936 148.89999:33838 149.89999:4341 150.89999:1606 153:0 158.89999:60958 160:3194 160.89999:3013 161.89999:215 163:1724 163.8:348 164.8:698 166:174 171.89999:1800 172.8:2420 188:17324 189:9761 189.89999:3004 190.89999:1547 191.89999:822 198.7:0 199.8:625 201.7:331 202.89999:1966 204:3410 205.89999:12212 206.89999:2591 207.89999:1020 208.89999:248 215.89999:8012 216.89999:8020 218:6050 219:82592 220:9154 221:2251 221.89999:1018 222.8:322 230:148 230.8:906 231.8:722 233.89999:72400 234.89999:14089 236:6551 236.89999:388 237.8:235 246.89999:687 248:247 248.8:1143 249.89999:412 250.89999:167 258.79999:2317 261.89999:578 266.89999:196 270.70001:104 277.79999:175 280.89999:236 281.79999:104 285.79999:186 306.79999:233 318.89999:2266 319.79999:291 320.70001:453 322.29999:150 333.79999:98 358.70001:56 361.89999:73 414.79999:101 1974968 3220997 2384885 2913627 154065.8 2126396 1306348 670278.4 3558599 475047.4 760655.4 708568.1 528812.3 380041.7 12734 2512929 2151252.864 2309046.399 1163157.56 1189030.396 1738 25.021 962937.88 203.9333 sophorose 0.819 16.034 962064 HIWPGCMGAMJNRG-BTLHAWITSA-N 340 FALSE FALSE FALSE FALSE 89.9 null 99.3 83.7 81.3 89.7 78.8 12.83 84706_C-D145 58:350 63.9:36 66:219 73:16037 74:1109 75:868 75.8:119 77.9:31 82:334 87.9:1 89:565 90:80 100.9:70 102.9:4809 103.9:482 105:156 116.9:1491 118.1:244 119.8:22 125.9:57 129:1405 130:331 130.89999:300 132:16 132.89999:824 133.8:16 139.89999:197 141.89999:110 142.89999:258 143.89999:39 145:250 147:4780 147.89999:736 148.8:430 153:7 154.89999:99 156.89999:518 157.89999:211 159:23 159.89999:203 160.7:163 163:38 164.7:150 165.89999:169 167.89999:19 169:665 169.89999:32 170.89999:98 172:29 172.8:776 173.89999:716 174.89999:191 175.7:126 176.8:103 179.8:2 180.89999:49 183.89999:49 185.8:161 186.8:246 188.8:725 189.8:159 190.89999:1198 191.89999:82 192.89999:287 194.60001:72 195.89999:8 197.2:26 201:19 201.8:53 202.89999:201 204:2645 204.89999:2944 205.8:745 206.89999:104 209.89999:7 210.8:6 213.7:51 214.8:91 215.8:45 217:3583 217.8:945 218.89999:396 220.8:152 221.7:13 222.7:85 226.7:77 228.89999:272 229.8:144 230.7:338 232:118 232.89999:242 233.8:4 241:12 242.2:156 242.89999:491 243.89999:618 244.8:284 245.8:363 247:213 250.60001:86 255.7:35 256.89999:82 257.79999:112 259:178 259:174 259.79999:148 260.89999:76 262.70001:7 264.79999:42 270.89999:638 271.79999:234 272.70001:78 273.70001:276 275:118 276.89999:30 277.79999:23 278.70001:51 281.79999:51 282.89999:12 284.70001:28 285.60001:161 288.70001:61 289.79999:64 290.89999:222 291.79999:136 295:41 298.79999:63 299.89999:158 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53:10520 54:12636 55:15289 56:1641 57:5365 58:27945 59:123581 60:12226 61:18788 62:972 63.8:130 65:2299 66:5717 67:5825 68:1507 69:15360 70:7108 71:10353 73.1:3274895 74:413682 75:354969 76:17236 77:7570 78:550 79:1515 80:658 81:7527 83:11088 85:13354 86:3770 87:5100 88:21863 89:134052 90:12888 91:6716 92.1:410 94:294 95:827 96:0 97:6740 98:1304 99:15788 101:114762 103:1625749 104:156279 105:62944 106:3002 107:731 109:784 110.9:7424 112.1:770 113:30515 114:4087 115:15979 116:35248 117:760913 118:63143 119:59300 120:4897 120.9:1822 121.9:214 123:186 123.9:64 125:2215 126:819 127:14087 129:325502 130:39043 130.89999:163706 132:10495 133:416313 133.89999:58003 134.89999:34875 136:3144 136.89999:1250 138.89999:1305 139.89999:716 140.89999:10415 142:9187 143:55699 144:7353 145:24802 147:2477652 148:404527 149:248551 150:27132 150.89999:5003 151.89999:794 152.89999:3314 155:9298 156.89999:240421 157.89999:30582 158.89999:30179 159.89999:1227 161:27206 162:4865 163:42564 164:4746 165:4027 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164.8:293 169.89999:208 172:145 172.8:462 174:1736 174.89999:1151 175.89999:645 176.60001:323 179:4443 179.89999:272 181.8:86 183.89999:458 184.7:82 186:2571 187:530 188.8:127 192.89999:92 194.89999:293 199.8:315 201:247 201.8:127 202.8:446 203.89999:207 206.8:307 207.8:176 217.89999:47 218.89999:504 219.89999:301 220.7:198 221.89999:119 222.8:163 231.8:869 232.89999:0 233.8:110 244.8:777 247:257 248.8:1555 249.7:507 250.8:255 259:220 259.89999:13091 261.89999:302 263.79999:301 265.79999:89 274.70001:154 275.89999:163 298.79999:79 305.79999:203 326.70001:51 354.79999:112 403.79999:166 432.79999:43 72841.34 56389.33 1571.778 97640.11 75314.55 56555 126947.6 97205.89 98502.45 73969.55 72189.34 57045.55 1541.333 67551.66 61792 42782.89 224835.6996 204403.1246 207756.3847 248689.2377 879 12.844 474510.66 72.1 tris(ethylenglycol) 0.319 7.869 472152 ZIBGPFATKBEMQZ-UHFFFAOYSA-N 440 FALSE FALSE FALSE FALSE 72.3 0 75.1 70.5 59.9 77 89.3 18.74 43504_C-D145 51:116 52:619 53:2350 54:446 55:134 56:1868 58:609 59:321 60:139 61:1394 62:465 63:94 63.8:0 68:536 72:16974 73:3113 74:57049 75:18188 76:1767 77:1732 79.9:101 80.9:208 82:606 83:2950 84:53244 86:663 87:3797 89:14602 90:152 90.8:192 92:152 92.9:461 93.8:182 94.9:100 95.9:262 97.1:184 100:3303 101:31 102:928 103:157009 104:15187 105:7352 109:123 110:394 110.9:1911 111.9:614 113.9:419 114.9:1866 116:42380 116.9:93741 118.9:7809 119.8:827 121.9:6 123.8:128 125:144 128:208 129:3771 129.89999:1843 130.89999:2901 132:1424 132.89999:2456 133.89999:1282 134.89999:4570 135.89999:401 139.89999:1193 140.89999:926 141.89999:1123 142.89999:3567 143.89999:952 144.89999:306 146.89999:9232 147.89999:32706 149:19897 149.89999:223 156:2405 157:5738 157.89999:5910 158.89999:1110 160:396 162:25 162.8:552 163.8:144 164.8:205 166.8:193 167.89999:154 169.89999:171 170.89999:541 171.8:333 173.89999:430 174.89999:822 175.8:28 177:792 177.7:489 178.89999:439 179.60001:68 180.8:1 183.89999:3418 184.89999:128 185.89999:5326 186.89999:609 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326.79999:123 340.70001:459 355.79999:129 374.89999:41 384:168 394.89999:70 395.89999:144 403.79999:546 16426.22 15295.89 510.4445 22882.22 4909.111 12284.11 21964.78 16673.89 14983.78 17427.78 18782.33 20977.67 18929.78 15968.78 12376.78 12620.44 87596.41499 73382.75068 72654.20939 70482.50577 1524 20.422 778168.69 201.9465 tryptophan 0.722 13.008 780482 QIVBCDIJIAJPQS-VIFPVBQESA-N 440 FALSE FALSE FALSE FALSE 79.1 null 77.9 79.8 78.6 83.5 76.5 907.05 43539_C-D145 99.9:2244 101:4149 102:1533 103:2802 128:2949 140:1561 147:7385 154:1179 175:1417 175.89999:533 190:814 191:1736 195.89999:520 197.89999:1361 199.89999:3321 201.89999:121515 203:24366 203.89999:6642 205:241 210.89999:1083 213.89999:647 215.89999:936 217:1099 218:5429 218.89999:2093 223.89999:188 229.89999:1649 230.89999:72 231.89999:27 232.89999:171 243:1051 252:147 259.79999:181 269.89999:43 275:167 275.79999:441 276.89999:126 277.79999:143 281.89999:0 287.79999:70 288.70001:292 290:2626 291:12347 291.89999:3808 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92.8 100 683.07 43664_C-D145 51:396 52:347 58:2075 59:7899 59.9:630 60.9:1705 61.9:201 62.8:657 63.9:382 65:648 65.8:390 72.1:6833 73:386110 74:27380 75:1380 75.9:578 77:1855 78:1643 79:1401 80:483 85.9:4014 88.9:1228 90:2759 91:6229 92.1:618 100:54144 101:7900 101.9:2997 103:18 104:1085 104.9:2693 106:698 106.9:423 107.9:264 115:281 116:696 116.9:5724 118:2017 118.9:1798 119.9:346 120.9:722 121.9:218 122.9:555 123.8:230 127.9:360 129.89999:3738 130.89999:5695 132:11333 132.89999:10105 133.89999:2507 134.89999:3786 135.89999:674 136.89999:363 140:147 143.89999:905 145:950 145.89999:2917 146.89999:36523 147.89999:8303 148.89999:10317 149.89999:1498 150.89999:2219 151.89999:243 155.89999:150 157.8:577 158.89999:1180 159.89999:3633 160.89999:759 161.8:1036 162.89999:7998 164:3513 164.89999:5537 165.89999:899 166.89999:196 171.89999:593 172.89999:349 173.89999:3363 174.89999:2208 176:2530 176.89999:3581 178.89999:41316 180:9372 180.89999:2599 182:1193 183.8:196 187.89999:911 190:2655 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2363.586176 1664 23.002 882084.69 203.9235 Unknown 0.667 null null null null null null 4 FALSE FALSE FALSE FALSE null null null null null null null 9.35 08504_C-D145 58:601 58.9:485 60.8:17 63:80 73:5116 73.9:999 75:1170 76.9:115 86:96 91.9:51 94.1:19 94.9:467 100:121 100.9:185 103:191 105.9:43 107:268 110.9:105 114.9:236 115.9:366 116.9:78 117.8:34 119.7:25 127.7:28 130.89999:41 132.89999:228 136.10001:86 136.10001:90 139.7:9 142:200 144.8:32 145.89999:119 147:1418 147.8:83 148.89999:92 149.89999:1 154.8:63 155.7:35 157:343 159.89999:110 160.89999:149 161.7:79 163.8:23 167.89999:66 168.8:30 169.89999:167 178.89999:82 180:20 181.7:46 183.89999:66 185.89999:27 187.8:31 188.89999:371 190:199 190.89999:125 191.8:63 192.8:61 195.8:3 196.89999:14 197.8:226 200.89999:115 201.7:27 202.8:151 204:3053 204.89999:635 205.89999:286 206.89999:106 207.8:183 211.89999:209 213.8:87 216.89999:1087 217.8:353 218.89999:54 219.89999:161 220.8:43 223.89999:39 228.89999:54 229.89999:184 230.89999:242 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328.10001:76 341:14 348:61 354.10001:64 354.70001:24 359.79999:41 364.79999:281 365.89999:175 365.89999:173 371:90 371.70001:206 372.70001:135 400.79999:103 406.89999:312 414.89999:94 422.10001:384 422.89999:102 466:56 474.79999:8 3188.889 3076.333 2052 3343.778 5584.222 1759.111 5929.222 10493 3921.667 5941.111 17720.45 5672 8834.111 4397.333 3426.667 3960.333 5883.295346 5469.137272 3684.495311 3358.085354 1689 23.601 906130.06 370.0966 Unknown 1 null null null null null null 4 FALSE FALSE FALSE FALSE null null null null null null null 43.66 08504_C-D145 51:67 56:665 70.1:115 81:392 84:719 88.8:214 99:675 99.9:7 113:690 123.9:31 125.9:184 126.9:467 141:339 143.89999:162 155.10001:360 159.89999:205 160.89999:181 168.8:310 170.89999:138 178:21 178.89999:87 179.8:139 180.8:21 182.89999:166 195.89999:19 196.8:44 207.8:48 211.8:54 231.8:41 234.89999:47 237.8:23 246.89999:421 247.8:178 250.7:81 252.8:0 254.89999:223 261.79999:132 265:4 265.70001:126 266.20001:175 283.89999:133 306.79999:41 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139.89999:780 141:2163 141.89999:830 143:4111 146:280129 147:2484016 148:564628 149:268799 150:26400 151:4379 154.89999:2482 156:4899 156.89999:49066 157.89999:5331 158.89999:12926 161.89999:658 167.89999:87 169.10001:108 171:133380 172:21637 172.89999:134277 173.89999:29322 174.89999:9960 178.89999:3048 179.89999:570 181:78 181.8:26 183.89999:396 184.89999:793 186:2114 189:1720665 190:333759 191:160573 192:18678 192.89999:3711 193.89999:624 195:249 196.7:77 197.89999:3 198.8:46 201.7:47 204:83564 205:9301 206:1445 210.8:341 215:12 227.89999:210 229.89999:83 244.89999:597 245.89999:162 246.7:1 261:542 262.89999:333 267.60001:131 273.79999:7 275.89999:135 276.79999:0 280.89999:0 294.79999:11 326.5:65 330.79999:240 330.79999:291 335.70001:133 340.79999:34 354.70001:14 428.70001:23 6470641 258699.7 243288.9 326920.7 8696.178125 391983.7 538765.3 285145.8 848573.9 6361731 5933204 5857524 5188055 5807975 710342.4 263199.3 4230396.904 2779447.498 2745316.692 2533209.804 1440 19.315 733682.94 197 uric acid 0.75 12.184 731038 LEHOTFFKMJEONL-UHFFFAOYSA-N 440 FALSE FALSE FALSE FALSE 70.6 0 60.6 77.2 88.2 67.5 63.8 15.63 38467_T-A13 50.9:322 51.9:154 56:1120 59.9:246 60.9:285 61.9:67 63.8:109 64.9:156 65.9:1 72:427 77:502 77.9:0 78.9:114 82.9:0 87:472 88.9:874 95.9:15 97:267 99:166 103:1024 104:311 106.9:37 109.9:86 111.9:655 113.9:573 114.9:68 116:119 116.9:374 119.9:282 124.9:292 129:671 130.89999:697 132:879 134.89999:394 137.89999:241 138.89999:282 139.89999:1581 140.89999:419 141.89999:86 144.89999:102 145.89999:197 149.8:118 151.8:325 152.89999:226 154.89999:198 162.89999:5 163.7:33 164.8:8 165.8:70 166.8:630 170:612 170.89999:212 171.89999:1250 172.89999:1739 173.89999:837 174.89999:1109 177.7:84 178.8:466 180.89999:64 182.89999:71 184:427 184.89999:443 188.89999:177 194.89999:420 195.7:387 197:7143 198:499 198.89999:1295 200.89999:631 201.89999:1630 204.89999:2389 206.8:98 207.89999:63 208.8:210 209.89999:214 212.89999:47 213.89999:323 215.8:154 220.89999:175 223.8:346 224.8:252 225.89999:212 230.89999:423 232.8:358 236.89999:143 239.8:332 242.8:1011 244.89999:398 246.89999:543 247.89999:255 249.8:81 250.7:156 251.89999:588 252.89999:50 253.8:286 254.89999:381 255.89999:382 256.89999:237 257.89999:235 259.79999:350 268.79999:404 272.79999:132 273.79999:853 276.89999:22 277.89999:97 278.89999:27 279.70001:7 281.70001:323 282.79999:435 283.89999:314 284.79999:560 285.89999:108 286.89999:144 290.89999:94 293.79999:142 294.79999:548 295.70001:108 297:167 298.89999:367 299.89999:158 300.89999:404 301.89999:317 302.70001:292 303.79999:417 306.89999:785 308:508 308.79999:236 309.89999:388 311.70001:129 312.79999:89 313.89999:273 314.89999:56 315.89999:537 316.89999:118 318.89999:264 320:580 320.89999:600 321.79999:63 322.89999:24 323.79999:149 324.89999:358 325.79999:732 327:821 327.89999:782 329.79999:208 332.79999:1047 334:128 337.70001:15 338.89999:116 340.10001:65 341.79999:120 345:134 350.79999:264 351.60001:77 352.89999:1651 353.89999:735 354.89999:364 357:54 360.70001:63 364.79999:434 365.89999:287 366.89999:2189 367.89999:1628 368.89999:958 369.79999:1064 370.70001:19 371.79999:151 372.70001:145 374.89999:53 375.89999:40 376.89999:83 377.79999:99 378.60001:135 380.89999:168 381.89999:5097 382.89999:3484 384:1529 384.89999:389 387.89999:224 388.79999:239 389.89999:133 390.79999:42 392.79999:167 397.79999:152 399.60001:38 401:217 401.89999:197 403.79999:38 412.70001:43 413.70001:247 415.89999:175 416.89999:667 417.70001:340 418.79999:117 419.70001:108 421.70001:409 424.70001:317 425.79999:327 427.89999:13 428.60001:59 431:164 438.10001:137 438.70001:254 440.89999:33642 441.89999:11481 442.89999:4353 443.89999:1723 445.79999:155 446.79999:133 455.89999:28861 456.89999:8584 457.89999:6249 458.89999:1653 459.89999:42 474.79999:72 507.89999:94 522.90002:71 523.59998:323 524.20001:108 534.5:60 538.79999:264 540.90002:57 429 354.3333 431.2222 236.7778 259.5555 370.4445 485.8889 398.1111 330 468 609.7778 150.1111 329.8889 446 300.8889 193.5556 2264.19298 2396.385643 2106.770214 3076.972494 1635 22.431 859277.06 216.9556 uridine 0.917 14.358 861508 DRTQHJPVMGBUCF-XVFCMESISA-N 440 FALSE FALSE FALSE FALSE 81.2 null 78.1 83.2 75.7 88 96 21.68 08504_C-D145 51:75 51.9:60 53:399 53.9:785 55:1461 56:810 57:789 58:589 59:2996 59.9:284 60.9:800 63.7:80 64.9:231 66:255 67:401 67.9:690 69:920 70:976 71:816 73:62769 74:4998 75:8253 76:560 76.9:218 78:11 80:193 80.9:648 81.9:236 82.9:757 84:752 85:896 86:375 86.8:82 88.1:318 88.9:1059 90.9:179 92:175 92.9:156 94:122 94.9:125 95.9:266 96.9:567 98.2:254 98.9:3025 99.9:607 100.9:1867 102:295 102.9:7921 103.9:727 105:431 105.9:96 108.9:89 110:345 111:370 112:773 112.9:1008 113.9:387 114.9:2105 116:869 116.9:2135 117.9:212 118.9:643 119.9:182 120.9:8 121.8:263 123.8:47 124.9:197 125.8:622 127:411 127.9:172 129:3928 129.89999:814 130.89999:57 131.89999:371 132.89999:3547 133.8:616 134.89999:541 135.7:42 136.8:118 137.7:172 138.89999:156 139.89999:338 140.89999:363 142:399 143:1695 144:379 146:1724 147:11017 147.89999:2282 148.89999:2057 149.7:185 150.89999:324 151.89999:129 153:526 153.89999:500 154.89999:612 156:197 157:714 157.8:280 158.89999:491 160:177 160.8:216 161.8:116 162.8:347 163.89999:143 164.7:42 165.8:31 167:202 168:682 168.89999:8049 169.89999:1324 170.89999:1041 171.89999:146 172.8:231 173.8:239 174.89999:306 175.89999:49 176.89999:235 179:182 180.8:47 183:830 183.89999:51 185:1791 185.8:496 186.89999:176 187.89999:94 188.89999:1328 190.10001:455 190.89999:2450 191.8:414 192.8:39 193.7:40 194.8:37 195.89999:271 197.8:19 199.89999:6 200.8:143 201.8:444 202.8:820 205.89999:48 207:105 208.7:268 208.7:268 210.8:821 211.89999:232 212.89999:2194 213.89999:338 214.8:1410 215.8:277 217:33742 217.89999:8567 218.89999:4038 219.8:520 220.7:446 221.89999:53 222.8:129 224:172 224.7:249 225.89999:590 226.8:459 228.8:515 229.8:1627 230.89999:1608 231.89999:562 232.89999:197 235.89999:50 236.89999:142 238.10001:135 238.89999:245 239.8:105 240.8:687 241.8:251 242.89999:4577 243.89999:1028 244.89999:2282 245.89999:481 246.8:173 248.8:118 250.8:155 254.89999:243 256:129 256.79999:799 258:744 259:7185 259.89999:1791 260.89999:631 262:49 263.79999:74 264.79999:731 265.89999:62 266.89999:632 267.70001:101 268.79999:98 269.79999:88 270.79999:256 272.89999:194 280.10001:270 280.70001:135 281.79999:72 282.70001:223 283.70001:92 284.79999:666 285.79999:312 286.79999:77 288.89999:66 290.70001:78 293.70001:74 296.70001:138 297.60001:242 298.89999:1703 299.79999:586 300.70001:146 302:217 302.79999:45 303.89999:50 305.70001:65 312.39999:185 313:482 313.89999:113 314.89999:1643 315.79999:428 316.79999:510 317.60001:161 318.79999:151 320.79999:217 327:123 327.89999:221 329.29999:87 330.70001:166 332.70001:214 338.70001:160 344.70001:123 346:129 347.89999:584 348.60001:464 349.89999:168 354.89999:282 355.70001:169 356.79999:278 357.89999:138 368.70001:37 369.70001:91 371:84 372.70001:36 374.5:47 386.79999:116 388.89999:38 400.79999:60 416:274 428.70001:50 444.79999:830 446.10001:368 446.70001:110 23568.89 25161.33 15119.44 22172.89 26282.89 16974.89 21246.89 24569.33 30097 3373.111 1271.778 2721.111 1165 20882.67 16525 13269 25390.72797 21606.79098 17782.28023 12133.1375 1634 22.42 858451.69 216.9167 uridine minor 0.75 14.278 856709 DRTQHJPVMGBUCF-XVFCMESISA-N 340 FALSE FALSE FALSE FALSE 83.9 null 96.2 75.7 71.9 83.1 72.3 21.8 43462_C-A13 51.9:10 53.9:64 55:372 58.9:479 60.8:72 67.9:25 69:630 70:307 71:1311 72:720 73:12561 74:719 75:534 77:443 78:116 79:284 81:133 83:565 85:770 86:169 86.9:89 87.8:113 88.8:258 91.8:66 92.9:72 97:316 97.9:129 99:1295 100:337 101:446 101.9:84 102.9:773 103.8:178 105.8:60 107.9:61 110.9:188 112.9:445 113.9:28 114.8:344 116:253 116.9:328 117.9:31 118.9:37 121.7:11 123.7:187 123.7:106 125:129 125.9:122 127:18 128.89999:1123 129.89999:717 131.89999:11 132.89999:477 134.8:273 142.89999:379 143.89999:72 144.89999:89 146.89999:1625 147.89999:367 148.89999:325 149.8:103 153:264 155.89999:257 156.89999:5 158.89999:124 159.89999:0 160.89999:5 162.89999:39 166.7:166 167.8:230 168.89999:1393 169.8:20 170.89999:162 171.89999:10 172.8:71 173.8:185 174.89999:14 177.8:15 181.89999:92 182.89999:279 184.8:303 185.8:252 186.8:170 187.8:186 188.7:1 190.8:173 191.8:48 195.89999:414 197.8:61 198.89999:70 201.89999:56 202.8:184 203.8:180 204.89999:179 206:150 209.7:77 210.8:61 212.8:74 214.89999:282 216.89999:2398 217.8:604 218.89999:326 220.8:31 222.7:105 225.89999:20 226.60001:12 227.89999:108 228.89999:159 230:158 231:42 231.89999:49 232.7:128 239.89999:30 240.89999:776 241.7:87 242.89999:1154 244:193 244.89999:1054 245.7:216 246.8:205 251:58 251:58 253.89999:60 254.8:125 255.89999:115 256.79999:831 257.89999:1040 258.89999:599 259.79999:205 261:222 269:132 269.60001:47 272.89999:418 277.89999:60 278.79999:100 282:17 284.10001:63 285.89999:138 290.89999:114 291.79999:69 298.79999:104 299.79999:37 304.70001:120 306.89999:102 311:21 313:144 313.79999:68 314.79999:652 316:222 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